smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc3nc(-c4cccnc4)[nH]c3c2)C[C@H]1C	ZINC000524730510	1069831067	/nfs/dbraw/zinc/83/10/67/1069831067.db2.gz	LJZTYACDXBOADE-SUMNFNSASA-N	0	1	530.968	5.214	50	30		KKEAMN
COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C=C(Nc2ccc(-c3n[nH]c(-c4ccccn4)n3)cc2)C[C@@H]1C	ZINC000888089819	1071061814	/nfs/dbraw/zinc/06/18/14/1071061814.db2.gz	KFFCUMFKMZGPDW-PEGYKEAPSA-N	0	1	557.994	5.123	50	30		KKEAMN
COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C=C(Nc2ccc(-c3n[nH]c(-c4ccccn4)n3)cc2)C[C@H]1C	ZINC000888089818	1071061947	/nfs/dbraw/zinc/06/19/47/1071061947.db2.gz	KFFCUMFKMZGPDW-MHTXLSKPSA-N	0	1	557.994	5.123	50	30		KKEAMN
C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](OC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccnc2ccccc21	ZINC000245237561	1071254149	/nfs/dbraw/zinc/25/41/49/1071254149.db2.gz	NPMIODMZVRTOMZ-LPOMREIJSA-N	0	1	555.143	7.975	50	30		KKEAMN
Cc1cc(C=NN=C2NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)c(C)n1-c1ccc(C)cc1C	ZINC000886012550	1071315539	/nfs/dbraw/zinc/31/55/39/1071315539.db2.gz	HGJKSDWYNOUANB-HSZRJFAPSA-N	0	1	512.651	6.190	50	30		KKEAMN
CCCCCCCCCCC1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)NC1=O	ZINC000245263605	1072830274	/nfs/dbraw/zinc/83/02/74/1072830274.db2.gz	AZWKIKCNAJRYEE-HHHXNRCGSA-N	0	1	571.809	7.204	50	30		KKEAMN
CCCCCCCCCCCCCCC1S/C(=N\N=Cc2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c(OC)c2)NC1=O	ZINC000252486804	1072834694	/nfs/dbraw/zinc/83/46/94/1072834694.db2.gz	NSWGQGDFGUKFEA-LJAQVGFWSA-N	0	1	660.859	7.692	50	30		KKEAMN
CCN1CCC[C@@H]1CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=Nc1ccc(OC)cc1	ZINC000254296047	1072845406	/nfs/dbraw/zinc/84/54/06/1072845406.db2.gz	XBTAQGWXKUEPFQ-VLKQBRHVSA-N	0	1	527.690	6.363	50	30		KKEAMN
COc1ccc2cc(C(C)N=Nc3ccc(S(=O)(=O)Nc4ccc(SC(F)F)cc4)cc3[N+](=O)[O-])ccc2c1	ZINC000254559859	1072864421	/nfs/dbraw/zinc/86/44/21/1072864421.db2.gz	LASZNVHURDBEPU-UHFFFAOYSA-N	0	1	572.615	6.708	50	30		KKEAMN
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N=C2N=C3C=CC(Br)=CN3Cc3ccccc32)c1	ZINC000254765001	1072877988	/nfs/dbraw/zinc/87/79/88/1072877988.db2.gz	GZNUQKFOFZPIAL-UHFFFAOYSA-N	0	1	577.460	5.103	50	30		KKEAMN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N=NCc1ccc(N(c2ccccc2)c2ccccc2)cc1	ZINC000254822869	1072881849	/nfs/dbraw/zinc/88/18/49/1072881849.db2.gz	YNGXCVKEYNYRRP-UHFFFAOYSA-N	0	1	557.632	5.532	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Br)c2)nc1C	ZINC000000631074	551505029	/nfs/dbraw/zinc/50/50/29/551505029.db2.gz	SSVDCJNAOGIWTQ-GOSISDBHSA-N	0	1	545.386	5.313	50	30		KKEAMN
O=C(c1ccccc1)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000000674116	551520853	/nfs/dbraw/zinc/52/08/53/551520853.db2.gz	KINWNGNCMCOSKE-ONOMSOESSA-N	0	1	505.530	6.402	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000000703067	551530204	/nfs/dbraw/zinc/53/02/04/551530204.db2.gz	DJPDFQFYHRJWCL-VKGTZQKMSA-N	0	1	507.542	6.174	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000000703172	551530769	/nfs/dbraw/zinc/53/07/69/551530769.db2.gz	BCLDSGAKQICUID-JRPXNJEYSA-N	0	1	532.596	5.763	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000000703175	551530793	/nfs/dbraw/zinc/53/07/93/551530793.db2.gz	BCLDSGAKQICUID-IIMAJNMQSA-N	0	1	532.596	5.763	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccc(C)cc4)C3)[C@H]2c2cccnc2)cc(OC)c1OC	ZINC000000718114	551535073	/nfs/dbraw/zinc/53/50/73/551535073.db2.gz	PCEKRTASLDKZSE-CAQRMWTPSA-N	0	1	575.665	6.630	50	30		KKEAMN
COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2cccc(F)c2)cc(OC)c1OC	ZINC000000719676	551536087	/nfs/dbraw/zinc/53/60/87/551536087.db2.gz	ZDECLTXRBDGWQX-CBZJRKILSA-N	0	1	570.539	6.314	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1	ZINC000001239291	551630295	/nfs/dbraw/zinc/63/02/95/551630295.db2.gz	SKYDUIRPIPWPIR-CCLHPLFOSA-N	0	1	550.533	5.945	50	30		KKEAMN
CN1CCc2c(sc(/N=C/c3cc(Br)cc(Br)c3O)c2C(=O)OC(C)(C)C)C1	ZINC000001250323	551632607	/nfs/dbraw/zinc/63/26/07/551632607.db2.gz	ZUKRFAFOYSCTIR-NUGSKGIGSA-N	0	1	530.282	5.673	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000001261522	551633741	/nfs/dbraw/zinc/63/37/41/551633741.db2.gz	JKUBBKLSTHOFOP-YUDQIZAISA-N	0	1	534.637	6.749	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000001411050	551664719	/nfs/dbraw/zinc/66/47/19/551664719.db2.gz	LPLRLNHWGRKYTG-HHHXNRCGSA-N	0	1	524.573	5.174	50	30		KKEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccn1	ZINC000001413439	551665740	/nfs/dbraw/zinc/66/57/40/551665740.db2.gz	BTIOVILZAQQGLL-HSZRJFAPSA-N	0	1	502.368	5.146	50	30		KKEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccnc1	ZINC000001413437	551665771	/nfs/dbraw/zinc/66/57/71/551665771.db2.gz	WFNCFARBRLRGPN-HSZRJFAPSA-N	0	1	502.368	5.146	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1OC	ZINC000001413453	551665816	/nfs/dbraw/zinc/66/58/16/551665816.db2.gz	CRYVFABRJQAAKJ-AREMUKBSSA-N	0	1	500.526	5.145	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000001414702	551666411	/nfs/dbraw/zinc/66/64/11/551666411.db2.gz	GKYONOJYNXVHPC-RUZDIDTESA-N	0	1	515.407	6.060	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000001450206	551675125	/nfs/dbraw/zinc/67/51/25/551675125.db2.gz	NUHUEVJOHNARNX-JOCHJYFZSA-N	0	1	536.562	5.097	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000001450199	551675168	/nfs/dbraw/zinc/67/51/68/551675168.db2.gz	ZXZFDGRVPMENAU-IBGZPJMESA-N	0	1	517.415	6.456	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000001479908	551681145	/nfs/dbraw/zinc/68/11/45/551681145.db2.gz	SNIQVJVQMGPYOZ-XMMPIXPASA-N	0	1	544.585	5.273	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000001480014	551681503	/nfs/dbraw/zinc/68/15/03/551681503.db2.gz	AIYJTABEGJEOSG-NRFANRHFSA-N	0	1	524.570	5.257	50	30		KKEAMN
COc1ccc(CCN2C(=O)[C@@](c3c(C)[nH]n(-c4ccccc4)c3=O)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1OC	ZINC000001877038	551722934	/nfs/dbraw/zinc/72/29/34/551722934.db2.gz	GXCVAWSFURCZDL-PMERELPUSA-N	0	1	583.607	5.019	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000001451436	552078016	/nfs/dbraw/zinc/07/80/16/552078016.db2.gz	VJHHTPBDBGPSGJ-QHCPKHFHSA-N	0	1	534.590	5.569	50	30		KKEAMN
Cc1cc(/C=N/N=C2/NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)c(C)n1-c1cc(Cl)ccc1Cl	ZINC000002669086	552152247	/nfs/dbraw/zinc/15/22/47/552152247.db2.gz	CRAHTEXFISTKLA-DXXTXKTASA-N	0	1	553.487	6.880	50	30		KKEAMN
Cc1ccc2oc(-c3ccc(/N=C/c4cc(Br)cc(I)c4O)cc3)nc2c1	ZINC000003049935	552277084	/nfs/dbraw/zinc/27/70/84/552277084.db2.gz	DNVZGVJPSPUXLO-BHGWPJFGSA-N	0	1	533.163	6.627	50	30		KKEAMN
COc1cc(Br)c(Br)c(/C=N/c2ccc(-c3nc4ccccc4o3)c(O)c2)c1O	ZINC000003083390	552285839	/nfs/dbraw/zinc/28/58/39/552285839.db2.gz	QZIHQQVDHNAILA-YSURURNPSA-N	0	1	518.161	6.190	50	30		KKEAMN
CCOC(=O)c1c2c(sc1NC(=O)C(C#N)c1nc3ccccc3nc1Cl)C[C@@H](c1ccccc1)CC2	ZINC000003259762	552325793	/nfs/dbraw/zinc/32/57/93/552325793.db2.gz	CGKADVNCVSBUIU-PKOBYXMFSA-N	0	1	531.037	6.040	50	30		KKEAMN
Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)cc3s2)c(C)c1	ZINC000003663347	552407762	/nfs/dbraw/zinc/40/77/62/552407762.db2.gz	INQCKSRSHBBYEW-VZRWKNKGSA-N	0	1	544.529	8.104	50	30		KKEAMN
Cc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)cc3s2)c(C)c1	ZINC000003663351	552407822	/nfs/dbraw/zinc/40/78/22/552407822.db2.gz	QVMAELGSQYKXOY-LUOAPIJWSA-N	0	1	516.475	7.407	50	30		KKEAMN
CCOc1cc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1OCc1cccc(Cl)c1	ZINC000003664542	552408600	/nfs/dbraw/zinc/40/86/00/552408600.db2.gz	JUEHMYLAZFEREJ-UXHLAJHPSA-N	0	1	522.026	6.264	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000003979876	552424452	/nfs/dbraw/zinc/42/44/52/552424452.db2.gz	UNCQZRORTXNKGH-WJOKGBTCSA-N	0	1	548.639	7.140	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccs1	ZINC000004398395	552458712	/nfs/dbraw/zinc/45/87/12/552458712.db2.gz	WRLPSJVPFIQMMC-NRFANRHFSA-N	0	1	531.640	6.421	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000004638899	552470081	/nfs/dbraw/zinc/47/00/81/552470081.db2.gz	SDYOEFBQBPQBQH-LJAQVGFWSA-N	0	1	525.601	6.789	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000005355234	552498587	/nfs/dbraw/zinc/49/85/87/552498587.db2.gz	ZODDBSSJTXWHFG-OAQYLSRUSA-N	0	1	541.025	5.772	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(O)c(OCC)c2)cc1C	ZINC000005355349	552498668	/nfs/dbraw/zinc/49/86/68/552498668.db2.gz	KBXTXZFXTNAADZ-XMMPIXPASA-N	0	1	580.659	5.613	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000005918671	552511724	/nfs/dbraw/zinc/51/17/24/552511724.db2.gz	CPWXMAVLODQFDH-QHCPKHFHSA-N	0	1	566.632	5.217	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCC)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000005919025	552511993	/nfs/dbraw/zinc/51/19/93/552511993.db2.gz	UYHZLQLCXOSFCG-HSZRJFAPSA-N	0	1	567.063	6.328	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000005918797	552512011	/nfs/dbraw/zinc/51/20/11/552512011.db2.gz	SGHUHRHOFHUTDE-WHLCRQNOSA-N	0	1	528.605	5.371	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Cl)c2)cc1C	ZINC000005919761	552512261	/nfs/dbraw/zinc/51/22/61/552512261.db2.gz	VKIRJVMINXGIJB-JOCHJYFZSA-N	0	1	553.036	5.938	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccccc2F)nc1C	ZINC000005927820	552513052	/nfs/dbraw/zinc/51/30/52/552513052.db2.gz	GLTAZSUVMUFFPX-QFIPXVFZSA-N	0	1	536.581	5.423	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1	ZINC000005944504	552514659	/nfs/dbraw/zinc/51/46/59/552514659.db2.gz	VTGSPUMAADDXIP-GTYOFVGBSA-N	0	1	558.644	8.314	50	30		KKEAMN
COc1ccc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccc(C(C)(C)C)cc4)CC(=O)C3[C@H]2c2ccccc2Cl)cc1	ZINC000005944495	552514744	/nfs/dbraw/zinc/51/47/44/552514744.db2.gz	HHHBYMJZJYDXGC-XKWLHOGNSA-N	0	1	591.151	8.861	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)cc1OC	ZINC000006014875	552518913	/nfs/dbraw/zinc/51/89/13/552518913.db2.gz	AESVAWGOAHQLGM-QFIPXVFZSA-N	0	1	541.398	5.535	50	30		KKEAMN
CC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)nc1-c1ccccc1	ZINC000006146586	552548238	/nfs/dbraw/zinc/54/82/38/552548238.db2.gz	FESQMJQHWNQMLJ-UHFFFAOYSA-N	0	1	533.675	6.683	50	30		KKEAMN
Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000006146627	552548300	/nfs/dbraw/zinc/54/83/00/552548300.db2.gz	VDTVOMUZTKVMBF-UHFFFAOYSA-N	0	1	520.426	6.225	50	30		KKEAMN
Cc1cccc(Nc2nc(=NN=Cc3ccc(-c4cccc(Cl)c4)o3)nc(N3CCC(C)CC3)[nH]2)c1C	ZINC000006443253	552585585	/nfs/dbraw/zinc/58/55/85/552585585.db2.gz	KCGLRXRRTPXRLJ-OCSSWDANSA-N	0	1	516.049	6.828	50	30		KKEAMN
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4nc(C)c(C(C)=O)s4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)oc21	ZINC000006459118	552589953	/nfs/dbraw/zinc/58/99/53/552589953.db2.gz	NDBWIIPSZXYDBE-JOCHJYFZSA-N	0	1	578.599	5.218	50	30		KKEAMN
O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C=NN=c3nc(Nc4ccccc4)[nH]c(Nc4ccccc4)n3)o2)c1	ZINC000006473822	552591995	/nfs/dbraw/zinc/59/19/95/552591995.db2.gz	JGSXDNJLMOPVGX-LQKURTRISA-N	0	1	526.944	6.626	50	30		KKEAMN
CCCCCCCCCCCCCCCCCC(=O)NC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OCC	ZINC000008034940	552983941	/nfs/dbraw/zinc/98/39/41/552983941.db2.gz	QUVZKDZYEOYGKV-MHZLTWQESA-O	0	1	551.770	6.609	50	30	in-vitro	KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1ccc(Cl)cc1	ZINC000008383447	552986821	/nfs/dbraw/zinc/98/68/21/552986821.db2.gz	UJGNUEZDJMMGCF-HSZRJFAPSA-N	0	1	578.046	7.152	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	ZINC000008383861	552987681	/nfs/dbraw/zinc/98/76/81/552987681.db2.gz	URSLAVQSKAELDS-OLILMLBXSA-N	0	1	543.616	5.212	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	ZINC000008383853	552987707	/nfs/dbraw/zinc/98/77/07/552987707.db2.gz	URSLAVQSKAELDS-ACSYHNTCSA-N	0	1	543.616	5.212	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(OCc4ccccc4)cc3)s2)cc1	ZINC000008384008	552988281	/nfs/dbraw/zinc/98/82/81/552988281.db2.gz	QTSGSSZGHKFXRY-HKBQPEDESA-N	0	1	645.762	8.247	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC	ZINC000008383970	552988313	/nfs/dbraw/zinc/98/83/13/552988313.db2.gz	UHVIPJQSBSXYHU-HHHXNRCGSA-N	0	1	613.717	7.075	50	30		KKEAMN
Oc1ccccc1C=Nc1ccc2[nH]c(-c3ccc(-c4nc5ccc(N=Cc6ccccc6O)cc5[nH]4)cc3)nc2c1	ZINC000008386276	552991897	/nfs/dbraw/zinc/99/18/97/552991897.db2.gz	SNDFAYYOGSFCBU-CQFWSYKGSA-N	0	1	548.606	7.686	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/c1ccc(Br)cc1	ZINC000008426984	553019084	/nfs/dbraw/zinc/01/90/84/553019084.db2.gz	SRAPOAIYANTFGE-REZTVBANSA-N	0	1	527.925	5.115	50	30		KKEAMN
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)[C@H](C)c1ccc(CC(C)C)cc1)c1ccnc2ccc(OC)cc21	ZINC000008431280	553022671	/nfs/dbraw/zinc/02/26/71/553022671.db2.gz	KHTBQXMEHFNCNM-OEIIGFEWSA-N	0	1	512.694	6.726	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000008432583	553026447	/nfs/dbraw/zinc/02/64/47/553026447.db2.gz	APKQPVUXNMOUDN-WJOKGBTCSA-N	0	1	508.662	7.712	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)ccc1OCCC(C)C	ZINC000008440930	553038855	/nfs/dbraw/zinc/03/88/55/553038855.db2.gz	GNFCDUWNPKSYFP-HHHXNRCGSA-N	0	1	557.087	5.074	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccccc3)s2)cc1	ZINC000008441278	553039960	/nfs/dbraw/zinc/03/99/60/553039960.db2.gz	HHGFSNOAYADHDT-DEOSSOPVSA-N	0	1	539.638	6.668	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC	ZINC000008441749	553042256	/nfs/dbraw/zinc/04/22/56/553042256.db2.gz	GNMSVYBOOIBCOP-SSEXGKCCSA-N	0	1	612.704	7.802	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000008441788	553042354	/nfs/dbraw/zinc/04/23/54/553042354.db2.gz	CZKCMKZKBLTHIF-HKBQPEDESA-N	0	1	647.778	8.692	50	30		KKEAMN
COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)cc1	ZINC000008443910	553048428	/nfs/dbraw/zinc/04/84/28/553048428.db2.gz	WWGKPILAYPDWOI-LJAQVGFWSA-N	0	1	501.026	6.734	50	30		KKEAMN
O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1	ZINC000008444126	553049325	/nfs/dbraw/zinc/04/93/25/553049325.db2.gz	JEEHTRCHNXMPPE-UKZNZPTOSA-N	0	1	576.696	8.480	50	30		KKEAMN
CCOc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1	ZINC000008444113	553049330	/nfs/dbraw/zinc/04/93/30/553049330.db2.gz	HWUCENKIUWAWJC-QCBOHVIISA-N	0	1	544.651	7.308	50	30		KKEAMN
CCCCOc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000008444104	553049338	/nfs/dbraw/zinc/04/93/38/553049338.db2.gz	KUHFNBIQGOQYCS-WJVKJDHCSA-N	0	1	542.679	8.080	50	30		KKEAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2	ZINC000008445416	553054170	/nfs/dbraw/zinc/05/41/70/553054170.db2.gz	GBHOPVROEOXQKI-SANMLTNESA-N	0	1	513.491	5.103	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000008450858	553059459	/nfs/dbraw/zinc/05/94/59/553059459.db2.gz	GZCRGCDQYGNXMM-BNHRFMORSA-N	0	1	523.633	7.384	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000008450857	553059484	/nfs/dbraw/zinc/05/94/84/553059484.db2.gz	GZCRGCDQYGNXMM-GPNASLBKSA-N	0	1	523.633	7.384	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000008450859	553059537	/nfs/dbraw/zinc/05/95/37/553059537.db2.gz	GZCRGCDQYGNXMM-NRUKRWIHSA-N	0	1	523.633	7.384	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1	ZINC000008553649	553077791	/nfs/dbraw/zinc/07/77/91/553077791.db2.gz	PNJOHYATWKXHHG-WJOKGBTCSA-N	0	1	547.607	5.858	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000008555925	553077812	/nfs/dbraw/zinc/07/78/12/553077812.db2.gz	OFYMCZPFJIDRBI-HKBQPEDESA-N	0	1	548.639	6.996	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H]3c2cccs2)cc1	ZINC000008695559	553121861	/nfs/dbraw/zinc/12/18/61/553121861.db2.gz	WZCNTSYCLMAYNZ-ADSBAMQRSA-N	0	1	590.532	8.670	50	30		KKEAMN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc(Cl)c2)cc1	ZINC000008695594	553122201	/nfs/dbraw/zinc/12/22/01/553122201.db2.gz	XLYVPGQDWMIFQM-UKJJDJLKSA-N	0	1	519.044	7.863	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000008695630	553122401	/nfs/dbraw/zinc/12/24/01/553122401.db2.gz	PLPGDHBJMHHZGN-JEHQLEFQSA-N	0	1	614.739	7.211	50	30		KKEAMN
COc1cc([C@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC	ZINC000008753221	553135454	/nfs/dbraw/zinc/13/54/54/553135454.db2.gz	JZKNWYQIRMPUSI-HOYUZMNJSA-N	0	1	616.758	8.224	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)nc1C	ZINC000008836675	553163170	/nfs/dbraw/zinc/16/31/70/553163170.db2.gz	SEXSWBQPTIBYIW-HXUWFJFHSA-N	0	1	510.999	5.798	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000008838144	553165014	/nfs/dbraw/zinc/16/50/14/553165014.db2.gz	UOVWCLCCXNKFKL-QHCPKHFHSA-N	0	1	520.538	5.244	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(F)cc1	ZINC000008846635	553166315	/nfs/dbraw/zinc/16/63/15/553166315.db2.gz	DBOABUYSCPZZAG-UDNBHOFDSA-N	0	1	512.625	7.315	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OC	ZINC000008859673	553169814	/nfs/dbraw/zinc/16/98/14/553169814.db2.gz	OTOYMTUVLKVGOQ-XMMPIXPASA-N	0	1	509.990	5.003	50	30		KKEAMN
CCCCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2F)cc1	ZINC000008892218	553176547	/nfs/dbraw/zinc/17/65/47/553176547.db2.gz	OFPQCFFONIGVDK-PMERELPUSA-N	0	1	512.625	7.461	50	30		KKEAMN
COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1OC	ZINC000008916891	553186794	/nfs/dbraw/zinc/18/67/94/553186794.db2.gz	DRNCZVLJDCPAIQ-NDEPHWFRSA-N	0	1	513.663	6.717	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000008934737	553193245	/nfs/dbraw/zinc/19/32/45/553193245.db2.gz	PIYQCIXIKZNBKO-QHCPKHFHSA-N	0	1	516.550	5.567	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1	ZINC000008987988	553196852	/nfs/dbraw/zinc/19/68/52/553196852.db2.gz	LCIQDRTVGIVKGQ-HXUWFJFHSA-N	0	1	515.443	7.064	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1C	ZINC000008996430	553197188	/nfs/dbraw/zinc/19/71/88/553197188.db2.gz	YHAIFBPUVNAOHU-MUUNZHRXSA-N	0	1	530.621	5.755	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(CC)cc2)cc1C	ZINC000009019243	553200964	/nfs/dbraw/zinc/20/09/64/553200964.db2.gz	YMJNLLRXTZBXHH-MUUNZHRXSA-N	0	1	520.670	5.037	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C	ZINC000009019389	553201019	/nfs/dbraw/zinc/20/10/19/553201019.db2.gz	GUBSBQRJOMKBQO-RUZDIDTESA-N	0	1	501.539	5.112	50	30		KKEAMN
CCCOc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CC)[C@@H]2c1ccc(OC)cc1	ZINC000009041893	553202534	/nfs/dbraw/zinc/20/25/34/553202534.db2.gz	MJHZXZCGVYCEKR-APYJYERMSA-N	0	1	510.634	6.795	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000009042981	553202894	/nfs/dbraw/zinc/20/28/94/553202894.db2.gz	SVQZMNGXLYOHDQ-GDJIYFAZSA-N	0	1	501.970	6.559	50	30		KKEAMN
O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1)C(F)(F)F	ZINC000009057827	553204904	/nfs/dbraw/zinc/20/49/04/553204904.db2.gz	TXDKRWZQCFVRSL-CRICUBBOSA-N	0	1	514.906	6.942	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000009065074	553205710	/nfs/dbraw/zinc/20/57/10/553205710.db2.gz	UHLQQBASEQOHMF-QHCPKHFHSA-N	0	1	520.994	6.140	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(C)=O)cc1	ZINC000009065493	553205902	/nfs/dbraw/zinc/20/59/02/553205902.db2.gz	ZQACNVBXLYLHJI-SMSORMJASA-N	0	1	526.589	5.411	50	30	biogenic	KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000009067686	553206416	/nfs/dbraw/zinc/20/64/16/553206416.db2.gz	BZXRXDJOXUYCER-QFIPXVFZSA-N	0	1	506.605	5.938	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000009068490	553206615	/nfs/dbraw/zinc/20/66/15/553206615.db2.gz	XPBDRBOWZMLTSU-QHCPKHFHSA-N	0	1	520.994	6.140	50	30		KKEAMN
CCN(CC)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1	ZINC000009082811	553208113	/nfs/dbraw/zinc/20/81/13/553208113.db2.gz	DCMFSNKEJDFFFC-SSEXGKCCSA-N	0	1	524.734	7.546	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)ccc1OC(C)C	ZINC000009086036	553208262	/nfs/dbraw/zinc/20/82/62/553208262.db2.gz	LRSFLGOEPFAOSG-DEOSSOPVSA-N	0	1	521.411	5.718	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000009086236	553208343	/nfs/dbraw/zinc/20/83/43/553208343.db2.gz	CROVBIHRKCGPPR-RUZDIDTESA-N	0	1	501.539	5.112	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009123033	553212350	/nfs/dbraw/zinc/21/23/50/553212350.db2.gz	RGGHHWSGGXDHQG-JOCHJYFZSA-N	0	1	502.523	5.313	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000009176337	553216061	/nfs/dbraw/zinc/21/60/61/553216061.db2.gz	TXFSEBPFSDEFTO-DEOSSOPVSA-N	0	1	518.566	6.016	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009186468	553217459	/nfs/dbraw/zinc/21/74/59/553217459.db2.gz	AQDSNEKBBIFEGK-QHCPKHFHSA-N	0	1	520.994	6.140	50	30		KKEAMN
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)cc1	ZINC000009210434	553220859	/nfs/dbraw/zinc/22/08/59/553220859.db2.gz	DYOSUTCJOWPPFV-QHCPKHFHSA-N	0	1	507.384	5.410	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000009235627	553225443	/nfs/dbraw/zinc/22/54/43/553225443.db2.gz	KJUCAXQWXAIMBW-LJQANCHMSA-N	0	1	511.353	5.443	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000009240272	553226061	/nfs/dbraw/zinc/22/60/61/553226061.db2.gz	GWRDQZGATBFFGY-VWLOTQADSA-N	0	1	501.539	5.256	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nccs2)c1	ZINC000009243100	553226900	/nfs/dbraw/zinc/22/69/00/553226900.db2.gz	FVTAQPZBPDHCHS-QHCPKHFHSA-N	0	1	506.580	5.122	50	30		KKEAMN
O=C(c1ccccc1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009246705	553227322	/nfs/dbraw/zinc/22/73/22/553227322.db2.gz	WGVUHSVAFYEZBA-WBBHLRKXSA-N	0	1	515.569	6.809	50	30		KKEAMN
Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009264250	553228804	/nfs/dbraw/zinc/22/88/04/553228804.db2.gz	MYPYBFFKDKTOND-JRPXNJEYSA-N	0	1	524.020	7.848	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1	ZINC000009271256	553230667	/nfs/dbraw/zinc/23/06/67/553230667.db2.gz	VUVUYPFJTZPUJK-JOCHJYFZSA-N	0	1	520.538	5.244	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccc(F)cc2)cc1	ZINC000009272060	553231498	/nfs/dbraw/zinc/23/14/98/553231498.db2.gz	AHEMWIXKWGLZNO-DWXRJYCRSA-N	0	1	510.487	6.297	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(Cl)cc2)no1	ZINC000009272438	553231737	/nfs/dbraw/zinc/23/17/37/553231737.db2.gz	CAKZGOZNTSINAR-FQEVSTJZSA-N	0	1	515.791	6.171	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(Cl)cc2)no1	ZINC000009272437	553231796	/nfs/dbraw/zinc/23/17/96/553231796.db2.gz	CAKZGOZNTSINAR-HXUWFJFHSA-N	0	1	515.791	6.171	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000009272824	553231979	/nfs/dbraw/zinc/23/19/79/553231979.db2.gz	ADXOVBWZKFDOBV-NRFANRHFSA-N	0	1	522.554	5.033	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1OCC(C)C	ZINC000009272958	553232009	/nfs/dbraw/zinc/23/20/09/553232009.db2.gz	OYDYPSUHPREPEQ-VWLOTQADSA-N	0	1	501.539	5.112	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1	ZINC000009273700	553232232	/nfs/dbraw/zinc/23/22/32/553232232.db2.gz	VVJGRNLRKDNXGU-FQEVSTJZSA-N	0	1	509.381	6.052	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009280190	553233141	/nfs/dbraw/zinc/23/31/41/553233141.db2.gz	MXFVZHLNHMYNNS-OAQYLSRUSA-N	0	1	505.483	5.135	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)o1	ZINC000009280259	553233151	/nfs/dbraw/zinc/23/31/51/553233151.db2.gz	FDOBFKVFDRBCGI-LJQANCHMSA-N	0	1	513.344	5.882	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1	ZINC000009291424	553234686	/nfs/dbraw/zinc/23/46/86/553234686.db2.gz	KBFQKSHIIIIFQA-NGOKVRLYSA-N	0	1	512.606	5.753	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000009292958	553235255	/nfs/dbraw/zinc/23/52/55/553235255.db2.gz	IEMPKXQZUACFQY-DFXYEROKSA-N	0	1	517.581	6.581	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000009311981	553239946	/nfs/dbraw/zinc/23/99/46/553239946.db2.gz	RZBNNVBQYPHSMS-XRHLQHRESA-N	0	1	517.578	5.569	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCOC)cc1OCC	ZINC000009312654	553240416	/nfs/dbraw/zinc/24/04/16/553240416.db2.gz	WQHBEEBJFSUHEE-WINIVTDRSA-N	0	1	523.626	5.202	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCOC)cc1OCC	ZINC000009312651	553240450	/nfs/dbraw/zinc/24/04/50/553240450.db2.gz	WQHBEEBJFSUHEE-UZTOHYMASA-N	0	1	523.626	5.202	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(Br)c3)ccc2O1	ZINC000009312627	553240494	/nfs/dbraw/zinc/24/04/94/553240494.db2.gz	PEPDSEOWSIUHSJ-FYSMJZIKSA-N	0	1	504.380	5.551	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(Br)c3)ccc2O1	ZINC000009312626	553240504	/nfs/dbraw/zinc/24/05/04/553240504.db2.gz	PEPDSEOWSIUHSJ-GYCJOSAFSA-N	0	1	504.380	5.551	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000009313146	553240924	/nfs/dbraw/zinc/24/09/24/553240924.db2.gz	ZMAOLLWTTOFNOK-WHLCRQNOSA-N	0	1	513.590	5.238	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000009313147	553240981	/nfs/dbraw/zinc/24/09/81/553240981.db2.gz	ZMAOLLWTTOFNOK-GDJIYFAZSA-N	0	1	513.590	5.238	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000009318991	553241385	/nfs/dbraw/zinc/24/13/85/553241385.db2.gz	CWGLHFVUPUMWRC-WENCNXQZSA-N	0	1	527.577	5.923	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000009328950	553242036	/nfs/dbraw/zinc/24/20/36/553242036.db2.gz	AJWUGSWPBSUULJ-WHLCRQNOSA-N	0	1	531.605	5.959	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(O)cc2)o1	ZINC000009328429	553242050	/nfs/dbraw/zinc/24/20/50/553242050.db2.gz	BNPMPRJDTDNFCB-FQEVSTJZSA-N	0	1	505.577	5.220	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000009353419	553245651	/nfs/dbraw/zinc/24/56/51/553245651.db2.gz	JUPFWXXUHWOJIJ-HHHXNRCGSA-N	0	1	516.594	5.365	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000009353922	553245779	/nfs/dbraw/zinc/24/57/79/553245779.db2.gz	LTVUYMQMGPUMTA-GDJIYFAZSA-N	0	1	513.590	5.586	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000009353921	553245817	/nfs/dbraw/zinc/24/58/17/553245817.db2.gz	LTVUYMQMGPUMTA-WHLCRQNOSA-N	0	1	513.590	5.586	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000009357850	553247246	/nfs/dbraw/zinc/24/72/46/553247246.db2.gz	WCSFUJRSXGWBGX-KMRXNPHXSA-N	0	1	529.637	5.444	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000009359625	553248268	/nfs/dbraw/zinc/24/82/68/553248268.db2.gz	LAKRLJVDSJJIMM-NDEPHWFRSA-N	0	1	513.590	5.661	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000009370750	553250105	/nfs/dbraw/zinc/25/01/05/553250105.db2.gz	UIKHFVHWNWDKCK-VWLOTQADSA-N	0	1	501.539	5.256	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000009373794	553250731	/nfs/dbraw/zinc/25/07/31/553250731.db2.gz	PRLIEDLPRWOWBR-LAJNKCICSA-N	0	1	508.983	5.414	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc1OC	ZINC000009380007	553251577	/nfs/dbraw/zinc/25/15/77/553251577.db2.gz	VMMHRLAQOLUHGZ-HEIROHQZSA-N	0	1	524.661	6.922	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1	ZINC000009379783	553251607	/nfs/dbraw/zinc/25/16/07/553251607.db2.gz	OFNQBGQEEQSIMU-NDEPHWFRSA-N	0	1	525.004	6.401	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000009380495	553251695	/nfs/dbraw/zinc/25/16/95/553251695.db2.gz	ZYSBYZVBLVWNFN-NDEPHWFRSA-N	0	1	512.650	6.645	50	30		KKEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000009380662	553251927	/nfs/dbraw/zinc/25/19/27/553251927.db2.gz	WSUPFIMVJCUUKK-NDEPHWFRSA-N	0	1	515.606	6.047	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000009412321	553257560	/nfs/dbraw/zinc/25/75/60/553257560.db2.gz	WYTOLSQVLLPQPV-HMILPKGGSA-N	0	1	526.589	5.147	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000009424292	553258722	/nfs/dbraw/zinc/25/87/22/553258722.db2.gz	AGQRDVQUNRJIQQ-LJAQVGFWSA-N	0	1	527.617	5.704	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4C)cc3)[C@@H]2c2ccc(F)cc2)s1	ZINC000009424922	553259113	/nfs/dbraw/zinc/25/91/13/553259113.db2.gz	ARDDOWVZCSVPSO-DEOSSOPVSA-N	0	1	515.566	5.656	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1	ZINC000009425318	553259316	/nfs/dbraw/zinc/25/93/16/553259316.db2.gz	KHVKMDWIYIRUER-GDLZYMKVSA-N	0	1	509.719	7.998	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000009425163	553259356	/nfs/dbraw/zinc/25/93/56/553259356.db2.gz	UIQKXSZJTDGOCE-LJAQVGFWSA-N	0	1	520.585	5.756	50	30		KKEAMN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc(F)c2)cc1	ZINC000009427413	553259838	/nfs/dbraw/zinc/25/98/38/553259838.db2.gz	PXFLDFFHZYJPMO-GOXGLGGOSA-N	0	1	502.589	7.349	50	30		KKEAMN
COc1cc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC	ZINC000009427481	553259877	/nfs/dbraw/zinc/25/98/77/553259877.db2.gz	UPNKLMYBXKPODX-IIMAJNMQSA-N	0	1	524.617	6.023	50	30		KKEAMN
Cc1ccc(S(=O)(=O)N[C@H]2c3cccc4cccc(c34)[C@@H]2Sc2nncn2N=C2CCCC2)cc1	ZINC000009428631	553260564	/nfs/dbraw/zinc/26/05/64/553260564.db2.gz	HBWBAACCGRNOOS-DQEYMECFSA-N	0	1	503.653	5.384	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccccc3F)cc2)c1	ZINC000009461020	553267148	/nfs/dbraw/zinc/26/71/48/553267148.db2.gz	UYOHKQUBWDAGAG-XMMPIXPASA-N	0	1	500.551	5.953	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000009471161	553269729	/nfs/dbraw/zinc/26/97/29/553269729.db2.gz	WWCFLFGELILSNY-WTYVLRPYSA-N	0	1	512.606	5.608	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000009470854	553269734	/nfs/dbraw/zinc/26/97/34/553269734.db2.gz	ABEMMMKQESHULE-MUUNZHRXSA-N	0	1	513.590	5.458	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(C(C)C)cc3)cc2)c1	ZINC000009507126	553276026	/nfs/dbraw/zinc/27/60/26/553276026.db2.gz	HYXFSFIJUGQDQB-PMERELPUSA-N	0	1	521.613	7.069	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccs2)s1	ZINC000009540743	553277791	/nfs/dbraw/zinc/27/77/91/553277791.db2.gz	NUFILCIFHNUTKG-QFIPXVFZSA-N	0	1	503.605	5.578	50	30		KKEAMN
COc1cccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)c1	ZINC000009720993	553300917	/nfs/dbraw/zinc/30/09/17/553300917.db2.gz	XBGAEYDVQOIAHE-UKJJDJLKSA-N	0	1	500.598	6.910	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)c(C)c1	ZINC000012311286	553357151	/nfs/dbraw/zinc/35/71/51/553357151.db2.gz	LSCJEUMKYIPMHH-NRFANRHFSA-N	0	1	522.554	5.033	50	30		KKEAMN
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4nc(C)c(C(C)=O)s4)[C@@H]3c3ccc(F)cc3)oc21	ZINC000012533331	553387429	/nfs/dbraw/zinc/38/74/29/553387429.db2.gz	SMIIICNCQCBFIY-HXUWFJFHSA-N	0	1	506.511	5.331	50	30		KKEAMN
O=C(C1CCCCC1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000012652273	553409726	/nfs/dbraw/zinc/40/97/26/553409726.db2.gz	HVSKWFHAESDUSP-PBBNMVCDSA-N	0	1	501.026	7.414	50	30		KKEAMN
COC(=O)C(=CNNc1ncc(C(F)(F)F)cc1Cl)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12	ZINC000012950199	553428348	/nfs/dbraw/zinc/42/83/48/553428348.db2.gz	WQMKCPWHNNAVOV-YNRSOXIXSA-N	0	1	590.311	7.119	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000013551612	553470449	/nfs/dbraw/zinc/47/04/49/553470449.db2.gz	QSMUOPWEFYVUJZ-SANMLTNESA-N	0	1	502.567	5.062	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(O)cc3)cc2)c1	ZINC000013571136	553473913	/nfs/dbraw/zinc/47/39/13/553473913.db2.gz	ANSXQCPKRGBCKW-NDEPHWFRSA-N	0	1	506.558	5.453	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(Cl)c1	ZINC000013571560	553473945	/nfs/dbraw/zinc/47/39/45/553473945.db2.gz	UMRQLEOYDDRIDF-AREMUKBSSA-N	0	1	505.998	5.842	50	30		KKEAMN
CC(C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000013685423	553485124	/nfs/dbraw/zinc/48/51/24/553485124.db2.gz	KOKHMMWSJBZRGK-VWLOTQADSA-N	0	1	505.622	5.100	50	30		KKEAMN
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC=O	ZINC000014192280	553506344	/nfs/dbraw/zinc/50/63/44/553506344.db2.gz	RKIDALSACBQVTN-HHHXNRCGSA-O	0	1	594.747	6.132	50	30	in-vitro	KKEAMN
Cc1cc(C)c(/N=C2\[C@H](N3CCCCC3)C3(CCCCC3)C(=S)N2c2cccc(C(F)(F)F)c2)c(C)c1	ZINC000015861778	553537891	/nfs/dbraw/zinc/53/78/91/553537891.db2.gz	ROEANYSMJLBQAO-VDSCTPRRSA-N	0	1	527.700	8.313	50	30		KKEAMN
Oc1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1	ZINC000016513060	553566991	/nfs/dbraw/zinc/56/69/91/553566991.db2.gz	ZPVVAGVTYLSJGL-UVHMKAGCSA-N	0	1	514.210	7.032	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cccc(Br)c1	ZINC000016713760	553575318	/nfs/dbraw/zinc/57/53/18/553575318.db2.gz	RGDXFBKPZPKWMN-QHCPKHFHSA-N	0	1	516.432	5.407	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cccc(OC)c2)nc1C	ZINC000016730403	553576436	/nfs/dbraw/zinc/57/64/36/553576436.db2.gz	BLQRDTNGJOYDJA-OAQYLSRUSA-N	0	1	522.554	5.033	50	30		KKEAMN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F	ZINC000016731437	553577068	/nfs/dbraw/zinc/57/70/68/553577068.db2.gz	BICNSWQYZTYQEQ-MUUNZHRXSA-N	0	1	525.580	5.578	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F	ZINC000016731493	553577106	/nfs/dbraw/zinc/57/71/06/553577106.db2.gz	VEPTYOXCFBHRHX-MUUNZHRXSA-N	0	1	508.549	5.887	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000016731778	553577299	/nfs/dbraw/zinc/57/72/99/553577299.db2.gz	AITQULZEYKHYQA-AREMUKBSSA-N	0	1	507.558	5.939	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000016732171	553577494	/nfs/dbraw/zinc/57/74/94/553577494.db2.gz	GKYKXRIQYCHILN-LJQANCHMSA-N	0	1	517.390	5.752	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1OC	ZINC000016737068	553579289	/nfs/dbraw/zinc/57/92/89/553579289.db2.gz	OQCPEXGMTOOZTD-NDEPHWFRSA-N	0	1	525.557	5.654	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3nc4ccccc4s3)[C@H]2c2ccccc2)nc1C	ZINC000016750585	553580706	/nfs/dbraw/zinc/58/07/06/553580706.db2.gz	SRVGYQRMKLKEAP-LJQANCHMSA-N	0	1	517.588	5.187	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2F)cc1	ZINC000016805345	553582845	/nfs/dbraw/zinc/58/28/45/553582845.db2.gz	FNUMHQAYRFWMKB-NRFANRHFSA-N	0	1	524.570	5.339	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000016805809	553583065	/nfs/dbraw/zinc/58/30/65/553583065.db2.gz	BAJJMBIHZJYKOS-HHHXNRCGSA-N	0	1	515.562	6.382	50	30		KKEAMN
Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(CCOc3ccccc3)CC2)c1Cc1ccccc1	ZINC000020133360	553592322	/nfs/dbraw/zinc/59/23/22/553592322.db2.gz	QLUIYMAVAVFTBE-UHFFFAOYSA-N	0	1	501.634	5.459	50	30		KKEAMN
Cc1cccc2oc(-c3cc(/N=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)ccc3O)nc21	ZINC000017886054	553600379	/nfs/dbraw/zinc/60/03/79/553600379.db2.gz	LYSNXPSYODFADK-MBTHVWNTSA-N	0	1	510.462	6.868	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000070672795	553602714	/nfs/dbraw/zinc/60/27/14/553602714.db2.gz	ZSQUSLALPQALPW-QJWGWKRISA-N	0	1	544.648	6.786	50	30	biogenic	KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1	ZINC000018105968	553604493	/nfs/dbraw/zinc/60/44/93/553604493.db2.gz	KFWHLJAZLWQBRL-OSPAZUARSA-N	0	1	528.652	7.576	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1ccc(C#N)cc1	ZINC000018276793	553611885	/nfs/dbraw/zinc/61/18/85/553611885.db2.gz	HHQBUYJNJNCHOQ-QNLPTKCRSA-N	0	1	507.609	7.178	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000018325064	553612171	/nfs/dbraw/zinc/61/21/71/553612171.db2.gz	WDGYXGDEIGGBHT-JCOAXYOVSA-N	0	1	514.622	6.778	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000018325062	553612186	/nfs/dbraw/zinc/61/21/86/553612186.db2.gz	WDGYXGDEIGGBHT-BGOLNKOXSA-N	0	1	514.622	6.778	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4cc(OC)c(OC)c(OC)c4)C3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000079210050	553670246	/nfs/dbraw/zinc/67/02/46/553670246.db2.gz	VGPDRXMMBPXTSF-XYTTWMLMSA-N	0	1	740.806	6.978	50	30	biogenic	KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020057890	553671356	/nfs/dbraw/zinc/67/13/56/553671356.db2.gz	JELNASRSQUKFFS-NDEPHWFRSA-N	0	1	514.622	5.113	50	30		KKEAMN
CCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000020102022	553687327	/nfs/dbraw/zinc/68/73/27/553687327.db2.gz	WUGMJCKVGRCALP-AREMUKBSSA-N	0	1	519.649	5.492	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)cc1	ZINC000085994167	553692857	/nfs/dbraw/zinc/69/28/57/553692857.db2.gz	PBHFSZWKNHEKBL-MUUNZHRXSA-N	0	1	507.590	5.439	50	30		KKEAMN
CN(C)c1ccc(C(=NC(C2CCCCC2)(C2CCCCC2)C2CCCCC2)c2ccc(N(C)C)cc2)cc1	ZINC000095481002	553701707	/nfs/dbraw/zinc/70/17/07/553701707.db2.gz	LBNIKEMUFXCBAD-UHFFFAOYSA-N	0	1	527.841	9.136	50	30		KKEAMN
COc1ccc(/N=C2/c3ccccc3N(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1	ZINC000022938989	553768154	/nfs/dbraw/zinc/76/81/54/553768154.db2.gz	ZUJUWJSIYQTUNL-NMSHJFGGSA-N	0	1	516.645	5.527	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@@H]3c2cccs2)cc1	ZINC000097946029	553776170	/nfs/dbraw/zinc/77/61/70/553776170.db2.gz	FAKLVZSYEGABCR-URAOTHONSA-N	0	1	541.072	7.625	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)ccc1OCCC(C)C	ZINC000024192993	553790012	/nfs/dbraw/zinc/79/00/12/553790012.db2.gz	VJWAPKPOAGGQOC-SANMLTNESA-N	0	1	506.599	5.006	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccccc3Cl)C2)cc1	ZINC000097948120	553791237	/nfs/dbraw/zinc/79/12/37/553791237.db2.gz	VPWWYTRFJBZEGV-VKGTZQKMSA-N	0	1	553.024	8.100	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1	ZINC000097949030	553798730	/nfs/dbraw/zinc/79/87/30/553798730.db2.gz	KPNDUFPHUANICP-XZJHWRHTSA-N	0	1	633.188	8.937	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	ZINC000097951572	553809941	/nfs/dbraw/zinc/80/99/41/553809941.db2.gz	HNNFPGASZYCWFD-MUUNZHRXSA-N	0	1	535.556	5.656	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccccc1	ZINC000097951652	553810547	/nfs/dbraw/zinc/81/05/47/553810547.db2.gz	OCNIZBRYRBPXJP-PMERELPUSA-N	0	1	503.727	8.746	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000097951710	553810835	/nfs/dbraw/zinc/81/08/35/553810835.db2.gz	XWHGPOJRRDAREM-HKBQPEDESA-N	0	1	546.667	7.045	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000097952289	553814700	/nfs/dbraw/zinc/81/47/00/553814700.db2.gz	OXRWTTSEIGGIOL-RUZDIDTESA-N	0	1	540.597	5.600	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccc(Cl)c(Cl)c3)cc2)c1	ZINC000097952306	553814797	/nfs/dbraw/zinc/81/47/97/553814797.db2.gz	FCNGBLQCLBBTDG-SANMLTNESA-N	0	1	539.459	6.021	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccc(Cl)c(Cl)c3)cc2)c1	ZINC000097952306	553814799	/nfs/dbraw/zinc/81/47/99/553814799.db2.gz	FCNGBLQCLBBTDG-SANMLTNESA-N	0	1	539.459	6.021	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000097952526	553816366	/nfs/dbraw/zinc/81/63/66/553816366.db2.gz	KZNLBNCMLXRGFD-GDLZYMKVSA-N	0	1	537.616	5.448	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(N(C)C)cc3)cc2)c1	ZINC000097952524	553816375	/nfs/dbraw/zinc/81/63/75/553816375.db2.gz	TZEBVDMXQUJKHK-SSEXGKCCSA-N	0	1	533.628	5.814	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000097952587	553816976	/nfs/dbraw/zinc/81/69/76/553816976.db2.gz	YGDWLQHLRDEHFA-LJAQVGFWSA-N	0	1	537.616	5.448	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000097954016	553820686	/nfs/dbraw/zinc/82/06/86/553820686.db2.gz	WMDAWCCLWSZCIF-WRONEBCDSA-N	0	1	542.632	5.761	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000026841438	553821614	/nfs/dbraw/zinc/82/16/14/553821614.db2.gz	WRRKPSFUKFCCLC-MUUNZHRXSA-N	0	1	512.606	5.492	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000097954168	553821851	/nfs/dbraw/zinc/82/18/51/553821851.db2.gz	CMQBZDACFWOFTQ-DFXYEROKSA-N	0	1	541.644	6.366	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000097954693	553824658	/nfs/dbraw/zinc/82/46/58/553824658.db2.gz	BXFNEQMPROENDU-HHHXNRCGSA-N	0	1	534.609	5.988	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000097954745	553825400	/nfs/dbraw/zinc/82/54/00/553825400.db2.gz	NPCUNQIFFLPHCZ-UVDDSOTQSA-N	0	1	531.608	6.368	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1	ZINC000097955146	553829185	/nfs/dbraw/zinc/82/91/85/553829185.db2.gz	PKIBAAPQKOEGNY-ZAMGYDSWSA-N	0	1	520.969	6.195	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000097955262	553830485	/nfs/dbraw/zinc/83/04/85/553830485.db2.gz	UPODBMJPAIOXNH-ZAMGYDSWSA-N	0	1	547.976	5.964	50	30		KKEAMN
COc1cccc(-c2nc3cc(/N=C/c4cc(I)cc(I)c4O)ccc3o2)c1	ZINC000097955558	553831393	/nfs/dbraw/zinc/83/13/93/553831393.db2.gz	HFHNIPWCPCKQEH-BHGWPJFGSA-N	0	1	596.162	6.169	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C	ZINC000097955590	553831631	/nfs/dbraw/zinc/83/16/31/553831631.db2.gz	QQCDUDFYYCPZCB-VWLOTQADSA-N	0	1	606.653	5.146	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000097955613	553832070	/nfs/dbraw/zinc/83/20/70/553832070.db2.gz	RMWCCLOOBRJDTN-LGGPFLRQSA-N	0	1	535.600	5.667	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(N(C)C)cc2)cc1	ZINC000097955751	553833611	/nfs/dbraw/zinc/83/36/11/553833611.db2.gz	HGYHCUIKPNFRTD-PMERELPUSA-N	0	1	533.628	5.814	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000097955820	553834139	/nfs/dbraw/zinc/83/41/39/553834139.db2.gz	AEUUSYFXXRZTGH-SANMLTNESA-N	0	1	526.614	6.212	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000097956227	553836976	/nfs/dbraw/zinc/83/69/76/553836976.db2.gz	LQCARSUPQNCQIE-ZAMGYDSWSA-N	0	1	531.521	5.450	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000097956570	553839825	/nfs/dbraw/zinc/83/98/25/553839825.db2.gz	JOYRKHIDEAISSM-LJJVSIPNSA-N	0	1	680.754	6.961	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000097956785	553841726	/nfs/dbraw/zinc/84/17/26/553841726.db2.gz	YXIRIQHEFPVOIJ-FQEVSTJZSA-N	0	1	561.443	6.035	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000097956824	553842149	/nfs/dbraw/zinc/84/21/49/553842149.db2.gz	VETQKCVQEQHDMR-HXUWFJFHSA-N	0	1	526.998	5.382	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000097956890	553842941	/nfs/dbraw/zinc/84/29/41/553842941.db2.gz	GWDNUFPNEWQWOF-DEOSSOPVSA-N	0	1	578.643	5.302	50	30		KKEAMN
CCCC1S/C(=N/N=C/c2cc(Br)ccc2OC)N(Cc2cccc3ccccc32)C1=O	ZINC000031902254	553862151	/nfs/dbraw/zinc/86/21/51/553862151.db2.gz	WTMUXVDKPPSSBO-RKZRYHITSA-N	0	1	510.457	6.245	50	30		KKEAMN
Cc1cc(OCCOc2c(Cl)cc(Cl)cc2CN=Nc2cc(N3CCCC3)nc(N3CCCC3)n2)ccc1Cl	ZINC000097959444	553863965	/nfs/dbraw/zinc/86/39/65/553863965.db2.gz	VFXAIKCOXQIVDU-KCSSXMTESA-N	0	1	589.955	6.849	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@H]3c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	ZINC000097960020	553867554	/nfs/dbraw/zinc/86/75/54/553867554.db2.gz	PBWAOCFLQXGNPZ-UGOHAPBYSA-N	0	1	660.924	10.561	50	30		KKEAMN
CC(C)c1ccc(N2C(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)C(=O)NC2=S)cc1	ZINC000097962898	553886073	/nfs/dbraw/zinc/88/60/73/553886073.db2.gz	ZOAJQFLAAQYMBT-YDZHTSKRSA-N	0	1	560.473	6.695	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000097966843	553911044	/nfs/dbraw/zinc/91/10/44/553911044.db2.gz	OGWCBFZVKWTKIE-BGOLNKOXSA-N	0	1	565.622	6.359	50	30		KKEAMN
CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000097966900	553911436	/nfs/dbraw/zinc/91/14/36/553911436.db2.gz	MVUTZBKMDTYKOT-HKBQPEDESA-N	0	1	554.687	5.437	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000097966905	553911960	/nfs/dbraw/zinc/91/19/60/553911960.db2.gz	VVXUMKIXITZERC-YTTGMZPUSA-N	0	1	563.650	6.981	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)ccc1OCc1ccccc1	ZINC000097966914	553911966	/nfs/dbraw/zinc/91/19/66/553911966.db2.gz	HEEQRHZPHKVVPP-GDLZYMKVSA-N	0	1	544.623	5.014	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000097966971	553912399	/nfs/dbraw/zinc/91/23/99/553912399.db2.gz	GPPBZDNWKZOYSY-HKBQPEDESA-N	0	1	646.721	7.701	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C	ZINC000097967012	553912645	/nfs/dbraw/zinc/91/26/45/553912645.db2.gz	PGTJNLXOATZFDX-URAOTHONSA-N	0	1	556.659	6.007	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000097966983	553912743	/nfs/dbraw/zinc/91/27/43/553912743.db2.gz	GULCBQLIWBGTFN-MUUNZHRXSA-N	0	1	628.703	6.316	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000097967216	553915317	/nfs/dbraw/zinc/91/53/17/553915317.db2.gz	ACDQGJAYPDPCRM-GHRAFVERSA-N	0	1	561.634	6.376	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000097967340	553917217	/nfs/dbraw/zinc/91/72/17/553917217.db2.gz	QFFHWUHQLOITMN-SSEXGKCCSA-N	0	1	654.741	6.872	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000097967355	553917302	/nfs/dbraw/zinc/91/73/02/553917302.db2.gz	UDSGTUDCCRWRIG-QHCPKHFHSA-N	0	1	553.423	6.466	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C	ZINC000097967386	553917637	/nfs/dbraw/zinc/91/76/37/553917637.db2.gz	HAMPJURZEFITQN-PBBNMVCDSA-N	0	1	559.663	5.309	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C	ZINC000097967388	553917718	/nfs/dbraw/zinc/91/77/18/553917718.db2.gz	HAMPJURZEFITQN-ONOMSOESSA-N	0	1	559.663	5.309	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000097967434	553918567	/nfs/dbraw/zinc/91/85/67/553918567.db2.gz	MZRQUZTYOOVBHV-SXBQZSJRSA-N	0	1	637.508	6.278	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)s2)cc1	ZINC000097967498	553919343	/nfs/dbraw/zinc/91/93/43/553919343.db2.gz	AHTBQTNYGQAKDN-CHJDUVSTSA-N	0	1	641.815	7.670	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000097967540	553919809	/nfs/dbraw/zinc/91/98/09/553919809.db2.gz	HISILXPXQOTWLV-WRGVRERRSA-N	0	1	692.259	8.168	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097967556	553920255	/nfs/dbraw/zinc/92/02/55/553920255.db2.gz	OTNJAPKMFWJVKA-OWJWWREXSA-N	0	1	610.544	7.244	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097967603	553920501	/nfs/dbraw/zinc/92/05/01/553920501.db2.gz	UBDJPFNAJVDIDI-AFJIDDCJSA-N	0	1	662.233	8.015	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C	ZINC000097967594	553920570	/nfs/dbraw/zinc/92/05/70/553920570.db2.gz	BYNRMFCXOGZJQI-AREMUKBSSA-N	0	1	620.680	5.536	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097967601	553920591	/nfs/dbraw/zinc/92/05/91/553920591.db2.gz	UBDJPFNAJVDIDI-WRONEBCDSA-N	0	1	662.233	8.015	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097967629	553920970	/nfs/dbraw/zinc/92/09/70/553920970.db2.gz	GZUVFJHDXVOIRK-CHJDUVSTSA-N	0	1	641.815	7.814	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097967628	553921045	/nfs/dbraw/zinc/92/10/45/553921045.db2.gz	GZUVFJHDXVOIRK-SMSORMJASA-N	0	1	641.815	7.814	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1	ZINC000097967691	553921924	/nfs/dbraw/zinc/92/19/24/553921924.db2.gz	DHPUARWSFKWTAH-WRAWZCCESA-N	0	1	741.891	9.068	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1	ZINC000097967716	553922115	/nfs/dbraw/zinc/92/21/15/553922115.db2.gz	IVAWWMRPLKQKHB-XGCWNURASA-N	0	1	569.639	5.540	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000097967707	553922371	/nfs/dbraw/zinc/92/23/71/553922371.db2.gz	PRBVFMHGQPRHFO-HHHXNRCGSA-N	0	1	614.676	5.926	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097967793	553922971	/nfs/dbraw/zinc/92/29/71/553922971.db2.gz	JVOMOFAFLLPYSH-JPZYQRIQSA-N	0	1	671.841	7.904	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C	ZINC000097967813	553923516	/nfs/dbraw/zinc/92/35/16/553923516.db2.gz	NJEQMFHQUVQSEO-RBSBEOHCSA-N	0	1	619.139	7.490	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C	ZINC000097967824	553923616	/nfs/dbraw/zinc/92/36/16/553923616.db2.gz	TYNPTQDHOILHJX-PMERELPUSA-N	0	1	691.803	7.347	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000097967807	553923635	/nfs/dbraw/zinc/92/36/35/553923635.db2.gz	XMVWXBCFYBTIFF-WRGVRERRSA-N	0	1	675.804	7.653	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097967857	553923915	/nfs/dbraw/zinc/92/39/15/553923915.db2.gz	USAFZBKKCNZUCZ-MUUNZHRXSA-N	0	1	629.760	6.809	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000097967830	553924065	/nfs/dbraw/zinc/92/40/65/553924065.db2.gz	IDQIMHRJIATBES-IZHWHUGBSA-N	0	1	577.634	6.215	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C	ZINC000097967834	553924176	/nfs/dbraw/zinc/92/41/76/553924176.db2.gz	RDIAFZGCJPLFEW-QJWGWKRISA-N	0	1	740.731	9.067	50	30		KKEAMN
CCOC(=O)c1c(/N=C/c2cc(I)cc(I)c2O)sc2c1CCN(Cc1ccccc1)C2	ZINC000033353283	553924214	/nfs/dbraw/zinc/92/42/14/553924214.db2.gz	JECFBQKQYVNBEY-KKMKTNMSSA-N	0	1	672.326	6.149	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000097967859	553924597	/nfs/dbraw/zinc/92/45/97/553924597.db2.gz	AHRCKSDGYOWKSB-SSEXGKCCSA-N	0	1	718.640	8.270	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000097967860	553924604	/nfs/dbraw/zinc/92/46/04/553924604.db2.gz	AHRCKSDGYOWKSB-PMERELPUSA-N	0	1	718.640	8.270	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097967891	553924929	/nfs/dbraw/zinc/92/49/29/553924929.db2.gz	RHXPHZLYLMAJNT-NDEPHWFRSA-N	0	1	643.743	6.348	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097967932	553925293	/nfs/dbraw/zinc/92/52/93/553925293.db2.gz	VIIZTXBUECPLDR-AREMUKBSSA-N	0	1	634.135	6.603	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000097967937	553925357	/nfs/dbraw/zinc/92/53/57/553925357.db2.gz	AFOXEIVBKBJSFA-IVCQMTBJSA-N	0	1	589.670	6.084	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)s2)cc1	ZINC000097967977	553925819	/nfs/dbraw/zinc/92/58/19/553925819.db2.gz	OTYBYXGVVCOPAN-LJAQVGFWSA-N	0	1	643.787	7.118	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000097967970	553925847	/nfs/dbraw/zinc/92/58/47/553925847.db2.gz	REMPVJBLESSQJG-MUUNZHRXSA-N	0	1	651.722	6.324	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000097967986	553926072	/nfs/dbraw/zinc/92/60/72/553926072.db2.gz	VGQJLTLQXBEQBN-UMSFTDKQSA-N	0	1	723.873	8.505	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)s2)cc1	ZINC000097968029	553926579	/nfs/dbraw/zinc/92/65/79/553926579.db2.gz	DQTFQRBYERFOAM-XMMPIXPASA-N	0	1	575.643	5.832	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2	ZINC000097968052	553926914	/nfs/dbraw/zinc/92/69/14/553926914.db2.gz	HVDCKJJKOIRYKE-HSZRJFAPSA-N	0	1	559.625	5.090	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000097968066	553927171	/nfs/dbraw/zinc/92/71/71/553927171.db2.gz	GXCYNRVWAYZCIF-XMMPIXPASA-N	0	1	608.097	6.047	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097968100	553927388	/nfs/dbraw/zinc/92/73/88/553927388.db2.gz	OTKPZZZXNIVTLW-RUZDIDTESA-N	0	1	622.124	6.437	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097968082	553927398	/nfs/dbraw/zinc/92/73/98/553927398.db2.gz	UKHGXKHOUXSLLH-AREMUKBSSA-N	0	1	601.706	6.173	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097968091	553927541	/nfs/dbraw/zinc/92/75/41/553927541.db2.gz	CXOKLTNIJWSDPI-ADXZGYQBSA-N	0	1	696.678	8.668	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097968089	553927548	/nfs/dbraw/zinc/92/75/48/553927548.db2.gz	CXOKLTNIJWSDPI-SLQAJWMNSA-N	0	1	696.678	8.668	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000097968172	553928870	/nfs/dbraw/zinc/92/88/70/553928870.db2.gz	ROFNPUQUWZLHPA-SSEXGKCCSA-N	0	1	684.195	7.617	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097968226	553929247	/nfs/dbraw/zinc/92/92/47/553929247.db2.gz	SKHLCEVCIHEOGY-CBZJRKILSA-N	0	1	668.624	8.032	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000097968238	553929541	/nfs/dbraw/zinc/92/95/41/553929541.db2.gz	NHTVTTIVFVBWIL-OYLFLEFRSA-N	0	1	594.089	6.729	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000097968261	553929549	/nfs/dbraw/zinc/92/95/49/553929549.db2.gz	NAYYPMLARVEMPN-NDEPHWFRSA-N	0	1	680.204	7.225	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097968247	553929616	/nfs/dbraw/zinc/92/96/16/553929616.db2.gz	HSSNVYQIVZIREF-LJAQVGFWSA-N	0	1	677.776	7.101	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1	ZINC000097968258	553929619	/nfs/dbraw/zinc/92/96/19/553929619.db2.gz	HMHRHUWNNALJLP-JGCGQSQUSA-N	0	1	728.248	8.016	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000097968256	553929649	/nfs/dbraw/zinc/92/96/49/553929649.db2.gz	XPGYFAPVCSPEMB-SSEXGKCCSA-N	0	1	684.195	7.617	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000097968262	553929951	/nfs/dbraw/zinc/92/99/51/553929951.db2.gz	VIEDCSWBTLPXKG-HHHXNRCGSA-N	0	1	700.622	7.489	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097968282	553929959	/nfs/dbraw/zinc/92/99/59/553929959.db2.gz	HSFXQUUUUVSLAU-NDEPHWFRSA-N	0	1	647.750	6.949	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097968294	553930298	/nfs/dbraw/zinc/93/02/98/553930298.db2.gz	KTIMJXXFBLDIER-SANMLTNESA-N	0	1	634.135	6.603	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097968344	553930675	/nfs/dbraw/zinc/93/06/75/553930675.db2.gz	NWZZYWMHXVDASL-MHZLTWQESA-N	0	1	615.733	6.563	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2	ZINC000097968327	553930713	/nfs/dbraw/zinc/93/07/13/553930713.db2.gz	NSGKPDXQAUPSFC-HSZRJFAPSA-N	0	1	594.070	5.744	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(O)c3)ccc2O1	ZINC000097968352	553930776	/nfs/dbraw/zinc/93/07/76/553930776.db2.gz	PCNKJAZIVDQLJD-OWJWWREXSA-N	0	1	575.643	5.781	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097968382	553931345	/nfs/dbraw/zinc/93/13/45/553931345.db2.gz	OLDFETPQTWZVCQ-GEFUHLBYSA-N	0	1	716.668	8.823	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097968414	553931911	/nfs/dbraw/zinc/93/19/11/553931911.db2.gz	UVXSQHQKPUNBDZ-HHHXNRCGSA-N	0	1	631.732	6.182	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000097968408	553931935	/nfs/dbraw/zinc/93/19/35/553931935.db2.gz	IRGHKHAFJWDBIW-XMMPIXPASA-N	0	1	642.542	6.700	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097968410	553931994	/nfs/dbraw/zinc/93/19/94/553931994.db2.gz	QACARLVBDWEHHK-AREMUKBSSA-N	0	1	636.151	6.827	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000097968391	553932009	/nfs/dbraw/zinc/93/20/09/553932009.db2.gz	ZFDHVNXXVPOGMI-WRHNGFHOSA-N	0	1	609.704	7.229	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097968415	553932471	/nfs/dbraw/zinc/93/24/71/553932471.db2.gz	UVXSQHQKPUNBDZ-MHZLTWQESA-N	0	1	631.732	6.182	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@@H]2c2cccc(Br)c2)cc(OC)c1OC	ZINC000033355180	553933450	/nfs/dbraw/zinc/93/34/50/553933450.db2.gz	GDWRRQJYZYAPDD-WYOOIXGGSA-N	0	1	639.546	7.689	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000033355649	553935773	/nfs/dbraw/zinc/93/57/73/553935773.db2.gz	GMCUHKJVWDYORJ-DWXRJYCRSA-N	0	1	546.601	5.476	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097969138	553936837	/nfs/dbraw/zinc/93/68/37/553936837.db2.gz	YGFQPUVYTGIHNR-MRDQGFSESA-N	0	1	603.697	6.475	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000097969160	553937514	/nfs/dbraw/zinc/93/75/14/553937514.db2.gz	VHZWXNNUDXQQAB-SHACYNPGSA-N	0	1	551.451	7.018	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097969193	553937774	/nfs/dbraw/zinc/93/77/74/553937774.db2.gz	NUSWFWKZBZNRLE-ACSYHNTCSA-N	0	1	662.233	8.159	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1	ZINC000097969213	553937798	/nfs/dbraw/zinc/93/77/98/553937798.db2.gz	KVPSRJLHQPBXLF-PMERELPUSA-N	0	1	582.623	9.509	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)cc1C	ZINC000097969195	553937944	/nfs/dbraw/zinc/93/79/44/553937944.db2.gz	NHCBURMNTGGNEM-QFIPXVFZSA-N	0	1	555.052	6.162	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000097969242	553938395	/nfs/dbraw/zinc/93/83/95/553938395.db2.gz	LIFASENJOXSXRD-MUUNZHRXSA-N	0	1	621.111	7.081	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000097969235	553938429	/nfs/dbraw/zinc/93/84/29/553938429.db2.gz	DQYIJPVUNOQTFJ-LMKMVOKYSA-N	0	1	634.135	6.377	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097969248	553938678	/nfs/dbraw/zinc/93/86/78/553938678.db2.gz	ZBUKCLLNIIMZIB-GYCJOSAFSA-N	0	1	576.099	6.590	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097969264	553938779	/nfs/dbraw/zinc/93/87/79/553938779.db2.gz	FLXMOMVRKGMXGF-ONOMSOESSA-N	0	1	627.788	7.506	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097969339	553939686	/nfs/dbraw/zinc/93/96/86/553939686.db2.gz	WHQXNSFCKMKFMA-UZTOHYMASA-N	0	1	597.718	6.502	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1	ZINC000097969360	553940057	/nfs/dbraw/zinc/94/00/57/553940057.db2.gz	VUOXJNAFLMSOLU-ZLOXQWCVSA-N	0	1	581.875	6.819	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000097969649	553943453	/nfs/dbraw/zinc/94/34/53/553943453.db2.gz	VLCALTNROZAOOJ-CPJLOUKISA-N	0	1	606.125	6.599	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000097969739	553944214	/nfs/dbraw/zinc/94/42/14/553944214.db2.gz	IMYHRWMRZRXYRP-SANMLTNESA-N	0	1	577.058	6.683	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000097969896	553946354	/nfs/dbraw/zinc/94/63/54/553946354.db2.gz	PXQLJGLLPHLVNG-JYRCXFKTSA-N	0	1	605.112	7.244	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C	ZINC000097969888	553946447	/nfs/dbraw/zinc/94/64/47/553946447.db2.gz	CQFCLHSSESUYOL-JCOAXYOVSA-N	0	1	689.831	7.899	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1	ZINC000097969924	553946873	/nfs/dbraw/zinc/94/68/73/553946873.db2.gz	FGLZXLOMFNFYIO-WJOKGBTCSA-N	0	1	655.128	7.482	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000097969935	553947226	/nfs/dbraw/zinc/94/72/26/553947226.db2.gz	QPJGNPJEKWYLAM-CPJLOUKISA-N	0	1	617.680	5.862	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1	ZINC000097969982	553947728	/nfs/dbraw/zinc/94/77/28/553947728.db2.gz	RCOBNQPAPRVFCU-LJAQVGFWSA-N	0	1	616.692	6.293	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1	ZINC000097970053	553948725	/nfs/dbraw/zinc/94/87/25/553948725.db2.gz	PYXPWTNMGLEOJT-KATKFWMUSA-N	0	1	726.276	8.568	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1	ZINC000097970069	553948999	/nfs/dbraw/zinc/94/89/99/553948999.db2.gz	SBZKPZYBOOEQJZ-RUZDIDTESA-N	0	1	592.670	5.751	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000097970061	553949006	/nfs/dbraw/zinc/94/90/06/553949006.db2.gz	NNCXIDOEKGINQL-DWXRJYCRSA-N	0	1	613.717	6.032	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1	ZINC000097970055	553949127	/nfs/dbraw/zinc/94/91/27/553949127.db2.gz	PYXPWTNMGLEOJT-NBLPZQPVSA-N	0	1	726.276	8.568	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000097970087	553949489	/nfs/dbraw/zinc/94/94/89/553949489.db2.gz	ZNGDINUGIZESKQ-SLQAJWMNSA-N	0	1	649.750	6.877	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC	ZINC000097970130	553949860	/nfs/dbraw/zinc/94/98/60/553949860.db2.gz	ONKZPVFBTYSEJA-RUZDIDTESA-N	0	1	608.669	5.370	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000097970192	553950834	/nfs/dbraw/zinc/95/08/34/553950834.db2.gz	OHNHVGRDRMNJPG-ROTAYESASA-N	0	1	689.831	8.044	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1	ZINC000097970275	553951984	/nfs/dbraw/zinc/95/19/84/553951984.db2.gz	MTYVHPYZCRALDK-XMMPIXPASA-N	0	1	578.643	5.361	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C	ZINC000097970292	553951997	/nfs/dbraw/zinc/95/19/97/553951997.db2.gz	CBWHGNCIVAOMEX-WRGVRERRSA-N	0	1	654.741	6.712	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000097970277	553952098	/nfs/dbraw/zinc/95/20/98/553952098.db2.gz	YLDPHRORZTYZJW-CPJLOUKISA-N	0	1	606.125	6.599	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C	ZINC000097970291	553952104	/nfs/dbraw/zinc/95/21/04/553952104.db2.gz	CBWHGNCIVAOMEX-WENCNXQZSA-N	0	1	654.741	6.712	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1	ZINC000097970400	553953630	/nfs/dbraw/zinc/95/36/30/553953630.db2.gz	DFQRKEUPRRUXJU-APYJYERMSA-N	0	1	576.649	6.161	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000097970440	553954047	/nfs/dbraw/zinc/95/40/47/553954047.db2.gz	IOAKEVYSVCTVOI-JLCFBVMHSA-N	0	1	551.020	5.554	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097970454	553954167	/nfs/dbraw/zinc/95/41/67/553954167.db2.gz	ZBRAWKBUSFEZJG-APYJYERMSA-N	0	1	663.821	8.269	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)s2)cc1	ZINC000097970534	553955428	/nfs/dbraw/zinc/95/54/28/553955428.db2.gz	AZYXLUOLMQKORJ-GKVSMKOHSA-N	0	1	590.126	6.899	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)s2)cc1	ZINC000097970535	553955445	/nfs/dbraw/zinc/95/54/45/553955445.db2.gz	AZYXLUOLMQKORJ-NSYGIPOTSA-N	0	1	590.126	6.899	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000097970634	553956853	/nfs/dbraw/zinc/95/68/53/553956853.db2.gz	VXGNNTJHKOGTDX-LBEKAKSKSA-N	0	1	619.139	7.634	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C	ZINC000097970719	553958025	/nfs/dbraw/zinc/95/80/25/553958025.db2.gz	IETXFNQHGFZMEB-BGOLNKOXSA-N	0	1	706.286	8.414	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1	ZINC000097971022	553960550	/nfs/dbraw/zinc/96/05/50/553960550.db2.gz	QCJYYMFPYGRORH-ICACTRECSA-N	0	1	576.649	6.161	50	30		KKEAMN
N#Cc1c(Nc2nc3ccccc3nc2N2CCN(Cc3ccccc3)CC2)oc(-c2ccccc2)c1-c1ccccc1	ZINC000097984868	554018873	/nfs/dbraw/zinc/01/88/73/554018873.db2.gz	PCSOJCCPAMCGHL-UHFFFAOYSA-N	0	1	562.677	7.494	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1	ZINC000097999652	554044986	/nfs/dbraw/zinc/04/49/86/554044986.db2.gz	WOGUDUCWUZWKQH-IANOAQMISA-N	0	1	593.079	7.350	50	30		KKEAMN
O=C(c1ccc(Cl)c(Cl)c1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000098000318	554050177	/nfs/dbraw/zinc/05/01/77/554050177.db2.gz	ZONZGPCOAPCOMI-XBBWARJSSA-N	0	1	563.868	8.454	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	ZINC000098003656	554055650	/nfs/dbraw/zinc/05/56/50/554055650.db2.gz	BMXZJXFLGGNFJG-HFOCTHEHSA-N	0	1	689.639	10.186	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1	ZINC000098003653	554055682	/nfs/dbraw/zinc/05/56/82/554055682.db2.gz	DIGWGDPLQSYITM-MJVKXCJRSA-N	0	1	627.568	8.892	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cc(OC)c(OC)c(OC)c4)[C@@H]3c3ccccc3Cl)C2)cc1	ZINC000098003644	554055828	/nfs/dbraw/zinc/05/58/28/554055828.db2.gz	XAVGEGVDXFOCSG-GMWXTNTRSA-N	0	1	625.121	7.589	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000098046421	554138641	/nfs/dbraw/zinc/13/86/41/554138641.db2.gz	JYQUKYTWDWPACZ-MHZLTWQESA-N	0	1	647.775	6.818	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000098046448	554138882	/nfs/dbraw/zinc/13/88/82/554138882.db2.gz	RWADBTBLJYDAJW-HHHXNRCGSA-N	0	1	617.749	6.809	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000098046446	554138954	/nfs/dbraw/zinc/13/89/54/554138954.db2.gz	UWIOTSMTBNZJGQ-RUZDIDTESA-N	0	1	575.687	6.931	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000098046441	554139025	/nfs/dbraw/zinc/13/90/25/554139025.db2.gz	VRLKEJUDBJXTGW-VWLOTQADSA-N	0	1	592.142	7.446	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000098046476	554139444	/nfs/dbraw/zinc/13/94/44/554139444.db2.gz	PJRXDMCHOQGXSN-MUUNZHRXSA-N	0	1	634.223	8.569	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(F)c2)cc1	ZINC000098046465	554139471	/nfs/dbraw/zinc/13/94/71/554139471.db2.gz	UDWFTYBFHIJQSP-VWLOTQADSA-N	0	1	610.132	7.585	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000098046487	554139790	/nfs/dbraw/zinc/13/97/90/554139790.db2.gz	BHSWADAYPFUYAB-VWLOTQADSA-N	0	1	610.132	7.585	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F	ZINC000098046512	554139897	/nfs/dbraw/zinc/13/98/97/554139897.db2.gz	UBERUCBECIRDFP-UUWRZZSWSA-N	0	1	719.816	8.502	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(F)c2)cc1	ZINC000098046489	554139929	/nfs/dbraw/zinc/13/99/29/554139929.db2.gz	OUQOFPSDJZHCRF-VWLOTQADSA-N	0	1	593.677	7.070	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F	ZINC000098046515	554140189	/nfs/dbraw/zinc/14/01/89/554140189.db2.gz	MUWOEAFZDYTSRQ-XIFFEERXSA-N	0	1	689.790	8.493	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H]1c1ccccc1	ZINC000098046533	554140218	/nfs/dbraw/zinc/14/02/18/554140218.db2.gz	CYDPTUQBZATDPX-HSZRJFAPSA-N	0	1	560.056	7.013	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000098046613	554141575	/nfs/dbraw/zinc/14/15/75/554141575.db2.gz	DYQYLAWTNSIDDT-VWLOTQADSA-N	0	1	563.031	6.293	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000098046606	554141602	/nfs/dbraw/zinc/14/16/02/554141602.db2.gz	LDIRBSHYRDEFTB-WJOKGBTCSA-N	0	1	665.793	7.717	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000098046635	554142033	/nfs/dbraw/zinc/14/20/33/554142033.db2.gz	KFNCXUVETPSIQY-HXUWFJFHSA-N	0	1	585.132	6.349	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(F)cc2)nc1C	ZINC000098046679	554142255	/nfs/dbraw/zinc/14/22/55/554142255.db2.gz	GFVGAYVZBXPFDZ-AREMUKBSSA-N	0	1	556.615	6.464	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3cccs3)cc2)c1	ZINC000098046694	554142314	/nfs/dbraw/zinc/14/23/14/554142314.db2.gz	BNOGQYXQNXVPLQ-HKBQPEDESA-N	0	1	661.830	8.715	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(Br)cc2)s1	ZINC000098046688	554142397	/nfs/dbraw/zinc/14/23/97/554142397.db2.gz	VBTAZKLZFPNRGT-DEOSSOPVSA-N	0	1	576.472	6.279	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccs3)cc2)c1	ZINC000098046691	554142437	/nfs/dbraw/zinc/14/24/37/554142437.db2.gz	DJYYNCKXJGUTJD-HHHXNRCGSA-N	0	1	629.760	7.701	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000098046844	554143991	/nfs/dbraw/zinc/14/39/91/554143991.db2.gz	SEHPMFUPYZCRGY-JOCHJYFZSA-N	0	1	584.506	6.929	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccnc3)s2)cc1	ZINC000098046839	554144093	/nfs/dbraw/zinc/14/40/93/554144093.db2.gz	OYVCLBXXSYSBLJ-NRFANRHFSA-N	0	1	535.050	5.970	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O	ZINC000098047227	554147925	/nfs/dbraw/zinc/14/79/25/554147925.db2.gz	HHCCRBNIIYFGEB-HHHXNRCGSA-N	0	1	613.692	6.928	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F	ZINC000098047252	554148495	/nfs/dbraw/zinc/14/84/95/554148495.db2.gz	JHTXQQZOFZFUEC-HKBQPEDESA-N	0	1	683.783	7.657	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC	ZINC000098047284	554148766	/nfs/dbraw/zinc/14/87/66/554148766.db2.gz	BFOOZKOCHZIXNQ-VWLOTQADSA-N	0	1	564.660	6.023	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccccc2)cc1	ZINC000098047291	554148870	/nfs/dbraw/zinc/14/88/70/554148870.db2.gz	AMHBIZMLTJHBLX-RUZDIDTESA-N	0	1	575.687	6.931	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047319	554149299	/nfs/dbraw/zinc/14/92/99/554149299.db2.gz	MIDRSQXRZLUJEJ-WJOKGBTCSA-N	0	1	667.809	7.963	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O	ZINC000098047303	554149320	/nfs/dbraw/zinc/14/93/20/554149320.db2.gz	XAUWZAGFBMSTPL-MUUNZHRXSA-N	0	1	641.727	6.498	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047320	554149365	/nfs/dbraw/zinc/14/93/65/554149365.db2.gz	MIDRSQXRZLUJEJ-HKBQPEDESA-N	0	1	667.809	7.963	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000098047355	554149660	/nfs/dbraw/zinc/14/96/60/554149660.db2.gz	BTUNLMXEQCCSDI-SANMLTNESA-N	0	1	622.168	7.454	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccnc2)cc1	ZINC000098047336	554149685	/nfs/dbraw/zinc/14/96/85/554149685.db2.gz	DZRXDZCNOZGFGQ-XMMPIXPASA-N	0	1	576.675	6.326	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccccc2)cc1	ZINC000098047376	554150170	/nfs/dbraw/zinc/15/01/70/554150170.db2.gz	KQVVRADDHXGCDY-RUZDIDTESA-N	0	1	557.697	6.792	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCC)c(C)c3)[C@H]2c2ccccc2F)nc1C	ZINC000098047436	554150867	/nfs/dbraw/zinc/15/08/67/554150867.db2.gz	AHYSEZJPKNJQPG-HSZRJFAPSA-N	0	1	550.608	5.814	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCC)c(C)c3)[C@@H]2c2ccccc2F)nc1C	ZINC000098047437	554150920	/nfs/dbraw/zinc/15/09/20/554150920.db2.gz	AHYSEZJPKNJQPG-QHCPKHFHSA-N	0	1	550.608	5.814	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000098047426	554150999	/nfs/dbraw/zinc/15/09/99/554150999.db2.gz	OADQZZKAYRLKLA-SSEXGKCCSA-N	0	1	661.821	8.500	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000098047494	554151688	/nfs/dbraw/zinc/15/16/88/554151688.db2.gz	VKQWAFYUEOPINN-NDEPHWFRSA-N	0	1	649.766	7.339	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000098047537	554152204	/nfs/dbraw/zinc/15/22/04/554152204.db2.gz	VBDBPEGGKXEZRN-MHZLTWQESA-N	0	1	682.220	7.471	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1	ZINC000098047529	554152330	/nfs/dbraw/zinc/15/23/30/554152330.db2.gz	OFXCZIGOWHBDKZ-PMERELPUSA-N	0	1	664.821	7.804	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1	ZINC000098047589	554153144	/nfs/dbraw/zinc/15/31/44/554153144.db2.gz	XDHWVLQDDAYRJA-WJOKGBTCSA-N	0	1	708.302	9.023	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000098047603	554153637	/nfs/dbraw/zinc/15/36/37/554153637.db2.gz	FZTGGSADZSMBOO-MUUNZHRXSA-N	0	1	661.802	7.126	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000098047616	554153677	/nfs/dbraw/zinc/15/36/77/554153677.db2.gz	YVIVCGZVCFXDEV-VWLOTQADSA-N	0	1	593.677	7.070	50	30		KKEAMN
CCCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OC	ZINC000098047635	554153959	/nfs/dbraw/zinc/15/39/59/554153959.db2.gz	CSAOKGVDCGQIPS-MGBGTMOVSA-N	0	1	719.901	9.289	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C	ZINC000098047659	554153979	/nfs/dbraw/zinc/15/39/79/554153979.db2.gz	STRUDZQVDCIZJQ-GDLZYMKVSA-N	0	1	648.778	7.334	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2cccc(F)c2)cc1	ZINC000098047661	554154466	/nfs/dbraw/zinc/15/44/66/554154466.db2.gz	PBBXXUPRHCKDOF-RUZDIDTESA-N	0	1	610.132	7.585	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000098047693	554154533	/nfs/dbraw/zinc/15/45/33/554154533.db2.gz	ZWACZXUBVKRNEH-RUZDIDTESA-N	0	1	602.694	6.700	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047713	554155072	/nfs/dbraw/zinc/15/50/72/554155072.db2.gz	IMUACJDCDWPGHH-GDLZYMKVSA-N	0	1	639.730	7.479	50	30		KKEAMN
CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047743	554155450	/nfs/dbraw/zinc/15/54/50/554155450.db2.gz	DFWIALPNXZDINP-MUUNZHRXSA-N	0	1	611.720	7.477	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(Br)cc2)cc1OC	ZINC000098047766	554155837	/nfs/dbraw/zinc/15/58/37/554155837.db2.gz	YJCFYJJCCXHLKF-MHZLTWQESA-N	0	1	674.598	7.546	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1OC	ZINC000098047809	554156151	/nfs/dbraw/zinc/15/61/51/554156151.db2.gz	SJGNNKGEGCXORP-UUWRZZSWSA-N	0	1	701.826	8.363	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccs2)cc1OC	ZINC000098047856	554157037	/nfs/dbraw/zinc/15/70/37/554157037.db2.gz	ZUPDUKMJXVVJIK-VWLOTQADSA-N	0	1	601.731	6.845	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(Cl)cc2)cc1F	ZINC000098047903	554157272	/nfs/dbraw/zinc/15/72/72/554157272.db2.gz	XJQSANLZXQUXJS-AREMUKBSSA-N	0	1	602.112	7.867	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000098047892	554157316	/nfs/dbraw/zinc/15/73/16/554157316.db2.gz	BADJKFCGQCSIHM-VWLOTQADSA-N	0	1	599.621	5.817	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccnc2)cc1F	ZINC000098047920	554157730	/nfs/dbraw/zinc/15/77/30/554157730.db2.gz	BMWNNZGJURYUGW-VWLOTQADSA-N	0	1	568.655	6.609	50	30		KKEAMN
CO[C@H]1CC([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)=CCC1=O	ZINC000098047980	554158284	/nfs/dbraw/zinc/15/82/84/554158284.db2.gz	SNHNMELEUNXBRP-FXAWDEMLSA-N	0	1	539.660	5.089	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)ccc1O	ZINC000098048012	554158412	/nfs/dbraw/zinc/15/84/12/554158412.db2.gz	MUUKNVUYNRZTPB-AREMUKBSSA-N	0	1	542.613	5.918	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCCC1	ZINC000100025161	554183294	/nfs/dbraw/zinc/18/32/94/554183294.db2.gz	MFIWLQLLWGTGKD-OPEKNORGSA-N	0	1	506.160	6.677	50	30		KKEAMN
COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)Nc1ccc(Cl)cc1	ZINC000100052796	554195107	/nfs/dbraw/zinc/19/51/07/554195107.db2.gz	PGPUJUYHRXGRHJ-HZAQMHFWSA-N	0	1	540.019	7.548	50	30		KKEAMN
COc1ccccc1[C@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)Nc1ccc(Cl)cc1	ZINC000100052801	554195169	/nfs/dbraw/zinc/19/51/69/554195169.db2.gz	PGPUJUYHRXGRHJ-QTEAWJPNSA-N	0	1	540.019	7.548	50	30		KKEAMN
COc1ccccc1[C@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)Nc1ccc(Cl)cc1	ZINC000100052793	554195171	/nfs/dbraw/zinc/19/51/71/554195171.db2.gz	PGPUJUYHRXGRHJ-ADSBAMQRSA-N	0	1	540.019	7.548	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)C2)cc1OC	ZINC000100110070	554221195	/nfs/dbraw/zinc/22/11/95/554221195.db2.gz	GMYVIMNYUQORLQ-QPRSDEFVSA-N	0	1	601.659	7.226	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)C2)cc1OC	ZINC000100110079	554221238	/nfs/dbraw/zinc/22/12/38/554221238.db2.gz	GMYVIMNYUQORLQ-FIZZJZAHSA-N	0	1	601.659	7.226	50	30		KKEAMN
CCCCCCCCCCCCCCCCCC(=O)NC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC	ZINC000038143154	554265419	/nfs/dbraw/zinc/26/54/19/554265419.db2.gz	KTJPWDKOKGANNX-SANMLTNESA-O	0	1	537.743	6.219	50	30	in-vitro	KKEAMN
CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC	ZINC000043352736	554298376	/nfs/dbraw/zinc/29/83/76/554298376.db2.gz	MLKLDGSYMHFAOC-AREMUKBSSA-O	0	1	566.737	6.563	50	30	in-vitro	KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	ZINC000053306012	554333159	/nfs/dbraw/zinc/33/31/59/554333159.db2.gz	WKKFGKWBGNWVIW-UMSFTDKQSA-N	0	1	552.715	7.998	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000053306038	554333287	/nfs/dbraw/zinc/33/32/87/554333287.db2.gz	WMCIQIAIJPBRHJ-FQEVSTJZSA-N	0	1	561.443	6.035	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1	ZINC000053307319	554334970	/nfs/dbraw/zinc/33/49/70/554334970.db2.gz	UEWVPLYATWSAPW-QFIPXVFZSA-N	0	1	519.966	6.258	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000053307658	554335052	/nfs/dbraw/zinc/33/50/52/554335052.db2.gz	GLAKJDHFEJCFEJ-JOCHJYFZSA-N	0	1	525.413	6.785	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)cc1	ZINC000053308032	554335368	/nfs/dbraw/zinc/33/53/68/554335368.db2.gz	RIPKKAHNVKIWPU-JOCHJYFZSA-N	0	1	525.399	5.916	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000053319219	554336655	/nfs/dbraw/zinc/33/66/55/554336655.db2.gz	HFNLPKIVWLUQSK-JOCHJYFZSA-N	0	1	535.419	6.240	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1	ZINC000053319275	554336857	/nfs/dbraw/zinc/33/68/57/554336857.db2.gz	GPKIBOUVZHBJKU-FQEVSTJZSA-N	0	1	526.343	5.426	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2c2nnc(C)s2)ccc1O	ZINC000053319434	554337838	/nfs/dbraw/zinc/33/78/38/554337838.db2.gz	VYQOMMAJMRTHAE-VWLOTQADSA-N	0	1	543.601	5.231	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C	ZINC000053319481	554338367	/nfs/dbraw/zinc/33/83/67/554338367.db2.gz	UNGHTZTZEGODCR-OAQYLSRUSA-N	0	1	551.577	5.025	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000053332888	554339327	/nfs/dbraw/zinc/33/93/27/554339327.db2.gz	BCXKJKDPMIIDIU-MQNRADLISA-N	0	1	547.032	6.455	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC	ZINC000053334163	554340170	/nfs/dbraw/zinc/34/01/70/554340170.db2.gz	JJHBEKJZBAITEQ-XMMPIXPASA-N	0	1	595.029	5.530	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000053334844	554340213	/nfs/dbraw/zinc/34/02/13/554340213.db2.gz	RBUXLOJJJWVURK-HSZRJFAPSA-N	0	1	565.445	6.167	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000053335084	554340565	/nfs/dbraw/zinc/34/05/65/554340565.db2.gz	YGTDKUJUBKRPCM-HKBQPEDESA-N	0	1	563.606	5.824	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC	ZINC000053334872	554340677	/nfs/dbraw/zinc/34/06/77/554340677.db2.gz	FBPLCFWUZIQWGS-PWECECGKSA-N	0	1	593.057	6.082	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1	ZINC000053335191	554340742	/nfs/dbraw/zinc/34/07/42/554340742.db2.gz	QRUCWGBDRFNKLQ-ZLOXQWCVSA-N	0	1	565.420	6.304	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000053335132	554340762	/nfs/dbraw/zinc/34/07/62/554340762.db2.gz	UXNXECJAXBITRD-QHCPKHFHSA-N	0	1	562.987	5.290	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000053336023	554341516	/nfs/dbraw/zinc/34/15/16/554341516.db2.gz	BTXOEIXWXPHJRF-VWLOTQADSA-N	0	1	561.015	6.069	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000053336478	554341705	/nfs/dbraw/zinc/34/17/05/554341705.db2.gz	DURRCBRGTBIONN-SHACYNPGSA-N	0	1	577.456	6.174	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000053337171	554342118	/nfs/dbraw/zinc/34/21/18/554342118.db2.gz	PLOGEIUYRZOVGW-JOCHJYFZSA-N	0	1	573.841	6.811	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)c(OC)c1	ZINC000053338016	554342383	/nfs/dbraw/zinc/34/23/83/554342383.db2.gz	IDGLNFINIHJRHM-JOCHJYFZSA-N	0	1	541.398	5.535	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)c(OC)c1	ZINC000053338012	554342505	/nfs/dbraw/zinc/34/25/05/554342505.db2.gz	IDGLNFINIHJRHM-QFIPXVFZSA-N	0	1	541.398	5.535	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000053337781	554342522	/nfs/dbraw/zinc/34/25/22/554342522.db2.gz	RMGZZLLWMXSHGH-XMMPIXPASA-N	0	1	583.449	6.556	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000053338358	554342686	/nfs/dbraw/zinc/34/26/86/554342686.db2.gz	PQBQJRXTCXAMDG-FQEVSTJZSA-N	0	1	558.182	5.903	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000053339168	554343096	/nfs/dbraw/zinc/34/30/96/554343096.db2.gz	IMQXVDFAEYSWIE-UXCMTWRGSA-N	0	1	578.753	8.252	50	30		KKEAMN
CCNC(=S)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	ZINC000053339406	554343584	/nfs/dbraw/zinc/34/35/84/554343584.db2.gz	MWGLRRBODNUVTG-WJOKGBTCSA-N	0	1	590.189	7.829	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000053339748	554343919	/nfs/dbraw/zinc/34/39/19/554343919.db2.gz	XNIGJGAWZCGMHS-NRFANRHFSA-N	0	1	539.382	5.989	50	30		KKEAMN
CC(C)(C)c1ccc(O)c(/N=C/c2cc(I)cc(I)c2O)c1	ZINC000100368518	554354460	/nfs/dbraw/zinc/35/44/60/554354460.db2.gz	NEUFTQDIGCJOID-AWQFTUOYSA-N	0	1	521.136	5.355	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1	ZINC000100454528	554395651	/nfs/dbraw/zinc/39/56/51/554395651.db2.gz	VEXZJACTADLPES-WGARJPEWSA-N	0	1	524.216	6.487	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc([N+](=O)[O-])c1O	ZINC000059595960	554408603	/nfs/dbraw/zinc/40/86/03/554408603.db2.gz	QTJIQAZNCSNGEQ-HFJWLAOPSA-N	0	1	530.533	5.007	50	30		KKEAMN
COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)n2)c1	ZINC000059616909	554413010	/nfs/dbraw/zinc/41/30/10/554413010.db2.gz	IPYUQNFMCNDEEB-UHFFFAOYSA-N	0	1	537.601	6.018	50	30		KKEAMN
CCN(CC)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2ccc(F)cc2)cc1	ZINC000100668529	554440459	/nfs/dbraw/zinc/44/04/59/554440459.db2.gz	YYVLATHVNYNJOY-URNDWHGUSA-N	0	1	559.685	7.886	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000100677317	554444730	/nfs/dbraw/zinc/44/47/30/554444730.db2.gz	QUVIUIJPRNAAHF-QHCPKHFHSA-N	0	1	550.633	5.599	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1OC	ZINC000100678358	554444989	/nfs/dbraw/zinc/44/49/89/554444989.db2.gz	CZYJWNRGPUWWBJ-LJAQVGFWSA-N	0	1	536.584	5.456	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCCC)c(OC)c2)cc1	ZINC000100677767	554444996	/nfs/dbraw/zinc/44/49/96/554444996.db2.gz	IGEXOAORPFQNFF-SANMLTNESA-N	0	1	608.713	6.387	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000100678373	554445067	/nfs/dbraw/zinc/44/50/67/554445067.db2.gz	JTWGXPOVFVLUBZ-HHHXNRCGSA-N	0	1	532.593	5.065	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC	ZINC000100679942	554446038	/nfs/dbraw/zinc/44/60/38/554446038.db2.gz	GPHVIAZOOPJJOW-SANMLTNESA-N	0	1	606.697	6.163	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000100679966	554446140	/nfs/dbraw/zinc/44/61/40/554446140.db2.gz	VNFHOLGWEJBYNR-NDEPHWFRSA-N	0	1	612.704	7.382	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC	ZINC000100679929	554446191	/nfs/dbraw/zinc/44/61/91/554446191.db2.gz	RNWKDQAOGXNEBQ-MUUNZHRXSA-N	0	1	636.767	7.168	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCC)cc2)cc1	ZINC000100680297	554446311	/nfs/dbraw/zinc/44/63/11/554446311.db2.gz	DYHKJSMVLKHGAG-RUZDIDTESA-N	0	1	578.687	6.379	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000100680354	554446551	/nfs/dbraw/zinc/44/65/51/554446551.db2.gz	HTBDVYSNJINQDJ-QHCPKHFHSA-N	0	1	550.608	5.895	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000100680696	554446674	/nfs/dbraw/zinc/44/66/74/554446674.db2.gz	XOTKHTWPLMAYDV-OAQYLSRUSA-N	0	1	541.025	5.853	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(O)c(OCC)c2)nc1C	ZINC000100680679	554446709	/nfs/dbraw/zinc/44/67/09/554446709.db2.gz	FWEPEOVLKCMWGL-VWLOTQADSA-N	0	1	592.670	5.860	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000100680999	554446718	/nfs/dbraw/zinc/44/67/18/554446718.db2.gz	QKAMEWXTXKWXST-LJQANCHMSA-N	0	1	559.413	5.621	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccccc2)nc1C	ZINC000100681006	554447206	/nfs/dbraw/zinc/44/72/06/554447206.db2.gz	OSPOFSSSJOXANJ-QHCPKHFHSA-N	0	1	532.618	5.756	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000100681200	554447591	/nfs/dbraw/zinc/44/75/91/554447591.db2.gz	UXBLYKJFFKLMDY-ABYGYWHVSA-N	0	1	551.680	6.056	50	30		KKEAMN
CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C/C=C/c2ccccc2)CC1	ZINC000100692958	554450146	/nfs/dbraw/zinc/45/01/46/554450146.db2.gz	WMBAZZALXUPHRU-SAPNQHFASA-N	0	1	519.737	7.406	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)c(C)c1	ZINC000100736779	554461240	/nfs/dbraw/zinc/46/12/40/554461240.db2.gz	UHDUAXGXKMJFAF-NRFANRHFSA-N	0	1	541.025	5.772	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@@H]3c2ccc(F)cc2)cc1	ZINC000100871502	554499594	/nfs/dbraw/zinc/49/95/94/554499594.db2.gz	KRCFDUGKKXMFQO-VNYPMVQGSA-N	0	1	544.626	7.448	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@@H]3c2ccc(F)cc2)cc1	ZINC000100871500	554499641	/nfs/dbraw/zinc/49/96/41/554499641.db2.gz	KRCFDUGKKXMFQO-WWCBJALISA-N	0	1	544.626	7.448	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccccc2Cl)no1	ZINC000101062663	554570627	/nfs/dbraw/zinc/57/06/27/554570627.db2.gz	FMLJJOKGFCAXID-NHFXJNLRSA-N	0	1	515.791	6.014	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)o1	ZINC000101069864	554574454	/nfs/dbraw/zinc/57/44/54/554574454.db2.gz	SMIIQULQUUOUTA-LFVOPCPISA-N	0	1	513.344	5.726	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000101069942	554574613	/nfs/dbraw/zinc/57/46/13/554574613.db2.gz	NWNQWXHPGZIJCY-NHFXJNLRSA-N	0	1	502.286	6.094	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Br)cc3s2)[C@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000101072816	554576623	/nfs/dbraw/zinc/57/66/23/554576623.db2.gz	KFGQBQRKMSZQGW-NHFXJNLRSA-N	0	1	570.262	6.448	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(Br)c1)c1ccc(F)cc1	ZINC000101100218	554587139	/nfs/dbraw/zinc/58/71/39/554587139.db2.gz	QXRLGRPRXXSOIQ-NHFXJNLRSA-N	0	1	527.346	5.963	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Br)c1	ZINC000101101137	554588065	/nfs/dbraw/zinc/58/80/65/554588065.db2.gz	VICIDITZSZLAQX-WGGXKBPPSA-N	0	1	605.529	5.481	50	30		KKEAMN
O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc(Br)c1	ZINC000101101551	554638859	/nfs/dbraw/zinc/63/88/59/554638859.db2.gz	LDIZEPZCYOWGRB-SELCWUDQSA-N	0	1	515.385	5.886	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000101277372	554703540	/nfs/dbraw/zinc/70/35/40/554703540.db2.gz	DMHIXOCMQRRWGH-SBXHHDGASA-N	0	1	578.643	5.145	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(F)cc2)nc1C	ZINC000101277942	554704162	/nfs/dbraw/zinc/70/41/62/554704162.db2.gz	GYSLBCUTRVVMTG-UUALVTFQSA-N	0	1	598.652	6.447	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(Br)c2)nc1C	ZINC000101278205	554704767	/nfs/dbraw/zinc/70/47/67/554704767.db2.gz	SVXBLDUZODXGHK-MRJHHRETSA-N	0	1	583.460	5.500	50	30		KKEAMN
COc1cc(OC)c([C@@H]2c3c(n[nH]c3-c3ccc(Br)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000101293942	554710361	/nfs/dbraw/zinc/71/03/61/554710361.db2.gz	ODLWXGGPACJERK-QFIPXVFZSA-N	0	1	538.442	6.066	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000101310213	554717001	/nfs/dbraw/zinc/71/70/01/554717001.db2.gz	CSDLTQKYWIWAJG-DNNDWWBDSA-N	0	1	525.601	5.595	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000101310198	554717094	/nfs/dbraw/zinc/71/70/94/554717094.db2.gz	VGWOQQFMNLPLFT-GSYBUTJLSA-N	0	1	539.628	5.638	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000101347442	554737678	/nfs/dbraw/zinc/73/76/78/554737678.db2.gz	LVLWDQYQRYTGAH-BZQUYTCOSA-N	0	1	557.584	5.710	50	30		KKEAMN
COc1ccc(OC)c([C@H](CNc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)N2CCCCC2)c1	ZINC000101360995	554742542	/nfs/dbraw/zinc/74/25/42/554742542.db2.gz	YUTYNKJKSPJELI-LJAQVGFWSA-N	0	1	573.093	7.102	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000102076762	554875170	/nfs/dbraw/zinc/87/51/70/554875170.db2.gz	HINXIMGUQRQBTO-DFXXOVSGSA-N	0	1	513.590	5.505	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nnc(C)s2)ccc1O	ZINC000102175788	554892314	/nfs/dbraw/zinc/89/23/14/554892314.db2.gz	XPXUFOMOANETTO-SANMLTNESA-N	0	1	557.628	5.621	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C	ZINC000102175492	554892317	/nfs/dbraw/zinc/89/23/17/554892317.db2.gz	CVBNTNSUQSBGKA-WGGXKBPPSA-N	0	1	528.649	5.805	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000102482201	554937356	/nfs/dbraw/zinc/93/73/56/554937356.db2.gz	ASIDBJZYENHVAF-QJGFIUGVSA-N	0	1	545.632	6.049	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000102482884	554937399	/nfs/dbraw/zinc/93/73/99/554937399.db2.gz	SMYPQYOMLIECNM-WYNCGZBVSA-N	0	1	528.605	5.214	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000102491878	554939294	/nfs/dbraw/zinc/93/92/94/554939294.db2.gz	AXPFYEWZKZTJND-SZYGQJGOSA-N	0	1	600.712	5.125	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000102491868	554939381	/nfs/dbraw/zinc/93/93/81/554939381.db2.gz	AXPFYEWZKZTJND-KFLIVHAJSA-N	0	1	600.712	5.125	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000102502542	554943770	/nfs/dbraw/zinc/94/37/70/554943770.db2.gz	PQIDZPZJRUINRS-HOGKFDNTSA-N	0	1	555.052	6.004	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Cl)c2)cc1Cl	ZINC000102507960	554945224	/nfs/dbraw/zinc/94/52/24/554945224.db2.gz	HROKQQDCPQZYMV-MOBKVPTQSA-N	0	1	500.382	5.101	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102511083	554946155	/nfs/dbraw/zinc/94/61/55/554946155.db2.gz	SIWCFDGZEIPOHC-AYWGPLOBSA-N	0	1	504.539	5.469	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000102511378	554946168	/nfs/dbraw/zinc/94/61/68/554946168.db2.gz	DGSMMBFXUXDZHG-JBCNATCCSA-N	0	1	520.588	5.169	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccc3OC)sc2c1	ZINC000102512483	554946761	/nfs/dbraw/zinc/94/67/61/554946761.db2.gz	YMZPRRQSUGVFFL-AYWGPLOBSA-N	0	1	520.994	5.983	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102513158	554946983	/nfs/dbraw/zinc/94/69/83/554946983.db2.gz	PEKOSTQMVCLJQZ-DZTJFIFISA-N	0	1	513.590	5.429	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCOC)cc1OC	ZINC000102514504	554947641	/nfs/dbraw/zinc/94/76/41/554947641.db2.gz	FMPNKBXCSZWBOU-MIOXIQPJSA-N	0	1	545.632	5.440	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1	ZINC000102519152	554949320	/nfs/dbraw/zinc/94/93/20/554949320.db2.gz	JBVXFGAPAAZEOO-ASBZNUFUSA-N	0	1	515.443	6.908	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000102521410	554949618	/nfs/dbraw/zinc/94/96/18/554949618.db2.gz	UGLWKISDPAKAFI-GOBJLOIFSA-N	0	1	502.832	5.893	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3OC)sc2c1	ZINC000102521442	554949649	/nfs/dbraw/zinc/94/96/49/554949649.db2.gz	YWAQSWVWZOQZJS-HOGKFDNTSA-N	0	1	506.967	5.593	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1	ZINC000102520475	554949715	/nfs/dbraw/zinc/94/97/15/554949715.db2.gz	BVMBPVKAIIZGMI-IAMBOQNYSA-N	0	1	503.511	5.587	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000102522336	554949916	/nfs/dbraw/zinc/94/99/16/554949916.db2.gz	HTCUVWXXKZJUKT-NXLSWJSLSA-N	0	1	518.566	5.859	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl	ZINC000102529899	554953474	/nfs/dbraw/zinc/95/34/74/554953474.db2.gz	FMXTZSCKNSSJGD-JBCNATCCSA-N	0	1	514.987	5.065	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Br)c2)cc1Cl	ZINC000102532469	554954361	/nfs/dbraw/zinc/95/43/61/554954361.db2.gz	ZMJWDWWDHBXDTB-HOGKFDNTSA-N	0	1	544.833	5.210	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000102533596	554954833	/nfs/dbraw/zinc/95/48/33/554954833.db2.gz	IZKBPPGLCPMLBM-NSOCNUKWSA-N	0	1	517.578	5.412	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000102535453	554955388	/nfs/dbraw/zinc/95/53/88/554955388.db2.gz	KYZBGBZPQQZZMD-DFXXOVSGSA-N	0	1	561.631	5.058	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102538168	554956266	/nfs/dbraw/zinc/95/62/66/554956266.db2.gz	GNMUWXMXPVVHRQ-AYWGPLOBSA-N	0	1	565.445	6.092	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000102539262	554956784	/nfs/dbraw/zinc/95/67/84/554956784.db2.gz	PIGPILCLNHLEQL-CJJGVWJISA-N	0	1	539.459	5.864	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000102543452	554958089	/nfs/dbraw/zinc/95/80/89/554958089.db2.gz	HFQSXWBNDKCOLU-ZHHPLPSFSA-N	0	1	520.538	5.088	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000102544958	554958797	/nfs/dbraw/zinc/95/87/97/554958797.db2.gz	SKTQMKMYCHQCCF-SZYGQJGOSA-N	0	1	577.633	5.710	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000102549335	554961007	/nfs/dbraw/zinc/96/10/07/554961007.db2.gz	IABWBCMZBFEZJH-MNOIWJKESA-N	0	1	627.788	7.267	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000102557462	554965259	/nfs/dbraw/zinc/96/52/59/554965259.db2.gz	BXBOPXKYVOKMOI-QOISPNJLSA-N	0	1	525.645	6.243	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000102558069	554965628	/nfs/dbraw/zinc/96/56/28/554965628.db2.gz	WBYWHIBBVMKTGF-WTPDXTQDSA-N	0	1	571.869	7.206	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC	ZINC000102558607	554965850	/nfs/dbraw/zinc/96/58/50/554965850.db2.gz	QHEKTAGIIFEHHU-MIOXIQPJSA-N	0	1	616.692	6.280	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1	ZINC000102559071	554966417	/nfs/dbraw/zinc/96/64/17/554966417.db2.gz	KZJNLWQAQIJUTQ-NXLSWJSLSA-N	0	1	542.573	5.268	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1	ZINC000102561312	554968258	/nfs/dbraw/zinc/96/82/58/554968258.db2.gz	GKFCYGSISOMEGX-LLAWDOGUSA-N	0	1	569.639	5.384	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(OC)cc2OC)cc1	ZINC000102574901	554971328	/nfs/dbraw/zinc/97/13/28/554971328.db2.gz	NPXZIRYZKYQURH-ZHHPLPSFSA-N	0	1	513.468	5.358	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1	ZINC000102586096	554973200	/nfs/dbraw/zinc/97/32/00/554973200.db2.gz	LAEVDSQBUHLKGT-VEZPTTSMSA-N	0	1	521.717	8.729	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000102599017	554977503	/nfs/dbraw/zinc/97/75/03/554977503.db2.gz	ZDHNJQJDHCTYJO-NPJIAGGLSA-N	0	1	587.679	5.545	50	30		KKEAMN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000102607181	554979840	/nfs/dbraw/zinc/97/98/40/554979840.db2.gz	QLZAZYCRLSAQCF-CZNAVJSXSA-N	0	1	585.707	6.351	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)c1	ZINC000102611787	554981668	/nfs/dbraw/zinc/98/16/68/554981668.db2.gz	YJDFPBYARIURRS-ONQGDUAMSA-N	0	1	514.578	5.044	50	30		KKEAMN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000102613413	554982854	/nfs/dbraw/zinc/98/28/54/554982854.db2.gz	VANZAGWJSKULGX-MOBKVPTQSA-N	0	1	540.797	5.906	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccnc2)cc1	ZINC000102614258	554984014	/nfs/dbraw/zinc/98/40/14/554984014.db2.gz	AYCJFSPMBOYRJO-JBCNATCCSA-N	0	1	500.605	5.160	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2	ZINC000102618006	554985255	/nfs/dbraw/zinc/98/52/55/554985255.db2.gz	GZTAKLYNCQFNEE-ZHHPLPSFSA-N	0	1	594.070	5.587	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000102619616	554986004	/nfs/dbraw/zinc/98/60/04/554986004.db2.gz	JLVZFHXBCIKDAN-SBXHHDGASA-N	0	1	601.662	5.015	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000102624128	554987655	/nfs/dbraw/zinc/98/76/55/554987655.db2.gz	LBMAEEKTBSEYBT-AYWGPLOBSA-N	0	1	612.516	6.535	50	30		KKEAMN
O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000102627172	554988259	/nfs/dbraw/zinc/98/82/59/554988259.db2.gz	SQMXMQUZELFKBI-AYWGPLOBSA-N	0	1	596.061	6.020	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000102627172	554988260	/nfs/dbraw/zinc/98/82/60/554988260.db2.gz	SQMXMQUZELFKBI-AYWGPLOBSA-N	0	1	596.061	6.020	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2c2nnc(C)s2)c1	ZINC000102644818	554991664	/nfs/dbraw/zinc/99/16/64/554991664.db2.gz	UAZDRRZARBCXJA-NPJIAGGLSA-N	0	1	527.602	5.369	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102645474	554991958	/nfs/dbraw/zinc/99/19/58/554991958.db2.gz	PEKOSTQMVCLJQZ-VMFRQMAUSA-N	0	1	513.590	5.429	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1OCC	ZINC000102649707	554995118	/nfs/dbraw/zinc/99/51/18/554995118.db2.gz	KAVDMLRTYUTWSR-MXGWOCHPSA-N	0	1	592.733	5.122	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000102650040	554995275	/nfs/dbraw/zinc/99/52/75/554995275.db2.gz	FTRJYXWMXGRAKY-DNNDWWBDSA-N	0	1	545.632	6.193	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000102652347	554996522	/nfs/dbraw/zinc/99/65/22/554996522.db2.gz	IHLGVABHKNTKTQ-BBHOXHGRSA-N	0	1	577.634	6.058	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000102652981	554996825	/nfs/dbraw/zinc/99/68/25/554996825.db2.gz	WONYJSPSLHICTQ-NEMSTITPSA-N	0	1	599.690	5.567	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102654059	554997765	/nfs/dbraw/zinc/99/77/65/554997765.db2.gz	OBDJIKCBQWKQNK-AYWGPLOBSA-N	0	1	579.428	5.465	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000102654869	554998098	/nfs/dbraw/zinc/99/80/98/554998098.db2.gz	ITVQGEYQNUMPBG-XCSSDTEYSA-N	0	1	585.707	6.097	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102677759	555004293	/nfs/dbraw/zinc/00/42/93/555004293.db2.gz	NLEDXEDYSGBOAT-KNZGKXHUSA-N	0	1	543.557	5.163	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000102689794	555007728	/nfs/dbraw/zinc/00/77/28/555007728.db2.gz	HINTWEKXFNTSDE-AHPONGEQSA-N	0	1	549.752	8.304	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102693991	555009513	/nfs/dbraw/zinc/00/95/13/555009513.db2.gz	HUYQVKHYDUMYNB-YDJIHCHBSA-N	0	1	509.381	5.841	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccco2)cc1	ZINC000102698262	555012182	/nfs/dbraw/zinc/01/21/82/555012182.db2.gz	KEJYOAKKHMJGBW-DFXXOVSGSA-N	0	1	537.568	5.576	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000102699490	555012447	/nfs/dbraw/zinc/01/24/47/555012447.db2.gz	MQBPSGPFEVWMAG-CZNAVJSXSA-N	0	1	505.998	5.686	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000102707232	555015362	/nfs/dbraw/zinc/01/53/62/555015362.db2.gz	RQIKTIDMWOWPJX-DFXXOVSGSA-N	0	1	509.558	5.798	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1	ZINC000102711731	555016703	/nfs/dbraw/zinc/01/67/03/555016703.db2.gz	YIPYHMUQTPHCSU-AHPONGEQSA-N	0	1	549.671	6.406	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102715979	555018586	/nfs/dbraw/zinc/01/85/86/555018586.db2.gz	GUNMZNGXYWSPOT-MOBKVPTQSA-N	0	1	537.410	6.387	50	30		KKEAMN
CCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1	ZINC000102722208	555020406	/nfs/dbraw/zinc/02/04/06/555020406.db2.gz	MKUNYHIAHIKVBM-IDZRBWSNSA-N	0	1	528.649	6.486	50	30		KKEAMN
CCCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1	ZINC000102724126	555021073	/nfs/dbraw/zinc/02/10/73/555021073.db2.gz	CEDHVXMBSQRJTQ-IDZRBWSNSA-N	0	1	512.650	6.785	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102729132	555023040	/nfs/dbraw/zinc/02/30/40/555023040.db2.gz	RTFMBJQPAHNVRN-MRJHHRETSA-N	0	1	523.408	6.149	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1	ZINC000102736934	555026513	/nfs/dbraw/zinc/02/65/13/555026513.db2.gz	FGDSXLUFVPIPLJ-XLNMUAQOSA-N	0	1	547.976	5.808	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000102770775	555058004	/nfs/dbraw/zinc/05/80/04/555058004.db2.gz	XBCYGHQJRDOKSI-NMSSPVSYSA-N	0	1	512.393	5.025	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1	ZINC000102771227	555059738	/nfs/dbraw/zinc/05/97/38/555059738.db2.gz	AWOWEVPRKZHZJE-FECHNCLXSA-N	0	1	581.875	6.662	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1	ZINC000102771230	555059743	/nfs/dbraw/zinc/05/97/43/555059743.db2.gz	AWOWEVPRKZHZJE-XLNMUAQOSA-N	0	1	581.875	6.662	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1	ZINC000102771228	555059751	/nfs/dbraw/zinc/05/97/51/555059751.db2.gz	AWOWEVPRKZHZJE-YMCWBSDSSA-N	0	1	581.875	6.662	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1	ZINC000102771225	555059760	/nfs/dbraw/zinc/05/97/60/555059760.db2.gz	AWOWEVPRKZHZJE-KYWXLPDZSA-N	0	1	581.875	6.662	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000102771460	555060311	/nfs/dbraw/zinc/06/03/11/555060311.db2.gz	OMHTWCZUVRDPNT-CIKQMSCWSA-N	0	1	559.644	5.919	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)s2)cc1	ZINC000102771450	555060429	/nfs/dbraw/zinc/06/04/29/555060429.db2.gz	NNQBECOHYBXCFG-IIHDFJPDSA-N	0	1	573.671	6.228	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000102771458	555060442	/nfs/dbraw/zinc/06/04/42/555060442.db2.gz	OMHTWCZUVRDPNT-SOIUSXPSSA-N	0	1	559.644	5.919	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCOC)ccc1OCc1ccccc1	ZINC000102857725	555088780	/nfs/dbraw/zinc/08/87/80/555088780.db2.gz	AULHMKWAYYUZSM-QBCYBHDASA-N	0	1	543.616	5.056	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000102857567	555088791	/nfs/dbraw/zinc/08/87/91/555088791.db2.gz	XTIMGDZFAIIJQR-NPJIAGGLSA-N	0	1	501.539	5.099	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1ccc(C#N)cc1	ZINC000102857689	555088795	/nfs/dbraw/zinc/08/87/95/555088795.db2.gz	HAVLFYOPVNKRDV-QNLPTKCRSA-N	0	1	507.609	7.828	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000102859258	555089695	/nfs/dbraw/zinc/08/96/95/555089695.db2.gz	YSGAQSHBVFVYGW-UTNKIGIFSA-N	0	1	589.688	6.652	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000102860738	555090895	/nfs/dbraw/zinc/09/08/95/555090895.db2.gz	HIXFWJHGZHTPQD-MOBKVPTQSA-N	0	1	538.528	5.227	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102861857	555091894	/nfs/dbraw/zinc/09/18/94/555091894.db2.gz	MIAJJMMYMMMJHS-AYWGPLOBSA-N	0	1	531.546	5.238	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Br)cc2)cc1Cl	ZINC000102862995	555092950	/nfs/dbraw/zinc/09/29/50/555092950.db2.gz	JXSWATBLUHLBDL-MOBKVPTQSA-N	0	1	544.833	5.210	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000102863428	555093281	/nfs/dbraw/zinc/09/32/81/555093281.db2.gz	HAMUZUFPOMNCCY-NHFXJNLRSA-N	0	1	561.443	5.878	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000102863428	555093283	/nfs/dbraw/zinc/09/32/83/555093283.db2.gz	HAMUZUFPOMNCCY-NHFXJNLRSA-N	0	1	561.443	5.878	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000102865400	555094827	/nfs/dbraw/zinc/09/48/27/555094827.db2.gz	AYQCGZJEZLEEAM-HOGKFDNTSA-N	0	1	522.604	5.400	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(OC)c2OC)cc1Cl	ZINC000102866172	555095562	/nfs/dbraw/zinc/09/55/62/555095562.db2.gz	DHUNMJDUVGDAGT-YDJIHCHBSA-N	0	1	514.987	5.065	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C	ZINC000102866916	555096402	/nfs/dbraw/zinc/09/64/02/555096402.db2.gz	AZDTWPKWAJTXBC-NHFXJNLRSA-N	0	1	508.596	5.453	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)cc1C	ZINC000102868204	555097564	/nfs/dbraw/zinc/09/75/64/555097564.db2.gz	YFIDOCGIUBQSPN-MOBKVPTQSA-N	0	1	555.052	6.005	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102868645	555097896	/nfs/dbraw/zinc/09/78/96/555097896.db2.gz	NWJIVEYCBFEERE-GSYBUTJLSA-N	0	1	541.644	5.862	50	30		KKEAMN
CCCCCCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1	ZINC000102868547	555097929	/nfs/dbraw/zinc/09/79/29/555097929.db2.gz	JKDKXOHPUDDMIF-NLDZOOGBSA-N	0	1	567.513	7.784	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000102869811	555099551	/nfs/dbraw/zinc/09/95/51/555099551.db2.gz	WBBIIJQFWQLFFX-TVXPFAQOSA-N	0	1	603.697	6.318	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102869676	555099570	/nfs/dbraw/zinc/09/95/70/555099570.db2.gz	WKBVHZAVEIJZDT-FSISNWKMSA-N	0	1	577.456	6.017	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000102870335	555100434	/nfs/dbraw/zinc/10/04/34/555100434.db2.gz	ALLZZIQAGJZKAE-DFXXOVSGSA-N	0	1	621.111	6.925	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000102872754	555103147	/nfs/dbraw/zinc/10/31/47/555103147.db2.gz	XPBLJQYQKAZHAE-NXLSWJSLSA-N	0	1	534.565	5.478	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000102872509	555103235	/nfs/dbraw/zinc/10/32/35/555103235.db2.gz	RYNNIQKWYFHBBY-MNOIWJKESA-N	0	1	511.618	5.853	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C	ZINC000102874652	555104852	/nfs/dbraw/zinc/10/48/52/555104852.db2.gz	LWGOVKPVVNITFD-CZNAVJSXSA-N	0	1	561.506	5.625	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000102875191	555105235	/nfs/dbraw/zinc/10/52/35/555105235.db2.gz	YNFCWIWTHXVRDG-NHFXJNLRSA-N	0	1	513.384	5.148	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000102879026	555108112	/nfs/dbraw/zinc/10/81/12/555108112.db2.gz	YADCUVYPBSLMSZ-HOGKFDNTSA-N	0	1	552.630	5.409	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000102880015	555108995	/nfs/dbraw/zinc/10/89/95/555108995.db2.gz	XXVXMAIWSWJSPK-ZHHPLPSFSA-N	0	1	520.994	5.983	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000102881458	555110067	/nfs/dbraw/zinc/11/00/67/555110067.db2.gz	CIOLPXJGDCJMBR-AYWGPLOBSA-N	0	1	550.564	5.096	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000102883137	555111269	/nfs/dbraw/zinc/11/12/69/555111269.db2.gz	JHZFMQZQKOCJDZ-ZHHPLPSFSA-N	0	1	536.993	5.602	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102883605	555112131	/nfs/dbraw/zinc/11/21/31/555112131.db2.gz	XQEZSZIYNQWNBL-JBCNATCCSA-N	0	1	529.376	6.377	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102883736	555112273	/nfs/dbraw/zinc/11/22/73/555112273.db2.gz	MEORUSPHMAHIQN-MOBKVPTQSA-N	0	1	535.965	5.883	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccs2)s1	ZINC000102884621	555113894	/nfs/dbraw/zinc/11/38/94/555113894.db2.gz	VYJGSBGMONSYPA-HOGKFDNTSA-N	0	1	503.605	5.422	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102885767	555116136	/nfs/dbraw/zinc/11/61/36/555116136.db2.gz	SZFDJMDUYRACEC-ZHHPLPSFSA-N	0	1	565.445	6.011	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102885764	555116146	/nfs/dbraw/zinc/11/61/46/555116146.db2.gz	SZFDJMDUYRACEC-AYWGPLOBSA-N	0	1	565.445	6.011	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000102887142	555118145	/nfs/dbraw/zinc/11/81/45/555118145.db2.gz	NYLLOEADLPERFC-AMKIGSDESA-N	0	1	603.697	6.318	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C	ZINC000102887215	555118667	/nfs/dbraw/zinc/11/86/67/555118667.db2.gz	GOMDOQUDRZSUSY-UUALVTFQSA-N	0	1	614.676	5.856	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2ccncc2)cc1OC	ZINC000102887737	555119846	/nfs/dbraw/zinc/11/98/46/555119846.db2.gz	JJPVBLYHLVSBHB-VEZPTTSMSA-N	0	1	550.611	5.608	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000102889385	555123466	/nfs/dbraw/zinc/12/34/66/555123466.db2.gz	TXISKOCCAGBZAZ-GROYHEBESA-N	0	1	503.363	5.171	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000102889307	555123483	/nfs/dbraw/zinc/12/34/83/555123483.db2.gz	RCMYYDQKANRILW-FWOIGAHVSA-N	0	1	576.602	5.411	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102890352	555125624	/nfs/dbraw/zinc/12/56/24/555125624.db2.gz	DSHCOBGEDNIMMA-NXLSWJSLSA-N	0	1	593.455	5.855	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000102891018	555126513	/nfs/dbraw/zinc/12/65/13/555126513.db2.gz	UXSHLOMFHSHFCR-WGGXKBPPSA-N	0	1	537.616	5.291	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000102891303	555127213	/nfs/dbraw/zinc/12/72/13/555127213.db2.gz	QKLRINVSLZGETP-ZORLYMSLSA-N	0	1	568.198	9.252	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000102892299	555128366	/nfs/dbraw/zinc/12/83/66/555128366.db2.gz	KDUYQVHBPUCGQU-QMMFTLRZSA-N	0	1	557.643	5.556	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102892715	555129037	/nfs/dbraw/zinc/12/90/37/555129037.db2.gz	YXHABXSFOQDFLG-GMBUILNLSA-N	0	1	544.560	5.172	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102893777	555131571	/nfs/dbraw/zinc/13/15/71/555131571.db2.gz	HCYKITXKKVQGDS-ZAOVDLIJSA-N	0	1	569.698	6.642	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102894571	555132448	/nfs/dbraw/zinc/13/24/48/555132448.db2.gz	OJGCSHQZMQWPKO-XCSSDTEYSA-N	0	1	585.707	6.179	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC	ZINC000102895009	555133583	/nfs/dbraw/zinc/13/35/83/555133583.db2.gz	FEPCSFCJEGRKRB-UUALVTFQSA-N	0	1	607.084	6.535	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000102895423	555134428	/nfs/dbraw/zinc/13/44/28/555134428.db2.gz	FQQGDAFKVHBLNE-ROBPHKHBSA-N	0	1	620.724	6.156	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000102897063	555137178	/nfs/dbraw/zinc/13/71/78/555137178.db2.gz	ZHSFQIIDEAFQJI-MWCANZRFSA-N	0	1	571.680	5.789	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC	ZINC000102896911	555137193	/nfs/dbraw/zinc/13/71/93/555137193.db2.gz	SDZPHNYHAHRVTA-WGGXKBPPSA-N	0	1	616.692	6.280	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C	ZINC000102897277	555137600	/nfs/dbraw/zinc/13/76/00/555137600.db2.gz	JOTNUOQTBSJQTD-NXLSWJSLSA-N	0	1	578.643	5.061	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1	ZINC000102898179	555138269	/nfs/dbraw/zinc/13/82/69/555138269.db2.gz	PXVOAOIZUIXCAX-ZORLYMSLSA-N	0	1	547.607	5.701	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000102899749	555139473	/nfs/dbraw/zinc/13/94/73/555139473.db2.gz	WAIVTKKLHZDKHX-CJJGVWJISA-N	0	1	622.696	5.603	50	30		KKEAMN
COc1ccc(C=C2CCCc3c2nc2ccccc2c3C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)cc1OC	ZINC000102910080	555142449	/nfs/dbraw/zinc/14/24/49/555142449.db2.gz	CIFOATLTLCTFQL-BXDIUNCMSA-N	0	1	553.640	5.927	50	30		KKEAMN
COc1ccc(C=C2CCCc3c2nc2ccccc2c3C(=O)OCC(=O)C(C#N)c2nc(C)cs2)cc1OC	ZINC000102910080	555142452	/nfs/dbraw/zinc/14/24/52/555142452.db2.gz	CIFOATLTLCTFQL-BXDIUNCMSA-N	0	1	553.640	5.927	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000102926402	555150914	/nfs/dbraw/zinc/15/09/14/555150914.db2.gz	BUMXOSGYXHBSSE-ONQGDUAMSA-N	0	1	516.594	5.064	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000102928246	555153610	/nfs/dbraw/zinc/15/36/10/555153610.db2.gz	VNTQTRXAAIXOAQ-AYWGPLOBSA-N	0	1	520.538	5.088	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc(Br)c1O	ZINC000102929276	555155011	/nfs/dbraw/zinc/15/50/11/555155011.db2.gz	FRPLFMHWVWRSEH-OGHRCCBNSA-N	0	1	564.432	5.151	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000102929315	555155075	/nfs/dbraw/zinc/15/50/75/555155075.db2.gz	UVBZQBPLRATORX-ZHHPLPSFSA-N	0	1	520.994	5.983	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102929819	555155801	/nfs/dbraw/zinc/15/58/01/555155801.db2.gz	UPFIRFUEHBPYDT-CZNAVJSXSA-N	0	1	501.627	5.481	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000102929803	555155850	/nfs/dbraw/zinc/15/58/50/555155850.db2.gz	PRRDEDAHGJPFTO-ONQGDUAMSA-N	0	1	516.594	5.208	50	30		KKEAMN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102930846	555158012	/nfs/dbraw/zinc/15/80/12/555158012.db2.gz	ZJLSAINQNGEGIU-RKKARLDVSA-N	0	1	506.898	5.051	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102931541	555159163	/nfs/dbraw/zinc/15/91/63/555159163.db2.gz	PLANNKKPWJPESB-MRJHHRETSA-N	0	1	505.508	5.131	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1	ZINC000103002833	555201962	/nfs/dbraw/zinc/20/19/62/555201962.db2.gz	TXMAZWHALCGUEL-ZORLYMSLSA-N	0	1	533.753	8.598	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C	ZINC000103143700	555311936	/nfs/dbraw/zinc/31/19/36/555311936.db2.gz	SEUAVXIIPSFEFK-ZHHPLPSFSA-N	0	1	506.426	5.939	50	30		KKEAMN
CCN1CCN(c2c(CN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1	ZINC000103201896	555337552	/nfs/dbraw/zinc/33/75/52/555337552.db2.gz	NXPXKVMDBFBHHB-UHFFFAOYSA-N	0	1	597.579	6.304	50	30		KKEAMN
O=C(N1CCN2CCC[C@H]2C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000103549110	555442274	/nfs/dbraw/zinc/44/22/74/555442274.db2.gz	BEERVHFOVIPLKZ-ZETCQYMHSA-N	0	1	572.259	5.302	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000103929014	571370108	/nfs/dbraw/zinc/37/01/08/571370108.db2.gz	VMUUTVRLRWITNF-NHFXJNLRSA-N	0	1	561.443	5.878	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000104175916	571376027	/nfs/dbraw/zinc/37/60/27/571376027.db2.gz	VZBUWFLVMDFBSO-TXTDGAROSA-N	0	1	515.606	6.034	50	30		KKEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000104197991	571376721	/nfs/dbraw/zinc/37/67/21/571376721.db2.gz	LDKSJWWMRFEGBO-TXTDGAROSA-N	0	1	515.606	5.890	50	30		KKEAMN
Oc1cc2ccccc2cc1-c1nc2cc(/N=C/c3cc(I)cc(I)c3O)ccc2o1	ZINC000150353363	571462687	/nfs/dbraw/zinc/46/26/87/571462687.db2.gz	MFIITTNIUCNVDU-KKMKTNMSSA-N	0	1	632.195	7.019	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000150391956	571474304	/nfs/dbraw/zinc/47/43/04/571474304.db2.gz	DLKSEEIAABETHR-CJJGVWJISA-N	0	1	647.547	6.904	50	30		KKEAMN
CCCC(=O)C1=C(Nc2ccc(-c3ccc(NC4=C(C(=O)CCC)C(O)=C(C(=O)OC)C(C)(C)C4)cc3)cc2)CC(C)(C)[C@H](C(=O)OC)C1=O	ZINC000150415245	571485305	/nfs/dbraw/zinc/48/53/05/571485305.db2.gz	ZGAUELUAJGRJHL-HEVIKAOCSA-N	0	1	684.830	7.000	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000150422218	571488225	/nfs/dbraw/zinc/48/82/25/571488225.db2.gz	VYDIZMCIRGAMGG-QMMFTLRZSA-N	0	1	667.740	6.946	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C	ZINC000150424447	571489206	/nfs/dbraw/zinc/48/92/06/571489206.db2.gz	ALNMPYLJCQPDIK-VEZPTTSMSA-N	0	1	708.258	7.705	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000150426551	571490919	/nfs/dbraw/zinc/49/09/19/571490919.db2.gz	GLFTVGYGNRKUDZ-JFTLGNCFSA-N	0	1	668.580	6.874	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000150426663	571490988	/nfs/dbraw/zinc/49/09/88/571490988.db2.gz	YOZWDEBXMQWRAT-DFXXOVSGSA-N	0	1	651.722	6.168	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000150427658	571491728	/nfs/dbraw/zinc/49/17/28/571491728.db2.gz	QSUZWZDAXVEFJU-MIOXIQPJSA-N	0	1	642.730	6.549	50	30		KKEAMN
CCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC	ZINC000150431425	571493708	/nfs/dbraw/zinc/49/37/08/571493708.db2.gz	WWVUDFZEXNEXHX-GDLZYMKVSA-N	0	1	650.794	7.558	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000150432751	571494380	/nfs/dbraw/zinc/49/43/80/571494380.db2.gz	WHMAPQRSNPEHTO-AREMUKBSSA-N	0	1	638.739	6.252	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000150435110	571495235	/nfs/dbraw/zinc/49/52/35/571495235.db2.gz	BLRVCSUIXHTBPP-NDEPHWFRSA-N	0	1	627.694	7.992	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1	ZINC000150435527	571495424	/nfs/dbraw/zinc/49/54/24/571495424.db2.gz	LOSQQCCTQRVVIX-HTDBSKDNSA-N	0	1	709.821	7.897	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1	ZINC000150435465	571495555	/nfs/dbraw/zinc/49/55/55/571495555.db2.gz	WCLVVDIDEIZFQI-MFWFGDGVSA-N	0	1	705.858	8.066	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1	ZINC000150435777	571495869	/nfs/dbraw/zinc/49/58/69/571495869.db2.gz	LWLVQFIHHWNNKH-RJIUIVJKSA-N	0	1	707.830	7.514	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC	ZINC000150438527	571497102	/nfs/dbraw/zinc/49/71/02/571497102.db2.gz	JMDYYXMNXJJJTR-GDLZYMKVSA-N	0	1	692.844	8.216	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1	ZINC000150439908	571497686	/nfs/dbraw/zinc/49/76/86/571497686.db2.gz	VYFRXGUGTUNNRV-DNPZSINUSA-N	0	1	726.276	8.411	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1	ZINC000150440072	571497815	/nfs/dbraw/zinc/49/78/15/571497815.db2.gz	IXWKXDUJSMOLAL-JOZOHXTNSA-N	0	1	709.821	7.897	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1	ZINC000150440078	571497885	/nfs/dbraw/zinc/49/78/85/571497885.db2.gz	UYEXYXJSTSWRPN-KFLIVHAJSA-N	0	1	711.793	7.345	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000150445391	571500354	/nfs/dbraw/zinc/50/03/54/571500354.db2.gz	YYLBGXYSIQNAHO-DFXXOVSGSA-N	0	1	658.729	6.168	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000150445735	571500653	/nfs/dbraw/zinc/50/06/53/571500653.db2.gz	QXFMDUZJAZNDKG-LOOKCOSASA-N	0	1	631.751	7.098	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000150447008	571501154	/nfs/dbraw/zinc/50/11/54/571501154.db2.gz	NKFKFDCYWHCXMT-RUZDIDTESA-N	0	1	638.123	6.618	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000150451026	571502679	/nfs/dbraw/zinc/50/26/79/571502679.db2.gz	ZCRUSCGXIHJYEY-AHPONGEQSA-N	0	1	646.721	7.544	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150457079	571504703	/nfs/dbraw/zinc/50/47/03/571504703.db2.gz	LWZQMYQLJRPHKJ-LHKMDIPOSA-N	0	1	659.761	6.883	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150457709	571505010	/nfs/dbraw/zinc/50/50/10/571505010.db2.gz	MKHIVYJSBDUFCO-VGZNNGDKSA-N	0	1	692.259	8.011	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)s2)cc1	ZINC000150460620	571506068	/nfs/dbraw/zinc/50/60/68/571506068.db2.gz	JKLBPGVAZJASOH-QOISPNJLSA-N	0	1	641.815	7.513	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000150460647	571506081	/nfs/dbraw/zinc/50/60/81/571506081.db2.gz	LXHVFFQYHQIHKY-KARVHLFVSA-N	0	1	707.874	8.511	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000150461442	571506308	/nfs/dbraw/zinc/50/63/08/571506308.db2.gz	NWBXBFHSXWCVNY-DZTJFIFISA-N	0	1	631.751	7.098	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150462768	571506701	/nfs/dbraw/zinc/50/67/01/571506701.db2.gz	RXELSXPDPPZQLN-RIEKNRFYSA-N	0	1	682.223	8.013	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000150462750	571506765	/nfs/dbraw/zinc/50/67/65/571506765.db2.gz	MBJLCGGBLNTLAV-RIEKNRFYSA-N	0	1	706.286	8.401	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150463641	571507224	/nfs/dbraw/zinc/50/72/24/571507224.db2.gz	JURGPKJLMVEWAT-NSOCNUKWSA-N	0	1	634.179	7.222	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150463644	571507267	/nfs/dbraw/zinc/50/72/67/571507267.db2.gz	JURGPKJLMVEWAT-ROBPHKHBSA-N	0	1	634.179	7.222	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150465557	571507917	/nfs/dbraw/zinc/50/79/17/571507917.db2.gz	LSQFNIMMUNAZDD-JNYBUSFRSA-N	0	1	706.286	8.401	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150465545	571507924	/nfs/dbraw/zinc/50/79/24/571507924.db2.gz	LSQFNIMMUNAZDD-RIEKNRFYSA-N	0	1	706.286	8.401	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150468000	571508251	/nfs/dbraw/zinc/50/82/51/571508251.db2.gz	XAOSUQCKQWYDON-KFLIVHAJSA-N	0	1	679.820	7.950	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150471581	571509498	/nfs/dbraw/zinc/50/94/98/571509498.db2.gz	VETUPAJPKBPDAA-TXTDGAROSA-N	0	1	664.205	7.306	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000150471838	571509688	/nfs/dbraw/zinc/50/96/88/571509688.db2.gz	POCQPKNZSQCEOR-VEZPTTSMSA-N	0	1	708.258	7.849	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150472464	571510039	/nfs/dbraw/zinc/51/00/39/571510039.db2.gz	DEXMIHRCJXSOCU-ONQGDUAMSA-N	0	1	650.178	7.060	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000150472919	571510164	/nfs/dbraw/zinc/51/01/64/571510164.db2.gz	OWWMOXSWGKUWEZ-UUALVTFQSA-N	0	1	633.723	6.546	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150474500	571510535	/nfs/dbraw/zinc/51/05/35/571510535.db2.gz	RIFRTGGQCDRODE-VEZPTTSMSA-N	0	1	691.803	7.335	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000150475678	571510676	/nfs/dbraw/zinc/51/06/76/571510676.db2.gz	WCWFRLJDUFKFJF-DFXXOVSGSA-N	0	1	663.749	6.555	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150475096	571510709	/nfs/dbraw/zinc/51/07/09/571510709.db2.gz	KWDAQVVVVWFOET-DFXXOVSGSA-N	0	1	645.759	6.415	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150481369	571512529	/nfs/dbraw/zinc/51/25/29/571512529.db2.gz	IKCPSXMSZSRKNV-IKZPYDRGSA-N	0	1	668.624	7.876	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000150483087	571513848	/nfs/dbraw/zinc/51/38/48/571513848.db2.gz	GCMDYJPZUKJBDF-VEZPTTSMSA-N	0	1	742.703	8.502	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000150486612	571516599	/nfs/dbraw/zinc/51/65/99/571516599.db2.gz	IIGAALXFVCEBDG-MIOXIQPJSA-N	0	1	643.787	7.105	50	30		KKEAMN
N=C1O[C@H](c2ccc([C@@H]3OC(=N)C(=NNc4ccccc4)C3N=Nc3ccccc3)cc2)C(NNc2ccccc2)=C1N=Nc1ccccc1	ZINC000261493121	572111423	/nfs/dbraw/zinc/11/14/23/572111423.db2.gz	HCBZHEUGOSKSSC-BVWQVHFJSA-N	0	1	660.742	7.656	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@H](Cc3nc4ccccc4[nH]3)c3ccc(F)cc3)C1=O)O2	ZINC000263585308	572117582	/nfs/dbraw/zinc/11/75/82/572117582.db2.gz	HEBGSGPIICTNNX-BOKWSFGISA-N	0	1	581.600	5.158	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@H](Cc3nc4ccccc4[nH]3)c3ccc(Cl)cc3)C1=O)O2	ZINC000263585894	572120976	/nfs/dbraw/zinc/12/09/76/572120976.db2.gz	NQJDRHFYXFAQSM-BOKWSFGISA-N	0	1	598.055	5.672	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(C(=O)c4ccco4)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000299804369	572138606	/nfs/dbraw/zinc/13/86/06/572138606.db2.gz	XVAWGFCFDLSSRP-MHZLTWQESA-N	0	1	538.556	5.091	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C[C@H]2CCCO2)cc1	ZINC000238900773	572189142	/nfs/dbraw/zinc/18/91/42/572189142.db2.gz	JWAWBNWTSUPJDF-RMQVNJIYSA-N	0	1	505.611	5.336	50	30		KKEAMN
CCc1ccccc1N=C1S/C(=C\c2cc(Cl)cc(Br)c2O)C(=O)N1c1ccccc1CC	ZINC000252589156	572266542	/nfs/dbraw/zinc/26/65/42/572266542.db2.gz	AHPGMKISSRQKEL-YLOHPIGASA-N	0	1	541.898	7.742	50	30		KKEAMN
CCc1ccccc1N=C1S/C(=C/c2cc(Cl)cc(Br)c2O)C(=O)N1c1ccccc1CC	ZINC000252589157	572266556	/nfs/dbraw/zinc/26/65/56/572266556.db2.gz	AHPGMKISSRQKEL-ZHXICNOMSA-N	0	1	541.898	7.742	50	30		KKEAMN
Oc1c(I)cc(I)cc1C=Nc1ccc(-c2nc3c(ccc4ccccc34)o2)cc1	ZINC000252591378	572266695	/nfs/dbraw/zinc/26/66/95/572266695.db2.gz	BATJRTKVRNJLLT-UHFFFAOYSA-N	0	1	616.196	7.313	50	30		KKEAMN
CCc1ccccc1N=C1S/C(=C/c2cc(Br)cc(Br)c2O)C(=O)N1c1ccccc1CC	ZINC000252619470	572269277	/nfs/dbraw/zinc/26/92/77/572269277.db2.gz	LQESSZXYFUMSCO-ZHXICNOMSA-N	0	1	586.349	7.851	50	30		KKEAMN
Oc1c(I)cc(I)cc1C=Nc1ccc2oc(-c3ccccc3)nc2c1	ZINC000252643536	572272531	/nfs/dbraw/zinc/27/25/31/572272531.db2.gz	ZVPMLOJXPSBFHB-UHFFFAOYSA-N	0	1	566.136	6.160	50	30		KKEAMN
COc1ccc([C@@H](CNC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)c2c[nH]c3ccccc32)cc1	ZINC000253400904	572285130	/nfs/dbraw/zinc/28/51/30/572285130.db2.gz	FFDWFYKAHJNHCB-VCORQIIBSA-N	0	1	592.648	5.480	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@H](c3ccc(Cl)cc3)C(C)C)C1=O)O2	ZINC000253414407	572288893	/nfs/dbraw/zinc/28/88/93/572288893.db2.gz	XKFANHBDNWFFMU-YLAGVEECSA-N	0	1	538.040	5.642	50	30		KKEAMN
CCCCCCCCCCCCCCCCCOC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(C)=O	ZINC000102188937	717145550	/nfs/dbraw/zinc/14/55/50/717145550.db2.gz	NKQXYSXRVZRIRI-HHHXNRCGSA-O	0	1	538.727	6.646	50	30		KKEAMN
CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC	ZINC000102188133	717145562	/nfs/dbraw/zinc/14/55/62/717145562.db2.gz	YCHNJZJVKCSKTN-MUUNZHRXSA-O	0	1	594.791	7.343	50	30		KKEAMN
CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCC	ZINC000058638458	1069680119	/nfs/dbraw/zinc/68/01/19/1069680119.db2.gz	KKOSJVWUOHEQKA-HSZRJFAPSA-N	0	1	523.648	5.815	50	30	in-vitro	KKEAMN
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2cccc(-c3n[nH]c(-c4ccccn4)n3)c2)C[C@H]1C	ZINC000524729465	1069827108	/nfs/dbraw/zinc/82/71/08/1069827108.db2.gz	VBYSTEQOPVRSKO-HOLBHBGLSA-N	0	1	557.994	5.123	50	30		KKEAMN
COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C=C(Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)C[C@@H]1C	ZINC000888088730	1071056294	/nfs/dbraw/zinc/05/62/94/1071056294.db2.gz	OJLKJYVLORBCQI-ZWWSHJBASA-N	0	1	523.973	5.004	50	30		KKEAMN
C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccc(OC)c(O)c4)oc-3c21	ZINC000217874543	1071292948	/nfs/dbraw/zinc/29/29/48/1071292948.db2.gz	CXSDZJAIUFOBNK-GOSISDBHSA-N	0	1	500.503	5.276	50	30	biogenic	KKEAMN
CCCCC1SC(=NN=Cc2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)NC1=O	ZINC000003168290	1071342280	/nfs/dbraw/zinc/34/22/80/1071342280.db2.gz	NLXIOAWIIPAEFW-QGZVFWFLSA-N	0	1	589.331	5.091	50	30		KKEAMN
CCCCCCCC1S/C(=N/N=Cc2ccc(OS(=O)(=O)c3ccc(C(C)(C)C)cc3)c(OC)c2)NC1=O	ZINC000252487535	1072834571	/nfs/dbraw/zinc/83/45/71/1072834571.db2.gz	YVGWJOFYABFFGC-RUZDIDTESA-N	0	1	559.754	6.042	50	30		KKEAMN
CCCCC1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)NC1=O	ZINC000252581828	1072835081	/nfs/dbraw/zinc/83/50/81/1072835081.db2.gz	NLXIOAWIIPAEFW-KRWDZBQOSA-N	0	1	589.331	5.091	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000097969602	1072836351	/nfs/dbraw/zinc/83/63/51/1072836351.db2.gz	BRFMEESECJSUOT-YTTGMZPUSA-N	0	1	563.779	8.769	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000097999819	1072842018	/nfs/dbraw/zinc/84/20/18/1072842018.db2.gz	IPKYEGBPJCQQCX-CZTRJMPPSA-N	0	1	610.795	8.491	50	30		KKEAMN
COc1ccccc1NS(=O)(=O)c1cc(N=Cc2ccc(C(C)(C)C)cc2)ccc1N1CCOCC1	ZINC000254494507	1072859109	/nfs/dbraw/zinc/85/91/09/1072859109.db2.gz	VPMVESXXVYKXFC-UHFFFAOYSA-N	0	1	507.656	5.381	50	30		KKEAMN
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	ZINC000000658506	551514669	/nfs/dbraw/zinc/51/46/69/551514669.db2.gz	TXLQROMLRQAQOV-LQKURTRISA-N	0	1	550.615	5.515	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000000702932	551529858	/nfs/dbraw/zinc/52/98/58/551529858.db2.gz	QMQFVLSPXSPSLS-HXUWFJFHSA-N	0	1	527.385	6.490	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000000703084	551530283	/nfs/dbraw/zinc/53/02/83/551530283.db2.gz	BSWBDNYVVBLDHW-GDJIYFAZSA-N	0	1	531.605	5.815	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(F)cc3)sc2c1	ZINC000000703137	551530760	/nfs/dbraw/zinc/53/07/60/551530760.db2.gz	PZLLSQDSCDPDGB-XMMPIXPASA-N	0	1	514.534	6.363	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3N=C3CC(C)(C)CC(=O)C3[C@@H]2c2cccc(Br)c2)cc(OC)c1OC	ZINC000000717280	551534823	/nfs/dbraw/zinc/53/48/23/551534823.db2.gz	DCWZEKFNWCQOFD-NDEPHWFRSA-N	0	1	591.502	6.932	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1OC	ZINC000000867317	551553351	/nfs/dbraw/zinc/55/33/51/551553351.db2.gz	AKWOXFZBZVQYNZ-PUAOIOHZSA-N	0	1	512.484	5.760	50	30		KKEAMN
COc1cc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc(OC)c1OC	ZINC000000985922	551592516	/nfs/dbraw/zinc/59/25/16/551592516.db2.gz	UCEDUESVBAWLLV-GDJIYFAZSA-N	0	1	566.576	6.484	50	30		KKEAMN
CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000001003447	551596023	/nfs/dbraw/zinc/59/60/23/551596023.db2.gz	WKKKBWRMORZDQH-WHLCRQNOSA-N	0	1	501.970	6.559	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccc(F)cc4)C3)[C@@H]2c2cccs2)cc(OC)c1OC	ZINC000001249974	551632187	/nfs/dbraw/zinc/63/21/87/551632187.db2.gz	RDRFTBIJDMJKOY-GEFUHLBYSA-N	0	1	584.669	7.127	50	30		KKEAMN
Cc1ccc2c(c1)N(C(=O)c1cccs1)[C@H](c1ccc(F)cc1)C1C(=O)C[C@H](c3ccccc3)CC1=N2	ZINC000001268897	551634431	/nfs/dbraw/zinc/63/44/31/551634431.db2.gz	OTKRUQXKDGIMET-YKGWIAGDSA-N	0	1	508.618	7.410	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000001299045	551637919	/nfs/dbraw/zinc/63/79/19/551637919.db2.gz	WQOXGCDAFJMLJU-UKPGIYTDSA-N	0	1	554.643	6.032	50	30		KKEAMN
COc1cc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC	ZINC000001323129	551642103	/nfs/dbraw/zinc/64/21/03/551642103.db2.gz	LWEDEMYOOUAYRQ-JCOAXYOVSA-N	0	1	550.611	6.520	50	30	biogenic	KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(O)c(OCC)c2)cc1	ZINC000001411053	551664760	/nfs/dbraw/zinc/66/47/60/551664760.db2.gz	CYDXQDDUXOYYGK-NDEPHWFRSA-N	0	1	526.589	5.492	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@@H]3c2cccs2)cc1OC	ZINC000001413004	551665100	/nfs/dbraw/zinc/66/51/00/551665100.db2.gz	VWOKZVKSFMFPDN-ADXZGYQBSA-N	0	1	542.682	7.041	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@H]3c2cccs2)cc1OC	ZINC000001413006	551665162	/nfs/dbraw/zinc/66/51/62/551665162.db2.gz	VWOKZVKSFMFPDN-SLQAJWMNSA-N	0	1	542.682	7.041	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O	ZINC000001413430	551665460	/nfs/dbraw/zinc/66/54/60/551665460.db2.gz	NQSMLHNNPDUBIM-VWLOTQADSA-N	0	1	547.405	5.466	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccc1)c1ccc(Br)cc1	ZINC000001413409	551665504	/nfs/dbraw/zinc/66/55/04/551665504.db2.gz	URJIABDBVUHERS-XMMPIXPASA-N	0	1	501.380	5.751	50	30		KKEAMN
COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000001438539	551671962	/nfs/dbraw/zinc/67/19/62/551671962.db2.gz	LGVMKRCPRKZIIN-CBZJRKILSA-N	0	1	548.592	5.165	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c(C)[nH]c4ccccc43)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000001444425	551673737	/nfs/dbraw/zinc/67/37/37/551673737.db2.gz	TUNBFMGKZAXXRR-AREMUKBSSA-N	0	1	500.982	5.959	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c(C)[nH]c4ccccc43)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000001444424	551673834	/nfs/dbraw/zinc/67/38/34/551673834.db2.gz	TUNBFMGKZAXXRR-SANMLTNESA-N	0	1	500.982	5.959	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000001450212	551675176	/nfs/dbraw/zinc/67/51/76/551675176.db2.gz	ZZLNEZNJEGZHQZ-HXUWFJFHSA-N	0	1	525.380	5.833	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000001451686	551676357	/nfs/dbraw/zinc/67/63/57/551676357.db2.gz	XADQUDKOVRVWSH-DEOSSOPVSA-N	0	1	564.591	5.643	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000001451684	551676408	/nfs/dbraw/zinc/67/64/08/551676408.db2.gz	QJLWBUDECCDTNM-DEOSSOPVSA-N	0	1	534.565	5.634	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000001451972	551676447	/nfs/dbraw/zinc/67/64/47/551676447.db2.gz	WIYCXKMBRPSIAF-FQEVSTJZSA-N	0	1	525.380	5.833	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000001451973	551676479	/nfs/dbraw/zinc/67/64/79/551676479.db2.gz	WIYCXKMBRPSIAF-HXUWFJFHSA-N	0	1	525.380	5.833	50	30		KKEAMN
COc1cccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1	ZINC000001453804	551676498	/nfs/dbraw/zinc/67/64/98/551676498.db2.gz	KTRGCDSVAHFQKF-ZWVRTZEQSA-N	0	1	590.676	6.935	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1	ZINC000001458865	551677284	/nfs/dbraw/zinc/67/72/84/551677284.db2.gz	LWOGOHBSVIGFHK-JPQMRUPTSA-N	0	1	594.689	6.766	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000001479907	551681266	/nfs/dbraw/zinc/68/12/66/551681266.db2.gz	SNIQVJVQMGPYOZ-DEOSSOPVSA-N	0	1	544.585	5.273	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Br)c2)o1	ZINC000001479960	551681557	/nfs/dbraw/zinc/68/15/57/551681557.db2.gz	DEFINGCPYAFRPV-OAQYLSRUSA-N	0	1	523.408	6.360	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000001480874	551682381	/nfs/dbraw/zinc/68/23/81/551682381.db2.gz	CCODETKKUHIECG-DEOSSOPVSA-N	0	1	534.565	5.634	50	30		KKEAMN
CCCCCCOc1ccc(OCCn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)cc1	ZINC000001858444	551716669	/nfs/dbraw/zinc/71/66/69/551716669.db2.gz	DZPOSZJFTSGENF-NJZRLIGZSA-N	0	1	512.679	7.735	50	30		KKEAMN
Cc1cccc(C)c1/N=C1\S/C(=C\c2cc(Cl)cc(Br)c2O)C(=O)N1c1c(C)cccc1C	ZINC000002073620	551748260	/nfs/dbraw/zinc/74/82/60/551748260.db2.gz	CNKQRYJQNOUDLX-JZRXHDQVSA-N	0	1	541.898	7.850	50	30		KKEAMN
O=C(CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2s1)NCCc1ccccc1	ZINC000002188076	551788190	/nfs/dbraw/zinc/78/81/90/551788190.db2.gz	IZCVKGNVZRSVBD-XODNFHPESA-N	0	1	516.475	6.510	50	30		KKEAMN
CCCCC1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2ccc(OC)cc2)C1=O	ZINC000002207940	551793583	/nfs/dbraw/zinc/79/35/83/551793583.db2.gz	KFKKKQBDOZDTGA-LFUMJXIHSA-N	0	1	504.450	5.491	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1/C=N/c1ccc(-c2csc(-c3ccccc3)n2)cc1	ZINC000002309402	551808994	/nfs/dbraw/zinc/80/89/94/551808994.db2.gz	NZEDXLJSXXBSFN-BRJLIKDPSA-N	0	1	514.242	7.458	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000003892706	552421989	/nfs/dbraw/zinc/42/19/89/552421989.db2.gz	QACJBSMKPIASHM-PMERELPUSA-N	0	1	532.596	6.526	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000003979647	552424464	/nfs/dbraw/zinc/42/44/64/552424464.db2.gz	OFYMCZPFJIDRBI-WJOKGBTCSA-N	0	1	548.639	6.996	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000005355186	552498616	/nfs/dbraw/zinc/49/86/16/552498616.db2.gz	XMASRHZDIGOMCJ-QHCPKHFHSA-N	0	1	566.632	5.135	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000005355435	552498681	/nfs/dbraw/zinc/49/86/81/552498681.db2.gz	KOPJVESHNJQPNM-VWLOTQADSA-N	0	1	576.671	6.073	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000005357045	552499194	/nfs/dbraw/zinc/49/91/94/552499194.db2.gz	IAICEXZNVAXQLI-XMMPIXPASA-N	0	1	578.643	5.302	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1	ZINC000005919148	552512292	/nfs/dbraw/zinc/51/22/92/552512292.db2.gz	IXMZWLOGYMLAOV-XMMPIXPASA-N	0	1	564.660	5.907	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2F)cc1C	ZINC000005919788	552512633	/nfs/dbraw/zinc/51/26/33/552512633.db2.gz	BHPGRFBIUKQASP-QFIPXVFZSA-N	0	1	536.581	5.423	50	30		KKEAMN
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000006146303	552547958	/nfs/dbraw/zinc/54/79/58/552547958.db2.gz	BRTHUVMOIMOFKW-UHFFFAOYSA-N	0	1	594.509	5.367	50	30		KKEAMN
O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1	ZINC000006147161	552548769	/nfs/dbraw/zinc/54/87/69/552548769.db2.gz	NAJANVVFFQLBAA-UHFFFAOYSA-N	0	1	525.413	6.662	50	30		KKEAMN
O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)c1cccs1	ZINC000006147013	552548820	/nfs/dbraw/zinc/54/88/20/552548820.db2.gz	AABSTGVTEPPDHX-UHFFFAOYSA-N	0	1	555.033	5.878	50	30		KKEAMN
Cc1ccc(S(=O)(=O)N=C(Nc2cc(Br)c(O)c(Br)c2)c2ccccc2)cc1	ZINC000006151090	552551401	/nfs/dbraw/zinc/55/14/01/552551401.db2.gz	OBOPDNHLSGDWQX-UHFFFAOYSA-N	0	1	524.234	5.473	50	30		KKEAMN
N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000006150914	552551405	/nfs/dbraw/zinc/55/14/05/552551405.db2.gz	PBEROWGXIONHLG-QFIPXVFZSA-N	0	1	522.575	5.031	50	30		KKEAMN
COc1ccc(Nc2nc(N=NCc3ccc(-c4cccc(Cl)c4)o3)nc(NCc3ccco3)n2)cc1	ZINC000006156954	552552448	/nfs/dbraw/zinc/55/24/48/552552448.db2.gz	XLBVANBAJVSKID-MUFRIFMGSA-N	0	1	515.961	6.188	50	30		KKEAMN
O=C(c1ccccc1)c1cccc(-c2nc(-c3ccc(C#Cc4ccccc4)cc3)[nH]c2-c2ccccc2)c1	ZINC000006446354	552589061	/nfs/dbraw/zinc/58/90/61/552589061.db2.gz	ZJMOMPZMMBTQPG-UHFFFAOYSA-N	0	1	500.601	8.042	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2ccc(Br)cc2)cc1	ZINC000006458984	552590058	/nfs/dbraw/zinc/59/00/58/552590058.db2.gz	VXTLJXDQZGXTHN-OAQYLSRUSA-N	0	1	543.211	6.003	50	30		KKEAMN
CCCCCCCCCCCCCCCCSC[C@@H](COC)CO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000008214403	552984390	/nfs/dbraw/zinc/98/43/90/552984390.db2.gz	ODEDPKNSRBCSDO-SANMLTNESA-O	0	1	526.785	7.303	50	30	in-man	KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000008383331	552986206	/nfs/dbraw/zinc/98/62/06/552986206.db2.gz	IPBPZHSEKPYXRD-GDLZYMKVSA-N	0	1	635.698	8.291	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1cccs1	ZINC000008383322	552986216	/nfs/dbraw/zinc/98/62/16/552986216.db2.gz	BCGJUAFOCYALDP-OAQYLSRUSA-N	0	1	549.630	6.560	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1ccccc1	ZINC000008383384	552986471	/nfs/dbraw/zinc/98/64/71/552986471.db2.gz	ULECHWDGEWYFGS-MHZLTWQESA-N	0	1	575.671	7.513	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H]1c1cccc(O)c1	ZINC000008383439	552986834	/nfs/dbraw/zinc/98/68/34/552986834.db2.gz	DWBQFQPRLAIGQQ-HSZRJFAPSA-N	0	1	576.055	6.719	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1O	ZINC000008384072	552988861	/nfs/dbraw/zinc/98/88/61/552988861.db2.gz	ZTNRIATZYPCUQH-RUZDIDTESA-N	0	1	620.108	7.117	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1	ZINC000008426945	553019050	/nfs/dbraw/zinc/01/90/50/553019050.db2.gz	ZVPMLOJXPSBFHB-FOKLQQMPSA-N	0	1	566.136	6.160	50	30		KKEAMN
CCCCN(CCCC)c1nc(N=NCc2cc([N+](=O)[O-])ccc2OC)nc(Nc2ccc([N+](=O)[O-])cc2)n1	ZINC000008427582	553020243	/nfs/dbraw/zinc/02/02/43/553020243.db2.gz	CNPSDLPQOXDCAB-YZSQISJMSA-N	0	1	537.581	5.293	50	30		KKEAMN
Oc1c(Br)cc(Cl)cc1CN=Nc1nc(Nc2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1	ZINC000008427609	553020328	/nfs/dbraw/zinc/02/03/28/553020328.db2.gz	VLEFMRVFNFRMBW-LUOAPIJWSA-N	0	1	572.773	5.038	50	30		KKEAMN
CCN(CC)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)NC2CCCCC2)cc1	ZINC000008432185	553025432	/nfs/dbraw/zinc/02/54/32/553025432.db2.gz	QHDYMVGNDXCRBU-PMERELPUSA-N	0	1	530.782	7.356	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000008433088	553028040	/nfs/dbraw/zinc/02/80/40/553028040.db2.gz	GYJZENLFTVUQFY-WWOZWPLTSA-N	0	1	590.532	8.670	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000008440104	553036441	/nfs/dbraw/zinc/03/64/41/553036441.db2.gz	ZSYZDHRWPRGCPK-HKBQPEDESA-N	0	1	533.624	6.485	50	30		KKEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(OCc2ccccc2)cc1	ZINC000008440935	553038895	/nfs/dbraw/zinc/03/88/95/553038895.db2.gz	QYCIBPCTVFHBBU-NDEPHWFRSA-N	0	1	591.502	5.329	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc(OC)c1OC	ZINC000008441241	553040089	/nfs/dbraw/zinc/04/00/89/553040089.db2.gz	JGAOJIZMHHEHMJ-RUZDIDTESA-N	0	1	615.689	6.385	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(C[C@@H]4CCCO4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000008441476	553040896	/nfs/dbraw/zinc/04/08/96/553040896.db2.gz	NKVCWTQAJXLLBS-MSNNWPJDSA-N	0	1	525.601	5.346	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1	ZINC000008441599	553041189	/nfs/dbraw/zinc/04/11/89/553041189.db2.gz	TUNXZACCWUKGNP-AREMUKBSSA-N	0	1	503.551	5.398	50	30		KKEAMN
COc1ccc(CCNC(=O)CSc2nc3ccc(/N=C/c4cc(Br)cc(Br)c4O)cc3s2)cc1OC	ZINC000008443028	553045380	/nfs/dbraw/zinc/04/53/80/553045380.db2.gz	HXOSHTWONYNZMR-VVEOGCPPSA-N	0	1	665.429	6.746	50	30		KKEAMN
CCCC[C@H](CC)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OCCC)c(OC)c1	ZINC000008443996	553048842	/nfs/dbraw/zinc/04/88/42/553048842.db2.gz	SRLSLNUPEKAHCA-UGDMGKLASA-N	0	1	532.725	7.843	50	30		KKEAMN
CCCC[C@@H](CC)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OCCC)c(OC)c1	ZINC000008443995	553048896	/nfs/dbraw/zinc/04/88/96/553048896.db2.gz	SRLSLNUPEKAHCA-UVDDSOTQSA-N	0	1	532.725	7.843	50	30		KKEAMN
CCOc1ccccc1[C@@H]1C2=C(C[C@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1	ZINC000008444111	553049299	/nfs/dbraw/zinc/04/92/99/553049299.db2.gz	HWUCENKIUWAWJC-WNSROMTISA-N	0	1	544.651	7.308	50	30		KKEAMN
O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1	ZINC000008444123	553049341	/nfs/dbraw/zinc/04/93/41/553049341.db2.gz	JEEHTRCHNXMPPE-WAQHJAAWSA-N	0	1	576.696	8.480	50	30		KKEAMN
COc1cccc([C@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)c1	ZINC000008444383	553050181	/nfs/dbraw/zinc/05/01/81/553050181.db2.gz	KUZAOGPQXKIDEU-QNLPTKCRSA-N	0	1	518.588	7.049	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2ccc(F)cc2)cc1	ZINC000008444546	553050804	/nfs/dbraw/zinc/05/08/04/553050804.db2.gz	LHVCUCBFYKJEEH-GTYOFVGBSA-N	0	1	508.637	7.434	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccc(OC)cc1	ZINC000008445054	553052886	/nfs/dbraw/zinc/05/28/86/553052886.db2.gz	CUUBOOGZSDIXGV-JIYROHSKSA-N	0	1	539.632	7.084	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@H](c4cccc([N+](=O)[O-])c4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000008445097	553053116	/nfs/dbraw/zinc/05/31/16/553053116.db2.gz	WNQZKLOIWQPZNA-NRUKRWIHSA-N	0	1	545.595	6.818	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000008445132	553053400	/nfs/dbraw/zinc/05/34/00/553053400.db2.gz	PLUWBBVOAUSTMD-UGDMGKLASA-N	0	1	544.051	7.729	50	30		KKEAMN
CCOc1cc(Br)c(Br)c(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c1O	ZINC000008453702	553066667	/nfs/dbraw/zinc/06/66/67/553066667.db2.gz	CITDFDZTJHKXCC-VULFUBBASA-N	0	1	591.308	5.681	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000008461950	553075483	/nfs/dbraw/zinc/07/54/83/553075483.db2.gz	RPALZPCDFUSIQJ-SPSFWMDKSA-N	0	1	571.869	7.363	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H]3c2cccs2)cc1	ZINC000008695560	553121825	/nfs/dbraw/zinc/12/18/25/553121825.db2.gz	WZCNTSYCLMAYNZ-HZAQMHFWSA-N	0	1	590.532	8.670	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H]3c2cccs2)cc1	ZINC000008695558	553121882	/nfs/dbraw/zinc/12/18/82/553121882.db2.gz	WZCNTSYCLMAYNZ-QTEAWJPNSA-N	0	1	590.532	8.670	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000008695578	553122270	/nfs/dbraw/zinc/12/22/70/553122270.db2.gz	WBRPLGYKMHLJHB-PLTNMMHCSA-N	0	1	558.631	5.650	50	30		KKEAMN
Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccccc3Cl)C2)cc1	ZINC000008695602	553122405	/nfs/dbraw/zinc/12/24/05/553122405.db2.gz	JIOPGTXJOJRDLA-QYBDOPJKSA-N	0	1	510.943	7.111	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000008695629	553122493	/nfs/dbraw/zinc/12/24/93/553122493.db2.gz	PLPGDHBJMHHZGN-LUWBXXKHSA-N	0	1	614.739	7.211	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCOC)ccc1O	ZINC000008740729	553132410	/nfs/dbraw/zinc/13/24/10/553132410.db2.gz	STKQSWOSWNDCTG-NDEPHWFRSA-N	0	1	531.605	5.293	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC	ZINC000008744166	553133972	/nfs/dbraw/zinc/13/39/72/553133972.db2.gz	QOMICXQFMDFZTH-QHCPKHFHSA-N	0	1	504.564	5.642	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000008766786	553139144	/nfs/dbraw/zinc/13/91/44/553139144.db2.gz	FPEQESNVIKODGI-OLILMLBXSA-N	0	1	520.551	7.025	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008770834	553141022	/nfs/dbraw/zinc/14/10/22/553141022.db2.gz	JYHDVSPKTPQHBR-GDLZYMKVSA-N	0	1	508.618	6.511	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(F)cc1	ZINC000008846358	553166078	/nfs/dbraw/zinc/16/60/78/553166078.db2.gz	DBOABUYSCPZZAG-HEIROHQZSA-N	0	1	512.625	7.315	50	30		KKEAMN
CCCCCCCCCCCCCCCCOC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(C)=O	ZINC000008860505	553170128	/nfs/dbraw/zinc/17/01/28/553170128.db2.gz	HVAUUPRFYPCOCA-AREMUKBSSA-O	0	1	524.700	6.256	50	30	in-vivo	KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000008904791	553183710	/nfs/dbraw/zinc/18/37/10/553183710.db2.gz	ZFRWCHNKHGKXSV-HSZRJFAPSA-N	0	1	504.539	5.626	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000008973858	553195440	/nfs/dbraw/zinc/19/54/40/553195440.db2.gz	NHIZNYAIWCGHPF-JOCHJYFZSA-N	0	1	501.520	5.386	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000008973788	553195515	/nfs/dbraw/zinc/19/55/15/553195515.db2.gz	ONCLJUSJTICOIZ-XMMPIXPASA-N	0	1	518.566	6.016	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000008996400	553197181	/nfs/dbraw/zinc/19/71/81/553197181.db2.gz	SRZBFVQEZVOOGX-JOCHJYFZSA-N	0	1	520.563	5.260	50	30		KKEAMN
O=[N+]([O-])c1ccc([N-][NH+]=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)c([N+](=O)[O-])c1	ZINC000009009043	553199276	/nfs/dbraw/zinc/19/92/76/553199276.db2.gz	ILDDGKYCYKBCJY-SVQVGOSPSA-N	0	1	506.522	6.305	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000009018999	553200747	/nfs/dbraw/zinc/20/07/47/553200747.db2.gz	MHKQWMZHLPKYJF-NLGDKJDOSA-N	0	1	522.645	6.954	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000009019991	553201104	/nfs/dbraw/zinc/20/11/04/553201104.db2.gz	PXDITGAURYUQRG-HSZRJFAPSA-N	0	1	506.426	5.951	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(Br)cc2)cc1C	ZINC000009019710	553201165	/nfs/dbraw/zinc/20/11/65/553201165.db2.gz	XBJAXKCDQQYSNZ-QFIPXVFZSA-N	0	1	502.405	5.161	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000009070428	553207023	/nfs/dbraw/zinc/20/70/23/553207023.db2.gz	QVEBURRQPHXAFU-JOCHJYFZSA-N	0	1	506.536	5.088	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1	ZINC000009086249	553208275	/nfs/dbraw/zinc/20/82/75/553208275.db2.gz	JCQPFSYLDNEHMP-QFIPXVFZSA-N	0	1	517.887	6.159	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1	ZINC000009123532	553212342	/nfs/dbraw/zinc/21/23/42/553212342.db2.gz	JQULZTSBYZYPQM-QFIPXVFZSA-N	0	1	503.511	5.743	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000009160756	553215605	/nfs/dbraw/zinc/21/56/05/553215605.db2.gz	UUOHTRFLHDMZFW-MHZLTWQESA-N	0	1	510.546	6.347	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1	ZINC000009186809	553217896	/nfs/dbraw/zinc/21/78/96/553217896.db2.gz	YLSVJLTYAQARPM-DEOSSOPVSA-N	0	1	518.591	6.168	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)cc2OC)cc1	ZINC000009192425	553218767	/nfs/dbraw/zinc/21/87/67/553218767.db2.gz	JATOBWCHCMJEGX-AREMUKBSSA-N	0	1	502.567	5.056	50	30		KKEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C	ZINC000009192749	553218923	/nfs/dbraw/zinc/21/89/23/553218923.db2.gz	IKTKEVOMCFGPPK-VWLOTQADSA-N	0	1	515.610	5.279	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccnc1)c1ccc(F)cc1	ZINC000009209491	553220246	/nfs/dbraw/zinc/22/02/46/553220246.db2.gz	PFBFYOSZGYUSEO-FQEVSTJZSA-N	0	1	504.568	5.147	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000009233754	553224586	/nfs/dbraw/zinc/22/45/86/553224586.db2.gz	ALYUYYKIQOZLFI-CHJDUVSTSA-N	0	1	512.606	6.547	50	30	biogenic	KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000009234112	553224766	/nfs/dbraw/zinc/22/47/66/553224766.db2.gz	JTXMYGZLJVJTGN-NRFANRHFSA-N	0	1	508.577	5.167	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000009240615	553226172	/nfs/dbraw/zinc/22/61/72/553226172.db2.gz	RQYFQOORJHTBID-NRFANRHFSA-N	0	1	508.577	5.167	50	30		KKEAMN
Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009264249	553228783	/nfs/dbraw/zinc/22/87/83/553228783.db2.gz	MYPYBFFKDKTOND-IIMAJNMQSA-N	0	1	524.020	7.848	50	30		KKEAMN
O=C(Nc1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000009264242	553228831	/nfs/dbraw/zinc/22/88/31/553228831.db2.gz	ZMTLLOWRWUKORV-OLILMLBXSA-N	0	1	509.993	7.539	50	30		KKEAMN
O=C(Nc1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000009264246	553228858	/nfs/dbraw/zinc/22/88/58/553228858.db2.gz	ZMTLLOWRWUKORV-AFJIDDCJSA-N	0	1	509.993	7.539	50	30		KKEAMN
COc1ccccc1[C@@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)Nc1ccc(C)cc1	ZINC000009264341	553229077	/nfs/dbraw/zinc/22/90/77/553229077.db2.gz	CWWQEVCDBWGAEL-JCOAXYOVSA-N	0	1	519.601	7.203	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000009271632	553231339	/nfs/dbraw/zinc/23/13/39/553231339.db2.gz	IVSYAGHANLVPPI-HXUWFJFHSA-N	0	1	513.413	5.704	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCC)c(OC)c2)c(C)c1	ZINC000009272182	553231507	/nfs/dbraw/zinc/23/15/07/553231507.db2.gz	GKSAFSQKMVFPRQ-MUUNZHRXSA-N	0	1	530.621	5.755	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(O)cc1	ZINC000009272248	553231518	/nfs/dbraw/zinc/23/15/18/553231518.db2.gz	HZDWISINCIUVRJ-MUUNZHRXSA-N	0	1	506.558	5.453	50	30		KKEAMN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@H]3c2cccnc2)cc1	ZINC000009272310	553231722	/nfs/dbraw/zinc/23/17/22/553231722.db2.gz	MBCOPNVYBJMEDN-LMKDROEOSA-N	0	1	511.625	7.004	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009280166	553232781	/nfs/dbraw/zinc/23/27/81/553232781.db2.gz	ABTBBOOURYHACK-QFIPXVFZSA-N	0	1	508.958	6.270	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1	ZINC000009280180	553233047	/nfs/dbraw/zinc/23/30/47/553233047.db2.gz	QZWWASUOQJYBOH-DEOSSOPVSA-N	0	1	518.566	6.016	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1	ZINC000009291420	553234706	/nfs/dbraw/zinc/23/47/06/553234706.db2.gz	KBFQKSHIIIIFQA-WTYVLRPYSA-N	0	1	512.606	5.753	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000009292959	553235268	/nfs/dbraw/zinc/23/52/68/553235268.db2.gz	IEMPKXQZUACFQY-JRPXNJEYSA-N	0	1	517.581	6.581	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000009302186	553236375	/nfs/dbraw/zinc/23/63/75/553236375.db2.gz	KBMWURUEDLTKHI-NRFANRHFSA-N	0	1	505.483	5.135	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCOC)ccc1OCCC(C)C	ZINC000009308649	553237533	/nfs/dbraw/zinc/23/75/33/553237533.db2.gz	NUYXWPSJTRIQOY-WINIVTDRSA-N	0	1	523.626	5.058	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000009311874	553239816	/nfs/dbraw/zinc/23/98/16/553239816.db2.gz	XYKMRLJUXLLMPD-KCWXNJEJSA-N	0	1	511.618	6.358	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000009312242	553240062	/nfs/dbraw/zinc/24/00/62/553240062.db2.gz	KRMAJLDWXIILEM-YKGWIAGDSA-N	0	1	525.645	6.256	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000009312108	553240126	/nfs/dbraw/zinc/24/01/26/553240126.db2.gz	XLOQOPKCXREUEG-OLILMLBXSA-N	0	1	527.617	5.976	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000009312551	553240446	/nfs/dbraw/zinc/24/04/46/553240446.db2.gz	ZMAOLLWTTOFNOK-VKGTZQKMSA-N	0	1	513.590	5.238	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000009312966	553240698	/nfs/dbraw/zinc/24/06/98/553240698.db2.gz	RZBNNVBQYPHSMS-MYUZEXMDSA-N	0	1	517.578	5.569	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000009312967	553240723	/nfs/dbraw/zinc/24/07/23/553240723.db2.gz	RZBNNVBQYPHSMS-DNOBIOAJSA-N	0	1	517.578	5.569	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(Br)cc3)ccc2O1	ZINC000009312971	553240729	/nfs/dbraw/zinc/24/07/29/553240729.db2.gz	VYKSZWKWPOMFBK-GKVSMKOHSA-N	0	1	518.407	5.594	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000009313061	553240992	/nfs/dbraw/zinc/24/09/92/553240992.db2.gz	KRMAJLDWXIILEM-CHJDUVSTSA-N	0	1	525.645	6.256	50	30		KKEAMN
CCCOc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)CC	ZINC000009327510	553241694	/nfs/dbraw/zinc/24/16/94/553241694.db2.gz	FERUFQUYQKNRQF-KCEHZKJRSA-N	0	1	510.634	6.795	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(O)cc2)o1	ZINC000009328432	553242058	/nfs/dbraw/zinc/24/20/58/553242058.db2.gz	BNPMPRJDTDNFCB-HXUWFJFHSA-N	0	1	505.577	5.220	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000009329142	553242175	/nfs/dbraw/zinc/24/21/75/553242175.db2.gz	VGWKVNJWQJFEQW-SANMLTNESA-N	0	1	520.582	5.598	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(Br)cc3)ccc2O1	ZINC000009334543	553243294	/nfs/dbraw/zinc/24/32/94/553243294.db2.gz	CQTBWVBAGCULNB-GYCJOSAFSA-N	0	1	504.380	5.551	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@H]2c2ccc(Cl)c(Cl)c2)C1	ZINC000009353413	553245488	/nfs/dbraw/zinc/24/54/88/553245488.db2.gz	CLAMJFSJTARIRP-SANMLTNESA-N	0	1	522.501	8.007	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000009354473	553246025	/nfs/dbraw/zinc/24/60/25/553246025.db2.gz	WKVXBMVLYYIAKU-XRHLQHRESA-N	0	1	515.562	5.345	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cccc(F)c2)cc1	ZINC000009357061	553246713	/nfs/dbraw/zinc/24/67/13/553246713.db2.gz	FEKWHYGUYGLAEW-NRUKRWIHSA-N	0	1	518.588	7.049	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000009357939	553247227	/nfs/dbraw/zinc/24/72/27/553247227.db2.gz	IWUWXJDJEHBDJR-ZLOXQWCVSA-N	0	1	504.514	5.681	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000009358218	553247500	/nfs/dbraw/zinc/24/75/00/553247500.db2.gz	IKYOLTCLRRDVCK-YUDQIZAISA-N	0	1	518.569	6.281	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccnc3)s2)cc1	ZINC000009360148	553248231	/nfs/dbraw/zinc/24/82/31/553248231.db2.gz	HLMNRKAHONXZGV-OAQYLSRUSA-N	0	1	500.605	5.317	50	30		KKEAMN
CN(C)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)cc1	ZINC000009363525	553248883	/nfs/dbraw/zinc/24/88/83/553248883.db2.gz	QRSSBJCSCLKFRT-SSEXGKCCSA-N	0	1	514.069	6.792	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000009374115	553250724	/nfs/dbraw/zinc/25/07/24/553250724.db2.gz	JNMQBTWWPBFIEI-HXUWFJFHSA-N	0	1	509.356	5.981	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000009373859	553250757	/nfs/dbraw/zinc/25/07/57/553250757.db2.gz	JAENGFYSVJIPAU-HRFSGMKKSA-N	0	1	515.610	5.054	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OCc2ccccc2)c1	ZINC000009374589	553250914	/nfs/dbraw/zinc/25/09/14/553250914.db2.gz	SEHOZOUHLMOGPG-PIIWDFAUSA-N	0	1	513.590	5.204	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000009379652	553251338	/nfs/dbraw/zinc/25/13/38/553251338.db2.gz	LINRIBTYCIXLBC-NDEPHWFRSA-N	0	1	531.605	5.206	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(Br)cc1	ZINC000009379814	553251543	/nfs/dbraw/zinc/25/15/43/553251543.db2.gz	JVWGYHAAWVAVLB-QHCPKHFHSA-N	0	1	516.432	5.407	50	30		KKEAMN
Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@H]3c3ccco3)C2)cc1	ZINC000009380030	553251559	/nfs/dbraw/zinc/25/15/59/553251559.db2.gz	AIVMBCMRMFQMRC-UCPJIYJUSA-N	0	1	500.598	7.202	50	30		KKEAMN
COc1cc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc(OC)c1OC	ZINC000009380153	553251774	/nfs/dbraw/zinc/25/17/74/553251774.db2.gz	UKSFPVCBBKEFQY-DFXYEROKSA-N	0	1	526.633	6.269	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000009424496	553258705	/nfs/dbraw/zinc/25/87/05/553258705.db2.gz	AMUZVJHTLQAMBO-LJAQVGFWSA-N	0	1	519.553	6.029	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000009424840	553258899	/nfs/dbraw/zinc/25/88/99/553258899.db2.gz	NWONUBQOFSFUPT-NDEPHWFRSA-N	0	1	529.589	5.424	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(O)c2)cc1	ZINC000009425042	553259142	/nfs/dbraw/zinc/25/91/42/553259142.db2.gz	FZDSYMVTJPUUJC-NDEPHWFRSA-N	0	1	523.589	5.145	50	30		KKEAMN
CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000009425278	553259330	/nfs/dbraw/zinc/25/93/30/553259330.db2.gz	ZDTSWUAWXDCQMQ-SMSORMJASA-N	0	1	509.606	6.813	50	30		KKEAMN
Cc1ccc(S(=O)(=O)N[C@@H]2c3cccc4cccc(c34)[C@@H]2Sc2nncn2N=C2CCCC2)cc1	ZINC000009428630	553260580	/nfs/dbraw/zinc/26/05/80/553260580.db2.gz	HBWBAACCGRNOOS-RPBOFIJWSA-N	0	1	503.653	5.384	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1	ZINC000009436621	553264494	/nfs/dbraw/zinc/26/44/94/553264494.db2.gz	MNOHKPKIHOKOJW-MMTVBGGISA-N	0	1	512.606	5.608	50	30		KKEAMN
COc1ccccc1[C@H]1C(C(=O)c2ccc(OCc3ccccc3)cc2)C(=O)C(=O)N1Cc1cccnc1	ZINC000009436596	553264615	/nfs/dbraw/zinc/26/46/15/553264615.db2.gz	GMIBGBQBPTWQGM-NDEPHWFRSA-N	0	1	506.558	5.448	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000009454288	553266347	/nfs/dbraw/zinc/26/63/47/553266347.db2.gz	IPKJEWQIWHBGJY-OLILMLBXSA-N	0	1	521.569	5.961	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000009454294	553266350	/nfs/dbraw/zinc/26/63/50/553266350.db2.gz	IPKJEWQIWHBGJY-WRONEBCDSA-N	0	1	521.569	5.961	50	30		KKEAMN
O=C(N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl)C(F)(F)F	ZINC000009459479	553266742	/nfs/dbraw/zinc/26/67/42/553266742.db2.gz	CEDWHZRMMVNNTQ-LMKMVOKYSA-N	0	1	514.906	6.942	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(N(C)C)cc3)cc2)c1	ZINC000009460978	553267174	/nfs/dbraw/zinc/26/71/74/553267174.db2.gz	GJAAQQFXWKRPLX-LJAQVGFWSA-N	0	1	522.601	6.012	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(O)c3)cc2)c1	ZINC000009463124	553268688	/nfs/dbraw/zinc/26/86/88/553268688.db2.gz	IBFIKLNAMVDATB-NDEPHWFRSA-N	0	1	506.558	5.453	50	30		KKEAMN
COCCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	ZINC000009556440	553278860	/nfs/dbraw/zinc/27/88/60/553278860.db2.gz	HRSWGAJRGQKXDA-MHZLTWQESA-N	0	1	513.546	5.245	50	30		KKEAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2ccc(C)c(C)c2)C2=C1C(=O)CC(C)(C)C2	ZINC000009594973	553283584	/nfs/dbraw/zinc/28/35/84/553283584.db2.gz	UJPRMDDKUBATLD-MUUNZHRXSA-N	0	1	523.555	5.581	50	30		KKEAMN
O=C(c1ccc(Cl)cc1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1F	ZINC000009720985	553300882	/nfs/dbraw/zinc/30/08/82/553300882.db2.gz	ZUQSHKMTXZJWIX-UVDDSOTQSA-N	0	1	523.007	7.694	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1C	ZINC000009993820	553324143	/nfs/dbraw/zinc/32/41/43/553324143.db2.gz	IJHWHSPLIOVTET-MUUNZHRXSA-N	0	1	520.670	5.208	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2F)cc1C	ZINC000009994092	553324401	/nfs/dbraw/zinc/32/44/01/553324401.db2.gz	OGVJAERZKWTLJA-NRFANRHFSA-N	0	1	522.554	5.033	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1C	ZINC000009993925	553324435	/nfs/dbraw/zinc/32/44/35/553324435.db2.gz	QMIOODYBGIHBCD-DEOSSOPVSA-N	0	1	521.411	5.720	50	30		KKEAMN
C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2cccn2-c2nccs2)CC1	ZINC000012279474	553356083	/nfs/dbraw/zinc/35/60/83/553356083.db2.gz	ZOPMXNQJJDQOPE-UHFFFAOYSA-N	0	1	511.120	6.037	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000012285086	553356304	/nfs/dbraw/zinc/35/63/04/553356304.db2.gz	ZHNYLSZQPINXHU-DJUQAAIZSA-N	0	1	522.601	5.792	50	30		KKEAMN
O=[N+]([O-])c1cc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)c(Cl)cc1Cl	ZINC000012374615	553360842	/nfs/dbraw/zinc/36/08/42/553360842.db2.gz	RKEVOQGKTQOJJE-BRJLIKDPSA-N	0	1	505.341	5.406	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000013549265	553469880	/nfs/dbraw/zinc/46/98/80/553469880.db2.gz	LEOOPTSCRTXWFU-NDEPHWFRSA-N	0	1	531.605	5.206	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000013549268	553470015	/nfs/dbraw/zinc/47/00/15/553470015.db2.gz	LEOOPTSCRTXWFU-MUUNZHRXSA-N	0	1	531.605	5.206	50	30		KKEAMN
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NS(=O)(=O)c1ccccc1Br	ZINC000014086825	553500309	/nfs/dbraw/zinc/50/03/09/553500309.db2.gz	GAXQZFALVAOCFH-KRWDZBQOSA-N	0	1	510.240	6.521	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2F)c(C)c1	ZINC000016701032	553574778	/nfs/dbraw/zinc/57/47/78/553574778.db2.gz	WUIUQXBVCZQHKB-OAQYLSRUSA-N	0	1	522.554	5.033	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000016713782	553575400	/nfs/dbraw/zinc/57/54/00/553575400.db2.gz	BFYZIEYIIFVLCY-LJAQVGFWSA-N	0	1	528.649	5.962	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000016713782	553575402	/nfs/dbraw/zinc/57/54/02/553575402.db2.gz	BFYZIEYIIFVLCY-LJAQVGFWSA-N	0	1	528.649	5.962	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccccc2F)nc1C	ZINC000016730398	553576531	/nfs/dbraw/zinc/57/65/31/553576531.db2.gz	ALOOPPQKFMMITO-FQEVSTJZSA-N	0	1	510.518	5.164	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F	ZINC000016731253	553577079	/nfs/dbraw/zinc/57/70/79/553577079.db2.gz	CPHJGLUPRZFWHY-NDEPHWFRSA-N	0	1	524.548	5.587	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000016731775	553577330	/nfs/dbraw/zinc/57/73/30/553577330.db2.gz	AITQULZEYKHYQA-SANMLTNESA-N	0	1	507.558	5.939	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1OC	ZINC000016732876	553577760	/nfs/dbraw/zinc/57/77/60/553577760.db2.gz	LSIKJSKWULXLQP-YWEHKCAJSA-N	0	1	537.653	5.810	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1Cl	ZINC000016733218	553577885	/nfs/dbraw/zinc/57/78/85/553577885.db2.gz	KITUWVNUNRRWBJ-AREMUKBSSA-N	0	1	521.997	6.146	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Br)c2)cc1Cl	ZINC000016733531	553578203	/nfs/dbraw/zinc/57/82/03/553578203.db2.gz	DBUPDVRIPMTTFJ-OAQYLSRUSA-N	0	1	516.775	5.873	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000016734453	553578526	/nfs/dbraw/zinc/57/85/26/553578526.db2.gz	FJCUTZREIFCNPZ-LJAQVGFWSA-N	0	1	518.569	6.217	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3nc(-c4ccccc4)cs3)[C@H]2c2ccc(C)cc2)cc1	ZINC000016741960	553580067	/nfs/dbraw/zinc/58/00/67/553580067.db2.gz	CWCHMKODJBRVIV-NDEPHWFRSA-N	0	1	522.626	6.462	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000016805431	553582866	/nfs/dbraw/zinc/58/28/66/553582866.db2.gz	AZYAVCLMOAJJQI-GOSISDBHSA-N	0	1	500.935	5.122	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(C)cc2)nc1C	ZINC000016805512	553583024	/nfs/dbraw/zinc/58/30/24/553583024.db2.gz	XVEWMIFIMNHMQW-NRFANRHFSA-N	0	1	506.555	5.333	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1Cl	ZINC000016805645	553583050	/nfs/dbraw/zinc/58/30/50/553583050.db2.gz	XXKKXORYFNFLRD-RUZDIDTESA-N	0	1	507.970	5.756	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)C1	ZINC000017029206	553587102	/nfs/dbraw/zinc/58/71/02/553587102.db2.gz	AADFSCNXARJWPU-MUUNZHRXSA-N	0	1	505.445	7.379	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)C1	ZINC000017029208	553587118	/nfs/dbraw/zinc/58/71/18/553587118.db2.gz	AADFSCNXARJWPU-NDEPHWFRSA-N	0	1	505.445	7.379	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000017887239	553600321	/nfs/dbraw/zinc/60/03/21/553600321.db2.gz	INBXFALHNOAFLD-SSEXGKCCSA-N	0	1	534.612	6.750	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000070672804	553602620	/nfs/dbraw/zinc/60/26/20/553602620.db2.gz	ZSQUSLALPQALPW-PKHCJMHPSA-N	0	1	544.648	6.786	50	30	biogenic	KKEAMN
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3[C@@H]3O[C@]312	ZINC000070687694	553607288	/nfs/dbraw/zinc/60/72/88/553607288.db2.gz	HRHAUIBJENZANL-ZVRTZNHISA-N	0	1	535.128	5.572	50	30	biogenic	KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H]2c2ccccc2OCc2ccccc2)C1	ZINC000018181901	553608177	/nfs/dbraw/zinc/60/81/77/553608177.db2.gz	HOPXCGPTQIPUHA-HHHXNRCGSA-N	0	1	520.551	6.971	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1ccc(C#N)cc1	ZINC000018276797	553611835	/nfs/dbraw/zinc/61/18/35/553611835.db2.gz	HHQBUYJNJNCHOQ-BNHRFMORSA-N	0	1	507.609	7.178	50	30		KKEAMN
CC(C)c1cc(N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n2c3ccccc3nc2c1C#N	ZINC000020461155	553655778	/nfs/dbraw/zinc/65/57/78/553655778.db2.gz	KAYDTUQTQNKXHW-WJOKGBTCSA-N	0	1	520.080	7.048	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4cc(OC)c(OC)c(OC)c4)C3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000079210043	553670199	/nfs/dbraw/zinc/67/01/99/553670199.db2.gz	VGPDRXMMBPXTSF-TXQSWDKBSA-N	0	1	740.806	6.978	50	30	biogenic	KKEAMN
C=C(C)COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCC2)cc1OC	ZINC000085876687	553689061	/nfs/dbraw/zinc/68/90/61/553689061.db2.gz	LXCKEIFNFKPTET-UHFFFAOYSA-N	0	1	515.566	6.171	50	30	biogenic	KKEAMN
C=CCN1CC[C@@]23c4c5c(OC(=O)CCCCCCCCCCC)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@H]3O5	ZINC000085893509	553690646	/nfs/dbraw/zinc/69/06/46/553690646.db2.gz	COVBJJPHWQNPOR-QIKYYPRYSA-N	0	1	509.687	5.422	50	30	biogenic	KKEAMN
C=CCN1CC[C@@]23c4c5c(OC(=O)CCCCCCCCCCC)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5	ZINC000085893506	553690685	/nfs/dbraw/zinc/69/06/85/553690685.db2.gz	COVBJJPHWQNPOR-CBZTZNMZSA-N	0	1	509.687	5.422	50	30	biogenic	KKEAMN
CCCCCCCCCCCC(=O)OCN1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21	ZINC000095564895	553704622	/nfs/dbraw/zinc/70/46/22/553704622.db2.gz	DDINXHAORAAYAD-UHFFFAOYSA-N	0	1	660.727	8.675	50	30	world	KKEAMN
N=C(Cc1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1)NOC(=O)c1cc(Cl)cc(Cl)c1	ZINC000095703736	553709020	/nfs/dbraw/zinc/70/90/20/553709020.db2.gz	BRVJDVLANXELIL-UHFFFAOYSA-N	0	1	532.733	6.311	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1/C=N/c1ccc(Sc2ccccc2)nc1Sc1ccccc1	ZINC000095704635	553709142	/nfs/dbraw/zinc/70/91/42/553709142.db2.gz	WGLCOVGRIPQOCD-JFLMPSFJSA-N	0	1	572.347	8.365	50	30		KKEAMN
Cc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/N=C/c1cc(Br)cc(Br)c1O	ZINC000096305049	553748783	/nfs/dbraw/zinc/74/87/83/553748783.db2.gz	ICCXNEOACOBSFD-UVHMKAGCSA-N	0	1	503.278	7.444	50	30		KKEAMN
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@H]2c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1	ZINC000097939704	553760567	/nfs/dbraw/zinc/76/05/67/553760567.db2.gz	NWZXCVXQIKRQCP-MYUZEXMDSA-N	0	1	576.627	5.484	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939789	553761294	/nfs/dbraw/zinc/76/12/94/553761294.db2.gz	VQNCYNJIFGQWBE-CRICUBBOSA-N	0	1	556.637	5.090	50	30		KKEAMN
Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	ZINC000097944426	553769556	/nfs/dbraw/zinc/76/95/56/553769556.db2.gz	TXLQROMLRQAQOV-NTFVMDSBSA-N	0	1	550.615	6.356	50	30		KKEAMN
O=C(Cc1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1	ZINC000097945813	553774897	/nfs/dbraw/zinc/77/48/97/553774897.db2.gz	XIQMHGHIBKBPHS-CAQRMWTPSA-N	0	1	537.034	7.622	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@@H]3c2cccs2)cc1	ZINC000097946028	553776112	/nfs/dbraw/zinc/77/61/12/553776112.db2.gz	FAKLVZSYEGABCR-IIMAJNMQSA-N	0	1	541.072	7.625	50	30		KKEAMN
N#Cc1cccc(CN2CCC(N(Cc3cccnc3)C(=O)Nc3ccccc3-c3ccccc3)CC2)c1	ZINC000024873653	553792420	/nfs/dbraw/zinc/79/24/20/553792420.db2.gz	UIIRFZUAAAFHFB-UHFFFAOYSA-N	0	1	501.634	6.319	50	30		KKEAMN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cccc(Br)c2)cc1	ZINC000097948326	553793206	/nfs/dbraw/zinc/79/32/06/553793206.db2.gz	GFOTYEIGTPUQFY-NLGDKJDOSA-N	0	1	563.495	7.972	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000097948529	553794674	/nfs/dbraw/zinc/79/46/74/553794674.db2.gz	IMQXVDFAEYSWIE-QYTMHSNXSA-N	0	1	578.753	8.252	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H]3c2cccc(F)c2)cc1	ZINC000097948764	553796520	/nfs/dbraw/zinc/79/65/20/553796520.db2.gz	ZOVDFKQUBIDLDH-GFJKYASSSA-N	0	1	602.493	8.747	50	30		KKEAMN
CC(C)(C)c1cc([C@@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc(C(C)(C)C)c1O	ZINC000097948972	553798204	/nfs/dbraw/zinc/79/82/04/553798204.db2.gz	JHRDMCPAFWRGOW-GRMGDBHTSA-N	0	1	622.806	9.402	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000097949141	553799681	/nfs/dbraw/zinc/79/96/81/553799681.db2.gz	JLVNIBDQKBOMHV-JEHQLEFQSA-N	0	1	650.728	6.953	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000097949142	553799764	/nfs/dbraw/zinc/79/97/64/553799764.db2.gz	JLVNIBDQKBOMHV-LUWBXXKHSA-N	0	1	650.728	6.953	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	ZINC000097949242	553800528	/nfs/dbraw/zinc/80/05/28/553800528.db2.gz	LOIMSBNQCOCWBD-WXWXLQMXSA-N	0	1	685.220	9.541	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1	ZINC000097951551	553809585	/nfs/dbraw/zinc/80/95/85/553809585.db2.gz	DBTMZAQLVJOVLE-WJOKGBTCSA-N	0	1	533.753	8.755	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1	ZINC000097951609	553810202	/nfs/dbraw/zinc/81/02/02/553810202.db2.gz	MRDZFEGRZYNGRI-WJOKGBTCSA-N	0	1	546.667	7.045	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1	ZINC000097951660	553810478	/nfs/dbraw/zinc/81/04/78/553810478.db2.gz	BRQPPRMTOOAFGW-PMERELPUSA-N	0	1	521.717	8.885	50	30		KKEAMN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000097951687	553810600	/nfs/dbraw/zinc/81/06/00/553810600.db2.gz	RNWAFVXLEFPUEV-QFIPXVFZSA-N	0	1	540.797	6.062	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000097951709	553810792	/nfs/dbraw/zinc/81/07/92/553810792.db2.gz	XWHGPOJRRDAREM-WJOKGBTCSA-N	0	1	546.667	7.045	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1	ZINC000097951735	553810895	/nfs/dbraw/zinc/81/08/95/553810895.db2.gz	JMDZDRHJKSSXHF-WJOKGBTCSA-N	0	1	533.753	8.755	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000097951799	553811468	/nfs/dbraw/zinc/81/14/68/553811468.db2.gz	KUXLOLRLRNEDQJ-QFIPXVFZSA-N	0	1	522.604	5.557	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1	ZINC000097951780	553811519	/nfs/dbraw/zinc/81/15/19/553811519.db2.gz	FKBIRFWHBOCPGF-QFIPXVFZSA-N	0	1	537.410	6.598	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(C(C)C)cc3)cc2)c1	ZINC000097952168	553813426	/nfs/dbraw/zinc/81/34/26/553813426.db2.gz	MSXPZMDZTRNSMP-HKBQPEDESA-N	0	1	532.640	6.871	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccco2)cc1	ZINC000097952192	553813792	/nfs/dbraw/zinc/81/37/92/553813792.db2.gz	YWGQJLVWIHVMME-NDEPHWFRSA-N	0	1	537.568	5.732	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1	ZINC000097952295	553814756	/nfs/dbraw/zinc/81/47/56/553814756.db2.gz	UDDXZXAJNPDBES-WJOKGBTCSA-N	0	1	549.671	6.563	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000097952326	553815112	/nfs/dbraw/zinc/81/51/12/553815112.db2.gz	GYQZKUKQXBQQLM-MHZLTWQESA-N	0	1	524.529	5.854	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000097952519	553816281	/nfs/dbraw/zinc/81/62/81/553816281.db2.gz	XKBOLMMSDLSLTR-FQEVSTJZSA-N	0	1	525.449	6.466	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000097952527	553816341	/nfs/dbraw/zinc/81/63/41/553816341.db2.gz	KZNLBNCMLXRGFD-LJAQVGFWSA-N	0	1	537.616	5.448	50	30		KKEAMN
CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000097952605	553817014	/nfs/dbraw/zinc/81/70/14/553817014.db2.gz	CZCRITUEPQRFLD-PMERELPUSA-N	0	1	535.644	6.002	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000097952931	553817755	/nfs/dbraw/zinc/81/77/55/553817755.db2.gz	HQIXXXBFSVOSFC-GDLZYMKVSA-N	0	1	543.616	5.814	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000026459101	553818477	/nfs/dbraw/zinc/81/84/77/553818477.db2.gz	TZAFPMZIHSJRFW-SANMLTNESA-N	0	1	523.557	5.783	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F	ZINC000026459165	553818494	/nfs/dbraw/zinc/81/84/94/553818494.db2.gz	VCEZGLGNRQZADY-MHZLTWQESA-N	0	1	513.521	5.785	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000097954061	553820914	/nfs/dbraw/zinc/82/09/14/553820914.db2.gz	ZCZRDCYTIIOVLA-IIMAJNMQSA-N	0	1	541.644	6.222	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCOC)ccc1OCc1ccccc1	ZINC000097954196	553821998	/nfs/dbraw/zinc/82/19/98/553821998.db2.gz	SJTHBNNJFSFNRK-OLILMLBXSA-N	0	1	543.616	5.212	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCOC)ccc1OCc1ccccc1	ZINC000097954194	553822021	/nfs/dbraw/zinc/82/20/21/553822021.db2.gz	SJTHBNNJFSFNRK-WRONEBCDSA-N	0	1	543.616	5.212	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000097954419	553822828	/nfs/dbraw/zinc/82/28/28/553822828.db2.gz	NGPHFQTZCVUTGW-LJAQVGFWSA-N	0	1	539.584	5.963	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000097954737	553824922	/nfs/dbraw/zinc/82/49/22/553824922.db2.gz	UKODMAVGVHFVGM-JIYROHSKSA-N	0	1	545.635	6.410	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000097955012	553827476	/nfs/dbraw/zinc/82/74/76/553827476.db2.gz	JPMUENKNBUIAFD-LFPIHBKWSA-N	0	1	543.557	5.319	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C	ZINC000097955045	553827938	/nfs/dbraw/zinc/82/79/38/553827938.db2.gz	IEGORPQARUCHAZ-SSEXGKCCSA-N	0	1	668.724	6.326	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000097955065	553827982	/nfs/dbraw/zinc/82/79/82/553827982.db2.gz	CVIVALUQPFKQKY-RUZDIDTESA-N	0	1	606.653	5.146	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000097955070	553828359	/nfs/dbraw/zinc/82/83/59/553828359.db2.gz	YSFDQBBREMBCPF-OZAJXLCCSA-N	0	1	623.481	5.888	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1	ZINC000097955100	553828742	/nfs/dbraw/zinc/82/87/42/553828742.db2.gz	TZWIOFFRPCDVQH-NPMABZOXSA-N	0	1	537.424	6.709	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000097955210	553829873	/nfs/dbraw/zinc/82/98/73/553829873.db2.gz	JRSAYIUCLRXWRK-NDEPHWFRSA-N	0	1	544.604	5.209	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(O)cc2)s1	ZINC000027529800	553831618	/nfs/dbraw/zinc/83/16/18/553831618.db2.gz	SRKMRNJDRDZIAM-DEOSSOPVSA-N	0	1	513.575	5.222	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc(Br)c1O	ZINC000097955645	553832514	/nfs/dbraw/zinc/83/25/14/553832514.db2.gz	KHFKIBALSXSCIY-IZHWHUGBSA-N	0	1	550.405	5.265	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OC	ZINC000097955706	553833170	/nfs/dbraw/zinc/83/31/70/553833170.db2.gz	FZJADHXKGAOPQK-MMTVBGGISA-N	0	1	545.636	5.063	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1	ZINC000097955812	553834126	/nfs/dbraw/zinc/83/41/26/553834126.db2.gz	FXYQDBRJQREDIP-ZLOXQWCVSA-N	0	1	547.976	5.964	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1	ZINC000097955811	553834320	/nfs/dbraw/zinc/83/43/20/553834320.db2.gz	FXYQDBRJQREDIP-ZAMGYDSWSA-N	0	1	547.976	5.964	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000097956222	553837027	/nfs/dbraw/zinc/83/70/27/553837027.db2.gz	MMFSSAASUWTSEJ-MUUNZHRXSA-N	0	1	535.556	5.656	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(Cl)cc2)s1	ZINC000097956272	553837326	/nfs/dbraw/zinc/83/73/26/553837326.db2.gz	OKSDWNLDRDSHEN-XMMPIXPASA-N	0	1	532.021	6.170	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000097956572	553839917	/nfs/dbraw/zinc/83/99/17/553839917.db2.gz	JOYRKHIDEAISSM-RJVOLCHMSA-N	0	1	680.754	6.961	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@@H]3c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	ZINC000097960021	553867754	/nfs/dbraw/zinc/86/77/54/553867754.db2.gz	PBWAOCFLQXGNPZ-NGXVIIRPSA-N	0	1	660.924	10.561	50	30		KKEAMN
F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(C=NNc2ncnc3nc[nH]c32)cc1OC(F)(F)[C@@H](F)C(F)(F)F	ZINC000097965329	553904121	/nfs/dbraw/zinc/90/41/21/553904121.db2.gz	LZDKHMCNTBMNCF-OTTGIUETSA-N	0	1	570.294	5.543	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2CCCn2ccnc2)ccc1O	ZINC000097966749	553910047	/nfs/dbraw/zinc/91/00/47/553910047.db2.gz	FORSEMNXOQCWEV-LJAQVGFWSA-N	0	1	553.615	5.153	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1C	ZINC000097966742	553910056	/nfs/dbraw/zinc/91/00/56/553910056.db2.gz	ZSGRRMLUMLRIKX-AREMUKBSSA-N	0	1	571.512	5.237	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000097966812	553910730	/nfs/dbraw/zinc/91/07/30/553910730.db2.gz	AKIYGPRAKYAXMI-QFIPXVFZSA-N	0	1	553.409	6.380	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC	ZINC000097966835	553910752	/nfs/dbraw/zinc/91/07/52/553910752.db2.gz	JSAPNSZNCPHKLB-SSEXGKCCSA-N	0	1	580.637	5.773	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000097966866	553911122	/nfs/dbraw/zinc/91/11/22/553911122.db2.gz	CKCDOWLWXQZWIN-UMSFTDKQSA-N	0	1	582.656	7.540	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OC(C)C	ZINC000097966847	553911253	/nfs/dbraw/zinc/91/12/53/553911253.db2.gz	FOBUOIKFHJJRTL-RUZDIDTESA-N	0	1	547.479	5.390	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000097966887	553911573	/nfs/dbraw/zinc/91/15/73/553911573.db2.gz	NMZIUOXAAOTMEZ-QFIPXVFZSA-N	0	1	555.052	6.160	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)cc1C	ZINC000097966917	553911947	/nfs/dbraw/zinc/91/19/47/553911947.db2.gz	GGSZPINMMQFCSU-SANMLTNESA-N	0	1	571.512	5.237	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	ZINC000097967031	553913087	/nfs/dbraw/zinc/91/30/87/553913087.db2.gz	QCHWFRJWEKFTBU-LJAQVGFWSA-N	0	1	595.523	6.181	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000097967062	553913475	/nfs/dbraw/zinc/91/34/75/553913475.db2.gz	WEGYRGQEFZMWQR-UGDMGKLASA-N	0	1	555.671	6.756	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Br)c2)nc1C	ZINC000097967106	553913825	/nfs/dbraw/zinc/91/38/25/553913825.db2.gz	SBCXRRNKZMSILS-LJQANCHMSA-N	0	1	557.422	5.101	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Br)c2)nc1C	ZINC000097967105	553913919	/nfs/dbraw/zinc/91/39/19/553913919.db2.gz	SBCXRRNKZMSILS-IBGZPJMESA-N	0	1	557.422	5.101	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OC)c2)nc1C	ZINC000097967161	553914331	/nfs/dbraw/zinc/91/43/31/553914331.db2.gz	UCENGCFIEIWUDP-MHZLTWQESA-N	0	1	614.676	6.013	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000097967137	553914349	/nfs/dbraw/zinc/91/43/49/553914349.db2.gz	PIRPXBJZCCOGDX-WJOKGBTCSA-N	0	1	628.648	9.223	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1	ZINC000097967181	553914761	/nfs/dbraw/zinc/91/47/61/553914761.db2.gz	IUXOETNYSHBMNB-YTTGMZPUSA-N	0	1	562.666	6.506	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(Br)cc1	ZINC000097967212	553915260	/nfs/dbraw/zinc/91/52/60/553915260.db2.gz	YBIQUXVMBCRXLY-PMERELPUSA-N	0	1	661.519	10.271	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OC)c2)nc1C	ZINC000097967222	553915288	/nfs/dbraw/zinc/91/52/88/553915288.db2.gz	WWMOEEXRCVSEEM-SANMLTNESA-N	0	1	600.649	5.623	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097967345	553917133	/nfs/dbraw/zinc/91/71/33/553917133.db2.gz	DFEOEXJTMFPHGM-LGGPFLRQSA-N	0	1	627.788	7.424	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097967347	553917233	/nfs/dbraw/zinc/91/72/33/553917233.db2.gz	DFEOEXJTMFPHGM-PBBNMVCDSA-N	0	1	627.788	7.424	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000097967353	553917256	/nfs/dbraw/zinc/91/72/56/553917256.db2.gz	QLFOLMPTJOGJJF-LJAQVGFWSA-N	0	1	611.075	7.083	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097967379	553917678	/nfs/dbraw/zinc/91/76/78/553917678.db2.gz	WLCAPYHJBBGDRB-WYOOIXGGSA-N	0	1	677.848	8.659	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000097967422	553918142	/nfs/dbraw/zinc/91/81/42/553918142.db2.gz	GZHAIEBSDDTKGC-JGCGQSQUSA-N	0	1	577.633	6.214	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(F)cc2)nc1C	ZINC000097967524	553919607	/nfs/dbraw/zinc/91/96/07/553919607.db2.gz	SQCGHJQVHXKBIN-AREMUKBSSA-N	0	1	586.641	6.438	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C	ZINC000097967520	553919857	/nfs/dbraw/zinc/91/98/57/553919857.db2.gz	UPIFVRZCAYIMPN-BHNGRWRESA-N	0	1	721.901	8.914	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC	ZINC000097967614	553921082	/nfs/dbraw/zinc/92/10/82/553921082.db2.gz	VTYJILDFDRBGCA-LJAQVGFWSA-N	0	1	616.692	6.437	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)cc2)nc1C	ZINC000097967647	553921346	/nfs/dbraw/zinc/92/13/46/553921346.db2.gz	ZCDPOBMWERKMFB-MHZLTWQESA-N	0	1	596.661	6.170	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000097967654	553921465	/nfs/dbraw/zinc/92/14/65/553921465.db2.gz	LZRYSKVQLKYAJP-WXTAPIANSA-N	0	1	585.707	6.254	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000097967728	553922230	/nfs/dbraw/zinc/92/22/30/553922230.db2.gz	QTFJONJPXTTYEU-HKBQPEDESA-N	0	1	571.670	6.102	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000097967809	553923588	/nfs/dbraw/zinc/92/35/88/553923588.db2.gz	XMVWXBCFYBTIFF-KEEVHDRGSA-N	0	1	675.804	7.653	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097967858	553923902	/nfs/dbraw/zinc/92/39/02/553923902.db2.gz	USAFZBKKCNZUCZ-NDEPHWFRSA-N	0	1	629.760	6.809	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000097967852	553924021	/nfs/dbraw/zinc/92/40/21/553924021.db2.gz	VUOHDBJGJHSMNN-LBEKAKSKSA-N	0	1	712.677	8.431	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000097967911	553924894	/nfs/dbraw/zinc/92/48/94/553924894.db2.gz	MUKSVNQJAXTHKC-HSZRJFAPSA-N	0	1	561.616	5.524	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC	ZINC000097967921	553924915	/nfs/dbraw/zinc/92/49/15/553924915.db2.gz	DABRFPDAMTVZST-HHHXNRCGSA-N	0	1	606.697	6.176	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1	ZINC000097967901	553924958	/nfs/dbraw/zinc/92/49/58/553924958.db2.gz	CSKQGMBJQACUMI-JGCGQSQUSA-N	0	1	762.693	8.669	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097967905	553924967	/nfs/dbraw/zinc/92/49/67/553924967.db2.gz	OPKIBQHXQNMZKE-JGCGQSQUSA-N	0	1	679.820	8.107	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000097967920	553924984	/nfs/dbraw/zinc/92/49/84/553924984.db2.gz	QGEUBPINKKCXJR-QHCPKHFHSA-N	0	1	612.516	6.691	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000097967928	553925235	/nfs/dbraw/zinc/92/52/35/553925235.db2.gz	MLRNZJPIISMKME-GDLZYMKVSA-N	0	1	694.231	7.616	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000097967946	553925324	/nfs/dbraw/zinc/92/53/24/553925324.db2.gz	INNULSKXRJOIHE-PMERELPUSA-N	0	1	708.258	8.006	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000097967931	553925346	/nfs/dbraw/zinc/92/53/46/553925346.db2.gz	XZKKJLVXNREWMC-UMSFTDKQSA-N	0	1	699.810	8.117	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097967933	553925450	/nfs/dbraw/zinc/92/54/50/553925450.db2.gz	VIIZTXBUECPLDR-SANMLTNESA-N	0	1	634.135	6.603	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097967984	553926101	/nfs/dbraw/zinc/92/61/01/553926101.db2.gz	TZAWULTVEYQWLQ-NDEPHWFRSA-N	0	1	664.205	7.607	50	30		KKEAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2cccc(Cl)c2)C2=C1C(=O)CC(C)(C)C2	ZINC000033353703	553926431	/nfs/dbraw/zinc/92/64/31/553926431.db2.gz	CQENTNJXTSZYFA-AREMUKBSSA-N	0	1	529.946	5.618	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C	ZINC000097968042	553926599	/nfs/dbraw/zinc/92/65/99/553926599.db2.gz	QGCRIZAFTMFGDU-SSEXGKCCSA-N	0	1	673.813	7.208	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000097968022	553926649	/nfs/dbraw/zinc/92/66/49/553926649.db2.gz	LZIYXHLXQALPHM-PMERELPUSA-N	0	1	649.750	6.964	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000097968071	553926982	/nfs/dbraw/zinc/92/69/82/553926982.db2.gz	JBFUHULSNCKJHE-GEFUHLBYSA-N	0	1	740.731	9.211	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000033353779	553926999	/nfs/dbraw/zinc/92/69/99/553926999.db2.gz	BLGRVSHUXLXVHX-WEZXKFLESA-N	0	1	572.658	6.040	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097968088	553927451	/nfs/dbraw/zinc/92/74/51/553927451.db2.gz	CXOKLTNIJWSDPI-XBBWARJSSA-N	0	1	696.678	8.668	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2	ZINC000097968125	553927865	/nfs/dbraw/zinc/92/78/65/553927865.db2.gz	OIBOWBWCADIUFP-QHCPKHFHSA-N	0	1	577.615	5.229	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097968155	553928320	/nfs/dbraw/zinc/92/83/20/553928320.db2.gz	ZZCKGSFVKCACHG-NDEPHWFRSA-N	0	1	647.750	7.093	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097968229	553929180	/nfs/dbraw/zinc/92/91/80/553929180.db2.gz	SKHLCEVCIHEOGY-CRYYWNKWSA-N	0	1	668.624	8.032	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000097968211	553929192	/nfs/dbraw/zinc/92/91/92/553929192.db2.gz	LVKRGTVEFNVLEI-QHCPKHFHSA-N	0	1	579.606	5.663	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097968246	553929626	/nfs/dbraw/zinc/92/96/26/553929626.db2.gz	HSSNVYQIVZIREF-GDLZYMKVSA-N	0	1	677.776	7.101	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097968253	553929657	/nfs/dbraw/zinc/92/96/57/553929657.db2.gz	CLDHMVNPAOCHKK-VWLOTQADSA-N	0	1	656.569	7.090	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097968336	553930756	/nfs/dbraw/zinc/93/07/56/553930756.db2.gz	SNGGSHYCESCDAU-BSEYFRJRSA-N	0	1	644.989	7.897	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000097968325	553930772	/nfs/dbraw/zinc/93/07/72/553930772.db2.gz	UOROABJWCLFQMF-HSZRJFAPSA-N	0	1	579.606	5.663	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000097968326	553930782	/nfs/dbraw/zinc/93/07/82/553930782.db2.gz	UOROABJWCLFQMF-QHCPKHFHSA-N	0	1	579.606	5.663	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000033354680	553930907	/nfs/dbraw/zinc/93/09/07/553930907.db2.gz	QHALWPNBLRJJLP-OSPAZUARSA-N	0	1	632.713	7.022	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097968359	553931424	/nfs/dbraw/zinc/93/14/24/553931424.db2.gz	ADZCMIUICHMHCQ-MUUNZHRXSA-N	0	1	629.760	6.872	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000097968409	553931998	/nfs/dbraw/zinc/93/19/98/553931998.db2.gz	IRGHKHAFJWDBIW-DEOSSOPVSA-N	0	1	642.542	6.700	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000097968405	553932007	/nfs/dbraw/zinc/93/20/07/553932007.db2.gz	OGOFCOBMSZPQBC-PMERELPUSA-N	0	1	667.740	7.103	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O	ZINC000097968420	553932337	/nfs/dbraw/zinc/93/23/37/553932337.db2.gz	KOIGESPLGCVLLV-SFDCACGMSA-N	0	1	611.445	6.018	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097968428	553932548	/nfs/dbraw/zinc/93/25/48/553932548.db2.gz	YYZRVLLJEAUDTB-GDLZYMKVSA-N	0	1	643.787	7.262	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000097969012	553935770	/nfs/dbraw/zinc/93/57/70/553935770.db2.gz	PIQGRIXFJUYODH-WOPWWUTRSA-N	0	1	589.688	6.809	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1	ZINC000097969065	553936249	/nfs/dbraw/zinc/93/62/49/553936249.db2.gz	MTDTZERRYKIWAN-SSEXGKCCSA-N	0	1	600.613	9.648	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000097969112	553936679	/nfs/dbraw/zinc/93/66/79/553936679.db2.gz	STNWURUBNKAIDM-SSEXGKCCSA-N	0	1	550.611	5.852	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097969124	553936880	/nfs/dbraw/zinc/93/68/80/553936880.db2.gz	VWHFSYNIMIFKAS-JCOAXYOVSA-N	0	1	682.223	8.169	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097969135	553937035	/nfs/dbraw/zinc/93/70/35/553937035.db2.gz	DJXHQYVHANNUIN-OYLFLEFRSA-N	0	1	594.089	6.729	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097969170	553937382	/nfs/dbraw/zinc/93/73/82/553937382.db2.gz	IRKSMRLZNNHUNP-JRPXNJEYSA-N	0	1	657.814	7.433	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097969169	553937393	/nfs/dbraw/zinc/93/73/93/553937393.db2.gz	IRKSMRLZNNHUNP-URAOTHONSA-N	0	1	657.814	7.433	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1	ZINC000097969212	553937882	/nfs/dbraw/zinc/93/78/82/553937882.db2.gz	KVPSRJLHQPBXLF-SSEXGKCCSA-N	0	1	582.623	9.509	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000097969215	553938260	/nfs/dbraw/zinc/93/82/60/553938260.db2.gz	GBEGMMCZPIBUON-PMERELPUSA-N	0	1	550.611	5.852	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000097969237	553938313	/nfs/dbraw/zinc/93/83/13/553938313.db2.gz	DQYIJPVUNOQTFJ-IVCQMTBJSA-N	0	1	634.135	6.377	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000097969234	553938415	/nfs/dbraw/zinc/93/84/15/553938415.db2.gz	DQYIJPVUNOQTFJ-CPJLOUKISA-N	0	1	634.135	6.377	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097969246	553938700	/nfs/dbraw/zinc/93/87/00/553938700.db2.gz	SBZJIAGMQCPIMT-WHLCRQNOSA-N	0	1	631.751	7.255	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097969250	553938810	/nfs/dbraw/zinc/93/88/10/553938810.db2.gz	ZBUKCLLNIIMZIB-UPCLLVRISA-N	0	1	576.099	6.590	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000097969443	553941214	/nfs/dbraw/zinc/94/12/14/553941214.db2.gz	KMHRSFJYRZWPMB-GDLZYMKVSA-N	0	1	542.632	5.097	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000097969552	553942265	/nfs/dbraw/zinc/94/22/65/553942265.db2.gz	WKSKMCOHIDHKRF-HSZRJFAPSA-N	0	1	566.632	5.135	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000097969575	553942471	/nfs/dbraw/zinc/94/24/71/553942471.db2.gz	VSJXUWWXBUDXBC-GYCJOSAFSA-N	0	1	559.644	6.076	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097969831	553945588	/nfs/dbraw/zinc/94/55/88/553945588.db2.gz	DXDSHLHFSQDNSQ-DNOBIOAJSA-N	0	1	617.724	6.865	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097969859	553945971	/nfs/dbraw/zinc/94/59/71/553945971.db2.gz	HMFOROSSGMGAEQ-VKGTZQKMSA-N	0	1	629.760	6.734	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097969959	553947431	/nfs/dbraw/zinc/94/74/31/553947431.db2.gz	MVASUSTXHAGVKS-ACSYHNTCSA-N	0	1	643.787	7.124	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097970123	553949904	/nfs/dbraw/zinc/94/99/04/553949904.db2.gz	DEDRDSFMKAOMOW-PPHZAIPVSA-N	0	1	599.734	6.644	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097970150	553950516	/nfs/dbraw/zinc/95/05/16/553950516.db2.gz	MTKXQTKARLKASV-XDBZFTIUSA-N	0	1	647.750	6.873	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000097970193	553950775	/nfs/dbraw/zinc/95/07/75/553950775.db2.gz	OHNHVGRDRMNJPG-UKPGIYTDSA-N	0	1	689.831	8.044	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097970199	553950926	/nfs/dbraw/zinc/95/09/26/553950926.db2.gz	UQNYJGMXKNFWLD-UKPGIYTDSA-N	0	1	689.831	8.044	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000097970305	553952541	/nfs/dbraw/zinc/95/25/41/553952541.db2.gz	OHNPKJGVLJIHBL-PUAOIOHZSA-N	0	1	617.680	5.862	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000097970367	553953287	/nfs/dbraw/zinc/95/32/87/553953287.db2.gz	QLOUPHCQQPCBHU-DEOSSOPVSA-N	0	1	639.480	5.726	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097970365	553953322	/nfs/dbraw/zinc/95/33/22/553953322.db2.gz	YBMLNDVEDOUVEM-XRHLQHRESA-N	0	1	615.708	6.641	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C	ZINC000097970418	553953640	/nfs/dbraw/zinc/95/36/40/553953640.db2.gz	XUDSBENVHAIAHX-WHEQGISXSA-N	0	1	641.496	5.377	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC	ZINC000097970424	553953743	/nfs/dbraw/zinc/95/37/43/553953743.db2.gz	FBPLCFWUZIQWGS-HWRSSNJWSA-N	0	1	593.057	6.082	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097970448	553954084	/nfs/dbraw/zinc/95/40/84/553954084.db2.gz	KBNPZYBIQRYOMH-JIYROHSKSA-N	0	1	685.868	8.213	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000097970439	553954134	/nfs/dbraw/zinc/95/41/34/553954134.db2.gz	IOAKEVYSVCTVOI-RCDICMHDSA-N	0	1	551.020	5.554	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1	ZINC000097970498	553955099	/nfs/dbraw/zinc/95/50/99/553955099.db2.gz	RBUBOAWEJXBRFC-HKBQPEDESA-N	0	1	551.743	8.894	50	30		KKEAMN
O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1)C(F)(F)F	ZINC000033358442	553955791	/nfs/dbraw/zinc/95/57/91/553955791.db2.gz	IPXIYQHZJULSQO-GPNASLBKSA-N	0	1	568.595	7.729	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000033358448	553955784	/nfs/dbraw/zinc/95/57/84/553955784.db2.gz	KHTSBBCEXSDIDZ-YUYWZBKDSA-N	0	1	554.687	7.193	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097970562	553955949	/nfs/dbraw/zinc/95/59/49/553955949.db2.gz	GZRSESOBCJBNCF-JCOAXYOVSA-N	0	1	706.286	8.558	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097970649	553957154	/nfs/dbraw/zinc/95/71/54/553957154.db2.gz	FPQWFEQPZUUKFO-OLILMLBXSA-N	0	1	645.778	7.645	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097970647	553957196	/nfs/dbraw/zinc/95/71/96/553957196.db2.gz	FPQWFEQPZUUKFO-WRONEBCDSA-N	0	1	645.778	7.645	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097970763	553958246	/nfs/dbraw/zinc/95/82/46/553958246.db2.gz	BGJCALJOSRDVQH-XBBWARJSSA-N	0	1	676.216	7.554	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000097970742	553958360	/nfs/dbraw/zinc/95/83/60/553958360.db2.gz	NFVATYSAUKUBCP-QHCPKHFHSA-N	0	1	579.428	5.622	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000097970781	553958627	/nfs/dbraw/zinc/95/86/27/553958627.db2.gz	JAENGFYSVJIPAU-NFQMXDRXSA-N	0	1	515.610	5.054	50	30		KKEAMN
Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000097970954	553959886	/nfs/dbraw/zinc/95/98/86/553959886.db2.gz	DXYCMAVYPSEBEB-SSEXGKCCSA-N	0	1	540.660	5.183	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000097971011	553960234	/nfs/dbraw/zinc/96/02/34/553960234.db2.gz	QSVVUXYLIFCXQN-WYOOIXGGSA-N	0	1	575.661	6.766	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1	ZINC000097971024	553960599	/nfs/dbraw/zinc/96/05/99/553960599.db2.gz	QCJYYMFPYGRORH-KCEHZKJRSA-N	0	1	576.649	6.161	50	30		KKEAMN
CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc1	ZINC000097972058	553965581	/nfs/dbraw/zinc/96/55/81/553965581.db2.gz	HKRRMINZERPOCO-HSZRJFAPSA-N	0	1	528.601	7.052	50	30	biogenic	KKEAMN
CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1	ZINC000097972058	553965584	/nfs/dbraw/zinc/96/55/84/553965584.db2.gz	HKRRMINZERPOCO-HSZRJFAPSA-N	0	1	528.601	7.052	50	30	biogenic	KKEAMN
CCCC1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2cccc3ccccc32)C1=O	ZINC000033923485	553976845	/nfs/dbraw/zinc/97/68/45/553976845.db2.gz	WTMUXVDKPPSSBO-BCJVNPBRSA-N	0	1	510.457	6.245	50	30		KKEAMN
N#Cc1c(Nc2nc3ccccc3nc2N2CCN(C(c3ccccc3)c3ccccc3)CC2)oc(-c2ccccc2)c1-c1ccccc1	ZINC000097984698	554017887	/nfs/dbraw/zinc/01/78/87/554017887.db2.gz	JKHBAEYTNMOLOQ-UHFFFAOYSA-N	0	1	638.775	9.084	50	30		KKEAMN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]3c2cccc(Br)c2)cc1	ZINC000097999726	554045273	/nfs/dbraw/zinc/04/52/73/554045273.db2.gz	VFAOANYDHBAZJF-HEIROHQZSA-N	0	1	632.385	9.279	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	ZINC000097999880	554046518	/nfs/dbraw/zinc/04/65/18/554046518.db2.gz	CAJNJSGKHRQOQR-YLZGDECLSA-N	0	1	683.676	10.452	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	ZINC000097999881	554046744	/nfs/dbraw/zinc/04/67/44/554046744.db2.gz	CAJNJSGKHRQOQR-VFHLRKMQSA-N	0	1	683.676	10.452	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000097999964	554047513	/nfs/dbraw/zinc/04/75/13/554047513.db2.gz	CXRGNZRJGVFBFL-GRMGDBHTSA-N	0	1	625.121	7.589	50	30		KKEAMN
COc1ccc(Nc2nc(N=NCc3cc(Br)cc(Br)c3O)nc(Nc3ccccc3)n2)cc1	ZINC000098001378	554052320	/nfs/dbraw/zinc/05/23/20/554052320.db2.gz	HQNFNFXGUXYADN-LGJNPRDNSA-N	0	1	585.260	6.044	50	30		KKEAMN
COc1cccc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1	ZINC000098003638	554055476	/nfs/dbraw/zinc/05/54/76/554055476.db2.gz	HFWGGMFQMKEJNU-FEERPNRMSA-N	0	1	604.703	7.244	50	30		KKEAMN
COc1cccc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1	ZINC000098003639	554055493	/nfs/dbraw/zinc/05/54/93/554055493.db2.gz	HFWGGMFQMKEJNU-LHAPQZOASA-N	0	1	604.703	7.244	50	30		KKEAMN
CCCCCC(=O)Oc1cccc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)CCCCC)c1	ZINC000098003665	554055656	/nfs/dbraw/zinc/05/56/56/554055656.db2.gz	ZHVBDCYYEBXFPA-WZPDBAAASA-N	0	1	613.198	9.307	50	30		KKEAMN
CCCCCC(=O)Oc1cccc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)CCCCC)c1	ZINC000098003664	554055708	/nfs/dbraw/zinc/05/57/08/554055708.db2.gz	ZHVBDCYYEBXFPA-ZSQPVGNWSA-N	0	1	613.198	9.307	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccco4)CC(=O)C3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000098003694	554055955	/nfs/dbraw/zinc/05/59/55/554055955.db2.gz	NEQHEVFVTKQCLB-OGPYBGEISA-N	0	1	640.689	6.546	50	30		KKEAMN
C=CCOc1c(I)cc([C@@H]2[NH+]=C([O-])NC3=C2CCc2ccccc23)cc1I	ZINC000098045185	554131283	/nfs/dbraw/zinc/13/12/83/554131283.db2.gz	DJQLTTZNGFSUJM-SFHVURJKSA-N	0	1	584.195	5.172	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000098045759	554133795	/nfs/dbraw/zinc/13/37/95/554133795.db2.gz	SRZCALKBJAUAFX-JGCGQSQUSA-N	0	1	563.650	6.981	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000098046472	554139276	/nfs/dbraw/zinc/13/92/76/554139276.db2.gz	DGSGJVJWOITAGE-RUZDIDTESA-N	0	1	593.677	7.070	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000098046468	554139451	/nfs/dbraw/zinc/13/94/51/554139451.db2.gz	BRPXKFOPPZRBOH-RUZDIDTESA-N	0	1	610.132	7.585	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000098046477	554139461	/nfs/dbraw/zinc/13/94/61/554139461.db2.gz	PJRXDMCHOQGXSN-NDEPHWFRSA-N	0	1	634.223	8.569	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098046518	554140140	/nfs/dbraw/zinc/14/01/40/554140140.db2.gz	WYUSOUTZSYHQBY-HHHXNRCGSA-N	0	1	641.702	6.701	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OC	ZINC000098046576	554141165	/nfs/dbraw/zinc/14/11/65/554141165.db2.gz	ZRZCCCZISWHQBN-WRONEBCDSA-N	0	1	542.632	5.761	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000098046590	554141253	/nfs/dbraw/zinc/14/12/53/554141253.db2.gz	OYDSQAHPEVTXLJ-JOCHJYFZSA-N	0	1	525.051	6.973	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2	ZINC000098046581	554141271	/nfs/dbraw/zinc/14/12/71/554141271.db2.gz	BMVHCKBMTSUURO-GDLZYMKVSA-N	0	1	534.568	5.210	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000098046614	554141570	/nfs/dbraw/zinc/14/15/70/554141570.db2.gz	YABPZOCMJCSTOO-AREMUKBSSA-N	0	1	577.058	6.683	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000098046660	554141972	/nfs/dbraw/zinc/14/19/72/554141972.db2.gz	BKZJNMFXCPNIIW-NRFANRHFSA-N	0	1	551.577	5.108	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000098046709	554142777	/nfs/dbraw/zinc/14/27/77/554142777.db2.gz	WWKZJINWBZLDOU-HSZRJFAPSA-N	0	1	577.615	5.664	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000098046754	554143148	/nfs/dbraw/zinc/14/31/48/554143148.db2.gz	XVTUOWPUDQLWBI-DEOSSOPVSA-N	0	1	533.452	5.083	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H]1c1cccnc1)c1ccccc1	ZINC000098046841	554144222	/nfs/dbraw/zinc/14/42/22/554144222.db2.gz	MLMHKXOYPYJJHZ-FQEVSTJZSA-N	0	1	521.023	5.662	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000098047047	554146052	/nfs/dbraw/zinc/14/60/52/554146052.db2.gz	KDSYNJDXIAOOQO-HKBQPEDESA-N	0	1	568.670	5.653	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047236	554147955	/nfs/dbraw/zinc/14/79/55/554147955.db2.gz	JKHVVQXWTISFGP-PMERELPUSA-N	0	1	639.774	8.393	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C(C)C)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000098047387	554149997	/nfs/dbraw/zinc/14/99/97/554149997.db2.gz	JXPCWJMFPKAQNJ-QHCPKHFHSA-N	0	1	567.664	5.649	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000098047375	554150064	/nfs/dbraw/zinc/15/00/64/554150064.db2.gz	CWPQKJZIKPFBJR-HKBQPEDESA-N	0	1	649.794	8.585	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccnc2)cc1	ZINC000098047371	554150096	/nfs/dbraw/zinc/15/00/96/554150096.db2.gz	OGRGTXCZMUMUGJ-DEOSSOPVSA-N	0	1	558.685	6.187	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000098047395	554150591	/nfs/dbraw/zinc/15/05/91/554150591.db2.gz	SHWUVZWMEWCZRM-DEOSSOPVSA-N	0	1	596.105	7.113	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCCC)cc2)cc1	ZINC000098047435	554150938	/nfs/dbraw/zinc/15/09/38/554150938.db2.gz	HSEDCKQSNYZDQV-MHZLTWQESA-N	0	1	606.741	7.015	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000098047427	554150972	/nfs/dbraw/zinc/15/09/72/554150972.db2.gz	OADQZZKAYRLKLA-PMERELPUSA-N	0	1	661.821	8.500	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OC	ZINC000098047476	554151355	/nfs/dbraw/zinc/15/13/55/554151355.db2.gz	GSXOEHICQPRRHP-GDLZYMKVSA-N	0	1	678.232	8.019	50	30		KKEAMN
CCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC	ZINC000098047454	554151518	/nfs/dbraw/zinc/15/15/18/554151518.db2.gz	FBZIBTFUBNXPCM-MGBGTMOVSA-N	0	1	701.911	9.068	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000098047507	554151735	/nfs/dbraw/zinc/15/17/35/554151735.db2.gz	WTXAZXBVUUBPSW-WJOKGBTCSA-N	0	1	654.785	7.805	50	30		KKEAMN
CCCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OC	ZINC000098047497	554151913	/nfs/dbraw/zinc/15/19/13/554151913.db2.gz	NBSXFIGFUSKVPV-JGCGQSQUSA-N	0	1	692.875	8.584	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCCC)cc2)cc1	ZINC000098047486	554151918	/nfs/dbraw/zinc/15/19/18/554151918.db2.gz	PBUITCZRCMXHQR-NDEPHWFRSA-N	0	1	650.222	8.234	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000098047483	554151925	/nfs/dbraw/zinc/15/19/25/554151925.db2.gz	CDJKJDVELALLOC-HHHXNRCGSA-N	0	1	629.760	6.887	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1	ZINC000098047528	554152148	/nfs/dbraw/zinc/15/21/48/554152148.db2.gz	OFXCZIGOWHBDKZ-SSEXGKCCSA-N	0	1	664.821	7.804	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC	ZINC000098047521	554152298	/nfs/dbraw/zinc/15/22/98/554152298.db2.gz	VMDRZXPFPRNLKW-VWLOTQADSA-N	0	1	592.670	5.773	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000098047551	554152600	/nfs/dbraw/zinc/15/26/00/554152600.db2.gz	MZTQKQQZAQQZRY-XMMPIXPASA-N	0	1	593.658	6.134	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000098047594	554153111	/nfs/dbraw/zinc/15/31/11/554153111.db2.gz	SVHBUKYXBLDGHG-SANMLTNESA-N	0	1	616.721	7.009	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000098047610	554153450	/nfs/dbraw/zinc/15/34/50/554153450.db2.gz	OAEUFPLORWPBJC-SANMLTNESA-N	0	1	616.721	7.009	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1	ZINC000098047628	554153490	/nfs/dbraw/zinc/15/34/90/554153490.db2.gz	UFRQAYFGHVMZRK-HKBQPEDESA-N	0	1	691.847	8.509	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccccc2F)cc1	ZINC000098047614	554153534	/nfs/dbraw/zinc/15/35/34/554153534.db2.gz	FOCQYMYLNIKFEL-VWLOTQADSA-N	0	1	593.677	7.070	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC	ZINC000098047608	554153569	/nfs/dbraw/zinc/15/35/69/554153569.db2.gz	VHLMYHHSQSQALX-PMERELPUSA-N	0	1	657.814	7.674	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000098047602	554153681	/nfs/dbraw/zinc/15/36/81/554153681.db2.gz	FXPKIFNQBLOIJL-VWLOTQADSA-N	0	1	637.139	7.354	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000098047645	554153918	/nfs/dbraw/zinc/15/39/18/554153918.db2.gz	LSLAHSNYEOXPAK-RUZDIDTESA-N	0	1	610.132	7.585	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2cccc(F)c2)cc1	ZINC000098047662	554154377	/nfs/dbraw/zinc/15/43/77/554154377.db2.gz	PBBXXUPRHCKDOF-VWLOTQADSA-N	0	1	610.132	7.585	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C(C)C)cc2)cc1F	ZINC000098047706	554154895	/nfs/dbraw/zinc/15/48/95/554154895.db2.gz	JQHJBZHTIVELQH-LJAQVGFWSA-N	0	1	625.747	8.038	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047736	554155322	/nfs/dbraw/zinc/15/53/22/554155322.db2.gz	XLKVBCMLPBEELP-MHZLTWQESA-N	0	1	613.692	6.923	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC	ZINC000098047740	554155377	/nfs/dbraw/zinc/15/53/77/554155377.db2.gz	KSNLTBZYVNLWNU-LJAQVGFWSA-N	0	1	641.746	7.621	50	30		KKEAMN
CCc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047751	554155436	/nfs/dbraw/zinc/15/54/36/554155436.db2.gz	LDCNYZBTKXQTRM-MUUNZHRXSA-N	0	1	595.721	7.776	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1F	ZINC000098047729	554155501	/nfs/dbraw/zinc/15/55/01/554155501.db2.gz	VPCBQHBXQZNIPZ-GDLZYMKVSA-N	0	1	639.774	8.212	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047767	554155824	/nfs/dbraw/zinc/15/58/24/554155824.db2.gz	BPGJXYOAAPHCCM-MUUNZHRXSA-N	0	1	653.738	6.570	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047839	554156762	/nfs/dbraw/zinc/15/67/62/554156762.db2.gz	YAUOAKWJPBXHIK-WJOKGBTCSA-N	0	1	653.801	8.783	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccs2)nc1C	ZINC000098048011	554158368	/nfs/dbraw/zinc/15/83/68/554158368.db2.gz	DZSWCNPWKYVLBV-DEOSSOPVSA-N	0	1	544.654	6.386	50	30		KKEAMN
CCCCCCCCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000098049871	554169793	/nfs/dbraw/zinc/16/97/93/554169793.db2.gz	JBXPMLAMRLXQDA-FQLXRVMXSA-N	0	1	510.634	6.487	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1/C=N/c1ccccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000100025152	554183282	/nfs/dbraw/zinc/18/32/82/554183282.db2.gz	ZSBBKPKYPCCDSI-HBRQFSJYSA-N	0	1	585.083	7.218	50	30		KKEAMN
Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000100115234	554222922	/nfs/dbraw/zinc/22/29/22/554222922.db2.gz	SFAIYCUSPDTFKU-NDENLUEZSA-N	0	1	579.545	5.808	50	30		KKEAMN
O=C(c1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000100142002	554228212	/nfs/dbraw/zinc/22/82/12/554228212.db2.gz	QQFWVDUPIOHYTC-WRONEBCDSA-N	0	1	529.423	7.801	50	30		KKEAMN
Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3cc(Br)c(O)c(I)c3)S2)c1	ZINC000100193159	554245447	/nfs/dbraw/zinc/24/54/47/554245447.db2.gz	DGHOXNDWCRHLJZ-NVNXTCNLSA-N	0	1	529.197	5.268	50	30		KKEAMN
CCCCCCCCCCCCCCCCCC(=O)NC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC	ZINC000038143155	554265430	/nfs/dbraw/zinc/26/54/30/554265430.db2.gz	KTJPWDKOKGANNX-AREMUKBSSA-O	0	1	537.743	6.219	50	30	in-vitro	KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000049918091	554327076	/nfs/dbraw/zinc/32/70/76/554327076.db2.gz	GGQPJZBVFPWEKT-NYFMKLKXSA-N	0	1	558.634	6.696	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1	ZINC000053289960	554330976	/nfs/dbraw/zinc/33/09/76/554330976.db2.gz	KSOBETNRXXAWKW-SSEXGKCCSA-N	0	1	533.580	5.815	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000053291626	554332125	/nfs/dbraw/zinc/33/21/25/554332125.db2.gz	OZLYJYQEWULCCQ-NRFANRHFSA-N	0	1	522.941	5.658	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000053306591	554333948	/nfs/dbraw/zinc/33/39/48/554333948.db2.gz	QPYRHDIMAVDPLN-FQEVSTJZSA-N	0	1	561.443	6.035	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Br)c2)cc1	ZINC000053306528	554334054	/nfs/dbraw/zinc/33/40/54/554334054.db2.gz	GHCCEYULCOYILE-QFIPXVFZSA-N	0	1	551.418	5.859	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000053306651	554334273	/nfs/dbraw/zinc/33/42/73/554334273.db2.gz	QFHZIBIAMOAKLM-OAQYLSRUSA-N	0	1	523.383	6.289	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1	ZINC000053307322	554335031	/nfs/dbraw/zinc/33/50/31/554335031.db2.gz	UEWVPLYATWSAPW-JOCHJYFZSA-N	0	1	519.966	6.258	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000053308164	554335587	/nfs/dbraw/zinc/33/55/87/554335587.db2.gz	OZFJBWPVRNXWCW-OAQYLSRUSA-N	0	1	523.383	6.289	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000053319112	554336005	/nfs/dbraw/zinc/33/60/05/554336005.db2.gz	DIXSSDSCIGFTNR-NRFANRHFSA-N	0	1	573.454	6.201	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)no1	ZINC000053319276	554337003	/nfs/dbraw/zinc/33/70/03/554337003.db2.gz	GPKIBOUVZHBJKU-HXUWFJFHSA-N	0	1	526.343	5.426	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000053319348	554337329	/nfs/dbraw/zinc/33/73/29/554337329.db2.gz	IBYSMJGJRJAVLP-OAQYLSRUSA-N	0	1	551.577	5.025	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1	ZINC000053319316	554337336	/nfs/dbraw/zinc/33/73/36/554337336.db2.gz	SZOMMJMIHKBFGV-QFIPXVFZSA-N	0	1	553.865	7.112	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000053319361	554337477	/nfs/dbraw/zinc/33/74/77/554337477.db2.gz	LFDZYHZYPREMLE-QCBOHVIISA-N	0	1	588.714	9.484	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000053319396	554337552	/nfs/dbraw/zinc/33/75/52/554337552.db2.gz	KMFWGWIOMMNFPI-OAQYLSRUSA-N	0	1	529.376	6.534	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000053319396	554337556	/nfs/dbraw/zinc/33/75/56/554337556.db2.gz	KMFWGWIOMMNFPI-OAQYLSRUSA-N	0	1	529.376	6.534	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1C	ZINC000053319393	554337663	/nfs/dbraw/zinc/33/76/63/554337663.db2.gz	HPLUMIAKUYCBTA-RUZDIDTESA-N	0	1	535.438	6.110	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000053319435	554337817	/nfs/dbraw/zinc/33/78/17/554337817.db2.gz	YLURVBPDUSIJMS-QCBOHVIISA-N	0	1	565.714	8.373	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc(Cl)c2)s1	ZINC000053319402	554337939	/nfs/dbraw/zinc/33/79/39/554337939.db2.gz	AZWCBJGTELRWDP-DEOSSOPVSA-N	0	1	532.021	6.170	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2	ZINC000053332628	554338936	/nfs/dbraw/zinc/33/89/36/554338936.db2.gz	CKBLOMPTIFNWSX-QFIPXVFZSA-N	0	1	583.847	6.266	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCC)c(OC)c3)sc2c1	ZINC000053334030	554339702	/nfs/dbraw/zinc/33/97/02/554339702.db2.gz	HAAWHQBQZDKXIF-HHHXNRCGSA-N	0	1	588.638	5.656	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000053333693	554339747	/nfs/dbraw/zinc/33/97/47/554339747.db2.gz	XLCWGWZAAIEWAZ-SHACYNPGSA-N	0	1	533.005	6.065	50	30		KKEAMN
O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1	ZINC000053334018	554339812	/nfs/dbraw/zinc/33/98/12/554339812.db2.gz	KOGLUBGNPXGHJU-UKPGIYTDSA-N	0	1	572.467	8.739	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000053335089	554340805	/nfs/dbraw/zinc/34/08/05/554340805.db2.gz	YGTDKUJUBKRPCM-WJOKGBTCSA-N	0	1	563.606	5.824	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1	ZINC000053336197	554341558	/nfs/dbraw/zinc/34/15/58/554341558.db2.gz	SKYDUIRPIPWPIR-NFQMXDRXSA-N	0	1	550.533	5.945	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000053340150	554343802	/nfs/dbraw/zinc/34/38/02/554343802.db2.gz	RQGZFDXKYQFYSC-XMMPIXPASA-N	0	1	593.455	6.012	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1OC	ZINC000053359619	554344948	/nfs/dbraw/zinc/34/49/48/554344948.db2.gz	RZVXFMYOFMTGIN-GZGVDWRWSA-N	0	1	579.096	7.880	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1F)c1ccc(Br)cc1	ZINC000100439711	554393392	/nfs/dbraw/zinc/39/33/92/554393392.db2.gz	KRLFDPVMZRCLBS-NHFXJNLRSA-N	0	1	531.175	5.977	50	30		KKEAMN
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1O	ZINC000059835536	554437357	/nfs/dbraw/zinc/43/73/57/554437357.db2.gz	WDINUCGUCYAZPN-YMGMXPECSA-N	0	1	531.565	5.696	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000100674838	554443248	/nfs/dbraw/zinc/44/32/48/554443248.db2.gz	CYUSCEGYAVXRII-XMMPIXPASA-N	0	1	617.551	7.533	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000100674841	554443281	/nfs/dbraw/zinc/44/32/81/554443281.db2.gz	CYUSCEGYAVXRII-DEOSSOPVSA-N	0	1	617.551	7.533	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000100677220	554444277	/nfs/dbraw/zinc/44/42/77/554444277.db2.gz	KNLQZTPNQHSPAT-GOSISDBHSA-N	0	1	545.386	5.231	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000100677296	554444622	/nfs/dbraw/zinc/44/46/22/554444622.db2.gz	WHHCKOUJDOSJIP-XMMPIXPASA-N	0	1	580.659	5.607	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000100677314	554444631	/nfs/dbraw/zinc/44/46/31/554444631.db2.gz	QUVIUIJPRNAAHF-HSZRJFAPSA-N	0	1	550.633	5.599	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000100677288	554444741	/nfs/dbraw/zinc/44/47/41/554444741.db2.gz	YCFSLPJJEAMVOS-HHHXNRCGSA-N	0	1	606.741	7.159	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000100677692	554444757	/nfs/dbraw/zinc/44/47/57/554444757.db2.gz	FEYBIMZYGRDZPL-DEOSSOPVSA-N	0	1	558.587	6.261	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2F)cc1	ZINC000100679869	554445681	/nfs/dbraw/zinc/44/56/81/554445681.db2.gz	YAVDWDCUYVERTJ-JOCHJYFZSA-N	0	1	538.597	5.729	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2F)cc1	ZINC000100679869	554445682	/nfs/dbraw/zinc/44/56/82/554445682.db2.gz	YAVDWDCUYVERTJ-JOCHJYFZSA-N	0	1	538.597	5.729	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCC=C)cc2)nc1C	ZINC000100680021	554445974	/nfs/dbraw/zinc/44/59/74/554445974.db2.gz	SSEGVPCWDHCFGX-AREMUKBSSA-N	0	1	588.682	6.321	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000100680040	554446105	/nfs/dbraw/zinc/44/61/05/554446105.db2.gz	RNPZETDORCFWDO-RUZDIDTESA-N	0	1	592.670	5.773	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000100680338	554446452	/nfs/dbraw/zinc/44/64/52/554446452.db2.gz	YVHQXGPNUXSLDG-SANMLTNESA-N	0	1	606.697	6.163	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OC)cc2)nc1C	ZINC000100680397	554446700	/nfs/dbraw/zinc/44/67/00/554446700.db2.gz	UCVDXBWRNDVTLI-DEOSSOPVSA-N	0	1	562.644	5.765	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000100681061	554447149	/nfs/dbraw/zinc/44/71/49/554447149.db2.gz	FSMFLUVKEULLDW-NRFANRHFSA-N	0	1	585.476	5.962	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(OC)c2)cc1	ZINC000100681118	554447237	/nfs/dbraw/zinc/44/72/37/554447237.db2.gz	JQWULEAHJXJTIP-QFIPXVFZSA-N	0	1	536.606	5.209	50	30		KKEAMN
CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1	ZINC000100736027	554461357	/nfs/dbraw/zinc/46/13/57/554461357.db2.gz	UKPMASWXOVSXOJ-PSXMRANNSA-N	0	1	604.242	9.136	50	30		KKEAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(Cc2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2	ZINC000100934018	554528269	/nfs/dbraw/zinc/52/82/69/554528269.db2.gz	KJRBPFYPYHGMJT-HHHXNRCGSA-N	0	1	527.518	5.099	50	30		KKEAMN
CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000101069810	554574270	/nfs/dbraw/zinc/57/42/70/554574270.db2.gz	YJHVONARFVQHAW-MOBKVPTQSA-N	0	1	525.786	5.687	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000101069928	554574605	/nfs/dbraw/zinc/57/46/05/554574605.db2.gz	NVTOBINSSBYJKF-WOOAAIBNSA-N	0	1	514.173	5.233	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2	ZINC000101072855	554576479	/nfs/dbraw/zinc/57/64/79/554576479.db2.gz	QQPQCVBIGSNWQX-HOGKFDNTSA-N	0	1	583.847	6.110	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc(Br)c1)c1ccc(F)cc1	ZINC000101100217	554587162	/nfs/dbraw/zinc/58/71/62/554587162.db2.gz	QXRLGRPRXXSOIQ-YDJIHCHBSA-N	0	1	527.346	5.963	50	30		KKEAMN
CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2cc(I)cc(I)c2O)cc1	ZINC000101216133	554682665	/nfs/dbraw/zinc/68/26/65/554682665.db2.gz	QPVMFAFZXGTRLS-LSHDLFTRSA-N	0	1	604.255	5.328	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000101276747	554702941	/nfs/dbraw/zinc/70/29/41/554702941.db2.gz	BADIEQIZDFLCOX-ONQGDUAMSA-N	0	1	596.661	6.530	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C	ZINC000101276837	554703544	/nfs/dbraw/zinc/70/35/44/554703544.db2.gz	LVURCVKOGLSEJK-CJJGVWJISA-N	0	1	604.681	5.617	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C	ZINC000101277300	554703566	/nfs/dbraw/zinc/70/35/66/554703566.db2.gz	OUDMSEHDFGOIQX-DFXXOVSGSA-N	0	1	626.687	6.022	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000101277940	554704206	/nfs/dbraw/zinc/70/42/06/554704206.db2.gz	GYSLBCUTRVVMTG-ONQGDUAMSA-N	0	1	598.652	6.447	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000101277898	554704215	/nfs/dbraw/zinc/70/42/15/554704215.db2.gz	LNXHSGZEHYJOAG-JBCNATCCSA-N	0	1	539.009	5.391	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000101316982	554724362	/nfs/dbraw/zinc/72/43/62/554724362.db2.gz	ICTCBLMTKNFPHE-CZNAVJSXSA-N	0	1	617.680	5.932	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000101316979	554724395	/nfs/dbraw/zinc/72/43/95/554724395.db2.gz	ICTCBLMTKNFPHE-CJJGVWJISA-N	0	1	617.680	5.932	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000101353993	554738968	/nfs/dbraw/zinc/73/89/68/554738968.db2.gz	OGHXRBKLOUSPDW-SGANQWHYSA-N	0	1	557.584	5.710	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000102168833	554890543	/nfs/dbraw/zinc/89/05/43/554890543.db2.gz	UKLVMUDCRJDTDT-CJJGVWJISA-N	0	1	561.506	5.481	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000102168829	554890675	/nfs/dbraw/zinc/89/06/75/554890675.db2.gz	UKLVMUDCRJDTDT-CZNAVJSXSA-N	0	1	561.506	5.481	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000102485301	554937982	/nfs/dbraw/zinc/93/79/82/554937982.db2.gz	PCZQPQFVEMUPLC-ICQXDZJJSA-N	0	1	532.596	5.606	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000102489210	554938862	/nfs/dbraw/zinc/93/88/62/554938862.db2.gz	CRYIVJMFYWQZGP-TXTDGAROSA-N	0	1	535.556	5.499	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)nc1C	ZINC000102491258	554939336	/nfs/dbraw/zinc/93/93/36/554939336.db2.gz	LZMDRPOVRVWVMT-GHNGSUTGSA-N	0	1	500.935	5.047	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102498305	554941497	/nfs/dbraw/zinc/94/14/97/554941497.db2.gz	VSRCKFPLXJIWEU-NHFXJNLRSA-N	0	1	541.448	6.145	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102498295	554941502	/nfs/dbraw/zinc/94/15/02/554941502.db2.gz	VSRCKFPLXJIWEU-YDJIHCHBSA-N	0	1	541.448	6.145	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000102505346	554944323	/nfs/dbraw/zinc/94/43/23/554944323.db2.gz	JBVNZRYWPOVQNP-WGGXKBPPSA-N	0	1	520.585	5.600	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000102513911	554947232	/nfs/dbraw/zinc/94/72/32/554947232.db2.gz	ZBYOHNMGZZENJM-JBCNATCCSA-N	0	1	508.577	5.010	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102519069	554949068	/nfs/dbraw/zinc/94/90/68/554949068.db2.gz	ONOGOGKPMIJYFT-MRJHHRETSA-N	0	1	555.837	6.347	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1	ZINC000102521001	554949712	/nfs/dbraw/zinc/94/97/12/554949712.db2.gz	MSOGVVWTWPJWCB-QMMFTLRZSA-N	0	1	538.172	9.243	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102525769	554951925	/nfs/dbraw/zinc/95/19/25/554951925.db2.gz	LTKAENCPUTVORT-LFVOPCPISA-N	0	1	501.416	6.599	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCOC)cc1	ZINC000102530179	554953672	/nfs/dbraw/zinc/95/36/72/554953672.db2.gz	BHSIDCXIISPMHL-DFXXOVSGSA-N	0	1	515.606	5.431	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000102533304	554954829	/nfs/dbraw/zinc/95/48/29/554954829.db2.gz	JDRZLKXUOYTRIY-AHPONGEQSA-N	0	1	628.648	9.066	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000102537302	554956229	/nfs/dbraw/zinc/95/62/29/554956229.db2.gz	NEZJZKSWDLJSFR-ZHHPLPSFSA-N	0	1	520.994	5.983	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000102539309	554956862	/nfs/dbraw/zinc/95/68/62/554956862.db2.gz	JPQKMYXDRMIGMI-NXLSWJSLSA-N	0	1	544.585	5.117	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102539400	554956989	/nfs/dbraw/zinc/95/69/89/554956989.db2.gz	SOAYPZBZCUOISZ-ZHHPLPSFSA-N	0	1	531.546	5.238	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1	ZINC000102542029	554957639	/nfs/dbraw/zinc/95/76/39/554957639.db2.gz	IVFVOFKUQPBRRD-ZORLYMSLSA-N	0	1	535.744	9.037	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000102543222	554958106	/nfs/dbraw/zinc/95/81/06/554958106.db2.gz	QWLSKZDKAPHNSN-ANBMCXBTSA-N	0	1	575.661	6.262	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1	ZINC000102545037	554958701	/nfs/dbraw/zinc/95/87/01/554958701.db2.gz	FLIHKECCZYLUMX-YDJIHCHBSA-N	0	1	531.175	5.977	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1	ZINC000102548980	554960774	/nfs/dbraw/zinc/96/07/74/554960774.db2.gz	IPAUEBUFQPGGIC-FECHNCLXSA-N	0	1	565.420	6.148	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000102549523	554961136	/nfs/dbraw/zinc/96/11/36/554961136.db2.gz	VINNVDSSNVRWHP-WGGXKBPPSA-N	0	1	611.075	6.926	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000102550622	554961746	/nfs/dbraw/zinc/96/17/46/554961746.db2.gz	JVKAKSHLHFEMRQ-NXLSWJSLSA-N	0	1	527.558	5.565	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000102572648	554971016	/nfs/dbraw/zinc/97/10/16/554971016.db2.gz	JIGOREQASHXBHH-SBXHHDGASA-N	0	1	591.642	5.376	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1	ZINC000102573056	554971221	/nfs/dbraw/zinc/97/12/21/554971221.db2.gz	SSFBZCKGYRYUKV-AHPONGEQSA-N	0	1	533.753	8.598	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000102587649	554973598	/nfs/dbraw/zinc/97/35/98/554973598.db2.gz	VNRCCDVYPQAPMW-CZNAVJSXSA-N	0	1	619.696	6.156	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000102596382	554977048	/nfs/dbraw/zinc/97/70/48/554977048.db2.gz	YMBNXRGZZOZVNI-SBXHHDGASA-N	0	1	608.097	5.890	50	30		KKEAMN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000102597680	554977075	/nfs/dbraw/zinc/97/70/75/554977075.db2.gz	VDVWQKUZTPBCGH-CJJGVWJISA-N	0	1	603.697	6.490	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C	ZINC000102606122	554978690	/nfs/dbraw/zinc/97/86/90/554978690.db2.gz	VQCABXWELQQNRA-CPJLOUKISA-N	0	1	549.649	5.386	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc1OC	ZINC000102606082	554978748	/nfs/dbraw/zinc/97/87/48/554978748.db2.gz	MDOXMGKFDWYYDC-OYLFLEFRSA-N	0	1	535.622	5.140	50	30		KKEAMN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000102620989	554986764	/nfs/dbraw/zinc/98/67/64/554986764.db2.gz	BWSBEXMACLPHON-CZNAVJSXSA-N	0	1	620.152	7.005	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000102624707	554988014	/nfs/dbraw/zinc/98/80/14/554988014.db2.gz	JHQYXTFUCUPEGS-FPRSLYQBSA-N	0	1	609.704	7.072	50	30		KKEAMN
O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000102627166	554988265	/nfs/dbraw/zinc/98/82/65/554988265.db2.gz	SQMXMQUZELFKBI-ZHHPLPSFSA-N	0	1	596.061	6.020	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000102627166	554988268	/nfs/dbraw/zinc/98/82/68/554988268.db2.gz	SQMXMQUZELFKBI-ZHHPLPSFSA-N	0	1	596.061	6.020	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102643852	554991263	/nfs/dbraw/zinc/99/12/63/554991263.db2.gz	KWOQPAOUNJQGLP-VXJPNWOUSA-N	0	1	527.617	5.819	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000102645732	554992233	/nfs/dbraw/zinc/99/22/33/554992233.db2.gz	WLTIEMZVMXNQBY-ICQXDZJJSA-N	0	1	541.644	6.210	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1OCC	ZINC000102649709	554995018	/nfs/dbraw/zinc/99/50/18/554995018.db2.gz	KAVDMLRTYUTWSR-OHIHJGSSSA-N	0	1	592.733	5.122	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C	ZINC000102652209	554996513	/nfs/dbraw/zinc/99/65/13/554996513.db2.gz	GHDQPNUKBRKSTN-VTVSLZSGSA-N	0	1	559.663	5.152	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000102652984	554996834	/nfs/dbraw/zinc/99/68/34/554996834.db2.gz	WONYJSPSLHICTQ-OTQMSCLFSA-N	0	1	599.690	5.567	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102654057	554997804	/nfs/dbraw/zinc/99/78/04/554997804.db2.gz	OBDJIKCBQWKQNK-ZHHPLPSFSA-N	0	1	579.428	5.465	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000102654867	554998057	/nfs/dbraw/zinc/99/80/57/554998057.db2.gz	ITVQGEYQNUMPBG-PLWHFILJSA-N	0	1	585.707	6.097	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000102655474	554998403	/nfs/dbraw/zinc/99/84/03/554998403.db2.gz	BXQHQUBNEOHPCP-YJMWBXFMSA-N	0	1	535.600	5.511	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000102660273	555000183	/nfs/dbraw/zinc/00/01/83/555000183.db2.gz	RKHMZLNNNWTEFP-HALAOQOWSA-N	0	1	594.089	6.573	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000102667636	555001954	/nfs/dbraw/zinc/00/19/54/555001954.db2.gz	DKXXGKSFOXWGCC-LFVOPCPISA-N	0	1	514.719	5.032	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000102675399	555003800	/nfs/dbraw/zinc/00/38/00/555003800.db2.gz	QXAIZQWVOSSERS-HALAOQOWSA-N	0	1	594.089	6.573	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000102689799	555007691	/nfs/dbraw/zinc/00/76/91/555007691.db2.gz	HINTWEKXFNTSDE-ZORLYMSLSA-N	0	1	549.752	8.304	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCOC)ccc1O	ZINC000102697766	555012146	/nfs/dbraw/zinc/01/21/46/555012146.db2.gz	XMQXEXSBEUKPJJ-TXTDGAROSA-N	0	1	531.605	5.137	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000102707229	555015409	/nfs/dbraw/zinc/01/54/09/555015409.db2.gz	RQIKTIDMWOWPJX-TXTDGAROSA-N	0	1	509.558	5.798	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(OC)c1	ZINC000102711781	555016950	/nfs/dbraw/zinc/01/69/50/555016950.db2.gz	MNMOJTDJJDCDGK-ONQGDUAMSA-N	0	1	501.579	5.041	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(OC)c1	ZINC000102711784	555017038	/nfs/dbraw/zinc/01/70/38/555017038.db2.gz	MNMOJTDJJDCDGK-UUALVTFQSA-N	0	1	501.579	5.041	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102715977	555018474	/nfs/dbraw/zinc/01/84/74/555018474.db2.gz	GUNMZNGXYWSPOT-HOGKFDNTSA-N	0	1	537.410	6.387	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000102717139	555019358	/nfs/dbraw/zinc/01/93/58/555019358.db2.gz	HGOUBVNYVWNKEL-WGGXKBPPSA-N	0	1	536.584	5.305	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102722574	555020394	/nfs/dbraw/zinc/02/03/94/555020394.db2.gz	SWGCEHWJSRNVME-HOGKFDNTSA-N	0	1	537.410	6.387	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000102732587	555024117	/nfs/dbraw/zinc/02/41/17/555024117.db2.gz	ZJQPNKPYLOYLSU-MIOXIQPJSA-N	0	1	527.661	6.330	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000102735208	555024924	/nfs/dbraw/zinc/02/49/24/555024924.db2.gz	RSPJHUBADATCRH-VIDUVWHZSA-N	0	1	545.635	6.253	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000102735302	555025328	/nfs/dbraw/zinc/02/53/28/555025328.db2.gz	XESKBVLAHZYSNK-FFMCZVIESA-N	0	1	531.608	6.211	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000102735299	555025342	/nfs/dbraw/zinc/02/53/42/555025342.db2.gz	XESKBVLAHZYSNK-QZDFLZESSA-N	0	1	531.608	6.211	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000102735609	555025854	/nfs/dbraw/zinc/02/58/54/555025854.db2.gz	AQEXSDXEEVLINK-KYWXLPDZSA-N	0	1	504.514	5.524	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1	ZINC000102736940	555026541	/nfs/dbraw/zinc/02/65/41/555026541.db2.gz	CSORDWJNGNFVGM-YMCWBSDSSA-N	0	1	531.521	5.293	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000102770787	555058108	/nfs/dbraw/zinc/05/81/08/555058108.db2.gz	VWGJZVDOQGCMJA-WBMUNJTESA-N	0	1	508.401	5.981	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102771283	555060010	/nfs/dbraw/zinc/06/00/10/555060010.db2.gz	UHFASTFAGTWKTI-YMCWBSDSSA-N	0	1	520.969	6.039	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccnc3)ccc2O1	ZINC000102771479	555060611	/nfs/dbraw/zinc/06/06/11/555060611.db2.gz	CCBGHMPPSNXIIF-LHRXRZTBSA-N	0	1	503.967	5.294	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1ccc(C#N)cc1	ZINC000102857687	555088836	/nfs/dbraw/zinc/08/88/36/555088836.db2.gz	HAVLFYOPVNKRDV-BNHRFMORSA-N	0	1	507.609	7.828	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCOC)ccc1OCc1ccccc1	ZINC000102857732	555088856	/nfs/dbraw/zinc/08/88/56/555088856.db2.gz	AULHMKWAYYUZSM-VXJPNWOUSA-N	0	1	543.616	5.056	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000102859248	555089797	/nfs/dbraw/zinc/08/97/97/555089797.db2.gz	YSGAQSHBVFVYGW-MFWFGDGVSA-N	0	1	589.688	6.652	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000102861062	555091341	/nfs/dbraw/zinc/09/13/41/555091341.db2.gz	AMNFSNAOCTYPLR-ZLYDLHQSSA-N	0	1	501.579	5.794	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000102863427	555093257	/nfs/dbraw/zinc/09/32/57/555093257.db2.gz	HAMUZUFPOMNCCY-YDJIHCHBSA-N	0	1	561.443	5.878	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000102863427	555093258	/nfs/dbraw/zinc/09/32/58/555093258.db2.gz	HAMUZUFPOMNCCY-YDJIHCHBSA-N	0	1	561.443	5.878	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccccc3F)cc2)c1	ZINC000102867700	555096967	/nfs/dbraw/zinc/09/69/67/555096967.db2.gz	CYLVDLXPKPSPMI-NXLSWJSLSA-N	0	1	500.551	5.796	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000102867557	555096998	/nfs/dbraw/zinc/09/69/98/555096998.db2.gz	DIKMFJNLYNZYGU-TXTDGAROSA-N	0	1	513.590	5.301	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nnc(C)s2)c1	ZINC000102868219	555097601	/nfs/dbraw/zinc/09/76/01/555097601.db2.gz	WGDPEFJPAZPAHW-NPJIAGGLSA-N	0	1	527.602	5.369	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccncc2)ccc1O	ZINC000102869840	555099567	/nfs/dbraw/zinc/09/95/67/555099567.db2.gz	YDGOORKFIPSNLR-QMMFTLRZSA-N	0	1	550.611	5.695	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102870507	555100655	/nfs/dbraw/zinc/10/06/55/555100655.db2.gz	UHVXCIDVHLRYIN-YJMWBXFMSA-N	0	1	627.788	7.349	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000102872817	555103497	/nfs/dbraw/zinc/10/34/97/555103497.db2.gz	DGFNFDNWWLJHGS-ZCCBWQDPSA-N	0	1	569.698	6.498	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000102872815	555103513	/nfs/dbraw/zinc/10/35/13/555103513.db2.gz	DGFNFDNWWLJHGS-ZAOVDLIJSA-N	0	1	569.698	6.498	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(C)cc1	ZINC000102874118	555104398	/nfs/dbraw/zinc/10/43/98/555104398.db2.gz	ZOISXTQBGQWXPS-AHPONGEQSA-N	0	1	517.754	8.898	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000102874509	555104581	/nfs/dbraw/zinc/10/45/81/555104581.db2.gz	HBDCCRXFAPMWQP-WOOAAIBNSA-N	0	1	547.416	5.488	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(Br)cc1	ZINC000102877984	555107210	/nfs/dbraw/zinc/10/72/10/555107210.db2.gz	KGWADFOADUCTSV-CJJGVWJISA-N	0	1	550.449	5.795	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(Br)cc1	ZINC000102877982	555107277	/nfs/dbraw/zinc/10/72/77/555107277.db2.gz	KGWADFOADUCTSV-CZNAVJSXSA-N	0	1	550.449	5.795	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1	ZINC000102882863	555111065	/nfs/dbraw/zinc/11/10/65/555111065.db2.gz	WSYBYPDDOWEQBK-NXLSWJSLSA-N	0	1	535.021	6.373	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(OC)c2)cc1	ZINC000102882780	555111104	/nfs/dbraw/zinc/11/11/04/555111104.db2.gz	PTZNZLBNZAIQDZ-AYWGPLOBSA-N	0	1	504.539	5.469	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Br)cc1	ZINC000102882848	555111136	/nfs/dbraw/zinc/11/11/36/555111136.db2.gz	LBULNIIRFPJULS-QMMFTLRZSA-N	0	1	627.620	9.260	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000102884343	555113226	/nfs/dbraw/zinc/11/32/26/555113226.db2.gz	CDONGKQZFJKPBD-FSDXSRJSSA-N	0	1	606.125	6.442	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000102884804	555114542	/nfs/dbraw/zinc/11/45/42/555114542.db2.gz	JXRXVLGONFDOBD-RJIUIVJKSA-N	0	1	577.806	8.915	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102886063	555116291	/nfs/dbraw/zinc/11/62/91/555116291.db2.gz	LRAVKVKLASRJQM-HAQIDCBSSA-N	0	1	591.483	6.407	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102886898	555117789	/nfs/dbraw/zinc/11/77/89/555117789.db2.gz	UPIGAUWMFGGVSC-AHPONGEQSA-N	0	1	571.670	6.090	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000102887295	555118802	/nfs/dbraw/zinc/11/88/02/555118802.db2.gz	YZPKENIGULFGEA-WNQPQFFOSA-N	0	1	620.152	6.832	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000102887300	555118980	/nfs/dbraw/zinc/11/89/80/555118980.db2.gz	YZPKENIGULFGEA-AMKIGSDESA-N	0	1	620.152	6.832	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000102887307	555118989	/nfs/dbraw/zinc/11/89/89/555118989.db2.gz	BBQMRYCDWAPUOX-FZIYRNTBSA-N	0	1	617.724	6.708	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)cc1OCC	ZINC000102887827	555120103	/nfs/dbraw/zinc/12/01/03/555120103.db2.gz	KMRDKHVYUPLKNA-YFVVEFNMSA-N	0	1	537.653	5.436	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000102888065	555120891	/nfs/dbraw/zinc/12/08/91/555120891.db2.gz	LQPONVLMFCMRNH-MOBKVPTQSA-N	0	1	522.941	5.486	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000102889306	555123533	/nfs/dbraw/zinc/12/35/33/555123533.db2.gz	RCMYYDQKANRILW-LXIOPLLASA-N	0	1	576.602	5.411	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000102890226	555125224	/nfs/dbraw/zinc/12/52/24/555125224.db2.gz	HOXAEDYQXMPAGZ-NXLSWJSLSA-N	0	1	527.558	5.565	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000102891188	555126823	/nfs/dbraw/zinc/12/68/23/555126823.db2.gz	HCGBABHEXWJFNQ-OGHRCCBNSA-N	0	1	606.125	6.442	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(OCc2ccccc2)c1	ZINC000102891125	555126833	/nfs/dbraw/zinc/12/68/33/555126833.db2.gz	MUGQYZSPADBXIW-MIOXIQPJSA-N	0	1	534.568	5.054	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000102891278	555126870	/nfs/dbraw/zinc/12/68/70/555126870.db2.gz	SJBLOZWZIUCVCX-HOGKFDNTSA-N	0	1	539.396	6.001	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc(Cl)c2)s1	ZINC000102891657	555127498	/nfs/dbraw/zinc/12/74/98/555127498.db2.gz	JXCNHQWCRJHISQ-SBXHHDGASA-N	0	1	532.021	6.014	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000102892298	555128399	/nfs/dbraw/zinc/12/83/99/555128399.db2.gz	KDUYQVHBPUCGQU-VEZPTTSMSA-N	0	1	557.643	5.556	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000102893382	555130684	/nfs/dbraw/zinc/13/06/84/555130684.db2.gz	JVMCZBMULSOTSG-CJJGVWJISA-N	0	1	604.637	5.118	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000102893352	555130828	/nfs/dbraw/zinc/13/08/28/555130828.db2.gz	KDZFHYFJGVVDAV-DNNDWWBDSA-N	0	1	542.632	5.605	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc(Br)c1O	ZINC000102893572	555131037	/nfs/dbraw/zinc/13/10/37/555131037.db2.gz	AKMWKOGKGLHIMO-BBHOXHGRSA-N	0	1	550.405	5.109	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccnc2)nc1C	ZINC000102895446	555134386	/nfs/dbraw/zinc/13/43/86/555134386.db2.gz	JDLZKCFRKQXHFM-IUKMQXEJSA-N	0	1	539.613	5.563	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102896253	555136020	/nfs/dbraw/zinc/13/60/20/555136020.db2.gz	CWCUOJZEFVEMSI-VEZPTTSMSA-N	0	1	557.643	6.047	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102896256	555136049	/nfs/dbraw/zinc/13/60/49/555136049.db2.gz	CWCUOJZEFVEMSI-QMMFTLRZSA-N	0	1	557.643	6.047	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000102897065	555137167	/nfs/dbraw/zinc/13/71/67/555137167.db2.gz	ZHSFQIIDEAFQJI-NEMSTITPSA-N	0	1	571.680	5.789	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102897504	555137841	/nfs/dbraw/zinc/13/78/41/555137841.db2.gz	QXKVWGXGEMNDAN-AYWGPLOBSA-N	0	1	579.428	5.465	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1	ZINC000102898177	555138212	/nfs/dbraw/zinc/13/82/12/555138212.db2.gz	PXVOAOIZUIXCAX-AHPONGEQSA-N	0	1	547.607	5.701	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000102924926	555149162	/nfs/dbraw/zinc/14/91/62/555149162.db2.gz	XQNVYLGUDWTZJM-KFLIVHAJSA-N	0	1	598.224	9.260	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)cc1OC	ZINC000102925072	555149432	/nfs/dbraw/zinc/14/94/32/555149432.db2.gz	PLXCAGJPOADPOF-MOBKVPTQSA-N	0	1	541.398	5.378	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(N(C)C)cc1	ZINC000102926399	555150933	/nfs/dbraw/zinc/15/09/33/555150933.db2.gz	VTPHNJYCGQNYBW-SZYGQJGOSA-N	0	1	625.692	9.418	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C	ZINC000102926825	555151499	/nfs/dbraw/zinc/15/14/99/555151499.db2.gz	NUQQCOUHJBDLPL-DFXXOVSGSA-N	0	1	628.703	6.246	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102927562	555152195	/nfs/dbraw/zinc/15/21/95/555152195.db2.gz	HNTHMYASZPOISF-GYBOJBDRSA-N	0	1	555.671	6.252	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000102930050	555156457	/nfs/dbraw/zinc/15/64/57/555156457.db2.gz	JWUOYXGDHAIWGE-IUKMQXEJSA-N	0	1	501.539	5.099	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1	ZINC000102930180	555156467	/nfs/dbraw/zinc/15/64/67/555156467.db2.gz	IXGGMNSINWRXPR-TXTDGAROSA-N	0	1	535.556	5.499	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000102930137	555156500	/nfs/dbraw/zinc/15/65/00/555156500.db2.gz	PWUDYMRKDCWQGG-HOGKFDNTSA-N	0	1	508.958	6.114	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000102930441	555156957	/nfs/dbraw/zinc/15/69/57/555156957.db2.gz	CZJCBHFJCKQIBH-HUVRIODYSA-N	0	1	575.661	6.610	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1	ZINC000102934861	555161977	/nfs/dbraw/zinc/16/19/77/555161977.db2.gz	FZNVOHGNCYAYDM-KFLIVHAJSA-N	0	1	582.741	6.016	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1	ZINC000102934904	555162243	/nfs/dbraw/zinc/16/22/43/555162243.db2.gz	FAGMWUHKXRGLDI-RVKWYQKSSA-N	0	1	576.649	6.005	50	30		KKEAMN
CC(=O)C1C(Nc2ccc(Br)cc2)=C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccc(Br)cc1	ZINC000102993681	555193638	/nfs/dbraw/zinc/19/36/38/555193638.db2.gz	QCNSPDJXBZFUHE-VABKMULXSA-N	0	1	521.249	5.610	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000103928911	571369963	/nfs/dbraw/zinc/36/99/63/571369963.db2.gz	IXIGOZMKYFEVSS-YDJIHCHBSA-N	0	1	561.443	5.878	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000103929038	571370111	/nfs/dbraw/zinc/37/01/11/571370111.db2.gz	GYUDLXVMAZJHKC-CJJGVWJISA-N	0	1	584.650	6.364	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(Br)c1	ZINC000104200534	571376783	/nfs/dbraw/zinc/37/67/83/571376783.db2.gz	UDCWKLSZAQHGEV-AYWGPLOBSA-N	0	1	516.432	5.251	50	30		KKEAMN
CCCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCCC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1	ZINC000106014918	571410283	/nfs/dbraw/zinc/41/02/83/571410283.db2.gz	XSNYUNULXNPZAW-XWHIBYANSA-N	0	1	556.703	7.266	50	30		KKEAMN
O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000150339971	571457668	/nfs/dbraw/zinc/45/76/68/571457668.db2.gz	ZXHJIRSEEIEAQG-UHFFFAOYSA-N	0	1	808.141	9.263	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3ccc4ccccc4c3)nc2c1	ZINC000150351472	571462274	/nfs/dbraw/zinc/46/22/74/571462274.db2.gz	XQVFYBAPSAHODE-UVHMKAGCSA-N	0	1	616.196	7.313	50	30		KKEAMN
CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2s1	ZINC000150355620	571463091	/nfs/dbraw/zinc/46/30/91/571463091.db2.gz	OHTDDYMYQRYOJD-VFLNYLIXSA-N	0	1	633.431	8.133	50	30		KKEAMN
C[C@@H](NC(=O)CSc1nc2ccc(/N=C/c3cc(I)cc(I)c3O)cc2s1)c1ccccc1	ZINC000150355596	571463095	/nfs/dbraw/zinc/46/30/95/571463095.db2.gz	SVDGBSMTASESAM-FTQFDPMJSA-N	0	1	699.377	6.931	50	30		KKEAMN
O=C(CSc1nc2ccc(/N=C\c3cc(Br)cc(Br)c3O)cc2s1)Nc1ccc2c(c1)oc1ccccc12	ZINC000150356113	571463162	/nfs/dbraw/zinc/46/31/62/571463162.db2.gz	JYODBTMERIKLBI-AAPHRLRXSA-N	0	1	667.404	8.908	50	30		KKEAMN
CC(=O)c1ccc(NC(=O)CSc2nc3ccc(N=Cc4cc(I)cc(I)c4O)cc3s2)cc1	ZINC000150358163	571463508	/nfs/dbraw/zinc/46/35/08/571463508.db2.gz	OQAKLGCHLWTNPH-LUOAPIJWSA-N	0	1	713.360	6.895	50	30		KKEAMN
CN(C)c1nc(=NN=Cc2cc(I)cc(I)c2OCc2ccc(Cl)cc2Cl)nc(NCc2ccccc2)[nH]1	ZINC000150365639	571464653	/nfs/dbraw/zinc/46/46/53/571464653.db2.gz	QJPXBKWIPJDXEG-LPEPFOFCSA-N	0	1	774.232	7.091	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C	ZINC000150391814	571474102	/nfs/dbraw/zinc/47/41/02/571474102.db2.gz	JSTOTQSGCXBOQK-MIOXIQPJSA-N	0	1	640.714	6.412	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150418394	571486538	/nfs/dbraw/zinc/48/65/38/571486538.db2.gz	JCTKKPYJMAPTQD-XTUFCYCQSA-N	0	1	647.750	6.717	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C	ZINC000150422217	571488238	/nfs/dbraw/zinc/48/82/38/571488238.db2.gz	VVFUEDKKESHPCC-NBXYUPGTSA-N	0	1	689.831	7.743	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C	ZINC000150422222	571488325	/nfs/dbraw/zinc/48/83/25/571488325.db2.gz	VVFUEDKKESHPCC-JNYBUSFRSA-N	0	1	689.831	7.743	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C	ZINC000150424588	571489174	/nfs/dbraw/zinc/48/91/74/571489174.db2.gz	XJUWVZQRZBIWQF-NBXYUPGTSA-N	0	1	689.831	7.743	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000150426543	571490761	/nfs/dbraw/zinc/49/07/61/571490761.db2.gz	GLFTVGYGNRKUDZ-JRPVAJNPSA-N	0	1	668.580	6.874	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCCCCC)c(OC)c2)nc1C	ZINC000150432935	571494257	/nfs/dbraw/zinc/49/42/57/571494257.db2.gz	JKPRQEZJPPJMGG-SSEXGKCCSA-N	0	1	662.805	7.724	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCCCCC)c(OC)c2)nc1C	ZINC000150432941	571494292	/nfs/dbraw/zinc/49/42/92/571494292.db2.gz	JKPRQEZJPPJMGG-PMERELPUSA-N	0	1	662.805	7.724	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000150435020	571495088	/nfs/dbraw/zinc/49/50/88/571495088.db2.gz	FPVFTTCDKDOMTH-ZHHPLPSFSA-N	0	1	630.506	6.674	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1	ZINC000150435808	571495907	/nfs/dbraw/zinc/49/59/07/571495907.db2.gz	CZRCHTXRGJGTMN-TXTDGAROSA-N	0	1	642.686	5.613	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1	ZINC000150445089	571500051	/nfs/dbraw/zinc/50/00/51/571500051.db2.gz	YYWQOSSROGXSSI-SMZGYIOJSA-N	0	1	639.129	7.487	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000150445196	571500064	/nfs/dbraw/zinc/50/00/64/571500064.db2.gz	SFWZOGMPTPFLIR-SZYGQJGOSA-N	0	1	660.748	7.934	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150445846	571500623	/nfs/dbraw/zinc/50/06/23/571500623.db2.gz	OFZMUGYCGMCRGQ-QJGFIUGVSA-N	0	1	662.233	8.003	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000150453840	571503781	/nfs/dbraw/zinc/50/37/81/571503781.db2.gz	CODIWSAMCZRTLB-NXLSWJSLSA-N	0	1	639.480	5.569	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC	ZINC000150457799	571504964	/nfs/dbraw/zinc/50/49/64/571504964.db2.gz	BQOSLCLEHXRQHI-MIOXIQPJSA-N	0	1	635.138	7.315	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150457410	571505067	/nfs/dbraw/zinc/50/50/67/571505067.db2.gz	GOTFXUMMRMZYHF-QJGFIUGVSA-N	0	1	641.771	6.744	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150457915	571505185	/nfs/dbraw/zinc/50/51/85/571505185.db2.gz	OYVLFCJSEYMCOG-NBXYUPGTSA-N	0	1	665.768	7.498	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150458493	571505531	/nfs/dbraw/zinc/50/55/31/571505531.db2.gz	NCJXTFSZHJPPNU-HUVRIODYSA-N	0	1	677.848	8.502	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000150459439	571505704	/nfs/dbraw/zinc/50/57/04/571505704.db2.gz	MGBFBEXJEZOLBN-CFQDGGCTSA-N	0	1	672.759	8.100	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000150460308	571505893	/nfs/dbraw/zinc/50/58/93/571505893.db2.gz	PSQUSMYICFTOTI-UZGIXAGNSA-N	0	1	692.259	8.011	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000150460574	571506039	/nfs/dbraw/zinc/50/60/39/571506039.db2.gz	OGZWQOFRWNQHLP-NBXYUPGTSA-N	0	1	689.831	7.887	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1	ZINC000150460658	571506089	/nfs/dbraw/zinc/50/60/89/571506089.db2.gz	IEOXKJNPQFGQCR-VEZPTTSMSA-N	0	1	641.101	6.935	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150460450	571506113	/nfs/dbraw/zinc/50/61/13/571506113.db2.gz	ALQKXVGNBJDBLA-LHKMDIPOSA-N	0	1	661.777	7.107	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150461051	571506329	/nfs/dbraw/zinc/50/63/29/571506329.db2.gz	DYYSCCKMEOSIMP-JNYBUSFRSA-N	0	1	649.794	7.722	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150462767	571506772	/nfs/dbraw/zinc/50/67/72/571506772.db2.gz	RXELSXPDPPZQLN-NNZNMFTDSA-N	0	1	682.223	8.013	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150463874	571507436	/nfs/dbraw/zinc/50/74/36/571507436.db2.gz	GHIQIZFTIAXKMO-RWMNMRIUSA-N	0	1	657.814	7.358	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000150463850	571507475	/nfs/dbraw/zinc/50/74/75/571507475.db2.gz	FWSCFIOLGYGWHX-QCRSBAEDSA-N	0	1	693.847	8.121	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000150466148	571507946	/nfs/dbraw/zinc/50/79/46/571507946.db2.gz	MXAJRSUWDWHJCK-VXJPNWOUSA-N	0	1	645.778	7.488	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000150469949	571508984	/nfs/dbraw/zinc/50/89/84/571508984.db2.gz	KQNDPJWQAGXGHK-WGGXKBPPSA-N	0	1	694.231	7.459	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000150471597	571509725	/nfs/dbraw/zinc/50/97/25/571509725.db2.gz	ZBTBGLGJEGZDSE-GRBPGWBESA-N	0	1	710.661	8.050	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150475148	571510689	/nfs/dbraw/zinc/51/06/89/571510689.db2.gz	VANUDINXPKNXCS-MIOXIQPJSA-N	0	1	657.770	6.500	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150475100	571510732	/nfs/dbraw/zinc/51/07/32/571510732.db2.gz	KWDAQVVVVWFOET-TXTDGAROSA-N	0	1	645.759	6.415	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150476326	571510847	/nfs/dbraw/zinc/51/08/47/571510847.db2.gz	HSXAVPDVGAGPRN-LHKMDIPOSA-N	0	1	696.678	8.512	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000150475835	571510865	/nfs/dbraw/zinc/51/08/65/571510865.db2.gz	LAOGLNRQSDBICE-LOTNQUKISA-N	0	1	740.731	9.055	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150476833	571511083	/nfs/dbraw/zinc/51/10/83/571511083.db2.gz	RFWJPSNBOKFQGD-TXTDGAROSA-N	0	1	664.205	7.306	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150480663	571512106	/nfs/dbraw/zinc/51/21/06/571512106.db2.gz	ISIQXNWITAGHAT-TXTDGAROSA-N	0	1	698.650	7.960	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000150481693	571512802	/nfs/dbraw/zinc/51/28/02/571512802.db2.gz	KLRNWIFWGCGFSE-SBXHHDGASA-N	0	1	642.542	6.543	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000150484877	571515388	/nfs/dbraw/zinc/51/53/88/571515388.db2.gz	GKZPVEVDUNHMNT-GMBUILNLSA-N	0	1	644.989	7.740	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000150486357	571516357	/nfs/dbraw/zinc/51/63/57/571516357.db2.gz	WGGTVAGDGFMINY-IZSGBISHSA-N	0	1	726.704	8.665	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150488567	571516829	/nfs/dbraw/zinc/51/68/29/571516829.db2.gz	HYLRRDGDSNMCPX-CJJGVWJISA-N	0	1	636.151	6.670	50	30		KKEAMN
Cc1cccn2c(=O)c(C=NNc3ccc([N+](=O)[O-])cc3S(=O)(=O)Nc3ccc(Cl)cc3)c(Nc3ccc(SC(F)F)cc3)nc12	ZINC000170621872	571562781	/nfs/dbraw/zinc/56/27/81/571562781.db2.gz	DBIIIQCWFGNYLG-MHDJOFBISA-N	0	1	686.122	6.870	50	30		KKEAMN
N=C1O[C@H](c2ccc([C@@H]3OC(=N)C(N=Nc4ccccc4)=C3NNc3ccccc3)cc2)C(N=Nc2ccccc2)C1=NNc1ccccc1	ZINC000198725822	571568808	/nfs/dbraw/zinc/56/88/08/571568808.db2.gz	HCBZHEUGOSKSSC-RTJUFTNXSA-N	0	1	660.742	7.656	50	30		KKEAMN
C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(OC)c(O)c5)oc-4c32)cc1OC	ZINC000217617762	571601722	/nfs/dbraw/zinc/60/17/22/571601722.db2.gz	LBRJLXKPXIYOQQ-SFHVURJKSA-N	0	1	530.529	5.284	50	30	biogenic	KKEAMN
CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc(-c4ccc(Cl)cc4)n[nH]3)sc2C1	ZINC000220970181	571604195	/nfs/dbraw/zinc/60/41/95/571604195.db2.gz	IIGFXHVVOLPJCY-OAHLLOKOSA-N	0	1	500.093	6.330	50	30		KKEAMN
C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(OC)c(OC)c5)coc-4c32)cc1OC	ZINC000263586581	572124286	/nfs/dbraw/zinc/12/42/86/572124286.db2.gz	VXSDFOYTDMRXFX-IBGZPJMESA-N	0	1	544.556	5.587	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@H]3CCCc4c5cc(Cl)ccc5[nH]c43)C1=O)O2	ZINC000263586570	572124353	/nfs/dbraw/zinc/12/43/53/572124353.db2.gz	VVZPTPXQBLANKB-IZUCGRKOSA-N	0	1	547.007	5.371	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1C=Nc1c(-c2ccc3ccccc3c2)nc2ccccn21	ZINC000252441298	572260949	/nfs/dbraw/zinc/26/09/49/572260949.db2.gz	NPHVEVGEIMGNJA-UHFFFAOYSA-N	0	1	521.212	7.136	50	30		KKEAMN
CN(C)c1ccc(-c2nc3cc(N=Cc4cc(Br)cc(Br)c4O)ccc3o2)cc1	ZINC000252601281	572267398	/nfs/dbraw/zinc/26/73/98/572267398.db2.gz	DZFDATRPOVMIQB-UHFFFAOYSA-N	0	1	515.205	6.542	50	30		KKEAMN
CCc1ccc(N=C2S/C(=C/c3cc(Cl)cc(Br)c3O)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000252613542	572268442	/nfs/dbraw/zinc/26/84/42/572268442.db2.gz	JCPPAOVPLKYLDI-ZHXICNOMSA-N	0	1	541.898	7.742	50	30		KKEAMN
Oc1c(I)cc(Cl)cc1C=Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1	ZINC000252615588	572268640	/nfs/dbraw/zinc/26/86/40/572268640.db2.gz	JTBCKPKCAPFSJS-UHFFFAOYSA-N	0	1	509.130	6.862	50	30		KKEAMN
O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C=NN=c3nc(Nc4ccccc4)[nH]c(Nc4ccccc4)n3)o2)c1	ZINC000252614180	572268649	/nfs/dbraw/zinc/26/86/49/572268649.db2.gz	JGSXDNJLMOPVGX-UHFFFAOYSA-N	0	1	526.944	6.626	50	30		KKEAMN
CCCCCCCN(CCCCCCC)CN1c2ccccc2C(=Nc2ccc3c(c2)oc2ccccc23)C1=O	ZINC000252617294	572268928	/nfs/dbraw/zinc/26/89/28/572268928.db2.gz	KPVRGYOPAPZBTJ-UHFFFAOYSA-N	0	1	537.748	9.254	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1C=Nc1c(-c2ccc(Cl)cc2Cl)nc2ccccn21	ZINC000252620305	572269377	/nfs/dbraw/zinc/26/93/77/572269377.db2.gz	MBMXBDNORUAECC-UHFFFAOYSA-N	0	1	540.042	7.289	50	30		KKEAMN
Cc1ccc2cc(N=Cc3cc(I)cc(I)c3O)ccc2n1	ZINC000252622925	572269922	/nfs/dbraw/zinc/26/99/22/572269922.db2.gz	OFZSBXAPRIFEQE-UHFFFAOYSA-N	0	1	514.104	5.209	50	30		KKEAMN
Cc1ccc2nc(-c3ccc(N=Cc4cc(I)cc(I)c4O)cc3)sc2c1	ZINC000252624840	572270255	/nfs/dbraw/zinc/27/02/55/572270255.db2.gz	PWGASSSKJKMEBA-UHFFFAOYSA-N	0	1	596.231	6.937	50	30		KKEAMN
COc1ccc(-c2nc3cc(C)ccc3o2)cc1N=Cc1cc(Br)cc(Br)c1O	ZINC000252626063	572270569	/nfs/dbraw/zinc/27/05/69/572270569.db2.gz	QVNSYWRBSIXAIU-UHFFFAOYSA-N	0	1	516.189	6.793	50	30		KKEAMN
Cc1ccc(Nc2nc(=NN=Cc3c(Cl)cccc3Cl)nc(N3CCOCC3)[nH]2)c(Br)c1	ZINC000252627360	572270785	/nfs/dbraw/zinc/27/07/85/572270785.db2.gz	RSPZLEWSSDPUSN-UHFFFAOYSA-N	0	1	537.249	5.276	50	30		KKEAMN
COc1ccc(-c2ccc(C=NN=c3nc(Nc4ccccc4)[nH]c(Nc4ccccc4)n3)o2)c([N+](=O)[O-])c1	ZINC000252643247	572272469	/nfs/dbraw/zinc/27/24/69/572272469.db2.gz	ZTOUFDYAMYDMLB-UHFFFAOYSA-N	0	1	522.525	5.982	50	30		KKEAMN
COc1ccc([C@H](CNC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)c2c[nH]c3ccccc32)cc1	ZINC000253400900	572285134	/nfs/dbraw/zinc/28/51/34/572285134.db2.gz	FFDWFYKAHJNHCB-QVYSEMLRSA-N	0	1	592.648	5.480	50	30		KKEAMN
CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)cc1	ZINC000253406878	572286514	/nfs/dbraw/zinc/28/65/14/572286514.db2.gz	JJSVMLBUBJEKGD-XMMPIXPASA-N	0	1	547.047	7.999	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@@H](c3ccco3)c3ccc(C)cc3)C1=O)O2	ZINC000253412823	572288279	/nfs/dbraw/zinc/28/82/79/572288279.db2.gz	SDLYPVSSERQCAJ-RDJLMJCGSA-N	0	1	541.600	5.282	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC[C@@H](c3c(C)[nH]c4ccccc43)c3ccccc3)C1=O)O2	ZINC000253415049	572289163	/nfs/dbraw/zinc/28/91/63/572289163.db2.gz	ZLDDHSFVIDXEAG-VCORQIIBSA-N	0	1	576.649	5.780	50	30		KKEAMN
CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)CO[P@](=O)([O-])OCC[NH3+]	ZINC000102190344	1069701270	/nfs/dbraw/zinc/70/12/70/1069701270.db2.gz	PGDKJXWZRREZOX-MUUNZHRXSA-N	0	1	593.783	7.766	50	30		KKEAMN
C=C(C)COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(OC)c(O)c5)oc-4c32)ccc1OC	ZINC000217797738	1071293126	/nfs/dbraw/zinc/29/31/26/1071293126.db2.gz	VXDYVOMHJKDTSM-SFHVURJKSA-N	0	1	530.529	5.284	50	30	biogenic	KKEAMN
CCCCCCCCCCC1S/C(=N/N=Cc2cccc(C)c2OS(=O)(=O)c2ccc(Cl)cc2)NC1=O	ZINC000245264198	1072830195	/nfs/dbraw/zinc/83/01/95/1072830195.db2.gz	BZNDPNCBNAXKON-DEOSSOPVSA-N	0	1	564.173	6.868	50	30		KKEAMN
CCCCCCCCCCCCCCC1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)NC1=O	ZINC000245266996	1072830886	/nfs/dbraw/zinc/83/08/86/1072830886.db2.gz	LAZJDBKEJMLVRR-HHHXNRCGSA-N	0	1	729.601	8.992	50	30		KKEAMN
CCCCCCCC1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)NC1=O	ZINC000245284899	1072831198	/nfs/dbraw/zinc/83/11/98/1072831198.db2.gz	USAQALMFIBNDJB-HXUWFJFHSA-N	0	1	631.412	6.261	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000097999821	1072842046	/nfs/dbraw/zinc/84/20/46/1072842046.db2.gz	IPKYEGBPJCQQCX-GNTYDJQKSA-N	0	1	610.795	8.491	50	30		KKEAMN
CCN1CCC[C@@H]1CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=Nc1ccc(OC)cc1	ZINC000254296045	1072845255	/nfs/dbraw/zinc/84/52/55/1072845255.db2.gz	XBTAQGWXKUEPFQ-MQEYJEAISA-N	0	1	527.690	6.363	50	30		KKEAMN
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1c(C)nn2c1nc(Sc1nc3ccccc3s1)c1ccccc12	ZINC000254875638	1072888146	/nfs/dbraw/zinc/88/81/46/1072888146.db2.gz	AVKMDNDLAQTPBO-UHFFFAOYSA-N	0	1	646.780	6.337	50	30		KKEAMN
COc1ccc(CCN2C(=O)C(=O)C(C(=O)c3ccc(Br)cc3)[C@@H]2c2cccs2)cc1OC	ZINC000000626234	551503721	/nfs/dbraw/zinc/50/37/21/551503721.db2.gz	RIXDLINHMGIYCY-QFIPXVFZSA-N	0	1	528.424	5.349	50	30		KKEAMN
COc1ccc(CCN2C(=O)C(=O)C(C(=O)c3ccc(Br)cc3)[C@H]2c2cccs2)cc1OC	ZINC000000626241	551503771	/nfs/dbraw/zinc/50/37/71/551503771.db2.gz	RIXDLINHMGIYCY-JOCHJYFZSA-N	0	1	528.424	5.349	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(OC)cc2)nc1C	ZINC000000631377	551505086	/nfs/dbraw/zinc/50/50/86/551505086.db2.gz	ORGRCOUWMCHZCD-LJQANCHMSA-N	0	1	512.971	5.073	50	30		KKEAMN
O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccc(Cl)cc1)C(F)(F)F	ZINC000000681831	551524770	/nfs/dbraw/zinc/52/47/70/551524770.db2.gz	BRHZQUUPHVDNJY-SSOJOUAXSA-N	0	1	541.913	6.711	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC	ZINC000000702248	551529643	/nfs/dbraw/zinc/52/96/43/551529643.db2.gz	PVTSTXQJIOKOPS-SSEXGKCCSA-N	0	1	580.637	5.773	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000000702748	551529726	/nfs/dbraw/zinc/52/97/26/551529726.db2.gz	CPVIOIUNVGCLJS-XTEPFMGCSA-N	0	1	513.590	5.422	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1	ZINC000000702941	551529902	/nfs/dbraw/zinc/52/99/02/551529902.db2.gz	VCGGMRRONIMNJB-NDEPHWFRSA-N	0	1	594.645	6.771	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000000703083	551530244	/nfs/dbraw/zinc/53/02/44/551530244.db2.gz	BSWBDNYVVBLDHW-VKGTZQKMSA-N	0	1	531.605	5.815	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000000702996	551530295	/nfs/dbraw/zinc/53/02/95/551530295.db2.gz	WIHZESCZGYXRMB-HHHXNRCGSA-N	0	1	515.562	6.238	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3cccs3)sc2c1	ZINC000000703139	551530608	/nfs/dbraw/zinc/53/06/08/551530608.db2.gz	JAVBZXOIYYCHAM-JOCHJYFZSA-N	0	1	502.573	6.286	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(F)cc3)sc2c1	ZINC000000703136	551530692	/nfs/dbraw/zinc/53/06/92/551530692.db2.gz	PZLLSQDSCDPDGB-DEOSSOPVSA-N	0	1	514.534	6.363	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000000703086	551530704	/nfs/dbraw/zinc/53/07/04/551530704.db2.gz	BSWBDNYVVBLDHW-WHLCRQNOSA-N	0	1	531.605	5.815	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000000718124	551535066	/nfs/dbraw/zinc/53/50/66/551535066.db2.gz	SXGANHMVGCHPAB-NGQVCNFZSA-N	0	1	506.602	6.092	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1	ZINC000000718273	551535210	/nfs/dbraw/zinc/53/52/10/551535210.db2.gz	CLXOGWXCTKHVCL-WBBHLRKXSA-N	0	1	508.618	6.420	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3N=C3CC(C)(C)CC(=O)C3[C@H]2c2ccc(N(C)C)cc2)cc(OC)c1OC	ZINC000000719688	551536098	/nfs/dbraw/zinc/53/60/98/551536098.db2.gz	QMKIHUCOMSISGT-SSEXGKCCSA-N	0	1	555.675	6.235	50	30		KKEAMN
CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC	ZINC000001077243	551604476	/nfs/dbraw/zinc/60/44/76/551604476.db2.gz	YPGWWTUKKRPLAV-JYRCXFKTSA-N	0	1	531.565	5.696	50	30		KKEAMN
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OCC)c(O)c([N+](=O)[O-])c2)cc1OC	ZINC000001077419	551604907	/nfs/dbraw/zinc/60/49/07/551604907.db2.gz	GLNIPDWENLHMFW-RBSBEOHCSA-N	0	1	545.592	6.086	50	30		KKEAMN
N#Cc1ccccc1COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1	ZINC000001098451	551608229	/nfs/dbraw/zinc/60/82/29/551608229.db2.gz	XXDSJEHWHZVECD-XDHOZWIPSA-N	0	1	508.386	5.275	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1	ZINC000001103828	551609478	/nfs/dbraw/zinc/60/94/78/551609478.db2.gz	UMFNMKLDGFZXDF-JCOAXYOVSA-N	0	1	562.622	5.771	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1	ZINC000001103826	551609493	/nfs/dbraw/zinc/60/94/93/551609493.db2.gz	UMFNMKLDGFZXDF-BGOLNKOXSA-N	0	1	562.622	5.771	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000001108680	551610691	/nfs/dbraw/zinc/61/06/91/551610691.db2.gz	UMNZQFCATHKRPD-DEOSSOPVSA-N	0	1	503.507	5.220	50	30		KKEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000001199019	551623096	/nfs/dbraw/zinc/62/30/96/551623096.db2.gz	BTEAKCNBQBUOTB-QFIPXVFZSA-N	0	1	507.340	5.178	50	30		KKEAMN
CCOc1ccccc1[C@@H]1C2=C(C[C@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)C(F)(F)F	ZINC000001261120	551633599	/nfs/dbraw/zinc/63/35/99/551633599.db2.gz	JWHPNEHFOAMISW-HMILPKGGSA-N	0	1	536.550	6.557	50	30		KKEAMN
CCOc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)C(F)(F)F	ZINC000001261122	551633618	/nfs/dbraw/zinc/63/36/18/551633618.db2.gz	JWHPNEHFOAMISW-WHLCRQNOSA-N	0	1	536.550	6.557	50	30		KKEAMN
COc1cc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC	ZINC000001323131	551642147	/nfs/dbraw/zinc/64/21/47/551642147.db2.gz	LWEDEMYOOUAYRQ-ROTAYESASA-N	0	1	550.611	6.520	50	30	biogenic	KKEAMN
COc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1OC	ZINC000001409627	551664168	/nfs/dbraw/zinc/66/41/68/551664168.db2.gz	KFGVICPIJUBQSK-OOXUFLSTSA-N	0	1	544.651	7.227	50	30		KKEAMN
COc1ccccc1[C@H]1C(C(=O)c2ccc(Br)cc2)C(=O)C(=O)N1CCc1c[nH]c2ccccc12	ZINC000001413416	551665414	/nfs/dbraw/zinc/66/54/14/551665414.db2.gz	JQWFTZUTKODZRC-VWLOTQADSA-N	0	1	531.406	5.760	50	30		KKEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(F)c1	ZINC000001413420	551665435	/nfs/dbraw/zinc/66/54/35/551665435.db2.gz	CVPUINFFDBTLKT-DEOSSOPVSA-N	0	1	519.370	5.891	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccc(Br)c2)cc1	ZINC000001413535	551665963	/nfs/dbraw/zinc/66/59/63/551665963.db2.gz	DRHSNNFCJKLNPB-RUZDIDTESA-N	0	1	531.406	5.760	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000001413509	551665975	/nfs/dbraw/zinc/66/59/75/551665975.db2.gz	IQAICBGMIWHYDH-MUUNZHRXSA-N	0	1	508.618	6.295	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O	ZINC000001413521	551666031	/nfs/dbraw/zinc/66/60/31/551666031.db2.gz	VUYKZUPLIVQULV-HHHXNRCGSA-N	0	1	512.562	5.102	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c(OC)c1	ZINC000001414749	551666417	/nfs/dbraw/zinc/66/64/17/551666417.db2.gz	JOSTVVMDNIUPDG-SANMLTNESA-N	0	1	500.526	5.145	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@H]3c2ccc(F)cc2)cc1OC	ZINC000001440837	551672979	/nfs/dbraw/zinc/67/29/79/551672979.db2.gz	KJIIWXCQRNKDGE-UKPGIYTDSA-N	0	1	554.643	7.119	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000001451432	551675972	/nfs/dbraw/zinc/67/59/72/551675972.db2.gz	FTMBNLNDEOZMMM-NRFANRHFSA-N	0	1	523.408	6.306	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]3c2cccs2)cc1	ZINC000001453815	551676502	/nfs/dbraw/zinc/67/65/02/551676502.db2.gz	FHAAAGBQBBZVLT-KTBRYMIGSA-N	0	1	596.705	6.997	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cccc(OC)c2)cc1	ZINC000001456948	551676635	/nfs/dbraw/zinc/67/66/35/551676635.db2.gz	PINFLBBQVAGMKE-INJOXJOKSA-N	0	1	530.624	6.918	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1OC	ZINC000001458996	551677676	/nfs/dbraw/zinc/67/76/76/551677676.db2.gz	MFXGBKBDLNCGPF-UGDMGKLASA-N	0	1	520.585	6.511	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000001464739	551679976	/nfs/dbraw/zinc/67/99/76/551679976.db2.gz	PDHCAPGFNALBJQ-GOSISDBHSA-N	0	1	517.390	5.718	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000001467635	551680146	/nfs/dbraw/zinc/68/01/46/551680146.db2.gz	LCYQAIVNMPGBDD-GDLZYMKVSA-N	0	1	542.632	5.097	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000001467605	551680221	/nfs/dbraw/zinc/68/02/21/551680221.db2.gz	QSNCFUOLNYEMGU-GDLZYMKVSA-N	0	1	520.585	6.360	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000001480158	551681565	/nfs/dbraw/zinc/68/15/65/551681565.db2.gz	JRMICMNWKBFTPR-QHCPKHFHSA-N	0	1	536.993	5.758	50	30		KKEAMN
CCCc1sc(/N=C/c2c3c(cc(Br)c2O)oc2c3CCCC2)c(C(=O)OCC)c1C	ZINC000001786846	551700895	/nfs/dbraw/zinc/70/08/95/551700895.db2.gz	JRHAVLGKHRIQHT-RPPGKUMJSA-N	0	1	504.446	7.029	50	30		KKEAMN
COc1ccc(NC(=Nc2nc(CSc3nc4ccccc4s3)cc(=O)[nH]2)NC(=O)c2ccccc2)cc1	ZINC000001838392	551713022	/nfs/dbraw/zinc/71/30/22/551713022.db2.gz	XXUDBLNALRNNHB-UHFFFAOYSA-N	0	1	542.646	5.210	50	30		KKEAMN
COc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1cc(Br)cc(Br)c1O	ZINC000002071748	551747546	/nfs/dbraw/zinc/74/75/46/551747546.db2.gz	BTHUGKQGXIIZRN-BHGWPJFGSA-N	0	1	502.162	6.485	50	30		KKEAMN
CCc1ccccc1/N=C1\S/C(=C\c2cc(Br)cc(Br)c2O)C(=O)N1c1ccccc1CC	ZINC000002081770	551751741	/nfs/dbraw/zinc/75/17/41/551751741.db2.gz	LQESSZXYFUMSCO-XNLNZBGWSA-N	0	1	586.349	7.851	50	30		KKEAMN
CCCCCCCCCn1c2ccccc2nc1/N=C/c1cc(Br)cc(Br)c1O	ZINC000002267360	551804651	/nfs/dbraw/zinc/80/46/51/551804651.db2.gz	KWSVCTJKWJJLPO-WGOQTCKBSA-N	0	1	521.297	7.768	50	30		KKEAMN
O=C(Nc1c(F)c(F)c(Br)c(F)c1F)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F	ZINC000002780272	552188250	/nfs/dbraw/zinc/18/82/50/552188250.db2.gz	HONHFFZSLHZVTE-UHFFFAOYSA-N	0	1	523.162	5.579	50	30		KKEAMN
COc1ccc(NC(=Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)NC(=O)c2ccc(Cl)cc2)cc1	ZINC000002848125	552200670	/nfs/dbraw/zinc/20/06/70/552200670.db2.gz	WMSIIUIVDXDRIX-UHFFFAOYSA-N	0	1	554.459	5.907	50	30		KKEAMN
O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccc(O)c(-c4nc5ccccc5s4)c3)cc2)c([N+](=O)[O-])c1	ZINC000003092144	552287012	/nfs/dbraw/zinc/28/70/12/552287012.db2.gz	ITFVXVFWLCFZQX-JFLMPSFJSA-N	0	1	512.503	7.028	50	30		KKEAMN
Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(I)c3)nc2c1	ZINC000003092035	552287019	/nfs/dbraw/zinc/28/70/19/552287019.db2.gz	WJTFWWVDZSVZKN-YSURURNPSA-N	0	1	553.581	6.972	50	30		KKEAMN
Cc1cc2nc(-c3cccc(/N=C/c4cc(Br)cc(Br)c4O)c3)oc2cc1C	ZINC000003192681	552302408	/nfs/dbraw/zinc/30/24/08/552302408.db2.gz	WOHPDLXLFHADEE-OPEKNORGSA-N	0	1	500.190	7.093	50	30		KKEAMN
CCOC(=O)c1c2c(sc1NC(=O)C(C#N)c1nc3ccccc3nc1Cl)C[C@@H](c1ccccc1)CC2	ZINC000003259758	552325839	/nfs/dbraw/zinc/32/58/39/552325839.db2.gz	CGKADVNCVSBUIU-HKUYNNGSSA-N	0	1	531.037	6.040	50	30		KKEAMN
COc1ccc(C)cc1N1C(=S)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)c2ccccc2)=C1C	ZINC000003359017	552370328	/nfs/dbraw/zinc/37/03/28/552370328.db2.gz	AKUNISDWSDZCED-PMERELPUSA-N	0	1	504.655	7.263	50	30		KKEAMN
COC(=O)c1ccccc1NC(=O)CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2s1	ZINC000003669064	552410484	/nfs/dbraw/zinc/41/04/84/552410484.db2.gz	LQWVRASBDXZOTP-LUOAPIJWSA-N	0	1	546.457	6.577	50	30		KKEAMN
Cc1c(/N=C/c2cc(I)cc(I)c2O)cccc1-c1nc2ncccc2o1	ZINC000004046726	552431079	/nfs/dbraw/zinc/43/10/79/552431079.db2.gz	YJFJMNDYQCBKLT-YSURURNPSA-N	0	1	581.151	5.864	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3C)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000005355134	552498303	/nfs/dbraw/zinc/49/83/03/552498303.db2.gz	HBJUQQYSRAUAOQ-NRFANRHFSA-N	0	1	541.025	5.772	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000005355426	552498623	/nfs/dbraw/zinc/49/86/23/552498623.db2.gz	KOPJVESHNJQPNM-RUZDIDTESA-N	0	1	576.671	6.073	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Cl)c2)c(C)c1	ZINC000005357280	552499752	/nfs/dbraw/zinc/49/97/52/552499752.db2.gz	JYCUKPBWJZSVNC-QFIPXVFZSA-N	0	1	553.036	5.938	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccccc2F)nc1C	ZINC000005927725	552513037	/nfs/dbraw/zinc/51/30/37/552513037.db2.gz	GLTAZSUVMUFFPX-JOCHJYFZSA-N	0	1	536.581	5.423	50	30		KKEAMN
COc1ccc(-c2ccc(C=NN=c3nc(Nc4ccccc4)[nH]c(Nc4ccccc4)n3)o2)c([N+](=O)[O-])c1	ZINC000006136544	552542124	/nfs/dbraw/zinc/54/21/24/552542124.db2.gz	ZTOUFDYAMYDMLB-OGLMXYFKSA-N	0	1	522.525	5.982	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC	ZINC000006143492	552545223	/nfs/dbraw/zinc/54/52/23/552545223.db2.gz	CLEGOJOLOWANOT-HSZRJFAPSA-N	0	1	536.631	5.947	50	30		KKEAMN
Cc1ccc(Nc2nc(N=NCc3cc([N+](=O)[O-])ccc3Cl)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1	ZINC000006245507	552574168	/nfs/dbraw/zinc/57/41/68/552574168.db2.gz	FLKLOLSUMMNQPU-ZCTHSVRISA-N	0	1	557.058	6.390	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1/C=N/c1c(-c2ccc(Cl)cc2Cl)nc2ccccn21	ZINC000006460820	552590173	/nfs/dbraw/zinc/59/01/73/552590173.db2.gz	MBMXBDNORUAECC-KIBLKLHPSA-N	0	1	540.042	7.289	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OC	ZINC000008383414	552986516	/nfs/dbraw/zinc/98/65/16/552986516.db2.gz	WTDQSOGZKIBMRO-SANMLTNESA-N	0	1	634.135	7.420	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OC	ZINC000008383410	552986581	/nfs/dbraw/zinc/98/65/81/552986581.db2.gz	WTDQSOGZKIBMRO-AREMUKBSSA-N	0	1	634.135	7.420	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H]1c1cccs1	ZINC000008383407	552986598	/nfs/dbraw/zinc/98/65/98/552986598.db2.gz	AFJDHUDRDUPQTC-NRFANRHFSA-N	0	1	566.085	7.074	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1O	ZINC000008383464	552986795	/nfs/dbraw/zinc/98/67/95/552986795.db2.gz	LFQNVNJPIDUGLU-RUZDIDTESA-N	0	1	603.653	6.603	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(OCc4ccccc4)cc3)s2)cc1	ZINC000008384005	552988249	/nfs/dbraw/zinc/98/82/49/552988249.db2.gz	QTSGSSZGHKFXRY-WJOKGBTCSA-N	0	1	645.762	8.247	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1O	ZINC000008384064	552988921	/nfs/dbraw/zinc/98/89/21/552988921.db2.gz	QWFKBEYTFLQWEP-DEOSSOPVSA-N	0	1	606.081	6.727	50	30		KKEAMN
COc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1Cn1nc(C)c(Br)c1C	ZINC000008385236	552990671	/nfs/dbraw/zinc/99/06/71/552990671.db2.gz	QKBHDXZRDKNGGN-YCPBAFNGSA-N	0	1	516.654	6.726	50	30		KKEAMN
Cc1ccc2oc(-c3ccc(/N=C/c4cc(I)cc(I)c4O)c(C)c3)nc2c1	ZINC000008386710	552992631	/nfs/dbraw/zinc/99/26/31/552992631.db2.gz	VBFDHLSBVRDRGW-OPEKNORGSA-N	0	1	594.190	6.777	50	30		KKEAMN
CCCCC1S/C(=N/N=C/c2c(OS(=O)(=O)c3ccc(OCC)cc3)ccc3ccccc32)NC1=O	ZINC000008387153	552993319	/nfs/dbraw/zinc/99/33/19/552993319.db2.gz	GXPBRVXJTCFUET-FXZATJRASA-N	0	1	525.652	5.118	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@H]2c2ccc(Br)cc2)C1	ZINC000008396843	552995841	/nfs/dbraw/zinc/99/58/41/552995841.db2.gz	SXAMVZCRYXBWLZ-SANMLTNESA-N	0	1	532.507	7.463	50	30		KKEAMN
COc1ccccc1NC(=O)CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2s1	ZINC000008406775	553007406	/nfs/dbraw/zinc/00/74/06/553007406.db2.gz	NDIRVCOMABUKMR-KBKYJPHKSA-N	0	1	607.349	7.017	50	30		KKEAMN
CCCCc1ccc(/N=C/c2cc(I)cc(I)c2O)c(C)c1	ZINC000008426944	553019064	/nfs/dbraw/zinc/01/90/64/553019064.db2.gz	IDCVSUPWAIENNB-SRZZPIQSSA-N	0	1	519.164	6.003	50	30		KKEAMN
Oc1c(I)cc(I)cc1C=Nc1ccc2[nH]c(-c3ccccc3)nc2c1	ZINC000008427634	553020314	/nfs/dbraw/zinc/02/03/14/553020314.db2.gz	BFURCHACHZIBGR-FOKLQQMPSA-N	0	1	565.152	5.895	50	30		KKEAMN
CCN(CC)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(Br)cc2)cc1	ZINC000008430982	553022197	/nfs/dbraw/zinc/02/21/97/553022197.db2.gz	BOUQXYPUWFZXJH-SSEXGKCCSA-N	0	1	572.547	7.752	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccccc3)[C@H]2c2ccc(OCc3ccccc3)cc2)C1	ZINC000008431807	553024233	/nfs/dbraw/zinc/02/42/33/553024233.db2.gz	DIKSYMCLSKXBQY-XIFFEERXSA-N	0	1	528.652	7.722	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000008432420	553026063	/nfs/dbraw/zinc/02/60/63/553026063.db2.gz	RSEZBMBZLDGGCL-NHRFMIRVSA-N	0	1	592.658	8.204	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000008432779	553027156	/nfs/dbraw/zinc/02/71/56/553027156.db2.gz	QFAMGRNVYIOMRZ-JPZYQRIQSA-N	0	1	546.633	8.314	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000008432780	553027163	/nfs/dbraw/zinc/02/71/63/553027163.db2.gz	QFAMGRNVYIOMRZ-UGDMGKLASA-N	0	1	546.633	8.314	50	30		KKEAMN
Cc1cc(C)cc(-c2nc3cc(/N=C/c4cc(I)cc(I)c4O)ccc3o2)c1	ZINC000008435545	553030736	/nfs/dbraw/zinc/03/07/36/553030736.db2.gz	CTPSRSLADGPISX-OPEKNORGSA-N	0	1	594.190	6.777	50	30		KKEAMN
COc1ccccc1[C@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1c1cccc(C(F)(F)F)c1	ZINC000008439949	553036289	/nfs/dbraw/zinc/03/62/89/553036289.db2.gz	KZILOVKZHBEZGJ-NRFANRHFSA-N	0	1	532.312	6.259	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1	ZINC000008440852	553038693	/nfs/dbraw/zinc/03/86/93/553038693.db2.gz	GZTLKCPGQIJVJN-RSXGOPAZSA-N	0	1	548.433	5.785	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC	ZINC000008441140	553039545	/nfs/dbraw/zinc/03/95/45/553039545.db2.gz	HRVWJIUOTWQXAW-HSZRJFAPSA-N	0	1	532.574	5.591	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccc(O)cc1	ZINC000008441216	553039955	/nfs/dbraw/zinc/03/99/55/553039955.db2.gz	CRPJMSWAZJSHFV-HSZRJFAPSA-N	0	1	541.610	6.065	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccccc1F	ZINC000008441270	553040142	/nfs/dbraw/zinc/04/01/42/553040142.db2.gz	XEOVDIIBNWMQMX-QHCPKHFHSA-N	0	1	543.601	6.499	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000008441225	553040153	/nfs/dbraw/zinc/04/01/53/553040153.db2.gz	MUJFCCUJMRIPPP-GDLZYMKVSA-N	0	1	617.708	8.152	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C[C@H]2CCCO2)cc1	ZINC000008441522	553041179	/nfs/dbraw/zinc/04/11/79/553041179.db2.gz	JWAWBNWTSUPJDF-MATUZCBOSA-N	0	1	505.611	5.336	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1	ZINC000008441754	553042269	/nfs/dbraw/zinc/04/22/69/553042269.db2.gz	DFPLGEHZUMTFMI-SSEXGKCCSA-N	0	1	588.641	8.016	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1	ZINC000008444082	553049046	/nfs/dbraw/zinc/04/90/46/553049046.db2.gz	IVIVMMAVNODBNU-XZJHWRHTSA-N	0	1	570.733	8.747	50	30		KKEAMN
CN(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccc(F)cc2)cc1	ZINC000008694799	553120656	/nfs/dbraw/zinc/12/06/56/553120656.db2.gz	ZSXYUKJFAOIZMK-NDEPHWFRSA-N	0	1	514.670	6.905	50	30		KKEAMN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc(Cl)c2)cc1	ZINC000008695593	553122165	/nfs/dbraw/zinc/12/21/65/553122165.db2.gz	XLYVPGQDWMIFQM-GOXGLGGOSA-N	0	1	519.044	7.863	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000008695577	553122259	/nfs/dbraw/zinc/12/22/59/553122259.db2.gz	WBRPLGYKMHLJHB-QJWGWKRISA-N	0	1	558.631	5.650	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000008766784	553139210	/nfs/dbraw/zinc/13/92/10/553139210.db2.gz	FPEQESNVIKODGI-WRONEBCDSA-N	0	1	520.551	7.025	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)cc1Cl	ZINC000008827793	553156988	/nfs/dbraw/zinc/15/69/88/553156988.db2.gz	XULUFLHLTVOAIM-LJQANCHMSA-N	0	1	503.736	5.190	50	30		KKEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1	ZINC000008900003	553181104	/nfs/dbraw/zinc/18/11/04/553181104.db2.gz	BXUQAMPLIZSQJO-QFIPXVFZSA-N	0	1	508.502	5.375	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000009007741	553198356	/nfs/dbraw/zinc/19/83/56/553198356.db2.gz	LTGKZKZRAVRCDE-QHCPKHFHSA-N	0	1	520.563	5.397	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000009019551	553200978	/nfs/dbraw/zinc/20/09/78/553200978.db2.gz	HWIYMPKWFPJDDX-VWLOTQADSA-N	0	1	525.432	6.510	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000009019982	553201116	/nfs/dbraw/zinc/20/11/16/553201116.db2.gz	DNLGYNVFPNPVOK-MHZLTWQESA-N	0	1	516.594	5.308	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000009019995	553201197	/nfs/dbraw/zinc/20/11/97/553201197.db2.gz	AMJFUHJVOZYLSC-NDEPHWFRSA-N	0	1	506.558	5.969	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000009042298	553202686	/nfs/dbraw/zinc/20/26/86/553202686.db2.gz	TZDHCVAYGOJTMK-FQEVSTJZSA-N	0	1	509.356	5.981	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009046339	553203748	/nfs/dbraw/zinc/20/37/48/553203748.db2.gz	RANIMPPFPPGAGJ-HSZRJFAPSA-N	0	1	524.415	5.103	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Cl)cc1	ZINC000009046748	553204283	/nfs/dbraw/zinc/20/42/83/553204283.db2.gz	XLRHLBKFZWSVQR-SANMLTNESA-N	0	1	505.014	5.367	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Cl)cc1	ZINC000009046748	553204285	/nfs/dbraw/zinc/20/42/85/553204285.db2.gz	XLRHLBKFZWSVQR-SANMLTNESA-N	0	1	505.014	5.367	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(C)=O)cc1	ZINC000009065490	553205922	/nfs/dbraw/zinc/20/59/22/553205922.db2.gz	ZQACNVBXLYLHJI-RCRUUEGKSA-N	0	1	526.589	5.411	50	30	biogenic	KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)c(OCC)c2)cc1C	ZINC000009086119	553208284	/nfs/dbraw/zinc/20/82/84/553208284.db2.gz	MIXHLUPJBLGYDZ-MHZLTWQESA-N	0	1	516.594	5.452	50	30		KKEAMN
Cc1cc(OC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000009086100	553208295	/nfs/dbraw/zinc/20/82/95/553208295.db2.gz	QHVFGRNHICHHAN-DEOSSOPVSA-N	0	1	511.405	6.263	50	30		KKEAMN
COc1cc(C=Nn2c(=S)[nH]nc2-c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccccc1	ZINC000009087240	553208505	/nfs/dbraw/zinc/20/85/05/553208505.db2.gz	MZDXCCPFWCDAND-JFLMPSFJSA-N	0	1	506.584	5.103	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000009185032	553217058	/nfs/dbraw/zinc/21/70/58/553217058.db2.gz	HONSAICEINKHDN-NDEPHWFRSA-N	0	1	530.621	5.611	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000009186503	553217651	/nfs/dbraw/zinc/21/76/51/553217651.db2.gz	DCMXOJHVOCGNTO-IBGZPJMESA-N	0	1	501.416	6.756	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccnc1)c1ccc(F)cc1	ZINC000009210740	553220879	/nfs/dbraw/zinc/22/08/79/553220879.db2.gz	PFBFYOSZGYUSEO-HXUWFJFHSA-N	0	1	504.568	5.147	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000009233757	553224532	/nfs/dbraw/zinc/22/45/32/553224532.db2.gz	ALYUYYKIQOZLFI-RCRUUEGKSA-N	0	1	512.606	6.547	50	30	biogenic	KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000009235611	553225396	/nfs/dbraw/zinc/22/53/96/553225396.db2.gz	NXTFVVMIBYMOJC-JOCHJYFZSA-N	0	1	501.520	5.386	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3OC)sc2c1	ZINC000009236348	553225657	/nfs/dbraw/zinc/22/56/57/553225657.db2.gz	UNCBWENEEHWTPI-QHCPKHFHSA-N	0	1	504.539	5.626	50	30		KKEAMN
O=C(Cc1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000009264234	553228826	/nfs/dbraw/zinc/22/88/26/553228826.db2.gz	JHOCRMSNPIMRPL-SLQAJWMNSA-N	0	1	515.034	7.138	50	30		KKEAMN
COc1ccccc1[C@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)Nc1ccccc1	ZINC000009264335	553229121	/nfs/dbraw/zinc/22/91/21/553229121.db2.gz	INDBITLVUBZOOY-WRGVRERRSA-N	0	1	505.574	6.894	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(O)cc1	ZINC000009272249	553231528	/nfs/dbraw/zinc/23/15/28/553231528.db2.gz	HZDWISINCIUVRJ-NDEPHWFRSA-N	0	1	506.558	5.453	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(Br)c3)nc2c(C)c1	ZINC000009273696	553232187	/nfs/dbraw/zinc/23/21/87/553232187.db2.gz	VVJGRNLRKDNXGU-HXUWFJFHSA-N	0	1	509.381	6.052	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl	ZINC000009292774	553235070	/nfs/dbraw/zinc/23/50/70/553235070.db2.gz	PJAAOLIYZNVFIQ-XMMPIXPASA-N	0	1	508.018	5.511	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1	ZINC000009301917	553236210	/nfs/dbraw/zinc/23/62/10/553236210.db2.gz	BWKNQUILICCDQP-LJAQVGFWSA-N	0	1	526.677	6.011	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000009312105	553240071	/nfs/dbraw/zinc/24/00/71/553240071.db2.gz	XLOQOPKCXREUEG-AFJIDDCJSA-N	0	1	527.617	5.976	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(Br)c3)ccc2O1	ZINC000009312629	553240463	/nfs/dbraw/zinc/24/04/63/553240463.db2.gz	PEPDSEOWSIUHSJ-UPCLLVRISA-N	0	1	504.380	5.551	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000009312766	553240712	/nfs/dbraw/zinc/24/07/12/553240712.db2.gz	AQOXLHRCYZOJFB-OLILMLBXSA-N	0	1	527.617	5.976	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(Cl)c(Cl)c2)s1	ZINC000009329485	553242415	/nfs/dbraw/zinc/24/24/15/553242415.db2.gz	HNNJYIFHCVQULG-OVWNDWIMSA-N	0	1	502.379	5.260	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(Br)cc3)ccc2O1	ZINC000009334544	553243348	/nfs/dbraw/zinc/24/33/48/553243348.db2.gz	CQTBWVBAGCULNB-FYSMJZIKSA-N	0	1	504.380	5.551	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000009354050	553245826	/nfs/dbraw/zinc/24/58/26/553245826.db2.gz	XDRPSZWCHRHSQV-RCRUUEGKSA-N	0	1	525.645	6.400	50	30		KKEAMN
COc1cc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC	ZINC000009357657	553246902	/nfs/dbraw/zinc/24/69/02/553246902.db2.gz	UPNKLMYBXKPODX-URAOTHONSA-N	0	1	524.617	6.023	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1	ZINC000009357537	553246917	/nfs/dbraw/zinc/24/69/17/553246917.db2.gz	DBTLCABPVWVVCQ-BSEYFRJRSA-N	0	1	516.550	5.550	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000009357972	553247267	/nfs/dbraw/zinc/24/72/67/553247267.db2.gz	PBRGMDQWCDQTMI-XMMPIXPASA-N	0	1	510.373	5.586	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccc(O)cc1)c1ccccc1	ZINC000009373704	553250447	/nfs/dbraw/zinc/25/04/47/553250447.db2.gz	BJXZYXRYEDKUGE-NRFANRHFSA-N	0	1	501.589	5.319	50	30		KKEAMN
COc1cc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc(OC)c1OC	ZINC000009380154	553251678	/nfs/dbraw/zinc/25/16/78/553251678.db2.gz	UKSFPVCBBKEFQY-IIMAJNMQSA-N	0	1	526.633	6.269	50	30		KKEAMN
CCCCC1S/C(=N/N=C/c2cc(Br)ccc2OC)N(Cc2ccc(OC)cc2)C1=O	ZINC000009424006	553258231	/nfs/dbraw/zinc/25/82/31/553258231.db2.gz	KFKKKQBDOZDTGA-NNLCKWJRSA-N	0	1	504.450	5.491	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000009424842	553258888	/nfs/dbraw/zinc/25/88/88/553258888.db2.gz	PDYAVSCHANAQMO-NDEPHWFRSA-N	0	1	513.590	5.458	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(O)cc2)cc1	ZINC000009424970	553259079	/nfs/dbraw/zinc/25/90/79/553259079.db2.gz	SZICAGVRBYQZMZ-MUUNZHRXSA-N	0	1	523.589	5.145	50	30		KKEAMN
CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3cc(C(=O)c4ccccc4)ccc3N2C(C)=O)cc1	ZINC000009434621	553263968	/nfs/dbraw/zinc/26/39/68/553263968.db2.gz	RHIWNPRNVMZUPY-SSEXGKCCSA-N	0	1	508.618	6.479	50	30		KKEAMN
COc1ccccc1[C@@H]1C(C(=O)c2ccc(OCc3ccccc3)cc2)C(=O)C(=O)N1Cc1cccnc1	ZINC000009436594	553264521	/nfs/dbraw/zinc/26/45/21/553264521.db2.gz	GMIBGBQBPTWQGM-MUUNZHRXSA-N	0	1	506.558	5.448	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000009451968	553265974	/nfs/dbraw/zinc/26/59/74/553265974.db2.gz	XZJUZLTUJQZCLF-MRDQGFSESA-N	0	1	503.551	5.179	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccco1	ZINC000009452035	553266090	/nfs/dbraw/zinc/26/60/90/553266090.db2.gz	JSUPHSLJZOSFQO-JIYROHSKSA-N	0	1	510.678	8.058	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccco1	ZINC000009452029	553266195	/nfs/dbraw/zinc/26/61/95/553266195.db2.gz	JSUPHSLJZOSFQO-HEIROHQZSA-N	0	1	510.678	8.058	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCOC)cc1	ZINC000009460949	553267134	/nfs/dbraw/zinc/26/71/34/553267134.db2.gz	KJCANPCOJHJEFP-GDLZYMKVSA-N	0	1	529.633	5.978	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc(Cl)c3)cc2)c1	ZINC000009461528	553267808	/nfs/dbraw/zinc/26/78/08/553267808.db2.gz	LQDRESWYGCINLT-NDEPHWFRSA-N	0	1	525.004	6.401	50	30		KKEAMN
CCCCC1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2cccc3ccccc32)C1=O	ZINC000009462144	553268110	/nfs/dbraw/zinc/26/81/10/553268110.db2.gz	ZQQDXVNIFYOVEW-BEVFGFMPSA-N	0	1	524.484	6.635	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000009462088	553268146	/nfs/dbraw/zinc/26/81/46/553268146.db2.gz	HARGPBPRGKWQTP-MUUNZHRXSA-N	0	1	525.004	6.401	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(Br)c3)ccc2O1	ZINC000009471302	553270023	/nfs/dbraw/zinc/27/00/23/553270023.db2.gz	FCNPNBAMKVZKPD-CRICUBBOSA-N	0	1	518.407	5.594	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000009507586	553276003	/nfs/dbraw/zinc/27/60/03/553276003.db2.gz	NLLGBTIKPGBQOU-SANMLTNESA-N	0	1	505.998	5.842	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1C	ZINC000009993823	553324128	/nfs/dbraw/zinc/32/41/28/553324128.db2.gz	IJHWHSPLIOVTET-NDEPHWFRSA-N	0	1	520.670	5.208	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)c(C)c1	ZINC000012311287	553357164	/nfs/dbraw/zinc/35/71/64/553357164.db2.gz	LSCJEUMKYIPMHH-OAQYLSRUSA-N	0	1	522.554	5.033	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000012411383	553363384	/nfs/dbraw/zinc/36/33/84/553363384.db2.gz	FANTWRKFOPMDJF-VOIUYBSRSA-N	0	1	526.611	5.321	50	30		KKEAMN
COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2ccccc2OC)cc1	ZINC000012652394	553410033	/nfs/dbraw/zinc/41/00/33/553410033.db2.gz	DFCSYOZGSFJHOZ-UKPGIYTDSA-N	0	1	520.585	6.511	50	30		KKEAMN
COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2ccccc2OC)cc1	ZINC000012652403	553410053	/nfs/dbraw/zinc/41/00/53/553410053.db2.gz	DFCSYOZGSFJHOZ-BGOLNKOXSA-N	0	1	520.585	6.511	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000013550645	553470146	/nfs/dbraw/zinc/47/01/46/553470146.db2.gz	IGQDBMVSZGYJAR-JOCHJYFZSA-N	0	1	509.414	6.948	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(F)cc3)cc2)c1	ZINC000013569728	553473635	/nfs/dbraw/zinc/47/36/35/553473635.db2.gz	VKSLFTRVUSDXHP-NDEPHWFRSA-N	0	1	508.549	5.887	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000013570119	553473640	/nfs/dbraw/zinc/47/36/40/553473640.db2.gz	KQKKUAMJLZTHJX-MHZLTWQESA-N	0	1	509.562	5.353	50	30		KKEAMN
Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000013571431	553473862	/nfs/dbraw/zinc/47/38/62/553473862.db2.gz	PFNTXYADKVOKBK-LJAQVGFWSA-N	0	1	521.617	5.748	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@H]3c2cccc(F)c2)cc1	ZINC000013893212	553494340	/nfs/dbraw/zinc/49/43/40/553494340.db2.gz	GPJHBWFOIFMUSH-JRPXNJEYSA-N	0	1	524.617	7.110	50	30		KKEAMN
O=C(/C=C/c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1)c1ccc(C2CCCCC2)cc1	ZINC000014361190	553514305	/nfs/dbraw/zinc/51/43/05/553514305.db2.gz	FPFGWASODAZYQR-GHRIWEEISA-N	0	1	513.619	6.481	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000016713772	553575351	/nfs/dbraw/zinc/57/53/51/553575351.db2.gz	QZYJVRHQYCCRAQ-LJAQVGFWSA-N	0	1	529.633	6.437	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(OCC)cc2)nc1C	ZINC000016730277	553576447	/nfs/dbraw/zinc/57/64/47/553576447.db2.gz	QFLPQSWKAXIIMG-NRFANRHFSA-N	0	1	524.570	5.257	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2cccnc2)cc1	ZINC000016730896	553576896	/nfs/dbraw/zinc/57/68/96/553576896.db2.gz	PWCOVFORRURBFT-MHZLTWQESA-N	0	1	516.594	5.446	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F	ZINC000016731496	553577149	/nfs/dbraw/zinc/57/71/49/553577149.db2.gz	VEPTYOXCFBHRHX-NDEPHWFRSA-N	0	1	508.549	5.887	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000016731739	553577342	/nfs/dbraw/zinc/57/73/42/553577342.db2.gz	MQKGIMDVVMMBAX-RUZDIDTESA-N	0	1	509.530	5.393	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000016732174	553577534	/nfs/dbraw/zinc/57/75/34/553577534.db2.gz	GKYKXRIQYCHILN-IBGZPJMESA-N	0	1	517.390	5.752	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1Cl	ZINC000016733399	553578179	/nfs/dbraw/zinc/57/81/79/553578179.db2.gz	IAYUPRIRFFLILK-VWLOTQADSA-N	0	1	500.035	6.256	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOc3cccc(C)c3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000016735716	553578897	/nfs/dbraw/zinc/57/88/97/553578897.db2.gz	WWDBFSZCLLFQHK-MUUNZHRXSA-N	0	1	513.590	5.616	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000016736948	553579095	/nfs/dbraw/zinc/57/90/95/553579095.db2.gz	PMOLETRXSAFIOE-NDEPHWFRSA-N	0	1	525.004	6.401	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000016741416	553579789	/nfs/dbraw/zinc/57/97/89/553579789.db2.gz	SHDUSANTIQGSEP-KCWPFWIISA-N	0	1	513.546	5.007	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccncc2)cc1	ZINC000016742003	553580018	/nfs/dbraw/zinc/58/00/18/553580018.db2.gz	BSNGTCPDMQCYTL-OAQYLSRUSA-N	0	1	516.604	5.017	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3nc(-c4ccccc4)cs3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000016741961	553580029	/nfs/dbraw/zinc/58/00/29/553580029.db2.gz	CWCHMKODJBRVIV-MUUNZHRXSA-N	0	1	522.626	6.462	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccnc2)cc1	ZINC000016742031	553580121	/nfs/dbraw/zinc/58/01/21/553580121.db2.gz	OZTKTTMOKXUMOE-NRFANRHFSA-N	0	1	516.604	5.017	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000016742283	553580147	/nfs/dbraw/zinc/58/01/47/553580147.db2.gz	XXXJXWKBAOZVSS-LJQANCHMSA-N	0	1	508.939	5.421	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccs1)c1ccc(F)cc1	ZINC000016742629	553580638	/nfs/dbraw/zinc/58/06/38/553580638.db2.gz	SREWBZMDRLECBN-LJQANCHMSA-N	0	1	509.609	5.814	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cccc(F)c2)nc1C	ZINC000016805467	553582814	/nfs/dbraw/zinc/58/28/14/553582814.db2.gz	YHERJSRYHOWWCJ-HXUWFJFHSA-N	0	1	510.518	5.164	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000016805429	553582885	/nfs/dbraw/zinc/58/28/85/553582885.db2.gz	AZYAVCLMOAJJQI-SFHVURJKSA-N	0	1	500.935	5.122	50	30		KKEAMN
O=[N+]([O-])c1c(/C=N/c2ccccc2)oc(-c2c(O)ccc3ccccc32)c1-c1c(O)ccc2ccccc21	ZINC000017223137	553590908	/nfs/dbraw/zinc/59/09/08/553590908.db2.gz	WXDGLWDETSFPKY-KCSSXMTESA-N	0	1	500.510	7.990	50	30		KKEAMN
CC[C@H](C)Oc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1	ZINC000070673521	553603724	/nfs/dbraw/zinc/60/37/24/553603724.db2.gz	MHFJRRFBLLMGGM-CUWQHWEFSA-N	0	1	602.731	8.096	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC34CC5CC(CC(C5)C3)C4)[C@@H]2c2ccc(F)cc2)C1	ZINC000018116531	553605083	/nfs/dbraw/zinc/60/50/83/553605083.db2.gz	WJOUFJCMEFCKJO-ZZHIIEOYSA-N	0	1	513.657	7.121	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)[C@H](CC)CCCC)c1	ZINC000018180750	553607706	/nfs/dbraw/zinc/60/77/06/553607706.db2.gz	KGYMHKNNSBSTMO-SLGOVJDISA-N	0	1	516.726	8.225	50	30		KKEAMN
COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2ccc(F)cc2)c1	ZINC000018250725	553611548	/nfs/dbraw/zinc/61/15/48/553611548.db2.gz	LWWZDGPEXWLRMU-WXTAPIANSA-N	0	1	510.487	6.297	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1ccc(C#N)cc1	ZINC000018276795	553611856	/nfs/dbraw/zinc/61/18/56/553611856.db2.gz	HHQBUYJNJNCHOQ-GPNASLBKSA-N	0	1	507.609	7.178	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(C)C)[C@H]3c2cccs2)cc1OC	ZINC000018284670	553612196	/nfs/dbraw/zinc/61/21/96/553612196.db2.gz	YIEXZJKFOWCLTR-GDJIYFAZSA-N	0	1	502.636	6.322	50	30		KKEAMN
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1	ZINC000019202482	553612843	/nfs/dbraw/zinc/61/28/43/553612843.db2.gz	LLJXFFJGMGLGNS-PMERELPUSA-N	0	1	520.080	6.795	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020233052	553618752	/nfs/dbraw/zinc/61/87/52/553618752.db2.gz	WDNJGOGOTQGZDH-LJAQVGFWSA-N	0	1	528.649	5.503	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000019848109	553623312	/nfs/dbraw/zinc/62/33/12/553623312.db2.gz	CXADKESHBNYKDP-IZHWHUGBSA-N	0	1	524.595	5.218	50	30		KKEAMN
Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(Cc3ccccc3)CC2)c1Cc1ccccc1Cl	ZINC000020463417	553656843	/nfs/dbraw/zinc/65/68/43/553656843.db2.gz	NLNITVNIMDBZJF-UHFFFAOYSA-N	0	1	506.053	6.234	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4cc(OC)c(OC)c(OC)c4)C3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000079210052	553670274	/nfs/dbraw/zinc/67/02/74/553670274.db2.gz	VGPDRXMMBPXTSF-YUXVDHEWSA-N	0	1	740.806	6.978	50	30	biogenic	KKEAMN
C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(OC)cc5)coc-4c32)cc1OC	ZINC000085875006	553688385	/nfs/dbraw/zinc/68/83/85/553688385.db2.gz	GGDUBAWAUCRSTC-HXUWFJFHSA-N	0	1	514.530	5.579	50	30	biogenic	KKEAMN
C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(OC)cc5)coc-4c32)cc1OC	ZINC000085874999	553688558	/nfs/dbraw/zinc/68/85/58/553688558.db2.gz	GGDUBAWAUCRSTC-FQEVSTJZSA-N	0	1	514.530	5.579	50	30	biogenic	KKEAMN
Cc1ccc(C)c(CSc2nc3n(n2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N3)c1	ZINC000020850608	553699933	/nfs/dbraw/zinc/69/99/33/553699933.db2.gz	VARRSJMUGKNDNP-HSZRJFAPSA-N	0	1	513.494	7.152	50	30		KKEAMN
CSc1nc(Sc2n[nH]c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc(Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n[nH]2)n1	ZINC000095703724	553708736	/nfs/dbraw/zinc/70/87/36/553708736.db2.gz	JKYWPZWZTJZXEG-UHFFFAOYSA-N	0	1	748.604	9.146	50	30		KKEAMN
CCCCCCCCCC(=O)OCCN1CCN([C@H]2Cc3ccccc3Sc3ccc(OC)cc32)CC1	ZINC000022789165	553750255	/nfs/dbraw/zinc/75/02/55/553750255.db2.gz	JSFYWUNIAAXWNL-NDEPHWFRSA-N	0	1	524.771	6.745	50	30		KKEAMN
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@@H]2c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1	ZINC000097939707	553760483	/nfs/dbraw/zinc/76/04/83/553760483.db2.gz	NWZXCVXQIKRQCP-DNOBIOAJSA-N	0	1	576.627	5.484	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)OCc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939729	553760746	/nfs/dbraw/zinc/76/07/46/553760746.db2.gz	SAIQJGHRUITONW-VKGTZQKMSA-N	0	1	590.654	5.874	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)OCc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939732	553760827	/nfs/dbraw/zinc/76/08/27/553760827.db2.gz	SAIQJGHRUITONW-WHLCRQNOSA-N	0	1	590.654	5.874	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939995	553763044	/nfs/dbraw/zinc/76/30/44/553763044.db2.gz	RRLYUKPELBVMDM-NGOKVRLYSA-N	0	1	574.655	5.908	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939996	553763063	/nfs/dbraw/zinc/76/30/63/553763063.db2.gz	RRLYUKPELBVMDM-PIIWDFAUSA-N	0	1	574.655	5.908	50	30		KKEAMN
O=C(c1cccs1)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl	ZINC000097945473	553772420	/nfs/dbraw/zinc/77/24/20/553772420.db2.gz	DXXCNCQXSWPXML-SLQAJWMNSA-N	0	1	529.036	7.755	50	30		KKEAMN
CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1Cl	ZINC000097945651	553773669	/nfs/dbraw/zinc/77/36/69/553773669.db2.gz	PGQPWJLEXVHILY-WRGVRERRSA-N	0	1	533.499	8.211	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@H]3c2cccs2)cc1	ZINC000097946026	553776144	/nfs/dbraw/zinc/77/61/44/553776144.db2.gz	FAKLVZSYEGABCR-DFXYEROKSA-N	0	1	541.072	7.625	50	30		KKEAMN
CCCCCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S	ZINC000097946305	553778215	/nfs/dbraw/zinc/77/82/15/553778215.db2.gz	OUVHVQXKMKBSMB-ROMGYVFFSA-N	0	1	575.804	5.578	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000097948304	553792805	/nfs/dbraw/zinc/79/28/05/553792805.db2.gz	YUZJWIGLELZIED-LJAQVGFWSA-N	0	1	562.541	9.139	50	30		KKEAMN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc(Br)c2)cc1	ZINC000097948323	553793192	/nfs/dbraw/zinc/79/31/92/553793192.db2.gz	GFOTYEIGTPUQFY-UKJJDJLKSA-N	0	1	563.495	7.972	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2c2cccc(Br)c2)C1	ZINC000097948603	553795202	/nfs/dbraw/zinc/79/52/02/553795202.db2.gz	GHWFBNAQTOPXCN-SANMLTNESA-N	0	1	585.329	8.604	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Nc3ccc(Cl)c(Cl)c3)[C@@H]2c2cccc(Br)c2)C1	ZINC000097948604	553795210	/nfs/dbraw/zinc/79/52/10/553795210.db2.gz	GHWFBNAQTOPXCN-AREMUKBSSA-N	0	1	585.329	8.604	50	30		KKEAMN
COc1cccc([C@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)c1	ZINC000097948759	553796348	/nfs/dbraw/zinc/79/63/48/553796348.db2.gz	RHKMZFQMEZWVBQ-KTBRYMIGSA-N	0	1	602.493	8.747	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H]3c2cccc(F)c2)cc1	ZINC000097948763	553796537	/nfs/dbraw/zinc/79/65/37/553796537.db2.gz	ZOVDFKQUBIDLDH-KTBRYMIGSA-N	0	1	602.493	8.747	50	30		KKEAMN
COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000097948912	553797581	/nfs/dbraw/zinc/79/75/81/553797581.db2.gz	FWPWYRSXUVWAGO-MQFAKOPTSA-N	0	1	614.695	6.049	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000097949144	553799705	/nfs/dbraw/zinc/79/97/05/553799705.db2.gz	JLVNIBDQKBOMHV-NMRUTFGKSA-N	0	1	650.728	6.953	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1	ZINC000097949134	553799796	/nfs/dbraw/zinc/79/97/96/553799796.db2.gz	OOUURFFQUIEZGB-WZLIKJJVSA-N	0	1	649.231	9.573	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	ZINC000097949243	553800605	/nfs/dbraw/zinc/80/06/05/553800605.db2.gz	LOIMSBNQCOCWBD-OJVJLOJWSA-N	0	1	685.220	9.541	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1	ZINC000097951494	553809357	/nfs/dbraw/zinc/80/93/57/553809357.db2.gz	DOEPIZPLUQLUHU-YTTGMZPUSA-N	0	1	531.781	9.363	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC	ZINC000097951495	553809385	/nfs/dbraw/zinc/80/93/85/553809385.db2.gz	HDNDIWJYHUFFHP-JOCHJYFZSA-N	0	1	528.439	5.414	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC	ZINC000097951522	553809632	/nfs/dbraw/zinc/80/96/32/553809632.db2.gz	OAMAZEKPOQBYRK-MHZLTWQESA-N	0	1	546.620	5.229	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1	ZINC000097951533	553809678	/nfs/dbraw/zinc/80/96/78/553809678.db2.gz	FZOJHFQBOMZLOC-PMERELPUSA-N	0	1	538.172	9.400	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1	ZINC000097951543	553809683	/nfs/dbraw/zinc/80/96/83/553809683.db2.gz	JMUROROFMNTTMD-WJOKGBTCSA-N	0	1	517.754	9.055	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1	ZINC000097951662	553810525	/nfs/dbraw/zinc/81/05/25/553810525.db2.gz	YIPWDQUEDFNTAE-SSEXGKCCSA-N	0	1	538.172	9.400	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000097951666	553810591	/nfs/dbraw/zinc/81/05/91/553810591.db2.gz	QXNGXERAVHRNTD-NDEPHWFRSA-N	0	1	535.556	5.656	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)nc2c(C)c1	ZINC000097951779	553811526	/nfs/dbraw/zinc/81/15/26/553811526.db2.gz	FKBIRFWHBOCPGF-JOCHJYFZSA-N	0	1	537.410	6.598	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(C(C)C)cc3)cc2)c1	ZINC000097952288	553814780	/nfs/dbraw/zinc/81/47/80/553814780.db2.gz	QQVRYQNZQUJMQW-HKBQPEDESA-N	0	1	532.640	6.871	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000097952319	553815148	/nfs/dbraw/zinc/81/51/48/553815148.db2.gz	BKFBFXAYYYMHSR-MUUNZHRXSA-N	0	1	535.556	5.656	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1	ZINC000097952449	553816062	/nfs/dbraw/zinc/81/60/62/553816062.db2.gz	LVLSOAWKMCFLMV-DEOSSOPVSA-N	0	1	542.573	5.425	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000097952576	553816651	/nfs/dbraw/zinc/81/66/51/553816651.db2.gz	BLIWOHDKVXWZBL-AREMUKBSSA-N	0	1	540.443	6.496	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(OCc2ccccc2)c1	ZINC000097952947	553818091	/nfs/dbraw/zinc/81/80/91/553818091.db2.gz	OJHHGRDAFRJRAX-PMERELPUSA-N	0	1	533.580	5.815	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000097952981	553818414	/nfs/dbraw/zinc/81/84/14/553818414.db2.gz	LWUCLIHCDPXJLS-HSZRJFAPSA-N	0	1	529.530	5.067	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000097953033	553818815	/nfs/dbraw/zinc/81/88/15/553818815.db2.gz	PDARZBKLHHJIIH-NDEPHWFRSA-N	0	1	547.604	5.653	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000097953085	553819188	/nfs/dbraw/zinc/81/91/88/553819188.db2.gz	IWSQASPYXLLBFE-NDEPHWFRSA-N	0	1	537.572	5.115	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000097953145	553819690	/nfs/dbraw/zinc/81/96/90/553819690.db2.gz	QAXHNZOVZZIWSA-GDLZYMKVSA-N	0	1	543.616	5.466	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3F)sc2c1	ZINC000097954008	553820582	/nfs/dbraw/zinc/82/05/82/553820582.db2.gz	SFEXJRAVXNOJHU-DEOSSOPVSA-N	0	1	532.549	5.388	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000097954018	553820676	/nfs/dbraw/zinc/82/06/76/553820676.db2.gz	WMDAWCCLWSZCIF-OLILMLBXSA-N	0	1	542.632	5.761	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000097954413	553822932	/nfs/dbraw/zinc/82/29/32/553822932.db2.gz	RAPSEPAVQXGILY-JRPXNJEYSA-N	0	1	541.644	6.366	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000097954672	553824652	/nfs/dbraw/zinc/82/46/52/553824652.db2.gz	BNHCWUMBPCBROZ-OLILMLBXSA-N	0	1	545.632	6.205	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000097954670	553824672	/nfs/dbraw/zinc/82/46/72/553824672.db2.gz	BNHCWUMBPCBROZ-WRONEBCDSA-N	0	1	545.632	6.205	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1	ZINC000097954703	553825009	/nfs/dbraw/zinc/82/50/09/553825009.db2.gz	MJMOUHKXEOJDHQ-JGCGQSQUSA-N	0	1	546.796	8.812	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097954734	553825062	/nfs/dbraw/zinc/82/50/62/553825062.db2.gz	RFSYKWUMXWSXAX-SMSORMJASA-N	0	1	549.627	5.454	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C	ZINC000097955046	553828050	/nfs/dbraw/zinc/82/80/50/553828050.db2.gz	IEGORPQARUCHAZ-PMERELPUSA-N	0	1	668.724	6.326	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000097955143	553829098	/nfs/dbraw/zinc/82/90/98/553829098.db2.gz	QUUDKXHWTWMLFU-LRTDBIEQSA-N	0	1	539.009	5.388	50	30		KKEAMN
O=C(c1ccc(F)cc1)c1ccc(-c2nc(-c3ccc(C#Cc4ccccc4)cc3)[nH]c2-c2ccccc2)cc1	ZINC000027527818	553830962	/nfs/dbraw/zinc/83/09/62/553830962.db2.gz	RIMMQZSYCQATFZ-UHFFFAOYSA-N	0	1	518.591	8.181	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1	ZINC000097955639	553832588	/nfs/dbraw/zinc/83/25/88/553832588.db2.gz	MFISSRQSOXHHDR-ZLOXQWCVSA-N	0	1	520.969	6.195	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC	ZINC000097955684	553832842	/nfs/dbraw/zinc/83/28/42/553832842.db2.gz	YTJKMZDZFJTGFP-MHZLTWQESA-N	0	1	607.084	6.691	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000097955726	553833247	/nfs/dbraw/zinc/83/32/47/553833247.db2.gz	PNNHZIQHDRPYHG-NPMABZOXSA-N	0	1	520.969	6.195	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000097955826	553834232	/nfs/dbraw/zinc/83/42/32/553834232.db2.gz	SFJJEROOMFYCJG-NDEPHWFRSA-N	0	1	535.556	5.656	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000097956228	553836997	/nfs/dbraw/zinc/83/69/97/553836997.db2.gz	LQCARSUPQNCQIE-ZLOXQWCVSA-N	0	1	531.521	5.450	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000097956803	553841732	/nfs/dbraw/zinc/84/17/32/553841732.db2.gz	SVFFIBAJYFKRML-HXUWFJFHSA-N	0	1	526.998	5.382	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000097956854	553842584	/nfs/dbraw/zinc/84/25/84/553842584.db2.gz	JZRDQESCVFJUJN-HSZRJFAPSA-N	0	1	566.632	5.135	50	30		KKEAMN
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C2/NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)o1	ZINC000097959785	553866091	/nfs/dbraw/zinc/86/60/91/553866091.db2.gz	CDJLXHMGTRYBFE-OFGWUUMASA-N	0	1	537.617	5.920	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@@H]3c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	ZINC000097960022	553867632	/nfs/dbraw/zinc/86/76/32/553867632.db2.gz	PBWAOCFLQXGNPZ-KJICVINHSA-N	0	1	660.924	10.561	50	30		KKEAMN
C=CCc1cc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(OC)c1OCc1ccc(Br)cc1	ZINC000097960858	553873694	/nfs/dbraw/zinc/87/36/94/553873694.db2.gz	LPDAQCPJRFPCOC-YDZHTSKRSA-N	0	1	642.369	7.199	50	30		KKEAMN
CCOc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1ccccc1C#N	ZINC000097960896	553873988	/nfs/dbraw/zinc/87/39/88/553873988.db2.gz	CDWHFOZWRAGMQF-ZDLGFXPLSA-N	0	1	586.884	7.168	50	30		KKEAMN
F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(C=NNc2ncnc3nc[nH]c32)cc1OC(F)(F)[C@H](F)C(F)(F)F	ZINC000097965328	553904116	/nfs/dbraw/zinc/90/41/16/553904116.db2.gz	LZDKHMCNTBMNCF-BCGQVAGBSA-N	0	1	570.294	5.543	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000097966832	553910789	/nfs/dbraw/zinc/91/07/89/553910789.db2.gz	NLSQDGMVKGVXHY-WJOKGBTCSA-N	0	1	568.714	5.782	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)ccc1OCC(C)C	ZINC000097966926	553911917	/nfs/dbraw/zinc/91/19/17/553911917.db2.gz	VEOWAUVBMDIDNQ-AREMUKBSSA-N	0	1	571.512	5.093	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)ccc1OCC(C)C	ZINC000097966925	553911988	/nfs/dbraw/zinc/91/19/88/553911988.db2.gz	VEOWAUVBMDIDNQ-SANMLTNESA-N	0	1	571.512	5.093	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C	ZINC000097967014	553913027	/nfs/dbraw/zinc/91/30/27/553913027.db2.gz	PGTJNLXOATZFDX-IIMAJNMQSA-N	0	1	556.659	6.007	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Br)c1	ZINC000097967039	553913136	/nfs/dbraw/zinc/91/31/36/553913136.db2.gz	DNBRIAFRHJHESA-AREMUKBSSA-N	0	1	571.512	5.093	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(Cl)cc1	ZINC000097967110	553913798	/nfs/dbraw/zinc/91/37/98/553913798.db2.gz	UQIKYQZQQPMYTB-PMERELPUSA-N	0	1	617.068	10.162	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000097967175	553914732	/nfs/dbraw/zinc/91/47/32/553914732.db2.gz	MRGHJOHWWRPMKP-XIFFEERXSA-N	0	1	672.759	8.257	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000097967221	553915375	/nfs/dbraw/zinc/91/53/75/553915375.db2.gz	NULXDRBPBRHLMK-FLASPHMUSA-N	0	1	575.661	6.419	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000097967278	553916243	/nfs/dbraw/zinc/91/62/43/553916243.db2.gz	DZQMKVZQHDQYQY-CPJLOUKISA-N	0	1	589.670	6.084	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)s2)cc1	ZINC000097967309	553916715	/nfs/dbraw/zinc/91/67/15/553916715.db2.gz	DZENTNQWFCVRFB-JIYROHSKSA-N	0	1	661.805	7.824	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1	ZINC000097967338	553917170	/nfs/dbraw/zinc/91/71/70/553917170.db2.gz	QVKCLDMCJOJDRQ-NBLPZQPVSA-N	0	1	726.276	8.568	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097967374	553917778	/nfs/dbraw/zinc/91/77/78/553917778.db2.gz	GTHXRJOCSSNRFL-UKPGIYTDSA-N	0	1	665.768	7.655	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000097967423	553918051	/nfs/dbraw/zinc/91/80/51/553918051.db2.gz	GZHAIEBSDDTKGC-YTTGMZPUSA-N	0	1	577.633	6.214	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C	ZINC000097967523	553919849	/nfs/dbraw/zinc/91/98/49/553919849.db2.gz	UPIFVRZCAYIMPN-COOREUGTSA-N	0	1	721.901	8.914	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C	ZINC000097967573	553920216	/nfs/dbraw/zinc/92/02/16/553920216.db2.gz	KYMXAYAMQGUYGC-NDEPHWFRSA-N	0	1	648.734	6.172	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1	ZINC000097967734	553922205	/nfs/dbraw/zinc/92/22/05/553922205.db2.gz	DSYRIIJYHPDRLC-VTLMBFNKSA-N	0	1	760.721	9.221	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000097967784	553923026	/nfs/dbraw/zinc/92/30/26/553923026.db2.gz	JEASGVFSLTVXFZ-BSEYFRJRSA-N	0	1	577.456	6.174	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097967794	553923201	/nfs/dbraw/zinc/92/32/01/553923201.db2.gz	JVOMOFAFLLPYSH-UVDDSOTQSA-N	0	1	671.841	7.904	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000097967808	553923560	/nfs/dbraw/zinc/92/35/60/553923560.db2.gz	XMVWXBCFYBTIFF-PRAQEBQASA-N	0	1	675.804	7.653	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000097967879	553924426	/nfs/dbraw/zinc/92/44/26/553924426.db2.gz	HOFFWJVFEFIQKB-YTTGMZPUSA-N	0	1	695.819	7.725	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000097967886	553924648	/nfs/dbraw/zinc/92/46/48/553924648.db2.gz	BDZGZRFQZVAHME-OYLFLEFRSA-N	0	1	594.089	6.729	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC	ZINC000097967916	553924887	/nfs/dbraw/zinc/92/48/87/553924887.db2.gz	STXNBRHCVVNRGX-VWLOTQADSA-N	0	1	576.627	5.172	50	30		KKEAMN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000097967913	553924945	/nfs/dbraw/zinc/92/49/45/553924945.db2.gz	MJACMWCNKSALDP-AREMUKBSSA-N	0	1	654.597	7.815	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC	ZINC000097967915	553924976	/nfs/dbraw/zinc/92/49/76/553924976.db2.gz	STXNBRHCVVNRGX-RUZDIDTESA-N	0	1	576.627	5.172	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000097967936	553925305	/nfs/dbraw/zinc/92/53/05/553925305.db2.gz	AFOXEIVBKBJSFA-PUAOIOHZSA-N	0	1	589.670	6.084	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000097967934	553925373	/nfs/dbraw/zinc/92/53/73/553925373.db2.gz	AFOXEIVBKBJSFA-CPJLOUKISA-N	0	1	589.670	6.084	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000097967966	553925750	/nfs/dbraw/zinc/92/57/50/553925750.db2.gz	WODLKXMAWUSWBT-QHCPKHFHSA-N	0	1	596.061	6.177	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1	ZINC000097967991	553926250	/nfs/dbraw/zinc/92/62/50/553926250.db2.gz	YFIHGCMNHFEBSH-MHZLTWQESA-N	0	1	585.638	5.378	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097968033	553926561	/nfs/dbraw/zinc/92/65/61/553926561.db2.gz	UHPYSDSZCSBSAF-HHHXNRCGSA-N	0	1	666.177	6.835	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097968023	553926657	/nfs/dbraw/zinc/92/66/57/553926657.db2.gz	JZMCWDYZGCHOLG-MUUNZHRXSA-N	0	1	645.759	6.572	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000097968112	553927927	/nfs/dbraw/zinc/92/79/27/553927927.db2.gz	ZDDHKJGHTFTGIT-VWLOTQADSA-N	0	1	587.679	5.702	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097968106	553927988	/nfs/dbraw/zinc/92/79/88/553927988.db2.gz	AULUGEMZVSFNTB-OWJWWREXSA-N	0	1	594.089	6.729	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097968108	553928028	/nfs/dbraw/zinc/92/80/28/553928028.db2.gz	AULUGEMZVSFNTB-IZHWHUGBSA-N	0	1	594.089	6.729	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000097968173	553928619	/nfs/dbraw/zinc/92/86/19/553928619.db2.gz	ROFNPUQUWZLHPA-PMERELPUSA-N	0	1	684.195	7.617	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1	ZINC000097968191	553928746	/nfs/dbraw/zinc/92/87/46/553928746.db2.gz	GBXTXCSLZRAKCL-YTTGMZPUSA-N	0	1	711.793	7.501	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097968194	553929217	/nfs/dbraw/zinc/92/92/17/553929217.db2.gz	VRPMESVZMZDYCU-MUUNZHRXSA-N	0	1	698.650	8.116	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097968243	553929560	/nfs/dbraw/zinc/92/95/60/553929560.db2.gz	SMPVWOZICPOMDL-SANMLTNESA-N	0	1	617.680	6.088	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000097968323	553930327	/nfs/dbraw/zinc/93/03/27/553930327.db2.gz	STUACRWXCGLULW-WHLCRQNOSA-N	0	1	634.751	6.702	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@H]3c2ccc(F)cc2)cc1	ZINC000033354705	553930868	/nfs/dbraw/zinc/93/08/68/553930868.db2.gz	CJVQAHSAWKYOOD-UDNBHOFDSA-N	0	1	553.033	7.702	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)ccc1OCc1ccc(Cl)cc1	ZINC000033354662	553930891	/nfs/dbraw/zinc/93/08/91/553930891.db2.gz	GEGDYHYQKVHQKW-BYUPDSDESA-N	0	1	661.223	9.594	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1	ZINC000033354687	553930939	/nfs/dbraw/zinc/93/09/39/553930939.db2.gz	KTDIKEKGDOVVHM-CYFIQEHSSA-N	0	1	619.161	8.639	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097968360	553931384	/nfs/dbraw/zinc/93/13/84/553931384.db2.gz	ADZCMIUICHMHCQ-NDEPHWFRSA-N	0	1	629.760	6.872	50	30		KKEAMN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000097968356	553931437	/nfs/dbraw/zinc/93/14/37/553931437.db2.gz	CXBQUBBSCRVODO-SANMLTNESA-N	0	1	620.152	7.161	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000097968394	553931980	/nfs/dbraw/zinc/93/19/80/553931980.db2.gz	ZFDHVNXXVPOGMI-XDBZFTIUSA-N	0	1	609.704	7.229	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097968436	553932360	/nfs/dbraw/zinc/93/23/60/553932360.db2.gz	CHDCRFVMAUAFHG-MUUNZHRXSA-N	0	1	663.749	6.711	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000097969014	553935862	/nfs/dbraw/zinc/93/58/62/553935862.db2.gz	PIQGRIXFJUYODH-ZWVRTZEQSA-N	0	1	589.688	6.809	50	30		KKEAMN
O=C(c1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1	ZINC000033355658	553936092	/nfs/dbraw/zinc/93/60/92/553936092.db2.gz	XFRSXAFAHXIXAV-ACSYHNTCSA-N	0	1	529.036	7.755	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1	ZINC000097969066	553936215	/nfs/dbraw/zinc/93/62/15/553936215.db2.gz	MTDTZERRYKIWAN-PMERELPUSA-N	0	1	600.613	9.648	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)c(C)c1	ZINC000097969104	553936666	/nfs/dbraw/zinc/93/66/66/553936666.db2.gz	NKGJHXOTQOSOLL-AREMUKBSSA-N	0	1	571.512	5.237	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1	ZINC000097969174	553937527	/nfs/dbraw/zinc/93/75/27/553937527.db2.gz	SKRMMPJOKWQXRQ-JCQPUDPBSA-N	0	1	581.875	6.819	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097969272	553938694	/nfs/dbraw/zinc/93/86/94/553938694.db2.gz	QWXFTZGHMPHVBT-AFJIDDCJSA-N	0	1	662.233	8.159	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000097969269	553938852	/nfs/dbraw/zinc/93/88/52/553938852.db2.gz	DHZHZEHZXHOIBO-MHZLTWQESA-N	0	1	598.652	6.604	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000097969340	553939765	/nfs/dbraw/zinc/93/97/65/553939765.db2.gz	RVFBZUUSSBOFIF-ODCWNRFASA-N	0	1	591.483	6.564	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000097969402	553940356	/nfs/dbraw/zinc/94/03/56/553940356.db2.gz	MEHLUCKNHPBSLM-UGDMGKLASA-N	0	1	555.671	6.409	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000097969454	553941073	/nfs/dbraw/zinc/94/10/73/553941073.db2.gz	LCAIELLCNRGPCV-JGCGQSQUSA-N	0	1	600.712	5.282	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000097969553	553942176	/nfs/dbraw/zinc/94/21/76/553942176.db2.gz	WKSKMCOHIDHKRF-QHCPKHFHSA-N	0	1	566.632	5.135	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)ccc1OCc1ccccc1	ZINC000097969538	553942231	/nfs/dbraw/zinc/94/22/31/553942231.db2.gz	QXGMBVKEQSYXEV-LJAQVGFWSA-N	0	1	605.529	5.637	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000097969577	553942507	/nfs/dbraw/zinc/94/25/07/553942507.db2.gz	VSJXUWWXBUDXBC-VOIUYBSRSA-N	0	1	559.644	6.076	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097969571	553942538	/nfs/dbraw/zinc/94/25/38/553942538.db2.gz	IBAIQAWMZWEAJZ-CGDLVVIGSA-N	0	1	697.838	8.669	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000097969641	553943418	/nfs/dbraw/zinc/94/34/18/553943418.db2.gz	CRORFPPRSJEMGY-KCWXNJEJSA-N	0	1	559.663	5.453	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000097969642	553943487	/nfs/dbraw/zinc/94/34/87/553943487.db2.gz	CRORFPPRSJEMGY-LGGPFLRQSA-N	0	1	559.663	5.453	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCCC)c2)nc1C	ZINC000097969718	553944195	/nfs/dbraw/zinc/94/41/95/553944195.db2.gz	NHBWAXIXIVDWAL-RUZDIDTESA-N	0	1	590.654	5.527	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097969777	553944736	/nfs/dbraw/zinc/94/47/36/553944736.db2.gz	DTZRQOHKMWMERM-QLXKLKPCSA-N	0	1	603.697	6.475	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097969779	553944889	/nfs/dbraw/zinc/94/48/89/553944889.db2.gz	DTZRQOHKMWMERM-QUGAMOGWSA-N	0	1	603.697	6.475	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(F)cc2)nc1C	ZINC000097969804	553944986	/nfs/dbraw/zinc/94/49/86/553944986.db2.gz	UCCKLFPPYMMVCR-RUZDIDTESA-N	0	1	572.614	6.048	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097969823	553945488	/nfs/dbraw/zinc/94/54/88/553945488.db2.gz	OWHLHBIBEKTIQW-MRDQGFSESA-N	0	1	620.152	6.989	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000097969867	553945816	/nfs/dbraw/zinc/94/58/16/553945816.db2.gz	AAQJLPQMKWAFSB-QHCPKHFHSA-N	0	1	565.445	6.167	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000097969875	553946315	/nfs/dbraw/zinc/94/63/15/553946315.db2.gz	KXDXKEJYRGLENW-QLXKLKPCSA-N	0	1	606.697	5.922	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000097969876	553946478	/nfs/dbraw/zinc/94/64/78/553946478.db2.gz	KXDXKEJYRGLENW-WGDIFIGCSA-N	0	1	606.697	5.922	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097969957	553947356	/nfs/dbraw/zinc/94/73/56/553947356.db2.gz	MVASUSTXHAGVKS-AFJIDDCJSA-N	0	1	643.787	7.124	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097969967	553947772	/nfs/dbraw/zinc/94/77/72/553947772.db2.gz	BOWCSTDDFGOAHZ-PMERELPUSA-N	0	1	557.643	5.856	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000097970058	553949054	/nfs/dbraw/zinc/94/90/54/553949054.db2.gz	NNCXIDOEKGINQL-HFJWLAOPSA-N	0	1	613.717	6.032	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1	ZINC000097970097	553949661	/nfs/dbraw/zinc/94/96/61/553949661.db2.gz	RHAHLGYFQJIMPY-PBUKZNKTSA-N	0	1	705.858	8.223	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C	ZINC000097970147	553949885	/nfs/dbraw/zinc/94/98/85/553949885.db2.gz	HAFMANOOEOBYDS-CPJLOUKISA-N	0	1	592.670	5.532	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C	ZINC000097970145	553950146	/nfs/dbraw/zinc/95/01/46/553950146.db2.gz	HAFMANOOEOBYDS-LMKMVOKYSA-N	0	1	592.670	5.532	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097970167	553950491	/nfs/dbraw/zinc/95/04/91/553950491.db2.gz	YISZKSHSNAKION-XBBWARJSSA-N	0	1	661.777	7.263	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1	ZINC000097970203	553950891	/nfs/dbraw/zinc/95/08/91/553950891.db2.gz	BEQZGUPZGZIKEH-NBLPZQPVSA-N	0	1	709.821	8.054	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097970227	553951261	/nfs/dbraw/zinc/95/12/61/553951261.db2.gz	KUJPFCDOETZZLO-LGGPFLRQSA-N	0	1	627.788	7.362	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097970244	553951677	/nfs/dbraw/zinc/95/16/77/553951677.db2.gz	QJODPTZUVUUFST-JCOAXYOVSA-N	0	1	649.794	7.879	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000097970243	553951737	/nfs/dbraw/zinc/95/17/37/553951737.db2.gz	SRSOCJZMIDHXPZ-DEOSSOPVSA-N	0	1	593.455	6.012	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000097970242	553951759	/nfs/dbraw/zinc/95/17/59/553951759.db2.gz	SRSOCJZMIDHXPZ-XMMPIXPASA-N	0	1	593.455	6.012	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1	ZINC000097970297	553952029	/nfs/dbraw/zinc/95/20/29/553952029.db2.gz	CYHPWIIOKUJGLE-PVAZPRTOSA-N	0	1	691.831	7.914	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1	ZINC000097970295	553952055	/nfs/dbraw/zinc/95/20/55/553952055.db2.gz	CYHPWIIOKUJGLE-FLASPHMUSA-N	0	1	691.831	7.914	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C	ZINC000097970293	553952117	/nfs/dbraw/zinc/95/21/17/553952117.db2.gz	CBWHGNCIVAOMEX-PRAQEBQASA-N	0	1	654.741	6.712	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097970345	553952826	/nfs/dbraw/zinc/95/28/26/553952826.db2.gz	OSIXMIRGXPJXFD-XRHLQHRESA-N	0	1	634.179	7.379	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097970364	553952977	/nfs/dbraw/zinc/95/29/77/553952977.db2.gz	YBMLNDVEDOUVEM-DNOBIOAJSA-N	0	1	615.708	6.641	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097970408	553953696	/nfs/dbraw/zinc/95/36/96/553953696.db2.gz	KZIHFEIHDFKNLJ-IIMAJNMQSA-N	0	1	657.814	7.514	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097970455	553954141	/nfs/dbraw/zinc/95/41/41/553954141.db2.gz	ZBRAWKBUSFEZJG-KCEHZKJRSA-N	0	1	663.821	8.269	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000097970463	553954662	/nfs/dbraw/zinc/95/46/62/553954662.db2.gz	BRPKTQXYDFBSKG-CHJDUVSTSA-N	0	1	573.690	5.843	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000097970503	553954994	/nfs/dbraw/zinc/95/49/94/553954994.db2.gz	WICDEVOXFPZIPD-LMKMVOKYSA-N	0	1	634.135	6.377	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1	ZINC000097970497	553955143	/nfs/dbraw/zinc/95/51/43/553955143.db2.gz	RBUBOAWEJXBRFC-WJOKGBTCSA-N	0	1	551.743	8.894	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097970542	553955564	/nfs/dbraw/zinc/95/55/64/553955564.db2.gz	NEXGSQATWVFRKW-OLILMLBXSA-N	0	1	643.787	7.043	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000033358446	553955843	/nfs/dbraw/zinc/95/58/43/553955843.db2.gz	KHTSBBCEXSDIDZ-PBUKZNKTSA-N	0	1	554.687	7.193	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1	ZINC000097999653	554044853	/nfs/dbraw/zinc/04/48/53/554044853.db2.gz	WOGUDUCWUZWKQH-CAQRMWTPSA-N	0	1	593.079	7.350	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000097999963	554047490	/nfs/dbraw/zinc/04/74/90/554047490.db2.gz	CXRGNZRJGVFBFL-OHWKKVTOSA-N	0	1	625.121	7.589	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cc(OC)c(OC)c(OC)c4)[C@@H]3c3ccccc3Cl)C2)cc1	ZINC000098003645	554055694	/nfs/dbraw/zinc/05/56/94/554055694.db2.gz	XAVGEGVDXFOCSG-XSJBNIOMSA-N	0	1	625.121	7.589	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]3c2cccs2)cc1	ZINC000098042805	554122416	/nfs/dbraw/zinc/12/24/16/554122416.db2.gz	XOIXFHGRDIXCQX-WENCNXQZSA-N	0	1	575.517	8.278	50	30		KKEAMN
O=C(c1ccc(Cl)cc1)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000098045526	554132241	/nfs/dbraw/zinc/13/22/41/554132241.db2.gz	YBNBMNSKFYNOGI-UVDDSOTQSA-N	0	1	568.004	7.602	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000098045754	554133486	/nfs/dbraw/zinc/13/34/86/554133486.db2.gz	PYHXBXJDNGJBOX-PEBXRYMYSA-N	0	1	534.565	5.040	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000098046330	554137910	/nfs/dbraw/zinc/13/79/10/554137910.db2.gz	CMVJBPCETGTBFN-OAQYLSRUSA-N	0	1	541.025	5.772	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000098046329	554138023	/nfs/dbraw/zinc/13/80/23/554138023.db2.gz	SUZQTMMMZVIVMU-QFIPXVFZSA-N	0	1	536.581	5.423	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000098046450	554138919	/nfs/dbraw/zinc/13/89/19/554138919.db2.gz	YPGXVEDZKGBQSS-HHHXNRCGSA-N	0	1	652.194	7.463	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(Br)c2)cc1	ZINC000098046427	554138935	/nfs/dbraw/zinc/13/89/35/554138935.db2.gz	VQZFPVPHVPKXRV-VWLOTQADSA-N	0	1	654.583	7.694	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccccc2F)cc1	ZINC000098046471	554139298	/nfs/dbraw/zinc/13/92/98/554139298.db2.gz	MILBGRCOJNHZMF-VWLOTQADSA-N	0	1	593.677	7.070	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000098046473	554139341	/nfs/dbraw/zinc/13/93/41/554139341.db2.gz	DGSGJVJWOITAGE-VWLOTQADSA-N	0	1	593.677	7.070	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000098046479	554139489	/nfs/dbraw/zinc/13/94/89/554139489.db2.gz	LETZFHMPSWVESY-VWLOTQADSA-N	0	1	671.038	8.208	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F	ZINC000098046497	554139754	/nfs/dbraw/zinc/13/97/54/554139754.db2.gz	LGRCGNCESCMUBJ-PMERELPUSA-N	0	1	687.746	7.488	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F	ZINC000098046513	554139913	/nfs/dbraw/zinc/13/99/13/554139913.db2.gz	UBERUCBECIRDFP-UMSFTDKQSA-N	0	1	719.816	8.502	50	30		KKEAMN
CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000098046531	554140233	/nfs/dbraw/zinc/14/02/33/554140233.db2.gz	MZXSUSFPRGBNBG-AREMUKBSSA-N	0	1	602.137	8.136	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000098046530	554140392	/nfs/dbraw/zinc/14/03/92/554140392.db2.gz	CAYMKLVWFMEVCS-SANMLTNESA-N	0	1	616.120	7.578	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC	ZINC000098046544	554140703	/nfs/dbraw/zinc/14/07/03/554140703.db2.gz	YQSWMJVEXHMOSJ-LJAQVGFWSA-N	0	1	659.761	8.076	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000098046607	554141624	/nfs/dbraw/zinc/14/16/24/554141624.db2.gz	LDIRBSHYRDEFTB-HKBQPEDESA-N	0	1	665.793	7.717	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000098046659	554141979	/nfs/dbraw/zinc/14/19/79/554141979.db2.gz	BKZJNMFXCPNIIW-OAQYLSRUSA-N	0	1	551.577	5.108	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(Br)cc3)cc2)c1	ZINC000098046683	554142291	/nfs/dbraw/zinc/14/22/91/554142291.db2.gz	KQUFFLOGBYZGIO-MUUNZHRXSA-N	0	1	586.486	6.202	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccs2)nc1C	ZINC000098046689	554142341	/nfs/dbraw/zinc/14/23/41/554142341.db2.gz	RCOGPTVTOVZDRR-HSZRJFAPSA-N	0	1	560.653	5.970	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(Br)cc3)cc2)c1	ZINC000098046685	554142482	/nfs/dbraw/zinc/14/24/82/554142482.db2.gz	WWNGGSCPPQLHRM-XMMPIXPASA-N	0	1	561.457	6.576	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(Oc4ccccc4)c3)cc2)c1	ZINC000098046698	554142808	/nfs/dbraw/zinc/14/28/08/554142808.db2.gz	VCXIRUJWCCMRGY-UMSFTDKQSA-N	0	1	582.656	7.540	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000098046851	554144477	/nfs/dbraw/zinc/14/44/77/554144477.db2.gz	OLPWMGBUFYDSNA-QFIPXVFZSA-N	0	1	568.051	6.414	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O	ZINC000098047265	554148406	/nfs/dbraw/zinc/14/84/06/554148406.db2.gz	XMFGJGIGZDTHCX-MUUNZHRXSA-N	0	1	643.718	7.019	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC	ZINC000098047258	554148511	/nfs/dbraw/zinc/14/85/11/554148511.db2.gz	GJEWFBCFACPSOQ-LJAQVGFWSA-N	0	1	657.745	7.322	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O	ZINC000098047304	554149169	/nfs/dbraw/zinc/14/91/69/554149169.db2.gz	XAUWZAGFBMSTPL-NDEPHWFRSA-N	0	1	641.727	6.498	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000098047351	554149528	/nfs/dbraw/zinc/14/95/28/554149528.db2.gz	UDQJCYCNAVAISA-MHZLTWQESA-N	0	1	636.195	7.844	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C(C)C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000098047385	554150040	/nfs/dbraw/zinc/15/00/40/554150040.db2.gz	XNGYQYNJDFGEEB-QHCPKHFHSA-N	0	1	537.638	5.641	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(OC)c2)cc1	ZINC000098047383	554150162	/nfs/dbraw/zinc/15/01/62/554150162.db2.gz	JUYURUQXLLORPE-SANMLTNESA-N	0	1	587.723	6.801	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000098047399	554150342	/nfs/dbraw/zinc/15/03/42/554150342.db2.gz	HMQYIVFYDHCTCZ-QHCPKHFHSA-N	0	1	644.533	7.154	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc(C)c(F)c4)[C@H]3c3cccc(Oc4ccccc4)c3)s2)cc1	ZINC000098047396	554150355	/nfs/dbraw/zinc/15/03/55/554150355.db2.gz	SYMIRQCZWJODRL-GDLZYMKVSA-N	0	1	623.731	8.162	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1	ZINC000098047408	554150520	/nfs/dbraw/zinc/15/05/20/554150520.db2.gz	HAWOPXIWATYVCJ-GDLZYMKVSA-N	0	1	634.795	7.795	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C	ZINC000098047440	554150958	/nfs/dbraw/zinc/15/09/58/554150958.db2.gz	OBTMVPDFRIXTLA-JOCHJYFZSA-N	0	1	555.052	6.162	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCCC)cc2)cc1	ZINC000098047434	554150990	/nfs/dbraw/zinc/15/09/90/554150990.db2.gz	HSEDCKQSNYZDQV-HHHXNRCGSA-N	0	1	606.741	7.015	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C	ZINC000098047479	554151487	/nfs/dbraw/zinc/15/14/87/554151487.db2.gz	MNRSOSLQGVAGQK-DEOSSOPVSA-N	0	1	590.654	5.543	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000098047531	554152303	/nfs/dbraw/zinc/15/23/03/554152303.db2.gz	OJPYWIPEXOFVHF-PMERELPUSA-N	0	1	664.821	7.660	50	30		KKEAMN
CCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OC	ZINC000098047512	554152340	/nfs/dbraw/zinc/15/23/40/554152340.db2.gz	ZPNFMSSIUYOSHU-YTTGMZPUSA-N	0	1	722.329	9.413	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCCCC)c(OCC)c2)nc1C	ZINC000098047543	554152684	/nfs/dbraw/zinc/15/26/84/554152684.db2.gz	AQLDCGUHBRATAE-SSEXGKCCSA-N	0	1	662.805	7.724	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000098047599	554153029	/nfs/dbraw/zinc/15/30/29/554153029.db2.gz	VXAZJMSZEPHZIU-AREMUKBSSA-N	0	1	589.714	7.240	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000098047573	554153053	/nfs/dbraw/zinc/15/30/53/554153053.db2.gz	SCKZASBDWDHFBZ-JGCGQSQUSA-N	0	1	705.874	8.899	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000098047586	554153099	/nfs/dbraw/zinc/15/30/99/554153099.db2.gz	ZHGHUAJGSKIUHN-HKBQPEDESA-N	0	1	708.302	8.879	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000098047600	554153381	/nfs/dbraw/zinc/15/33/81/554153381.db2.gz	VXAZJMSZEPHZIU-SANMLTNESA-N	0	1	589.714	7.240	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cccc(F)c2)cc1	ZINC000098047629	554153547	/nfs/dbraw/zinc/15/35/47/554153547.db2.gz	DREFRSCOSXTRFW-RUZDIDTESA-N	0	1	593.677	7.070	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC	ZINC000098047607	554153656	/nfs/dbraw/zinc/15/36/56/554153656.db2.gz	VHLMYHHSQSQALX-SSEXGKCCSA-N	0	1	657.814	7.674	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000098047615	554153687	/nfs/dbraw/zinc/15/36/87/554153687.db2.gz	YVIVCGZVCFXDEV-RUZDIDTESA-N	0	1	593.677	7.070	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1F	ZINC000098047705	554154999	/nfs/dbraw/zinc/15/49/99/554154999.db2.gz	JQHJBZHTIVELQH-GDLZYMKVSA-N	0	1	625.747	8.038	50	30		KKEAMN
Cc1ccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccc(Oc4ccccc4)c3)cc2)cc1	ZINC000098047755	554155310	/nfs/dbraw/zinc/15/53/10/554155310.db2.gz	MVDILWIHXYDEBW-UUWRZZSWSA-N	0	1	604.703	6.277	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC	ZINC000098047739	554155370	/nfs/dbraw/zinc/15/53/70/554155370.db2.gz	KSNLTBZYVNLWNU-GDLZYMKVSA-N	0	1	641.746	7.621	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047750	554155470	/nfs/dbraw/zinc/15/54/70/554155470.db2.gz	GSPSTEKGDGUNIO-MHZLTWQESA-N	0	1	597.693	7.223	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047785	554155729	/nfs/dbraw/zinc/15/57/29/554155729.db2.gz	BAULOLQFZLULCL-GDLZYMKVSA-N	0	1	639.755	7.182	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047775	554155742	/nfs/dbraw/zinc/15/57/42/554155742.db2.gz	QKAVHUGJQHPMSD-GDLZYMKVSA-N	0	1	623.731	7.779	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000098047814	554156431	/nfs/dbraw/zinc/15/64/31/554156431.db2.gz	ZVHASPGPYQWUHF-NDEPHWFRSA-N	0	1	625.728	6.792	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4Cl)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000098047834	554156752	/nfs/dbraw/zinc/15/67/52/554156752.db2.gz	BGWSNXTXSKBUSJ-NDEPHWFRSA-N	0	1	678.594	9.160	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(Cl)cc2)cc1F	ZINC000098047904	554157378	/nfs/dbraw/zinc/15/73/78/554157378.db2.gz	XJQSANLZXQUXJS-SANMLTNESA-N	0	1	602.112	7.867	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC	ZINC000098047916	554157604	/nfs/dbraw/zinc/15/76/04/554157604.db2.gz	FJPYVJJYGLDPQW-NDEPHWFRSA-N	0	1	627.719	7.231	50	30		KKEAMN
CO[C@@H]1CC([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)=CCC1=O	ZINC000098047979	554158026	/nfs/dbraw/zinc/15/80/26/554158026.db2.gz	SNHNMELEUNXBRP-YLJYHZDGSA-N	0	1	539.660	5.089	50	30		KKEAMN
COc1ccc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(OCCC(C)C)c3)nc2c1	ZINC000098047996	554158384	/nfs/dbraw/zinc/15/83/84/554158384.db2.gz	GKEGCXVKOPRTQW-DEOSSOPVSA-N	0	1	534.659	6.574	50	30		KKEAMN
COc1ccccc1[C@@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)Nc1ccc(Cl)cc1	ZINC000100052791	554195200	/nfs/dbraw/zinc/19/52/00/554195200.db2.gz	PGPUJUYHRXGRHJ-WWOZWPLTSA-N	0	1	540.019	7.548	50	30		KKEAMN
CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccc(OC)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000036180234	554200395	/nfs/dbraw/zinc/20/03/95/554200395.db2.gz	CLNQPWHYWNUSIN-GZFRWTSMSA-N	0	1	505.552	5.512	50	30		KKEAMN
CCN1C(=O)/C(=C\c2cc(Br)cc(Br)c2O)S/C1=N/c1ccc(C(=O)OC)cc1	ZINC000100233493	554257848	/nfs/dbraw/zinc/25/78/48/554257848.db2.gz	WQLRKOBPAFFREH-QLFQYMLZSA-N	0	1	540.233	5.328	50	30		KKEAMN
N#Cc1c(=O)[nH]c(-c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc43)cc2)cc1-c1cccc(C(F)(F)F)c1	ZINC000100249579	554262019	/nfs/dbraw/zinc/26/20/19/554262019.db2.gz	HXBGROAHTBANCR-UHFFFAOYSA-N	0	1	550.462	7.910	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000053290478	554331146	/nfs/dbraw/zinc/33/11/46/554331146.db2.gz	FDVZPINBCPTXSE-NRFANRHFSA-N	0	1	521.392	5.850	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Br)cc2)cc1Cl	ZINC000053291397	554331514	/nfs/dbraw/zinc/33/15/14/554331514.db2.gz	AIPXUBAULLWUKN-JOCHJYFZSA-N	0	1	544.833	5.366	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1	ZINC000053292288	554332231	/nfs/dbraw/zinc/33/22/31/554332231.db2.gz	JOFGGFIZXJNGRG-DEOSSOPVSA-N	0	1	535.021	6.530	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000053306461	554333966	/nfs/dbraw/zinc/33/39/66/554333966.db2.gz	YUZJWIGLELZIED-GDLZYMKVSA-N	0	1	562.541	9.139	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Br)c2)nc1C	ZINC000053307275	554335125	/nfs/dbraw/zinc/33/51/25/554335125.db2.gz	QOGBBBLDPOVOHI-FQEVSTJZSA-N	0	1	571.449	5.491	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000053307655	554335151	/nfs/dbraw/zinc/33/51/51/554335151.db2.gz	GLAKJDHFEJCFEJ-QFIPXVFZSA-N	0	1	525.413	6.785	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000053307350	554335182	/nfs/dbraw/zinc/33/51/82/554335182.db2.gz	MUYPMJYNIYKQHK-JOCHJYFZSA-N	0	1	569.864	6.894	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000053307435	554335201	/nfs/dbraw/zinc/33/52/01/554335201.db2.gz	GSSSLPAJOUZHEC-XMMPIXPASA-N	0	1	551.020	6.149	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000053307222	554335224	/nfs/dbraw/zinc/33/52/24/554335224.db2.gz	UTRQWVNLSCHDMU-FQEVSTJZSA-N	0	1	561.443	6.035	50	30		KKEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)c1	ZINC000053307668	554335401	/nfs/dbraw/zinc/33/54/01/554335401.db2.gz	YYSYCORRHYWJPR-JOCHJYFZSA-N	0	1	541.398	5.535	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Br)cc1	ZINC000053319222	554336632	/nfs/dbraw/zinc/33/66/32/554336632.db2.gz	INGBGSOGFVBBQV-MUUNZHRXSA-N	0	1	569.455	6.510	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000053319190	554336694	/nfs/dbraw/zinc/33/66/94/554336694.db2.gz	ORZVNHLWWSGQBV-QHCPKHFHSA-N	0	1	567.019	5.767	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000053319224	554336980	/nfs/dbraw/zinc/33/69/80/554336980.db2.gz	QVQNVIBWAAIUFD-NRFANRHFSA-N	0	1	523.383	6.289	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000053319279	554337177	/nfs/dbraw/zinc/33/71/77/554337177.db2.gz	ZHJBYYWQNTUAPA-LJQANCHMSA-N	0	1	527.421	5.912	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Br)cc3s2)[C@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000053319511	554338696	/nfs/dbraw/zinc/33/86/96/554338696.db2.gz	RXNVSTXCMGPQIQ-FQEVSTJZSA-N	0	1	525.811	6.495	50	30		KKEAMN
O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1F	ZINC000053332544	554339035	/nfs/dbraw/zinc/33/90/35/554339035.db2.gz	RNJCMLBCIKPKEI-GEFUHLBYSA-N	0	1	572.467	8.739	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1	ZINC000053333055	554339473	/nfs/dbraw/zinc/33/94/73/554339473.db2.gz	CQVJWPJZRJXPRD-JCQPUDPBSA-N	0	1	531.521	5.450	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1	ZINC000053333125	554339515	/nfs/dbraw/zinc/33/95/15/554339515.db2.gz	SKRMMPJOKWQXRQ-ZLOXQWCVSA-N	0	1	581.875	6.819	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000053333519	554339534	/nfs/dbraw/zinc/33/95/34/554339534.db2.gz	DJXHQYVHANNUIN-OWJWWREXSA-N	0	1	594.089	6.729	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000053335294	554340730	/nfs/dbraw/zinc/34/07/30/554340730.db2.gz	LZQZQHHAMVRXQN-HSZRJFAPSA-N	0	1	529.530	5.067	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2	ZINC000053335462	554341091	/nfs/dbraw/zinc/34/10/91/554341091.db2.gz	OKVZXFYPVNGTDX-QFIPXVFZSA-N	0	1	549.948	5.412	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1	ZINC000053336176	554341414	/nfs/dbraw/zinc/34/14/14/554341414.db2.gz	LNQZNUDMBPKCKD-XMMPIXPASA-N	0	1	567.450	6.774	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	ZINC000053336187	554341481	/nfs/dbraw/zinc/34/14/81/554341481.db2.gz	OIJIMBBIMRPKMP-NDEPHWFRSA-N	0	1	559.449	7.054	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000053339250	554343206	/nfs/dbraw/zinc/34/32/06/554343206.db2.gz	GIKRHMXIUYKMKJ-MHZLTWQESA-N	0	1	591.085	7.073	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000053340276	554344206	/nfs/dbraw/zinc/34/42/06/554344206.db2.gz	MIDOXYGFHLEFGM-QFIPXVFZSA-N	0	1	539.396	6.157	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000053340586	554344339	/nfs/dbraw/zinc/34/43/39/554344339.db2.gz	KUFJBIDMYSJUHU-HSZRJFAPSA-N	0	1	531.546	5.395	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000053359594	554344905	/nfs/dbraw/zinc/34/49/05/554344905.db2.gz	KVLDDYINIVMPGU-ZOYWYXQUSA-N	0	1	548.683	7.081	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000053359600	554344927	/nfs/dbraw/zinc/34/49/27/554344927.db2.gz	KVLDDYINIVMPGU-GOXGLGGOSA-N	0	1	548.683	7.081	50	30		KKEAMN
O=C(Oc1cccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)c1)c1ccccc1	ZINC000053359668	554345341	/nfs/dbraw/zinc/34/53/41/554345341.db2.gz	ZTNFRNGDLBOXOS-RZFQCGOMSA-N	0	1	590.679	8.120	50	30		KKEAMN
Cc1cc(N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)n2c3ccccc3nc2c1C#N	ZINC000054290385	554349477	/nfs/dbraw/zinc/34/94/77/554349477.db2.gz	XHQYUSKIEMEAJC-UHFFFAOYSA-N	0	1	501.634	5.596	50	30		KKEAMN
O=C1C(=Nc2ccc(OC(F)(F)F)cc2)C[C@H](c2ccc(C(F)(F)F)cc2)N1c1ccc(OC(F)(F)F)cc1	ZINC000100384699	554364596	/nfs/dbraw/zinc/36/45/96/554364596.db2.gz	BNPBBOCVWNKRSR-OAQYLSRUSA-N	0	1	562.388	7.587	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1F)c1ccc(Br)cc1	ZINC000100439716	554393410	/nfs/dbraw/zinc/39/34/10/554393410.db2.gz	KRLFDPVMZRCLBS-YDJIHCHBSA-N	0	1	531.175	5.977	50	30		KKEAMN
COc1ccc(Nc2nc(N=NCc3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)nc(NCc3ccco3)n2)cc1	ZINC000100547826	554414358	/nfs/dbraw/zinc/41/43/58/554414358.db2.gz	FXUFYEAMJLOBMC-MUFRIFMGSA-N	0	1	556.539	5.452	50	30		KKEAMN
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1O	ZINC000059835550	554437272	/nfs/dbraw/zinc/43/72/72/554437272.db2.gz	WDINUCGUCYAZPN-UULLZXFKSA-N	0	1	531.565	5.696	50	30		KKEAMN
O=C(C(O)=C(c1ccccc1)[C@@H]1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@@H]1c1ccccc1)c1ccccc1	ZINC000100660301	554438497	/nfs/dbraw/zinc/43/84/97/554438497.db2.gz	GJTHMHRZFIJUGA-RRKBCBNCSA-N	0	1	532.639	7.816	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000100672274	554441878	/nfs/dbraw/zinc/44/18/78/554441878.db2.gz	BKQUJOIEEBCSNT-PMERELPUSA-N	0	1	554.643	5.263	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000100672412	554441898	/nfs/dbraw/zinc/44/18/98/554441898.db2.gz	SBIRVLAWUDOJPJ-HKBQPEDESA-N	0	1	568.670	5.653	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccc(C)cc3)cc2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	ZINC000100674626	554442858	/nfs/dbraw/zinc/44/28/58/554442858.db2.gz	PLSCTKJFHNSZEB-UUWRZZSWSA-N	0	1	607.703	6.776	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccccc2F)cc1	ZINC000100674865	554443257	/nfs/dbraw/zinc/44/32/57/554443257.db2.gz	MOIUDXVUGIWLIV-DEOSSOPVSA-N	0	1	566.651	6.365	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000100675306	554443657	/nfs/dbraw/zinc/44/36/57/554443657.db2.gz	FKESLAUHPHKFAJ-VWLOTQADSA-N	0	1	578.687	6.235	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cccc(Br)c2)nc1C	ZINC000100677206	554444261	/nfs/dbraw/zinc/44/42/61/554444261.db2.gz	MMHQBFWGURWTBX-LJQANCHMSA-N	0	1	559.413	5.621	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000100677685	554444713	/nfs/dbraw/zinc/44/47/13/554444713.db2.gz	UAFZEYCMIXSGRI-HSZRJFAPSA-N	0	1	552.624	6.038	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000100679709	554445673	/nfs/dbraw/zinc/44/56/73/554445673.db2.gz	NGELUPZQTKTZKM-JOCHJYFZSA-N	0	1	555.052	6.243	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000100679912	554445690	/nfs/dbraw/zinc/44/56/90/554445690.db2.gz	XBGZXHBSSUTPJL-RUZDIDTESA-N	0	1	594.686	5.997	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(O)cc2)nc1C	ZINC000100679953	554446021	/nfs/dbraw/zinc/44/60/21/554446021.db2.gz	BRUPHSIGBGSIMR-HSZRJFAPSA-N	0	1	548.617	5.462	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000100680341	554446289	/nfs/dbraw/zinc/44/62/89/554446289.db2.gz	LINODXZUMKVKKP-HSZRJFAPSA-N	0	1	601.508	7.063	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCC)cc2)nc1C	ZINC000100680328	554446389	/nfs/dbraw/zinc/44/63/89/554446389.db2.gz	TZECJJGUMJKJPK-VWLOTQADSA-N	0	1	576.671	6.155	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCCC)c(OC)c2)nc1C	ZINC000100680272	554446410	/nfs/dbraw/zinc/44/64/10/554446410.db2.gz	HPHDYTUGASZSDQ-NDEPHWFRSA-N	0	1	634.751	6.944	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000100680334	554446509	/nfs/dbraw/zinc/44/65/09/554446509.db2.gz	YVHQXGPNUXSLDG-AREMUKBSSA-N	0	1	606.697	6.163	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000100680702	554446726	/nfs/dbraw/zinc/44/67/26/554446726.db2.gz	XOTKHTWPLMAYDV-NRFANRHFSA-N	0	1	541.025	5.853	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2cccnc2)nc1C	ZINC000100680413	554446838	/nfs/dbraw/zinc/44/68/38/554446838.db2.gz	HFYHAWNUDVCLJX-QFIPXVFZSA-N	0	1	533.606	5.151	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000100681080	554447179	/nfs/dbraw/zinc/44/71/79/554447179.db2.gz	QRWWLVXVVJSXHA-NRFANRHFSA-N	0	1	541.025	5.853	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000100681056	554447195	/nfs/dbraw/zinc/44/71/95/554447195.db2.gz	FSMFLUVKEULLDW-OAQYLSRUSA-N	0	1	585.476	5.962	50	30		KKEAMN
CCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC	ZINC000100681077	554447215	/nfs/dbraw/zinc/44/72/15/554447215.db2.gz	CNXJNVFZKQZUSS-NDEPHWFRSA-N	0	1	636.767	7.168	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000100681186	554447541	/nfs/dbraw/zinc/44/75/41/554447541.db2.gz	SLAPORDPOPICCN-PQHLKRTFSA-N	0	1	541.644	6.202	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1OC	ZINC000100681178	554447557	/nfs/dbraw/zinc/44/75/57/554447557.db2.gz	ONQGCYXYUYTZLE-IRPSRAIASA-N	0	1	551.680	6.200	50	30		KKEAMN
CCCCCCCCCCCCCCCCCCNC(=O)c1cc(Br)c2ccccc2c1O	ZINC000100725393	554456661	/nfs/dbraw/zinc/45/66/61/554456661.db2.gz	MREJAXPGNOJWDP-UHFFFAOYSA-N	0	1	518.580	9.299	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Cl)c2)c(C)c1	ZINC000100736813	554461227	/nfs/dbraw/zinc/46/12/27/554461227.db2.gz	ONXRNDKJBBSVJI-QFIPXVFZSA-N	0	1	555.052	6.162	50	30		KKEAMN
CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccccc1I	ZINC000100936031	554529680	/nfs/dbraw/zinc/52/96/80/554529680.db2.gz	JGAMQQCFMLHXMB-AFUMVMLFSA-N	0	1	543.386	5.965	50	30		KKEAMN
[O-]C(=[NH+]n1cnnc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000068562757	554538679	/nfs/dbraw/zinc/53/86/79/554538679.db2.gz	WDNPVTGTOXYABY-UHFFFAOYSA-N	0	1	530.138	5.007	50	30		KKEAMN
Cc1ccc2nc(-c3cccc(/N=C/c4cc(I)cc(I)c4O)c3)oc2c1	ZINC000100957575	554540433	/nfs/dbraw/zinc/54/04/33/554540433.db2.gz	IPTPAEWDTXTWNB-BHGWPJFGSA-N	0	1	580.163	6.469	50	30		KKEAMN
O=[N+]([O-])c1ccc(Nc2nc(N=NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc(N3CCCCC3)n2)cc1	ZINC000100985117	554548426	/nfs/dbraw/zinc/54/84/26/554548426.db2.gz	JEWPMPCOAGIWGN-WGOQTCKBSA-N	0	1	529.517	5.128	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1	ZINC000101069820	554574282	/nfs/dbraw/zinc/57/42/82/554574282.db2.gz	POZKHLZQVTVRCU-YDJIHCHBSA-N	0	1	536.731	6.748	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)o1	ZINC000101069861	554574364	/nfs/dbraw/zinc/57/43/64/554574364.db2.gz	SMIIQULQUUOUTA-WOOAAIBNSA-N	0	1	513.344	5.726	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)o1	ZINC000101069854	554574378	/nfs/dbraw/zinc/57/43/78/554574378.db2.gz	PKYYTVTWCMHJJF-PGVNHDJNSA-N	0	1	523.408	6.203	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1	ZINC000101069836	554574387	/nfs/dbraw/zinc/57/43/87/554574387.db2.gz	FDYIUEAGIPLPJR-HFEWCJDKSA-N	0	1	537.410	6.441	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000101069787	554574396	/nfs/dbraw/zinc/57/43/96/554574396.db2.gz	IOFPYUIMNHASGV-JBCNATCCSA-N	0	1	523.383	6.133	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1	ZINC000101069824	554574468	/nfs/dbraw/zinc/57/44/68/554574468.db2.gz	SKFQXADIGGLKHZ-HFEWCJDKSA-N	0	1	553.865	6.955	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCC=C)c(OCC)c2)nc1C	ZINC000101276836	554703590	/nfs/dbraw/zinc/70/35/90/554703590.db2.gz	SPFVGAOJEUVWQT-CZNAVJSXSA-N	0	1	618.664	5.155	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000101277373	554703996	/nfs/dbraw/zinc/70/39/96/554703996.db2.gz	DMHIXOCMQRRWGH-NXLSWJSLSA-N	0	1	578.643	5.145	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C	ZINC000101278008	554704551	/nfs/dbraw/zinc/70/45/51/554704551.db2.gz	KRZZUAHBOWTEEX-ONQGDUAMSA-N	0	1	625.659	6.216	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(Br)c2)nc1C	ZINC000101278207	554704835	/nfs/dbraw/zinc/70/48/35/554704835.db2.gz	SVXBLDUZODXGHK-JBCNATCCSA-N	0	1	583.460	5.500	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccnc2)nc1C	ZINC000101278526	554705099	/nfs/dbraw/zinc/70/50/99/554705099.db2.gz	BKDWXQNIUHFJOO-CZNAVJSXSA-N	0	1	581.650	5.703	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000101294536	554711183	/nfs/dbraw/zinc/71/11/83/554711183.db2.gz	RGNUDEGGICXRNL-MOBKVPTQSA-N	0	1	504.589	5.558	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000101294335	554711308	/nfs/dbraw/zinc/71/13/08/554711308.db2.gz	QNCYSROSRFPRFL-NPJIAGGLSA-N	0	1	561.015	5.912	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000101310211	554717088	/nfs/dbraw/zinc/71/70/88/554717088.db2.gz	CSDLTQKYWIWAJG-VXJPNWOUSA-N	0	1	525.601	5.595	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000101316862	554724140	/nfs/dbraw/zinc/72/41/40/554724140.db2.gz	PPUMWZZHRBONIC-NSOCNUKWSA-N	0	1	615.708	6.484	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000101316975	554724333	/nfs/dbraw/zinc/72/43/33/554724333.db2.gz	XPIZKVVEMNGGDW-ROBPHKHBSA-N	0	1	615.708	6.484	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F	ZINC000101338100	554734626	/nfs/dbraw/zinc/73/46/26/554734626.db2.gz	VUDJMPWFRUHZAV-MUUNZHRXSA-N	0	1	543.547	5.793	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000101347439	554737563	/nfs/dbraw/zinc/73/75/63/554737563.db2.gz	LVLWDQYQRYTGAH-SGANQWHYSA-N	0	1	557.584	5.710	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	ZINC000101672010	554825630	/nfs/dbraw/zinc/82/56/30/554825630.db2.gz	JMEZRQDRKQYTFK-PGUFJCEWSA-N	0	1	601.187	9.041	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000101975101	554862854	/nfs/dbraw/zinc/86/28/54/554862854.db2.gz	QZUXAACEWRERPR-AREMUKBSSA-N	0	1	613.648	6.207	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000102076493	554874600	/nfs/dbraw/zinc/87/46/00/554874600.db2.gz	SVXQBIOFEBWELY-KXDYMIPJSA-N	0	1	501.579	5.650	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000102076465	554874640	/nfs/dbraw/zinc/87/46/40/554874640.db2.gz	DKHAJTRMPUWITN-MNOIWJKESA-N	0	1	511.618	6.057	50	30		KKEAMN
CCCCCCCCCCCCCCCCCC(=O)Nc1[nH]n(-c2ccccc2)c(=O)c1Sc1nnnn1-c1ccccc1	ZINC000102165938	554890406	/nfs/dbraw/zinc/89/04/06/554890406.db2.gz	QCXUFOUWYUJIHY-HKBQPEDESA-N	0	1	617.864	7.861	50	30		KKEAMN
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000102369017	554915949	/nfs/dbraw/zinc/91/59/49/554915949.db2.gz	YZBASRXFNLRIFC-UUALVTFQSA-N	0	1	500.595	5.249	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000102482893	554937710	/nfs/dbraw/zinc/93/77/10/554937710.db2.gz	SMYPQYOMLIECNM-DZTJFIFISA-N	0	1	528.605	5.214	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1C	ZINC000102483670	554937749	/nfs/dbraw/zinc/93/77/49/554937749.db2.gz	YFXFDBIQVULBQX-CZNAVJSXSA-N	0	1	571.512	5.080	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Br)c2)cc1	ZINC000102488928	554938875	/nfs/dbraw/zinc/93/88/75/554938875.db2.gz	VIPDPBREHCPCFI-MOBKVPTQSA-N	0	1	551.418	5.702	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000102493629	554940122	/nfs/dbraw/zinc/94/01/22/554940122.db2.gz	GAPRIEXLSQFQNH-MRJHHRETSA-N	0	1	541.025	5.613	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000102498336	554941583	/nfs/dbraw/zinc/94/15/83/554941583.db2.gz	FXXADBVLRBCHDB-AHPONGEQSA-N	0	1	564.638	5.998	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3C)cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000102499485	554941835	/nfs/dbraw/zinc/94/18/35/554941835.db2.gz	GUTAPRMOZZFNKN-DFXXOVSGSA-N	0	1	531.605	5.049	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Br)cc1	ZINC000102499549	554942114	/nfs/dbraw/zinc/94/21/14/554942114.db2.gz	DWSQEYQKBKTOPU-AHPONGEQSA-N	0	1	612.649	9.361	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000102502907	554943744	/nfs/dbraw/zinc/94/37/44/554943744.db2.gz	BFTOXOJLTSAYOJ-XVTRYDTASA-N	0	1	503.551	5.022	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000102504335	554944300	/nfs/dbraw/zinc/94/43/00/554944300.db2.gz	ZXSWCPJOGHJEQB-SZYGQJGOSA-N	0	1	563.650	6.825	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000102504343	554944327	/nfs/dbraw/zinc/94/43/27/554944327.db2.gz	ZXSWCPJOGHJEQB-KFLIVHAJSA-N	0	1	563.650	6.825	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)cc1C	ZINC000102506522	554944552	/nfs/dbraw/zinc/94/45/52/554944552.db2.gz	CGQBWPMUFNJCJY-CZNAVJSXSA-N	0	1	571.512	5.080	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1	ZINC000102506329	554944587	/nfs/dbraw/zinc/94/45/87/554944587.db2.gz	QYHLOJQWZMACMS-HOGKFDNTSA-N	0	1	506.605	5.782	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCOC)cc1OC	ZINC000102514494	554947592	/nfs/dbraw/zinc/94/75/92/554947592.db2.gz	FMPNKBXCSZWBOU-WGGXKBPPSA-N	0	1	545.632	5.440	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Cl)cc1	ZINC000102517423	554948518	/nfs/dbraw/zinc/94/85/18/554948518.db2.gz	TUXRZLBTWMJTOF-CZNAVJSXSA-N	0	1	505.014	5.211	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1	ZINC000102520484	554949628	/nfs/dbraw/zinc/94/96/28/554949628.db2.gz	BVMBPVKAIIZGMI-HFEWCJDKSA-N	0	1	503.511	5.587	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102527147	554952485	/nfs/dbraw/zinc/95/24/85/554952485.db2.gz	PZGXVMIXPXZZJZ-MOBKVPTQSA-N	0	1	535.419	6.084	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102527142	554952539	/nfs/dbraw/zinc/95/25/39/554952539.db2.gz	PZGXVMIXPXZZJZ-HOGKFDNTSA-N	0	1	535.419	6.084	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)cc1	ZINC000102529317	554953034	/nfs/dbraw/zinc/95/30/34/554953034.db2.gz	YNJPPDKWZFQVTF-MRJHHRETSA-N	0	1	539.382	5.833	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000102529323	554953087	/nfs/dbraw/zinc/95/30/87/554953087.db2.gz	YNJPPDKWZFQVTF-JBCNATCCSA-N	0	1	539.382	5.833	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC)cc3)sc2c1	ZINC000102529795	554953427	/nfs/dbraw/zinc/95/34/27/554953427.db2.gz	JGRLGPOEBKOMGG-ZHHPLPSFSA-N	0	1	520.994	5.983	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000102529954	554953492	/nfs/dbraw/zinc/95/34/92/554953492.db2.gz	SDRHGBNICKOYJR-SBXHHDGASA-N	0	1	534.565	5.478	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000102535442	554955336	/nfs/dbraw/zinc/95/53/36/554955336.db2.gz	KYZBGBZPQQZZMD-TXTDGAROSA-N	0	1	561.631	5.058	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000102535935	554955613	/nfs/dbraw/zinc/95/56/13/554955613.db2.gz	RUOPKXJHGLHQRE-WENCHWOGSA-N	0	1	541.644	6.065	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OC)c2)nc1C	ZINC000102536318	554955655	/nfs/dbraw/zinc/95/56/55/554955655.db2.gz	CMSIITJRWWGINW-ONQGDUAMSA-N	0	1	614.676	5.856	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc(OC)c3OC)sc2c1	ZINC000102544046	554958434	/nfs/dbraw/zinc/95/84/34/554958434.db2.gz	WXXYVJMEFMACKJ-HOGKFDNTSA-N	0	1	520.563	5.240	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000102547600	554959965	/nfs/dbraw/zinc/95/99/65/554959965.db2.gz	IZPONIVBIWBCRU-CJJGVWJISA-N	0	1	613.648	6.050	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000102549532	554961062	/nfs/dbraw/zinc/96/10/62/554961062.db2.gz	VINNVDSSNVRWHP-MIOXIQPJSA-N	0	1	611.075	6.926	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000102555118	554964072	/nfs/dbraw/zinc/96/40/72/554964072.db2.gz	UXMPFWXDLRWTFH-VEZPTTSMSA-N	0	1	572.617	9.896	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000102557010	554964959	/nfs/dbraw/zinc/96/49/59/554964959.db2.gz	WSUFLLUCPSADPD-CZNAVJSXSA-N	0	1	503.551	5.242	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000102558059	554965605	/nfs/dbraw/zinc/96/56/05/554965605.db2.gz	WBYWHIBBVMKTGF-XYGUOAIHSA-N	0	1	571.869	7.206	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1	ZINC000102561322	554968348	/nfs/dbraw/zinc/96/83/48/554968348.db2.gz	GKFCYGSISOMEGX-IKZPYDRGSA-N	0	1	569.639	5.384	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC	ZINC000102580511	554972208	/nfs/dbraw/zinc/97/22/08/554972208.db2.gz	VBBPRKBXZBXELW-UUALVTFQSA-N	0	1	606.697	6.019	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C	ZINC000102584194	554972751	/nfs/dbraw/zinc/97/27/51/554972751.db2.gz	QHRHEBQCXVHLQN-HSZRJFAPSA-N	0	1	566.632	5.223	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1	ZINC000102586103	554973225	/nfs/dbraw/zinc/97/32/25/554973225.db2.gz	LAEVDSQBUHLKGT-QMMFTLRZSA-N	0	1	521.717	8.729	50	30		KKEAMN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000102590442	554973783	/nfs/dbraw/zinc/97/37/83/554973783.db2.gz	CDTDKIKXMVTYGJ-CJJGVWJISA-N	0	1	603.697	6.490	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000102599023	554977491	/nfs/dbraw/zinc/97/74/91/554977491.db2.gz	ZDHNJQJDHCTYJO-IUKMQXEJSA-N	0	1	587.679	5.545	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1	ZINC000102601681	554977974	/nfs/dbraw/zinc/97/79/74/554977974.db2.gz	SBDFHBPLNOGZTP-MIOXIQPJSA-N	0	1	626.687	6.029	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000102610333	554980781	/nfs/dbraw/zinc/98/07/81/554980781.db2.gz	VSMFVBKBTCOUAA-NXLSWJSLSA-N	0	1	573.652	5.237	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000102609264	554980847	/nfs/dbraw/zinc/98/08/47/554980847.db2.gz	YJDFTQYKTFCXTP-IUKMQXEJSA-N	0	1	605.669	5.766	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccnc2)cc1	ZINC000102614251	554984045	/nfs/dbraw/zinc/98/40/45/554984045.db2.gz	AYCJFSPMBOYRJO-MRJHHRETSA-N	0	1	500.605	5.160	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	ZINC000102614566	554984060	/nfs/dbraw/zinc/98/40/60/554984060.db2.gz	AZKVQXXTGDGOGP-NHFXJNLRSA-N	0	1	502.832	5.893	50	30		KKEAMN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000102615340	554984278	/nfs/dbraw/zinc/98/42/78/554984278.db2.gz	JRTLDRGVCWHUEN-CZNAVJSXSA-N	0	1	620.152	7.005	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C	ZINC000102615848	554984342	/nfs/dbraw/zinc/98/43/42/554984342.db2.gz	DWBZJNOTACKMTQ-UUALVTFQSA-N	0	1	582.634	5.631	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000102624120	554987761	/nfs/dbraw/zinc/98/77/61/554987761.db2.gz	LBMAEEKTBSEYBT-ZHHPLPSFSA-N	0	1	612.516	6.535	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1	ZINC000102623331	554987767	/nfs/dbraw/zinc/98/77/67/554987767.db2.gz	AEYJXOUBPIMJEN-NPJIAGGLSA-N	0	1	562.644	5.621	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000102651006	554995913	/nfs/dbraw/zinc/99/59/13/554995913.db2.gz	ZMAUQISYADBSRA-XLNMUAQOSA-N	0	1	547.976	5.808	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000102651652	554996263	/nfs/dbraw/zinc/99/62/63/554996263.db2.gz	LVOZOFLAAJFTJN-WBMUNJTESA-N	0	1	589.670	5.928	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1	ZINC000102652223	554996509	/nfs/dbraw/zinc/99/65/09/554996509.db2.gz	IPAUEBUFQPGGIC-YMCWBSDSSA-N	0	1	565.420	6.148	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1	ZINC000102652055	554996575	/nfs/dbraw/zinc/99/65/75/554996575.db2.gz	ABRLQZFVXMEBCH-YMCWBSDSSA-N	0	1	565.420	6.148	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102653737	554997414	/nfs/dbraw/zinc/99/74/14/554997414.db2.gz	KCGQOJOZVAIBLA-HALAOQOWSA-N	0	1	610.544	7.087	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C	ZINC000102656164	554999138	/nfs/dbraw/zinc/99/91/38/554999138.db2.gz	SZNBQTUBQVICCR-CZNAVJSXSA-N	0	1	620.680	5.379	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000102664024	555001150	/nfs/dbraw/zinc/00/11/50/555001150.db2.gz	GITBJUKPICBQOH-ZHHPLPSFSA-N	0	1	534.977	5.356	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000102663326	555001248	/nfs/dbraw/zinc/00/12/48/555001248.db2.gz	KZFVDRUJXYUOAJ-XLNMUAQOSA-N	0	1	531.521	5.293	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000102664028	555001258	/nfs/dbraw/zinc/00/12/58/555001258.db2.gz	GITBJUKPICBQOH-AYWGPLOBSA-N	0	1	534.977	5.356	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(Cl)c(Cl)c2)s1	ZINC000102665795	555001635	/nfs/dbraw/zinc/00/16/35/555001635.db2.gz	OKBVGDJVMRLNSO-BJDFWYCCSA-N	0	1	502.379	5.103	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000102677687	555004339	/nfs/dbraw/zinc/00/43/39/555004339.db2.gz	OCIPVPXTHYZOLQ-LOOKCOSASA-N	0	1	634.751	6.546	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(F)cc3)cc2)c1	ZINC000102716836	555018798	/nfs/dbraw/zinc/01/87/98/555018798.db2.gz	ZTGDUKRLTVXEGY-DFXXOVSGSA-N	0	1	525.580	5.422	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCOC)cc1	ZINC000102717040	555018840	/nfs/dbraw/zinc/01/88/40/555018840.db2.gz	HWVVRWIGGCZILD-TXTDGAROSA-N	0	1	515.606	5.431	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000102716237	555018919	/nfs/dbraw/zinc/01/89/19/555018919.db2.gz	SQHIGWBEZBTIAS-ZHHPLPSFSA-N	0	1	533.005	5.925	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000102721677	555020373	/nfs/dbraw/zinc/02/03/73/555020373.db2.gz	ASMLMQICKTUFAZ-WGGXKBPPSA-N	0	1	529.633	6.280	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(Cl)c3)cc2)c1	ZINC000102732978	555024385	/nfs/dbraw/zinc/02/43/85/555024385.db2.gz	WUOFMUXVIGZTKY-CJJGVWJISA-N	0	1	505.014	5.211	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(Cl)c3)cc2)c1	ZINC000102732978	555024388	/nfs/dbraw/zinc/02/43/88/555024388.db2.gz	WUOFMUXVIGZTKY-CJJGVWJISA-N	0	1	505.014	5.211	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000102734817	555024976	/nfs/dbraw/zinc/02/49/76/555024976.db2.gz	JEMZYCWPWGJGAB-DFXXOVSGSA-N	0	1	531.605	5.049	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000102770770	555057980	/nfs/dbraw/zinc/05/79/80/555057980.db2.gz	XBCYGHQJRDOKSI-BGJULJLKSA-N	0	1	512.393	5.025	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000102770803	555058152	/nfs/dbraw/zinc/05/81/52/555058152.db2.gz	MYNPSRVRPGBLNR-WTPDXTQDSA-N	0	1	555.414	6.692	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102771275	555060062	/nfs/dbraw/zinc/06/00/62/555060062.db2.gz	LMIYFPDDGYERDB-XLNMUAQOSA-N	0	1	537.424	6.553	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000102858962	555089360	/nfs/dbraw/zinc/08/93/60/555089360.db2.gz	WHGPOGYOGHLULS-ONQGDUAMSA-N	0	1	516.594	5.151	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102862756	555092611	/nfs/dbraw/zinc/09/26/11/555092611.db2.gz	DOYAWPOMTUOPHU-GSYBUTJLSA-N	0	1	541.644	6.210	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000102862485	555092625	/nfs/dbraw/zinc/09/26/25/555092625.db2.gz	VTZGAQBTJGENKO-FFMCZVIESA-N	0	1	555.671	6.108	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1	ZINC000102866932	555096389	/nfs/dbraw/zinc/09/63/89/555096389.db2.gz	PXVDJVXZXHMJLO-QMMFTLRZSA-N	0	1	538.172	9.243	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000102867814	555097351	/nfs/dbraw/zinc/09/73/51/555097351.db2.gz	CTGVJCDZRFLDMC-DFXXOVSGSA-N	0	1	529.589	5.267	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1	ZINC000102867780	555097388	/nfs/dbraw/zinc/09/73/88/555097388.db2.gz	ZIIPQCRJPYTJJR-TXTDGAROSA-N	0	1	513.590	5.649	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102868653	555098277	/nfs/dbraw/zinc/09/82/77/555098277.db2.gz	NWJIVEYCBFEERE-ICQXDZJJSA-N	0	1	541.644	5.862	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCCC(C)C	ZINC000102869558	555099195	/nfs/dbraw/zinc/09/91/95/555099195.db2.gz	XPCBWLLEHBDHQP-NXLSWJSLSA-N	0	1	510.974	5.696	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000102872821	555103548	/nfs/dbraw/zinc/10/35/48/555103548.db2.gz	DGFNFDNWWLJHGS-VIDUVWHZSA-N	0	1	569.698	6.498	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2c2nnc(C)s2)ccc1O	ZINC000102873548	555104066	/nfs/dbraw/zinc/10/40/66/555104066.db2.gz	FNFNLZXDQDVGCR-NPJIAGGLSA-N	0	1	543.601	5.074	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2c2nnc(C)s2)ccc1O	ZINC000102873546	555104073	/nfs/dbraw/zinc/10/40/73/555104073.db2.gz	FNFNLZXDQDVGCR-IUKMQXEJSA-N	0	1	543.601	5.074	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000102874625	555104949	/nfs/dbraw/zinc/10/49/49/555104949.db2.gz	GPOSVMFWDRDRDI-YDJIHCHBSA-N	0	1	561.443	5.878	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000102877090	555106722	/nfs/dbraw/zinc/10/67/22/555106722.db2.gz	SCWVRJULSSSSQR-AYWGPLOBSA-N	0	1	504.539	5.469	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000102880213	555109358	/nfs/dbraw/zinc/10/93/58/555109358.db2.gz	VDAIJGSCNPEUPZ-FFMCZVIESA-N	0	1	555.671	6.456	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000102881456	555110197	/nfs/dbraw/zinc/11/01/97/555110197.db2.gz	CIOLPXJGDCJMBR-ZHHPLPSFSA-N	0	1	550.564	5.096	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000102883884	555112621	/nfs/dbraw/zinc/11/26/21/555112621.db2.gz	LOIKPKBDODCKIW-KFLIVHAJSA-N	0	1	563.779	8.612	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102883969	555112662	/nfs/dbraw/zinc/11/26/62/555112662.db2.gz	CVMXMKXZPBYRQR-AYWGPLOBSA-N	0	1	569.422	6.009	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1	ZINC000102884277	555113196	/nfs/dbraw/zinc/11/31/96/555113196.db2.gz	REBYOHZSLMBCGE-RJIUIVJKSA-N	0	1	560.823	8.964	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000102884802	555114502	/nfs/dbraw/zinc/11/45/02/555114502.db2.gz	JXRXVLGONFDOBD-CFQDGGCTSA-N	0	1	577.806	8.915	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000102884783	555114563	/nfs/dbraw/zinc/11/45/63/555114563.db2.gz	ZGUBPBDPDDYIMP-VTVSLZSGSA-N	0	1	559.663	5.296	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000102885045	555115111	/nfs/dbraw/zinc/11/51/11/555115111.db2.gz	GTBDSYMWLLANMR-CZNAVJSXSA-N	0	1	577.058	6.526	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1	ZINC000102886091	555116424	/nfs/dbraw/zinc/11/64/24/555116424.db2.gz	LDMFZYRTXJWMSN-UUALVTFQSA-N	0	1	570.623	5.518	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000102887297	555118830	/nfs/dbraw/zinc/11/88/30/555118830.db2.gz	YZPKENIGULFGEA-XVTRYDTASA-N	0	1	620.152	6.832	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000102887301	555118847	/nfs/dbraw/zinc/11/88/47/555118847.db2.gz	BBQMRYCDWAPUOX-NSOCNUKWSA-N	0	1	617.724	6.708	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102887800	555120142	/nfs/dbraw/zinc/12/01/42/555120142.db2.gz	JLYOKVIJEMEGHU-KXDYMIPJSA-N	0	1	599.734	6.569	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000102888259	555121167	/nfs/dbraw/zinc/12/11/67/555121167.db2.gz	FWTOIUXJIIMMQG-BFLOGMOSSA-N	0	1	613.717	5.875	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1	ZINC000102888910	555122531	/nfs/dbraw/zinc/12/25/31/555122531.db2.gz	XRYOYJSRAFUQJC-CJJGVWJISA-N	0	1	556.596	5.128	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C	ZINC000102889568	555123732	/nfs/dbraw/zinc/12/37/32/555123732.db2.gz	MOEWHYVMYSZBCK-OGHRCCBNSA-N	0	1	592.670	5.375	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000102889999	555124858	/nfs/dbraw/zinc/12/48/58/555124858.db2.gz	HXEUMKANINIIOL-VEZPTTSMSA-N	0	1	557.643	5.700	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102890604	555125858	/nfs/dbraw/zinc/12/58/58/555125858.db2.gz	QAPIOLNGDNHQKY-NXLSWJSLSA-N	0	1	593.455	5.855	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000102893347	555130754	/nfs/dbraw/zinc/13/07/54/555130754.db2.gz	KDZFHYFJGVVDAV-QBCYBHDASA-N	0	1	542.632	5.605	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000102893489	555131050	/nfs/dbraw/zinc/13/10/50/555131050.db2.gz	XRBQOEPPYRKIIV-FCLPXNLHSA-N	0	1	573.690	5.686	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1	ZINC000102893526	555131094	/nfs/dbraw/zinc/13/10/94/555131094.db2.gz	XKISSRLHRYJTHY-RDGASKBCSA-N	0	1	576.649	6.005	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C	ZINC000102893695	555131452	/nfs/dbraw/zinc/13/14/52/555131452.db2.gz	GNOXBHNFHVRHAE-ONQGDUAMSA-N	0	1	612.660	5.605	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102893775	555131674	/nfs/dbraw/zinc/13/16/74/555131674.db2.gz	HCYKITXKKVQGDS-PLQDCEFPSA-N	0	1	569.698	6.642	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccs1)c1ccc2c(c1)OCCO2	ZINC000102894082	555131968	/nfs/dbraw/zinc/13/19/68/555131968.db2.gz	GOYOUIDHQDFOHK-NHFXJNLRSA-N	0	1	510.980	5.409	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000102894648	555132814	/nfs/dbraw/zinc/13/28/14/555132814.db2.gz	LVVGOLOAXJKLCG-TXTDGAROSA-N	0	1	547.604	5.496	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1	ZINC000102895206	555133738	/nfs/dbraw/zinc/13/37/38/555133738.db2.gz	WUFNMBKRGDBSRU-YREDKMEYSA-N	0	1	512.606	5.596	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000102895117	555133794	/nfs/dbraw/zinc/13/37/94/555133794.db2.gz	KABSVXYFMBURGW-ZORLYMSLSA-N	0	1	563.606	5.667	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000102895424	555134339	/nfs/dbraw/zinc/13/43/39/555134339.db2.gz	FQQGDAFKVHBLNE-FZIYRNTBSA-N	0	1	620.724	6.156	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000102895727	555134852	/nfs/dbraw/zinc/13/48/52/555134852.db2.gz	ICFCGXWZFNCMMB-FLJNSMSWSA-N	0	1	619.139	7.477	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000102897413	555137863	/nfs/dbraw/zinc/13/78/63/555137863.db2.gz	BVXVLYVOJNSRDD-CZNAVJSXSA-N	0	1	505.014	5.211	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O	ZINC000102897429	555137867	/nfs/dbraw/zinc/13/78/67/555137867.db2.gz	HUHSWABZFOOHEP-MEDZALOKSA-N	0	1	549.004	5.614	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102898254	555138376	/nfs/dbraw/zinc/13/83/76/555138376.db2.gz	HWYPPSNSBGXLNK-WGQAXHKASA-N	0	1	533.005	5.908	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000102899474	555139350	/nfs/dbraw/zinc/13/93/50/555139350.db2.gz	SAEVUAAUPQMQLK-LODGOHBISA-N	0	1	613.761	6.877	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl	ZINC000102924959	555149079	/nfs/dbraw/zinc/14/90/79/555149079.db2.gz	CWJMWWFOZMOYLS-NPJIAGGLSA-N	0	1	522.045	5.745	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC	ZINC000102926125	555150301	/nfs/dbraw/zinc/15/03/01/555150301.db2.gz	IAEGKQNLYNUREC-AYWGPLOBSA-N	0	1	536.631	5.790	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccs2)cc1	ZINC000102926170	555150679	/nfs/dbraw/zinc/15/06/79/555150679.db2.gz	VUTVBDFXVIPBKM-WOOAAIBNSA-N	0	1	512.609	5.105	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000102926642	555151139	/nfs/dbraw/zinc/15/11/39/555151139.db2.gz	HRKRZZSUBZGERU-MIOXIQPJSA-N	0	1	595.523	6.025	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102927554	555152173	/nfs/dbraw/zinc/15/21/73/555152173.db2.gz	HNTHMYASZPOISF-VDBNUPDGSA-N	0	1	555.671	6.252	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102929722	555155787	/nfs/dbraw/zinc/15/57/87/555155787.db2.gz	XNTVMBNJIBPMDK-MOBKVPTQSA-N	0	1	508.958	6.114	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102929820	555156133	/nfs/dbraw/zinc/15/61/33/555156133.db2.gz	UPFIRFUEHBPYDT-CJJGVWJISA-N	0	1	501.627	5.481	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000102930051	555156419	/nfs/dbraw/zinc/15/64/19/555156419.db2.gz	JWUOYXGDHAIWGE-NPJIAGGLSA-N	0	1	501.539	5.099	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Br)cc1	ZINC000102930158	555156505	/nfs/dbraw/zinc/15/65/05/555156505.db2.gz	IPEIFJGGJORQRN-CZNAVJSXSA-N	0	1	549.465	5.320	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000102930906	555158023	/nfs/dbraw/zinc/15/80/23/555158023.db2.gz	QVCNREHNDZGBBM-KFLIVHAJSA-N	0	1	562.666	6.350	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000102930906	555158025	/nfs/dbraw/zinc/15/80/25/555158025.db2.gz	QVCNREHNDZGBBM-KFLIVHAJSA-N	0	1	562.666	6.350	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102931901	555159371	/nfs/dbraw/zinc/15/93/71/555159371.db2.gz	WYWCMNNQTJTMKN-MOBKVPTQSA-N	0	1	569.864	6.737	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(C)cc1	ZINC000102932875	555160234	/nfs/dbraw/zinc/16/02/34/555160234.db2.gz	BCIYVAGWADNNIQ-AHPONGEQSA-N	0	1	596.650	9.661	50	30		KKEAMN
COc1ccccc1NS(=O)(=O)c1cc(NC(=NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1N1CCCCC1	ZINC000102934300	555161510	/nfs/dbraw/zinc/16/15/10/555161510.db2.gz	PXDGHZMTSPIQPY-UHFFFAOYSA-N	0	1	618.781	6.042	50	30		KKEAMN
N#Cc1cccc(NC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(C(=O)NC3CCCCC3)c2)c1	ZINC000103024105	555214528	/nfs/dbraw/zinc/21/45/28/555214528.db2.gz	QFEHMNXDCPZTIK-UHFFFAOYSA-N	0	1	536.680	5.587	50	30		KKEAMN
Cc1nn(-c2cccc(F)c2)c(N2CCN(C(C)C)CC2)c1CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)C	ZINC000103205146	555338948	/nfs/dbraw/zinc/33/89/48/555338948.db2.gz	AJPCGQXPLBRKRT-UHFFFAOYSA-N	0	1	613.622	6.939	50	30		KKEAMN
CCCc1sc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2C)c(C#N)c1C	ZINC000103681542	555462232	/nfs/dbraw/zinc/46/22/32/555462232.db2.gz	BIOKXSMWQVWHGY-ZDLGFXPLSA-N	0	1	557.528	6.426	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000100735756	571361141	/nfs/dbraw/zinc/36/11/41/571361141.db2.gz	FGAKELFPMCSZEV-QHCPKHFHSA-N	0	1	566.632	5.135	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Br)c2)nc1C	ZINC000103929024	571370078	/nfs/dbraw/zinc/37/00/78/571370078.db2.gz	GCMOQPFZYQVVGK-NHFXJNLRSA-N	0	1	571.449	5.334	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000103928974	571370146	/nfs/dbraw/zinc/37/01/46/571370146.db2.gz	ZFISHYDAVKQXPJ-NHFXJNLRSA-N	0	1	526.998	5.225	50	30		KKEAMN
CCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1/N=C/c1cc(I)cc(I)c1O	ZINC000150339427	571457422	/nfs/dbraw/zinc/45/74/22/571457422.db2.gz	ADPGEVSETMJAFY-KPGMTVGESA-N	0	1	730.365	8.472	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1	ZINC000150352382	571462422	/nfs/dbraw/zinc/46/24/22/571462422.db2.gz	ZYBQIKQEJQSZGR-YCPBAFNGSA-N	0	1	635.026	7.467	50	30		KKEAMN
COC(=O)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(Br)cc(Br)c4O)cc3s2)cc1	ZINC000150357360	571463357	/nfs/dbraw/zinc/46/33/57/571463357.db2.gz	UPXBKAKGSYOUQC-LUOAPIJWSA-N	0	1	635.359	6.795	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150387091	571469807	/nfs/dbraw/zinc/46/98/07/571469807.db2.gz	WQMWNXHUUDIZBP-TXTDGAROSA-N	0	1	663.749	6.555	50	30		KKEAMN
CCCC(=O)C1=C(Nc2ccc(-c3ccc(NC4=C(C(=O)CCC)C(O)=C(C(=O)OC)C(C)(C)C4)cc3)cc2)CC(C)(C)[C@H](C(=O)OC)C1=O	ZINC000150415237	571485405	/nfs/dbraw/zinc/48/54/05/571485405.db2.gz	ZGAUELUAJGRJHL-AQOUDTPCSA-N	0	1	684.830	7.000	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150418203	571486389	/nfs/dbraw/zinc/48/63/89/571486389.db2.gz	IECSAWRQOZEICZ-WKUSSTJHSA-N	0	1	664.205	7.231	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C	ZINC000150422188	571488057	/nfs/dbraw/zinc/48/80/57/571488057.db2.gz	PCXGNBGMNYVOGS-QZDFLZESSA-N	0	1	671.841	7.604	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000150426375	571490590	/nfs/dbraw/zinc/49/05/90/571490590.db2.gz	RSWKTUBHJPCSQE-NXLSWJSLSA-N	0	1	636.107	5.668	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000150426644	571490978	/nfs/dbraw/zinc/49/09/78/571490978.db2.gz	MWQIIKDOJYSFOA-QMDVFYPZSA-N	0	1	649.750	6.720	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCCCC)c(OC)c2)nc1C	ZINC000150432182	571494141	/nfs/dbraw/zinc/49/41/41/571494141.db2.gz	GSRAPVXZKJQMRM-LJAQVGFWSA-N	0	1	648.778	7.334	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1	ZINC000150435495	571495498	/nfs/dbraw/zinc/49/54/98/571495498.db2.gz	DAGLJGLTWUUADW-HTDBSKDNSA-N	0	1	726.276	8.411	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1	ZINC000150435533	571495513	/nfs/dbraw/zinc/49/55/13/571495513.db2.gz	LOSQQCCTQRVVIX-DNPZSINUSA-N	0	1	709.821	7.897	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1	ZINC000150439712	571497523	/nfs/dbraw/zinc/49/75/23/571497523.db2.gz	UCYRZWYTLNYIBE-UGQRDJPYSA-N	0	1	691.831	7.758	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1	ZINC000150439916	571497584	/nfs/dbraw/zinc/49/75/84/571497584.db2.gz	VYFRXGUGTUNNRV-QCRSBAEDSA-N	0	1	726.276	8.411	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C	ZINC000150445307	571500496	/nfs/dbraw/zinc/50/04/96/571500496.db2.gz	XQWYNSVFGAVIIY-WGGXKBPPSA-N	0	1	656.713	6.003	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000150445616	571500630	/nfs/dbraw/zinc/50/06/30/571500630.db2.gz	NOTAMKLKMUQBEA-UUALVTFQSA-N	0	1	644.702	5.778	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150445843	571500778	/nfs/dbraw/zinc/50/07/78/571500778.db2.gz	OFZMUGYCGMCRGQ-QBCYBHDASA-N	0	1	662.233	8.003	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150454001	571503758	/nfs/dbraw/zinc/50/37/58/571503758.db2.gz	HISKGDICXHCIRS-CJNZMNDESA-N	0	1	697.838	8.512	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150457088	571504695	/nfs/dbraw/zinc/50/46/95/571504695.db2.gz	LWZQMYQLJRPHKJ-HWTUVFLMSA-N	0	1	659.761	6.883	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150457680	571504895	/nfs/dbraw/zinc/50/48/95/571504895.db2.gz	HIBLOLNHIVPKHV-FPRSLYQBSA-N	0	1	682.651	8.266	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150457685	571504979	/nfs/dbraw/zinc/50/49/79/571504979.db2.gz	HIBLOLNHIVPKHV-XKNZNLGKSA-N	0	1	682.651	8.266	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150457537	571505041	/nfs/dbraw/zinc/50/50/41/571505041.db2.gz	ZXSIOKUULPFQPW-VGZNNGDKSA-N	0	1	675.804	7.497	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150457825	571505359	/nfs/dbraw/zinc/50/53/59/571505359.db2.gz	NGDBHKLVKGCDLV-LHKMDIPOSA-N	0	1	678.232	7.621	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150458714	571505539	/nfs/dbraw/zinc/50/55/39/571505539.db2.gz	CSMVLPGZCSFUOR-WENCHWOGSA-N	0	1	655.798	7.052	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150459180	571505712	/nfs/dbraw/zinc/50/57/12/571505712.db2.gz	HGKKTZNKTYTPJK-JVJOXMINSA-N	0	1	634.179	7.222	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150461135	571506389	/nfs/dbraw/zinc/50/63/89/571506389.db2.gz	FEIIJYJUZCVHIQ-RIEKNRFYSA-N	0	1	689.831	7.887	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150463357	571507245	/nfs/dbraw/zinc/50/72/45/571507245.db2.gz	ZZKHMJFNQCFEHC-JNYBUSFRSA-N	0	1	647.778	7.498	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000150463845	571507429	/nfs/dbraw/zinc/50/74/29/571507429.db2.gz	FWSCFIOLGYGWHX-HTDBSKDNSA-N	0	1	693.847	8.121	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000150463847	571507532	/nfs/dbraw/zinc/50/75/32/571507532.db2.gz	FWSCFIOLGYGWHX-JOZOHXTNSA-N	0	1	693.847	8.121	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000150467211	571508068	/nfs/dbraw/zinc/50/80/68/571508068.db2.gz	UAMJXCQTGNPPDF-SZYGQJGOSA-N	0	1	695.819	7.569	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000150471603	571509659	/nfs/dbraw/zinc/50/96/59/571509659.db2.gz	ZBTBGLGJEGZDSE-GBIFRDBCSA-N	0	1	710.661	8.050	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000150472711	571510147	/nfs/dbraw/zinc/51/01/47/571510147.db2.gz	JVGWSARPEKHLOS-GMBUILNLSA-N	0	1	628.534	7.226	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000150475832	571510903	/nfs/dbraw/zinc/51/09/03/571510903.db2.gz	LAOGLNRQSDBICE-XXAHXYPMSA-N	0	1	740.731	9.055	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150476324	571510911	/nfs/dbraw/zinc/51/09/11/571510911.db2.gz	HSXAVPDVGAGPRN-HWTUVFLMSA-N	0	1	696.678	8.512	50	30		KKEAMN
CCOC(=O)c1c2c(sc1NC(=O)[C@H](C#N)c1nc3ccccc3nc1N1CCN(C(c3ccccc3)c3ccccc3)CC1)CCCC2	ZINC000150476900	571511034	/nfs/dbraw/zinc/51/10/34/571511034.db2.gz	FLPDOWVDTMXPFT-GDLZYMKVSA-N	0	1	670.839	6.904	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150477249	571511250	/nfs/dbraw/zinc/51/12/50/571511250.db2.gz	QNALETOPSUWILV-QMMFTLRZSA-N	0	1	651.766	7.170	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150478127	571511427	/nfs/dbraw/zinc/51/14/27/571511427.db2.gz	RKCLOGHTGKCVHK-DFXXOVSGSA-N	0	1	680.204	7.069	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000150479741	571511954	/nfs/dbraw/zinc/51/19/54/571511954.db2.gz	AWMGHMIZEHUAPM-TXTDGAROSA-N	0	1	647.750	6.936	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150481334	571512563	/nfs/dbraw/zinc/51/25/63/571512563.db2.gz	ZUPKBPIDNWZANI-DFXXOVSGSA-N	0	1	664.205	7.450	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000150482345	571513134	/nfs/dbraw/zinc/51/31/34/571513134.db2.gz	ZJSODRHOELEOHJ-DFXXOVSGSA-N	0	1	680.204	7.069	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000150482350	571513144	/nfs/dbraw/zinc/51/31/44/571513144.db2.gz	ZJSODRHOELEOHJ-TXTDGAROSA-N	0	1	680.204	7.069	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000150482758	571513427	/nfs/dbraw/zinc/51/34/27/571513427.db2.gz	KUBGYVYEIYHQKD-MUUNZHRXSA-N	0	1	644.149	8.507	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150484749	571515121	/nfs/dbraw/zinc/51/51/21/571515121.db2.gz	BXDWTPNMTWWBIQ-CJJGVWJISA-N	0	1	634.135	6.446	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000150484878	571515486	/nfs/dbraw/zinc/51/54/86/571515486.db2.gz	GKZPVEVDUNHMNT-WGQAXHKASA-N	0	1	644.989	7.740	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000150485501	571515879	/nfs/dbraw/zinc/51/58/79/571515879.db2.gz	VCUUNFCHLULILX-WJOKGBTCSA-N	0	1	704.899	9.377	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150486759	571516443	/nfs/dbraw/zinc/51/64/43/571516443.db2.gz	OFJQFMSNVJIRTN-XXAHXYPMSA-N	0	1	716.668	8.666	50	30		KKEAMN
O=C1NC(=NN=Cc2ccccc2Cl)S/C1=C\c1cc(Br)cc(Br)c1O	ZINC000252606670	572267931	/nfs/dbraw/zinc/26/79/31/572267931.db2.gz	GUHNGVPLBILIEP-DSRWTINISA-N	0	1	515.614	5.165	50	30		KKEAMN
CCOc1cc(-c2nc3ccccn3c2N=Cc2cc(Br)cc(Br)c2O)ccc1O	ZINC000252595363	572266897	/nfs/dbraw/zinc/26/68/97/572266897.db2.gz	CAJHXOCCVUZDGL-UHFFFAOYSA-N	0	1	531.204	6.087	50	30		KKEAMN
Cc1cccc(C)c1N=C1S/C(=C\c2cc(Cl)cc(Br)c2O)C(=O)N1c1c(C)cccc1C	ZINC000252597001	572267031	/nfs/dbraw/zinc/26/70/31/572267031.db2.gz	CNKQRYJQNOUDLX-MABSDVAJSA-N	0	1	541.898	7.850	50	30		KKEAMN
CCOc1cc(Br)c(Br)c(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c1O	ZINC000252596375	572267033	/nfs/dbraw/zinc/26/70/33/572267033.db2.gz	CITDFDZTJHKXCC-UHFFFAOYSA-N	0	1	591.308	5.681	50	30		KKEAMN
CCC1SC(=NN=Cc2c(OS(=O)(=O)c3cc(Br)ccc3Br)ccc3ccccc32)NC1=O	ZINC000252598706	572267165	/nfs/dbraw/zinc/26/71/65/572267165.db2.gz	DCICQSFBACSAGE-IBGZPJMESA-N	0	1	611.337	5.464	50	30		KKEAMN
COc1ccc(Nc2nc(N=NCc3ccc(-c4ccc(Cl)cc4Cl)o3)nc(NCc3ccco3)n2)cc1	ZINC000252612474	572268338	/nfs/dbraw/zinc/26/83/38/572268338.db2.gz	IUDIZWOAUDJQNU-UHFFFAOYSA-N	0	1	550.406	6.842	50	30		KKEAMN
CCCCN(CCCC)c1nc(N=NCc2cc(Br)cc(Br)c2O)nc(Nc2ccc([N+](=O)[O-])cc2)n1	ZINC000252616608	572268748	/nfs/dbraw/zinc/26/87/48/572268748.db2.gz	KBQOVAPEXBWKTR-UHFFFAOYSA-N	0	1	636.349	6.607	50	30		KKEAMN
BrC(=CC=Nc1ccc(-c2nc3ccc(N=CC=C(Br)c4ccccc4)cc3[nH]2)cc1)c1ccccc1	ZINC000252627536	572270790	/nfs/dbraw/zinc/27/07/90/572270790.db2.gz	RWKXMVREAJZDII-WYTHHAIYSA-N	0	1	610.353	9.507	50	30		KKEAMN
CCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=Nc1ccc(C(=O)OC)cc1	ZINC000252634677	572271706	/nfs/dbraw/zinc/27/17/06/572271706.db2.gz	WQLRKOBPAFFREH-IJTBWSOMSA-N	0	1	540.233	5.328	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@@H](Cc3ccccc3)c3ccco3)C1=O)O2	ZINC000253402663	572285568	/nfs/dbraw/zinc/28/55/68/572285568.db2.gz	GOGAFENJKBEXJM-RUEZCYJKSA-N	0	1	541.600	5.168	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@H](Cc3ccccc3)c3ccco3)C1=O)O2	ZINC000253402656	572285571	/nfs/dbraw/zinc/28/55/71/572285571.db2.gz	GOGAFENJKBEXJM-RDJLMJCGSA-N	0	1	541.600	5.168	50	30		KKEAMN
CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)cc1	ZINC000253406876	572286364	/nfs/dbraw/zinc/28/63/64/572286364.db2.gz	JJSVMLBUBJEKGD-DEOSSOPVSA-N	0	1	547.047	7.999	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC3(Cc4nc5ccccc5[nH]4)CCCCC3)C1=O)O2	ZINC000253409323	572287238	/nfs/dbraw/zinc/28/72/38/572287238.db2.gz	LQXFHRCJTTYMMX-CWYWUFEUSA-N	0	1	569.658	5.228	50	30		KKEAMN
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2cccc(-c3n[nH]c(-c4ccccn4)n3)c2)C[C@@H]1C	ZINC000888090360	1071064942	/nfs/dbraw/zinc/06/49/42/1071064942.db2.gz	VBYSTEQOPVRSKO-WNNBVUDTSA-N	0	1	557.994	5.123	50	30		KKEAMN
CCCCCCCC1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3c(C)cc(C)cc3C)c2)NC1=O	ZINC000245285858	1071161857	/nfs/dbraw/zinc/16/18/57/1071161857.db2.gz	ZBBSDJQJNJJCDB-HSZRJFAPSA-N	0	1	515.701	5.662	50	30		KKEAMN
COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1[NH2+][C@H](CC(C)(C)C)[C@@](C#N)(c2ccc(Cl)cc2F)[C@@H]1c1cccc(Cl)c1F	ZINC000213349582	1071202676	/nfs/dbraw/zinc/20/26/76/1071202676.db2.gz	TVTXCJFHQKSQQM-VLVHCFGSSA-N	0	1	616.492	6.939	50	30		KKEAMN
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc(-c3n[nH]c(-c4ccccn4)n3)cc2)C[C@H]1C	ZINC000604404761	1071270656	/nfs/dbraw/zinc/27/06/56/1071270656.db2.gz	KFFCUMFKMZGPDW-HOLBHBGLSA-N	0	1	557.994	5.123	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)Nc3cccc(-c4csc(C)n4)c3)C1=O)O2	ZINC000825317993	1071287515	/nfs/dbraw/zinc/28/75/15/1071287515.db2.gz	FTCSUSNUJMLHQM-PPOGSYTESA-N	0	1	516.575	5.113	50	30		KKEAMN
CCCCCCCCCCC1S/C(=N/N=Cc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)NC1=O	ZINC000245265691	1072830639	/nfs/dbraw/zinc/83/06/39/1072830639.db2.gz	HAJKSKCDZIVCMR-RUZDIDTESA-N	0	1	529.728	6.215	50	30		KKEAMN
C(=NN1CCN(C(c2ccccc2)c2ccccc2)CC1)C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1	ZINC000245267804	1072830780	/nfs/dbraw/zinc/83/07/80/1072830780.db2.gz	MKEZJGOLZRLQFL-YYUYQLJMSA-N	0	1	518.705	5.843	50	30		KKEAMN
CCCCCCCC1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3c(C)cc(C)cc3C)c2)NC1=O	ZINC000245285861	1072831716	/nfs/dbraw/zinc/83/17/16/1072831716.db2.gz	ZBBSDJQJNJJCDB-QHCPKHFHSA-N	0	1	515.701	5.662	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1	ZINC000097999685	1072842109	/nfs/dbraw/zinc/84/21/09/1072842109.db2.gz	UUXIAAGTAHWVRN-KWXDVARASA-N	0	1	621.177	8.874	50	30		KKEAMN
CCN(Cc1ccccc1)c1ccc(C=[NH+][N-]c2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(OC)cc2)cc1	ZINC000254291776	1072844404	/nfs/dbraw/zinc/84/44/04/1072844404.db2.gz	PKUIJOONGSOFID-UHFFFAOYSA-N	0	1	559.648	5.877	50	30		KKEAMN
COc1ccc(NS(=O)(=O)c2cc(C(=O)N=C3N=C4C=CC=CN4Cc4ccccc43)ccc2Cl)cc1	ZINC000254857527	1072885374	/nfs/dbraw/zinc/88/53/74/1072885374.db2.gz	CPSOMQNBGQRYOW-UHFFFAOYSA-N	0	1	533.009	5.034	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3C)[C@@H]2c2ccc(OC)cc2)nc1C	ZINC000000631106	551505018	/nfs/dbraw/zinc/50/50/18/551505018.db2.gz	FNQCZVSDSCBUES-QFIPXVFZSA-N	0	1	536.606	5.127	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(OC)cc2)nc1C	ZINC000000631368	551505124	/nfs/dbraw/zinc/50/51/24/551505124.db2.gz	ORGRCOUWMCHZCD-IBGZPJMESA-N	0	1	512.971	5.073	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000000633325	551505627	/nfs/dbraw/zinc/50/56/27/551505627.db2.gz	UUQDUTKUWVNSJG-XMMPIXPASA-N	0	1	513.575	5.820	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000000702931	551529800	/nfs/dbraw/zinc/52/98/00/551529800.db2.gz	QMQFVLSPXSPSLS-FQEVSTJZSA-N	0	1	527.385	6.490	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000000702934	551529923	/nfs/dbraw/zinc/52/99/23/551529923.db2.gz	VXLQDMURVMMGME-HXUWFJFHSA-N	0	1	537.391	5.946	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000000702998	551530289	/nfs/dbraw/zinc/53/02/89/551530289.db2.gz	RJGNBVHKSRZWFX-GDLZYMKVSA-N	0	1	535.552	6.392	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1	ZINC000000703176	551530650	/nfs/dbraw/zinc/53/06/50/551530650.db2.gz	ONWOSAATKMDHDT-BGOLNKOXSA-N	0	1	562.622	5.771	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000000703173	551530752	/nfs/dbraw/zinc/53/07/52/551530752.db2.gz	BCLDSGAKQICUID-DFXYEROKSA-N	0	1	532.596	5.763	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccc(C)cc4)C3)[C@H]2c2cccnc2)cc(OC)c1OC	ZINC000000718115	551534983	/nfs/dbraw/zinc/53/49/83/551534983.db2.gz	PCEKRTASLDKZSE-GJBXTBEHSA-N	0	1	575.665	6.630	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1	ZINC000000718272	551535255	/nfs/dbraw/zinc/53/52/55/551535255.db2.gz	CLXOGWXCTKHVCL-DLLPINGYSA-N	0	1	508.618	6.420	50	30		KKEAMN
COc1cc(-c2nc3ccccn3c2/N=C/c2cc(Br)cc(Br)c2O)ccc1O	ZINC000000805813	551543432	/nfs/dbraw/zinc/54/34/32/551543432.db2.gz	VCAYMHVHJNBQOD-BHGWPJFGSA-N	0	1	517.177	5.697	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000000986567	551593089	/nfs/dbraw/zinc/59/30/89/551593089.db2.gz	JQCXXEPNSXRKKH-SLGOVJDISA-N	0	1	552.627	5.801	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccnc2)cc1	ZINC000000986544	551593134	/nfs/dbraw/zinc/59/31/34/551593134.db2.gz	DYGSCRGUUAAMON-DLLPINGYSA-N	0	1	501.586	6.305	50	30		KKEAMN
CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000001003445	551596011	/nfs/dbraw/zinc/59/60/11/551596011.db2.gz	WKKKBWRMORZDQH-HMILPKGGSA-N	0	1	501.970	6.559	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000001055452	551600072	/nfs/dbraw/zinc/60/00/72/551600072.db2.gz	UZUHWNUJOCJPJO-IBGZPJMESA-N	0	1	514.719	5.189	50	30		KKEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000001199022	551623060	/nfs/dbraw/zinc/62/30/60/551623060.db2.gz	BTEAKCNBQBUOTB-JOCHJYFZSA-N	0	1	507.340	5.178	50	30		KKEAMN
O=C(C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(I)cc1	ZINC000001237858	551629994	/nfs/dbraw/zinc/62/99/94/551629994.db2.gz	REIARYNNAKRYTP-HZYJKNPPSA-N	0	1	527.387	5.456	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccccc3Cl)C2)cc1	ZINC000001246294	551631716	/nfs/dbraw/zinc/63/17/16/551631716.db2.gz	RODHTOQVGHOHOG-QLXKLKPCSA-N	0	1	526.942	6.812	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccc(F)cc4)C3)[C@H]2c2cccs2)cc(OC)c1OC	ZINC000001249973	551632228	/nfs/dbraw/zinc/63/22/28/551632228.db2.gz	RDRFTBIJDMJKOY-PKHCJMHPSA-N	0	1	584.669	7.127	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000001308590	551639637	/nfs/dbraw/zinc/63/96/37/551639637.db2.gz	QXIONYISBBJWBJ-KWMCUTETSA-N	0	1	582.575	6.184	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000001411043	551664784	/nfs/dbraw/zinc/66/47/84/551664784.db2.gz	DUEUSMJXDJPBIS-NDEPHWFRSA-N	0	1	526.589	5.405	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O	ZINC000001413431	551665498	/nfs/dbraw/zinc/66/54/98/551665498.db2.gz	NQSMLHNNPDUBIM-RUZDIDTESA-N	0	1	547.405	5.466	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(Br)cc1)c1ccc(F)cc1	ZINC000001413451	551665726	/nfs/dbraw/zinc/66/57/26/551665726.db2.gz	HPKZYPKLYZRKMQ-XMMPIXPASA-N	0	1	519.370	5.891	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1	ZINC000001413480	551665804	/nfs/dbraw/zinc/66/58/04/551665804.db2.gz	JLJQKSVRYSBYDQ-VWLOTQADSA-N	0	1	514.965	5.429	50	30		KKEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c1	ZINC000001413479	551665850	/nfs/dbraw/zinc/66/58/50/551665850.db2.gz	PQJBXOUHDPELIS-AREMUKBSSA-N	0	1	516.981	5.660	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1	ZINC000001413482	551665858	/nfs/dbraw/zinc/66/58/58/551665858.db2.gz	WQYZZCNLGWPAQF-SANMLTNESA-N	0	1	500.982	6.041	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O	ZINC000001413520	551666007	/nfs/dbraw/zinc/66/60/07/551666007.db2.gz	VUYKZUPLIVQULV-MHZLTWQESA-N	0	1	512.562	5.102	50	30		KKEAMN
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1O	ZINC000001437520	551671380	/nfs/dbraw/zinc/67/13/80/551671380.db2.gz	DJYXDWKMHGDAOI-YVORESIASA-N	0	1	547.564	5.314	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC	ZINC000001451081	551675682	/nfs/dbraw/zinc/67/56/82/551675682.db2.gz	QQBIHKWFXHYNHC-DEOSSOPVSA-N	0	1	518.591	5.950	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]3c2cccs2)cc1	ZINC000001453812	551676530	/nfs/dbraw/zinc/67/65/30/551676530.db2.gz	FHAAAGBQBBZVLT-GFJKYASSSA-N	0	1	596.705	6.997	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1O[C@@H](C)CC	ZINC000001457484	551677119	/nfs/dbraw/zinc/67/71/19/551677119.db2.gz	OPQAWJZBDQKYQD-SQTTZXIOSA-N	0	1	554.687	7.192	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Br)c2)nc1C	ZINC000001458644	551677366	/nfs/dbraw/zinc/67/73/66/551677366.db2.gz	FZVWIXXDDKNVIQ-QGZVFWFLSA-N	0	1	547.814	5.437	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000001480152	551681532	/nfs/dbraw/zinc/68/15/32/551681532.db2.gz	LBIORWHJBGRFHL-QHCPKHFHSA-N	0	1	536.993	5.758	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)o1	ZINC000001479966	551681589	/nfs/dbraw/zinc/68/15/89/551681589.db2.gz	NOHBGVSDNYXYFL-OAQYLSRUSA-N	0	1	523.408	6.360	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1	ZINC000001480877	551682207	/nfs/dbraw/zinc/68/22/07/551682207.db2.gz	HOMBCLAVUIDHNW-HSZRJFAPSA-N	0	1	534.565	5.634	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc(Br)c1)c1ccc(Br)cc1	ZINC000001481236	551682322	/nfs/dbraw/zinc/68/23/22/551682322.db2.gz	PTAYNRRUSPDBLB-INIZCTEOSA-N	0	1	520.202	5.451	50	30		KKEAMN
C=CC[NH+](CC=C)Cc1c([O-])ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)oc21	ZINC000001770945	551696285	/nfs/dbraw/zinc/69/62/85/551696285.db2.gz	FDPCRJUCHIXQDS-UHFFFAOYSA-N	0	1	507.508	7.151	50	30		KKEAMN
O=[N+]([O-])c1ccc(/C=C/c2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2)cc1	ZINC000001952326	551735399	/nfs/dbraw/zinc/73/53/99/551735399.db2.gz	MQMXYJUNASTDQB-JRXOJCEHSA-N	0	1	502.162	6.746	50	30		KKEAMN
N#Cc1c2c(sc1/N=C/c1cc(Br)cc(Br)c1[O-])C[N@H+](Cc1ccccc1)CC2	ZINC000002186928	551788002	/nfs/dbraw/zinc/78/80/02/551788002.db2.gz	QVBRHRLFFRLVFW-KBKYJPHKSA-N	0	1	531.273	6.159	50	30		KKEAMN
N#Cc1c2c(sc1/N=C/c1cc(Br)cc(Br)c1[O-])C[N@@H+](Cc1ccccc1)CC2	ZINC000002186928	551788004	/nfs/dbraw/zinc/78/80/04/551788004.db2.gz	QVBRHRLFFRLVFW-KBKYJPHKSA-N	0	1	531.273	6.159	50	30		KKEAMN
CCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1	ZINC000002259401	551803767	/nfs/dbraw/zinc/80/37/67/551803767.db2.gz	MKUNYHIAHIKVBM-JBOQNHBVSA-N	0	1	528.649	6.486	50	30		KKEAMN
CCCCCCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc2c1=O	ZINC000003032025	552268181	/nfs/dbraw/zinc/26/81/81/552268181.db2.gz	NXDCCGQAJKQLIK-UHFFFAOYSA-N	0	1	548.503	5.206	50	30		KKEAMN
Cc1c(Cl)c(C)c(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c(O)c1Br	ZINC000003114166	552290161	/nfs/dbraw/zinc/29/01/61/552290161.db2.gz	UGBAQNMXQXYYND-OXUBWTJQSA-N	0	1	524.629	8.291	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1ccc(O)cc1	ZINC000004405004	552459532	/nfs/dbraw/zinc/45/95/32/552459532.db2.gz	ZDIIYOJEXWCIFY-MHZLTWQESA-N	0	1	591.670	7.218	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000005355767	552498882	/nfs/dbraw/zinc/49/88/82/552498882.db2.gz	PQNKSDPCPCKJGW-IBGZPJMESA-N	0	1	531.417	6.026	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000005918999	552511969	/nfs/dbraw/zinc/51/19/69/552511969.db2.gz	PDAYZJYLJWAXEU-HSZRJFAPSA-N	0	1	566.632	5.135	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)c(C)c1	ZINC000005919032	552511974	/nfs/dbraw/zinc/51/19/74/552511974.db2.gz	NDRQCXFLXLLRHD-OAQYLSRUSA-N	0	1	524.570	5.257	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2F)c(C)c1	ZINC000005919120	552512279	/nfs/dbraw/zinc/51/22/79/552512279.db2.gz	NFYUGKOCLDNTME-QFIPXVFZSA-N	0	1	538.597	5.647	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)c(C)c1	ZINC000005919094	552512302	/nfs/dbraw/zinc/51/23/02/552512302.db2.gz	NDRQCXFLXLLRHD-NRFANRHFSA-N	0	1	524.570	5.257	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C	ZINC000005919752	552512450	/nfs/dbraw/zinc/51/24/50/552512450.db2.gz	PULSUVPUEGLVNU-JOCHJYFZSA-N	0	1	553.036	5.938	50	30		KKEAMN
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1	ZINC000006146297	552548024	/nfs/dbraw/zinc/54/80/24/552548024.db2.gz	PXMXLEFDGDFALP-UHFFFAOYSA-N	0	1	586.464	5.313	50	30		KKEAMN
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1	ZINC000006146947	552548672	/nfs/dbraw/zinc/54/86/72/552548672.db2.gz	SAZITVLTWRCPNO-UHFFFAOYSA-N	0	1	506.399	5.916	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1ccc(Cl)cc1	ZINC000008383393	552986484	/nfs/dbraw/zinc/98/64/84/552986484.db2.gz	DJMZFFHPMDLWAK-MHZLTWQESA-N	0	1	610.116	8.166	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000008383730	552987430	/nfs/dbraw/zinc/98/74/30/552987430.db2.gz	CJCDTGJIXYSXPQ-YKGWIAGDSA-N	0	1	554.643	5.103	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	ZINC000008383857	552987687	/nfs/dbraw/zinc/98/76/87/552987687.db2.gz	URSLAVQSKAELDS-AFJIDDCJSA-N	0	1	543.616	5.212	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1O	ZINC000008383977	552988268	/nfs/dbraw/zinc/98/82/68/552988268.db2.gz	MXHGOAZWYOSURR-AREMUKBSSA-N	0	1	599.690	6.772	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3cccs3)s2)cc1	ZINC000008383967	552988275	/nfs/dbraw/zinc/98/82/75/552988275.db2.gz	OEDOEQHUEWENLO-QFIPXVFZSA-N	0	1	545.667	6.729	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(N(C)C)cc3)s2)cc1	ZINC000008384023	552988712	/nfs/dbraw/zinc/98/87/12/552988712.db2.gz	LOHKNIYOWYKEOM-AREMUKBSSA-N	0	1	582.707	6.734	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccccc3F)s2)cc1	ZINC000008384028	552988759	/nfs/dbraw/zinc/98/87/59/552988759.db2.gz	YYJHFDVMNJONQW-XMMPIXPASA-N	0	1	557.628	6.807	50	30		KKEAMN
Cc1ccc2nc(-c3ccc(/N=C/c4cc(I)cc(I)c4O)cc3)sc2c1	ZINC000008398617	552999430	/nfs/dbraw/zinc/99/94/30/552999430.db2.gz	PWGASSSKJKMEBA-BHGWPJFGSA-N	0	1	596.231	6.937	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000008398939	553000080	/nfs/dbraw/zinc/00/00/80/553000080.db2.gz	BOQPLAUTHCGLAV-GPNASLBKSA-N	0	1	545.595	6.818	50	30		KKEAMN
Cc1ccc(Nc2nc(=NN=Cc3ccc(-c4cccc(Cl)c4)o3)nc(N3CCC(Cc4ccccc4)CC3)[nH]2)cc1	ZINC000008407081	553007647	/nfs/dbraw/zinc/00/76/47/553007647.db2.gz	FLRZUSAWITZGMK-FADJLKOXSA-N	0	1	578.120	7.742	50	30		KKEAMN
COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(SCC(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)n2)cc1	ZINC000008416919	553012518	/nfs/dbraw/zinc/01/25/18/553012518.db2.gz	JHTCDFKJOKMMJM-UHFFFAOYSA-N	0	1	622.732	5.926	50	30		KKEAMN
COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)n2)cc1	ZINC000008416923	553012523	/nfs/dbraw/zinc/01/25/23/553012523.db2.gz	XJTALLRFMBFZJO-UHFFFAOYSA-N	0	1	628.658	5.586	50	30		KKEAMN
O=[N+]([O-])c1cc(CN=Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c(Cl)cc1Cl	ZINC000008427610	553020251	/nfs/dbraw/zinc/02/02/51/553020251.db2.gz	PWDMVGJKHVRGIA-LUOAPIJWSA-N	0	1	557.320	5.132	50	30		KKEAMN
CCN(CC)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(F)cc2)cc1	ZINC000008430948	553022240	/nfs/dbraw/zinc/02/22/40/553022240.db2.gz	AXBFOEIDWXCFGK-PMERELPUSA-N	0	1	511.641	7.129	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000008432778	553027154	/nfs/dbraw/zinc/02/71/54/553027154.db2.gz	QFAMGRNVYIOMRZ-UVDDSOTQSA-N	0	1	546.633	8.314	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1	ZINC000008433426	553028833	/nfs/dbraw/zinc/02/88/33/553028833.db2.gz	QPCWALGPIUTLKE-UMSFTDKQSA-N	0	1	582.656	7.540	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000008433428	553028902	/nfs/dbraw/zinc/02/89/02/553028902.db2.gz	XUOOPKKUYXYYJF-NDEPHWFRSA-N	0	1	532.681	5.158	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000008440516	553037842	/nfs/dbraw/zinc/03/78/42/553037842.db2.gz	ZTXAKGRTQNUERN-FQEVSTJZSA-N	0	1	528.428	5.571	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	ZINC000008440645	553038236	/nfs/dbraw/zinc/03/82/36/553038236.db2.gz	PRDNVQXFLDZIEX-HHHXNRCGSA-N	0	1	535.568	5.037	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1	ZINC000008441169	553039746	/nfs/dbraw/zinc/03/97/46/553039746.db2.gz	LWLPAUIRAUZKMA-QHCPKHFHSA-N	0	1	514.559	5.748	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccc(Br)c1	ZINC000008441208	553039770	/nfs/dbraw/zinc/03/97/70/553039770.db2.gz	MBNCAZUTZUXXGG-HSZRJFAPSA-N	0	1	604.507	7.122	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1	ZINC000008441157	553039777	/nfs/dbraw/zinc/03/97/77/553039777.db2.gz	SXIYPSFKPVARNS-XMMPIXPASA-N	0	1	530.602	6.362	50	30		KKEAMN
CN(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000008441261	553040012	/nfs/dbraw/zinc/04/00/12/553040012.db2.gz	ARVSIJGXLAEKBO-VWLOTQADSA-N	0	1	568.680	6.426	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000008441247	553040161	/nfs/dbraw/zinc/04/01/61/553040161.db2.gz	ORCUAOFUEWDEEQ-SANMLTNESA-N	0	1	581.675	6.924	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1O	ZINC000008441228	553040197	/nfs/dbraw/zinc/04/01/97/553040197.db2.gz	CEWZOBCUOPCKPA-RUZDIDTESA-N	0	1	585.663	6.464	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000008441580	553041195	/nfs/dbraw/zinc/04/11/95/553041195.db2.gz	IAMBDTDXHPMRQZ-HHHXNRCGSA-N	0	1	533.577	5.263	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000008441652	553041467	/nfs/dbraw/zinc/04/14/67/553041467.db2.gz	RIJJXMAWOOXCEI-HSZRJFAPSA-N	0	1	535.408	7.441	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1	ZINC000008441765	553042208	/nfs/dbraw/zinc/04/22/08/553042208.db2.gz	OVMYEZKEGRYSKD-PMERELPUSA-N	0	1	515.565	6.790	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000008441761	553042217	/nfs/dbraw/zinc/04/22/17/553042217.db2.gz	SDYOEFBQBPQBQH-GDLZYMKVSA-N	0	1	525.601	6.789	50	30		KKEAMN
Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000008441767	553042229	/nfs/dbraw/zinc/04/22/29/553042229.db2.gz	GCZRIENQFRUBEI-MUUNZHRXSA-N	0	1	589.698	7.821	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(Oc3ccccc3)c2)s1	ZINC000008441812	553042363	/nfs/dbraw/zinc/04/23/63/553042363.db2.gz	OZHJIONCIYXNFC-DEOSSOPVSA-N	0	1	509.543	6.168	50	30		KKEAMN
CCOc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1	ZINC000008444114	553049283	/nfs/dbraw/zinc/04/92/83/553049283.db2.gz	HWUCENKIUWAWJC-GZGVDWRWSA-N	0	1	544.651	7.308	50	30		KKEAMN
CCCOc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1	ZINC000008444109	553049306	/nfs/dbraw/zinc/04/93/06/553049306.db2.gz	MUBHCCUBTAOKDO-JXSYCYSGSA-N	0	1	558.678	7.698	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Br)cc3s2)[C@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000008694693	553120447	/nfs/dbraw/zinc/12/04/47/553120447.db2.gz	AZMDRZOIKIKHJG-FQEVSTJZSA-N	0	1	570.262	6.604	50	30		KKEAMN
CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1	ZINC000008834446	553161067	/nfs/dbraw/zinc/16/10/67/553161067.db2.gz	XWKRMHHCKCOCLK-QFIPXVFZSA-N	0	1	503.647	5.020	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)nc1C	ZINC000008836074	553162790	/nfs/dbraw/zinc/16/27/90/553162790.db2.gz	YNVLOYNXWUTHNM-OAQYLSRUSA-N	0	1	508.571	5.674	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000008836979	553163523	/nfs/dbraw/zinc/16/35/23/553163523.db2.gz	ZTILVJQIJIKHJB-JOCHJYFZSA-N	0	1	518.547	5.166	50	30		KKEAMN
O=[N+]([O-])c1cc(-c2ccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCCC4)n3)o2)ccc1Cl	ZINC000008872394	553173362	/nfs/dbraw/zinc/17/33/62/553173362.db2.gz	UKDYGVWVXJLELG-CVKSISIWSA-N	0	1	504.938	5.483	50	30		KKEAMN
Cc1ccc(Nc2nc(N=NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1	ZINC000008872985	553174673	/nfs/dbraw/zinc/17/46/73/553174673.db2.gz	RDPZBXOELAOBTF-PPOKSSTKSA-N	0	1	588.672	6.997	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2F)cc1	ZINC000008892457	553176745	/nfs/dbraw/zinc/17/67/45/553176745.db2.gz	OFPQCFFONIGVDK-SSEXGKCCSA-N	0	1	512.625	7.461	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000008934726	553192926	/nfs/dbraw/zinc/19/29/26/553192926.db2.gz	FVUHTURHNCUVEY-JOCHJYFZSA-N	0	1	503.511	5.689	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000008973297	553195256	/nfs/dbraw/zinc/19/52/56/553195256.db2.gz	VHJBLIGRVCVMDD-OAQYLSRUSA-N	0	1	511.386	6.395	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000008973891	553195555	/nfs/dbraw/zinc/19/55/55/553195555.db2.gz	MNJZZMLMSKRKET-JOCHJYFZSA-N	0	1	508.958	6.270	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000009007609	553198104	/nfs/dbraw/zinc/19/81/04/553198104.db2.gz	VOXLSTWCAFWPMI-QHCPKHFHSA-N	0	1	520.994	6.140	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000009007836	553198273	/nfs/dbraw/zinc/19/82/73/553198273.db2.gz	QMYNPBTWXPFPNE-JOCHJYFZSA-N	0	1	506.967	5.750	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C	ZINC000009019944	553201098	/nfs/dbraw/zinc/20/10/98/553201098.db2.gz	GUBSBQRJOMKBQO-VWLOTQADSA-N	0	1	501.539	5.112	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)cc2)ccc1OCc1ccccc1	ZINC000009019619	553201235	/nfs/dbraw/zinc/20/12/35/553201235.db2.gz	GEGPSIUWYSXOFF-MUUNZHRXSA-N	0	1	506.558	5.453	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCC(C)C	ZINC000009020087	553201317	/nfs/dbraw/zinc/20/13/17/553201317.db2.gz	ZNLDHJXOJKZDER-MUUNZHRXSA-N	0	1	512.650	6.501	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000009040942	553202084	/nfs/dbraw/zinc/20/20/84/553202084.db2.gz	GQHJIPYBIVURRG-QFIPXVFZSA-N	0	1	504.589	5.714	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000009046050	553203517	/nfs/dbraw/zinc/20/35/17/553203517.db2.gz	YMZZXLVYBKPAKQ-QFIPXVFZSA-N	0	1	508.958	6.270	50	30		KKEAMN
COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2ccc(F)cc2)c1	ZINC000009068328	553206636	/nfs/dbraw/zinc/20/66/36/553206636.db2.gz	ONQFSNCEYQZHNT-BNHRFMORSA-N	0	1	518.588	7.049	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000009086203	553208304	/nfs/dbraw/zinc/20/83/04/553208304.db2.gz	ZHKKDMWXGICBHY-VWLOTQADSA-N	0	1	501.539	5.256	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(F)cc1	ZINC000009109148	553209955	/nfs/dbraw/zinc/20/99/55/553209955.db2.gz	PAVOYJYOSFLOFV-GZGVDWRWSA-N	0	1	538.707	8.604	50	30		KKEAMN
COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000009110856	553210105	/nfs/dbraw/zinc/21/01/05/553210105.db2.gz	HDOFHGKQMCCXGV-OAQYLSRUSA-N	0	1	509.312	5.149	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009123126	553212371	/nfs/dbraw/zinc/21/23/71/553212371.db2.gz	HHEKDULBEZRVQK-JOCHJYFZSA-N	0	1	517.519	5.005	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000009123689	553212577	/nfs/dbraw/zinc/21/25/77/553212577.db2.gz	SLGPIHUOXWEWRG-OAQYLSRUSA-N	0	1	511.386	6.395	50	30		KKEAMN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009173991	553215901	/nfs/dbraw/zinc/21/59/01/553215901.db2.gz	UTLWXBHSWBFLEU-JOCHJYFZSA-N	0	1	506.898	5.208	50	30		KKEAMN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009173999	553216054	/nfs/dbraw/zinc/21/60/54/553216054.db2.gz	UTLWXBHSWBFLEU-QFIPXVFZSA-N	0	1	506.898	5.208	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000009185131	553216993	/nfs/dbraw/zinc/21/69/93/553216993.db2.gz	MAWVTPXXPIUPOD-QFIPXVFZSA-N	0	1	502.523	5.313	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)c1	ZINC000009187427	553218074	/nfs/dbraw/zinc/21/80/74/553218074.db2.gz	NVNHBNVFVLLXMA-MHZLTWQESA-N	0	1	514.578	5.200	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccc3OC)sc2c1	ZINC000009234531	553224926	/nfs/dbraw/zinc/22/49/26/553224926.db2.gz	HYCCZEJCHMLZRF-QHCPKHFHSA-N	0	1	520.994	6.140	50	30		KKEAMN
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000009244163	553227014	/nfs/dbraw/zinc/22/70/14/553227014.db2.gz	ICBAARIKSIAFQI-MHZLTWQESA-N	0	1	500.595	5.406	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1cccnc1)c1ccccc1	ZINC000009243815	553227128	/nfs/dbraw/zinc/22/71/28/553227128.db2.gz	PXUUPWJANFPSLX-HXUWFJFHSA-N	0	1	504.568	5.147	50	30		KKEAMN
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000009244164	553227133	/nfs/dbraw/zinc/22/71/33/553227133.db2.gz	ICBAARIKSIAFQI-HHHXNRCGSA-N	0	1	500.595	5.406	50	30		KKEAMN
O=C(c1ccccc1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009246703	553227308	/nfs/dbraw/zinc/22/73/08/553227308.db2.gz	WGVUHSVAFYEZBA-XJFCNFDWSA-N	0	1	515.569	6.809	50	30		KKEAMN
Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009264251	553228791	/nfs/dbraw/zinc/22/87/91/553228791.db2.gz	MYPYBFFKDKTOND-URAOTHONSA-N	0	1	524.020	7.848	50	30		KKEAMN
COc1ccccc1[C@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)NCc1ccco1	ZINC000009264345	553229068	/nfs/dbraw/zinc/22/90/68/553229068.db2.gz	YRAUWFPXWWNXML-XBBWARJSSA-N	0	1	509.562	6.165	50	30		KKEAMN
COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)Nc1ccccc1	ZINC000009264336	553229126	/nfs/dbraw/zinc/22/91/26/553229126.db2.gz	INDBITLVUBZOOY-PRAQEBQASA-N	0	1	505.574	6.894	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCC)cc2)cc1C	ZINC000009272897	553232061	/nfs/dbraw/zinc/23/20/61/553232061.db2.gz	HLXOIFJREAYXOJ-HHHXNRCGSA-N	0	1	500.595	5.746	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2ccc(F)cc2)cc1	ZINC000009273053	553232088	/nfs/dbraw/zinc/23/20/88/553232088.db2.gz	AHEMWIXKWGLZNO-WXTAPIANSA-N	0	1	510.487	6.297	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)ccc1OCCC(C)C	ZINC000009290667	553234450	/nfs/dbraw/zinc/23/44/50/553234450.db2.gz	OUTUAEUVFBLWMM-NGOKVRLYSA-N	0	1	537.653	5.448	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1	ZINC000009291422	553234589	/nfs/dbraw/zinc/23/45/89/553234589.db2.gz	KBFQKSHIIIIFQA-PIIWDFAUSA-N	0	1	512.606	5.753	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl	ZINC000009292775	553235109	/nfs/dbraw/zinc/23/51/09/553235109.db2.gz	PJAAOLIYZNVFIQ-DEOSSOPVSA-N	0	1	508.018	5.511	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)cc1	ZINC000009292441	553235122	/nfs/dbraw/zinc/23/51/22/553235122.db2.gz	YMLUIJLESPLTOD-GDLZYMKVSA-N	0	1	522.601	6.012	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000009292830	553235291	/nfs/dbraw/zinc/23/52/91/553235291.db2.gz	PXDNLJQCWHHTAZ-WHLCRQNOSA-N	0	1	526.589	5.147	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000009302185	553236435	/nfs/dbraw/zinc/23/64/35/553236435.db2.gz	KBMWURUEDLTKHI-OAQYLSRUSA-N	0	1	505.483	5.135	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000009302129	553236439	/nfs/dbraw/zinc/23/64/39/553236439.db2.gz	REFBCNZLLMWWFR-HSZRJFAPSA-N	0	1	504.514	5.922	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000009312552	553240429	/nfs/dbraw/zinc/24/04/29/553240429.db2.gz	KZRRNYMPRMYZMZ-KCWXNJEJSA-N	0	1	511.618	6.010	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)nc1C	ZINC000009339558	553243476	/nfs/dbraw/zinc/24/34/76/553243476.db2.gz	FKWFYUWAFAVQOD-SFHVURJKSA-N	0	1	500.935	5.204	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000009354475	553246013	/nfs/dbraw/zinc/24/60/13/553246013.db2.gz	WKVXBMVLYYIAKU-CLYVBNDRSA-N	0	1	515.562	5.345	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000009356576	553246586	/nfs/dbraw/zinc/24/65/86/553246586.db2.gz	WITAMLLUPQRFHI-NDEPHWFRSA-N	0	1	529.589	5.076	50	30		KKEAMN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc(F)c2)cc1	ZINC000009357211	553246908	/nfs/dbraw/zinc/24/69/08/553246908.db2.gz	PXFLDFFHZYJPMO-UKJJDJLKSA-N	0	1	502.589	7.349	50	30		KKEAMN
COc1cc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC	ZINC000009357660	553247021	/nfs/dbraw/zinc/24/70/21/553247021.db2.gz	UPNKLMYBXKPODX-JRPXNJEYSA-N	0	1	524.617	6.023	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000009359973	553248246	/nfs/dbraw/zinc/24/82/46/553248246.db2.gz	RFPRMVCLFHDUFW-KMRXNPHXSA-N	0	1	529.637	5.300	50	30		KKEAMN
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009360257	553248298	/nfs/dbraw/zinc/24/82/98/553248298.db2.gz	JXKZOSBVCOHYIA-HSZRJFAPSA-N	0	1	507.384	5.410	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000009370854	553250070	/nfs/dbraw/zinc/25/00/70/553250070.db2.gz	HLJFWCUZZDAZEI-AREMUKBSSA-N	0	1	502.567	5.060	50	30		KKEAMN
O=C(c1cccs1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccc(O)cc1	ZINC000009373841	553250753	/nfs/dbraw/zinc/25/07/53/553250753.db2.gz	YHIDIAMJVYLXOV-IBGZPJMESA-N	0	1	507.618	5.380	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(Br)cc1	ZINC000009379813	553251595	/nfs/dbraw/zinc/25/15/95/553251595.db2.gz	JVWGYHAAWVAVLB-HSZRJFAPSA-N	0	1	516.432	5.407	50	30		KKEAMN
Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@@H]3c3ccco3)C2)cc1	ZINC000009380031	553251602	/nfs/dbraw/zinc/25/16/02/553251602.db2.gz	AIVMBCMRMFQMRC-CAOVUWFBSA-N	0	1	500.598	7.202	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OCCC)c(OC)c1	ZINC000009380746	553251939	/nfs/dbraw/zinc/25/19/39/553251939.db2.gz	NQMJUFKEYGJLAL-PMERELPUSA-N	0	1	504.671	7.207	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000009425162	553259334	/nfs/dbraw/zinc/25/93/34/553259334.db2.gz	UIQKXSZJTDGOCE-GDLZYMKVSA-N	0	1	520.585	5.756	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(O)c2)cc1	ZINC000009425209	553259349	/nfs/dbraw/zinc/25/93/49/553259349.db2.gz	WTKBTVNZDPIQOY-NDEPHWFRSA-N	0	1	506.558	5.453	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccncc1	ZINC000009451906	553265991	/nfs/dbraw/zinc/26/59/91/553265991.db2.gz	SQSIWWYVUHKRLQ-JQJBXXCASA-N	0	1	521.705	7.860	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000009453785	553266098	/nfs/dbraw/zinc/26/60/98/553266098.db2.gz	YXILWLUQUMWMQM-GDLZYMKVSA-N	0	1	527.617	5.848	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000009455081	553266322	/nfs/dbraw/zinc/26/63/22/553266322.db2.gz	UVJMEZNUZULDEJ-CPJLOUKISA-N	0	1	508.401	6.138	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000009457941	553266545	/nfs/dbraw/zinc/26/65/45/553266545.db2.gz	CKKRNRARBDYHMZ-MUUNZHRXSA-N	0	1	529.589	5.424	50	30		KKEAMN
O=C(N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl)C(F)(F)F	ZINC000009459482	553266687	/nfs/dbraw/zinc/26/66/87/553266687.db2.gz	CEDWHZRMMVNNTQ-CPJLOUKISA-N	0	1	514.906	6.942	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(F)cc3)cc2)c1	ZINC000009463448	553268868	/nfs/dbraw/zinc/26/88/68/553268868.db2.gz	PHJKDSHAOSSRPR-NDEPHWFRSA-N	0	1	525.580	5.578	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(F)cc3)cc2)c1	ZINC000009463626	553269132	/nfs/dbraw/zinc/26/91/32/553269132.db2.gz	WXNXDQNVKMUPCX-DEOSSOPVSA-N	0	1	500.551	5.953	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(F)cc3)cc2)c1	ZINC000009463525	553269140	/nfs/dbraw/zinc/26/91/40/553269140.db2.gz	OIIYWLPSTBOIBJ-MUUNZHRXSA-N	0	1	508.549	5.887	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000009463723	553269144	/nfs/dbraw/zinc/26/91/44/553269144.db2.gz	YDMCTSPCXNQGIE-NDEPHWFRSA-N	0	1	527.573	5.200	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000009470982	553269786	/nfs/dbraw/zinc/26/97/86/553269786.db2.gz	CMBBNRODGYNAHE-HHHXNRCGSA-N	0	1	515.562	5.034	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)cc2)cc1	ZINC000009470814	553269810	/nfs/dbraw/zinc/26/98/10/553269810.db2.gz	RZFFOAIMZSGWDT-NDEPHWFRSA-N	0	1	506.558	5.453	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000009477408	553272402	/nfs/dbraw/zinc/27/24/02/553272402.db2.gz	HQPFCDMDTZXJNC-GDLZYMKVSA-N	0	1	520.585	5.756	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(O)cc3)cc2)c1	ZINC000009508036	553275995	/nfs/dbraw/zinc/27/59/95/553275995.db2.gz	YBXGDPWFRBTFPY-NDEPHWFRSA-N	0	1	506.558	5.453	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(O)cc3)cc2)c1	ZINC000009508035	553276036	/nfs/dbraw/zinc/27/60/36/553276036.db2.gz	YBXGDPWFRBTFPY-MUUNZHRXSA-N	0	1	506.558	5.453	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)c(C)c1	ZINC000009994300	553324605	/nfs/dbraw/zinc/32/46/05/553324605.db2.gz	KVIZZCAOKQSNHJ-NDEPHWFRSA-N	0	1	520.670	5.208	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)c(C)c1	ZINC000009994537	553324847	/nfs/dbraw/zinc/32/48/47/553324847.db2.gz	PRCZXUPWFWUYGJ-DEOSSOPVSA-N	0	1	519.395	5.496	50	30		KKEAMN
O=C(C1CCCCC1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000012652263	553409735	/nfs/dbraw/zinc/40/97/35/553409735.db2.gz	HVSKWFHAESDUSP-LGGPFLRQSA-N	0	1	501.026	7.414	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2c2ccc(C#N)c(Cl)c2)cc1	ZINC000013129387	553450593	/nfs/dbraw/zinc/45/05/93/553450593.db2.gz	AXJJRCXAHWKWRN-QFIPXVFZSA-N	0	1	507.329	5.435	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C(C)C)cc1	ZINC000013548359	553470035	/nfs/dbraw/zinc/47/00/35/553470035.db2.gz	XZEZXDRNFVFCSB-LJAQVGFWSA-N	0	1	513.634	6.312	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(Cl)c1	ZINC000013571556	553473871	/nfs/dbraw/zinc/47/38/71/553473871.db2.gz	UMRQLEOYDDRIDF-SANMLTNESA-N	0	1	505.998	5.842	50	30		KKEAMN
Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000013571433	553473881	/nfs/dbraw/zinc/47/38/81/553473881.db2.gz	PFNTXYADKVOKBK-GDLZYMKVSA-N	0	1	521.617	5.748	50	30		KKEAMN
COc1cc(C=NN=c2[nH]c3ccccc3s2)cc(I)c1OCc1ccccc1	ZINC000016195738	553556669	/nfs/dbraw/zinc/55/66/69/553556669.db2.gz	IZTAPZSEAABGJJ-ZMOGYAJESA-N	0	1	515.376	5.935	50	30		KKEAMN
O=C(c1cccc2ccccc21)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccccc1	ZINC000016478237	553565845	/nfs/dbraw/zinc/56/58/45/553565845.db2.gz	XNQHANOJPICOGL-GJBXTBEHSA-N	0	1	510.593	7.647	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000016729875	553575961	/nfs/dbraw/zinc/57/59/61/553575961.db2.gz	LYIQGLQVQNPWEY-NRFANRHFSA-N	0	1	524.570	5.339	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000016729897	553576071	/nfs/dbraw/zinc/57/60/71/553576071.db2.gz	UCDSTHJBBOJQSA-UFHPHHKVSA-N	0	1	537.653	5.666	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCCCC)c(OC)c2)cc1	ZINC000016730027	553576324	/nfs/dbraw/zinc/57/63/24/553576324.db2.gz	IALZFGZBKJIVTJ-NDEPHWFRSA-N	0	1	533.621	6.425	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(F)c2)cc1	ZINC000016730269	553576484	/nfs/dbraw/zinc/57/64/84/553576484.db2.gz	BMQCETMJVAMGAN-NRFANRHFSA-N	0	1	524.570	5.339	50	30		KKEAMN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F	ZINC000016731440	553577119	/nfs/dbraw/zinc/57/71/19/553577119.db2.gz	BICNSWQYZTYQEQ-NDEPHWFRSA-N	0	1	525.580	5.578	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F	ZINC000016731211	553577141	/nfs/dbraw/zinc/57/71/41/553577141.db2.gz	AXAAQKKDUDQNFA-NDEPHWFRSA-N	0	1	524.548	5.587	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1OC	ZINC000016737066	553579088	/nfs/dbraw/zinc/57/90/88/553579088.db2.gz	OQCPEXGMTOOZTD-MUUNZHRXSA-N	0	1	525.557	5.654	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCC)c(OCC)c2)cc1	ZINC000016737249	553579233	/nfs/dbraw/zinc/57/92/33/553579233.db2.gz	HLMXQXXTTFJPJX-NDEPHWFRSA-N	0	1	530.621	5.836	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F	ZINC000016741270	553579719	/nfs/dbraw/zinc/57/97/19/553579719.db2.gz	MCHLAJUFQGKVPJ-XMMPIXPASA-N	0	1	500.551	5.953	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccncc3)s2)cc1	ZINC000016749907	553580716	/nfs/dbraw/zinc/58/07/16/553580716.db2.gz	KPCHFQAKDVFUQS-OAQYLSRUSA-N	0	1	518.595	5.456	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000016805387	553582829	/nfs/dbraw/zinc/58/28/29/553582829.db2.gz	LBZQONRAOMYBRJ-FQEVSTJZSA-N	0	1	510.518	5.164	50	30		KKEAMN
COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc1COc1ccc(F)cc1	ZINC000016946050	553584558	/nfs/dbraw/zinc/58/45/58/553584558.db2.gz	CWVZIDPAWPDPDX-SSEXGKCCSA-N	0	1	514.597	6.576	50	30		KKEAMN
CCCCCCCCCCCCCCCCSC[C@H](COC)CO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000017654916	553599030	/nfs/dbraw/zinc/59/90/30/553599030.db2.gz	ODEDPKNSRBCSDO-AREMUKBSSA-O	0	1	526.785	7.303	50	30	in-man	KKEAMN
CC[C@H](C)Oc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(C)=O	ZINC000070673574	553603647	/nfs/dbraw/zinc/60/36/47/553603647.db2.gz	BWKVHCZHZKCQPZ-XWNKHFJGSA-N	0	1	540.660	6.802	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(C)C)[C@H]3c2ccc(F)cc2)cc1OC	ZINC000018116338	553604732	/nfs/dbraw/zinc/60/47/32/553604732.db2.gz	VWPJLJBEVRWZLJ-JRPXNJEYSA-N	0	1	514.597	6.400	50	30		KKEAMN
Cc1ccc2c(c1)N(C(=O)c1cccs1)[C@@H](c1ccc(F)cc1)C1C(=O)C[C@@H](c3ccccc3)CC1=N2	ZINC000018116073	553604749	/nfs/dbraw/zinc/60/47/49/553604749.db2.gz	OTKRUQXKDGIMET-CHJDUVSTSA-N	0	1	508.618	7.410	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccco1	ZINC000018137564	553605697	/nfs/dbraw/zinc/60/56/97/553605697.db2.gz	JSUPHSLJZOSFQO-UDNBHOFDSA-N	0	1	510.678	8.058	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccc(Cl)cc2)cc1OC	ZINC000018172532	553607229	/nfs/dbraw/zinc/60/72/29/553607229.db2.gz	AVAHFWFFLUFJHE-WRONEBCDSA-N	0	1	502.998	6.278	50	30		KKEAMN
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3[C@@H]3O[C@]312	ZINC000070687698	553607254	/nfs/dbraw/zinc/60/72/54/553607254.db2.gz	HRHAUIBJENZANL-CPMHLSNSSA-N	0	1	535.128	5.572	50	30	biogenic	KKEAMN
N#Cc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1	ZINC000018254432	553611543	/nfs/dbraw/zinc/61/15/43/553611543.db2.gz	SNIBPKOEDAGUPW-YKGWIAGDSA-N	0	1	519.601	6.973	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(F)c1	ZINC000018250750	553611637	/nfs/dbraw/zinc/61/16/37/553611637.db2.gz	BYKKQESTNQHJKV-JPQMRUPTSA-N	0	1	512.625	7.315	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000018325056	553612210	/nfs/dbraw/zinc/61/22/10/553612210.db2.gz	WDGYXGDEIGGBHT-UKPGIYTDSA-N	0	1	514.622	6.778	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1C	ZINC000019938383	553637707	/nfs/dbraw/zinc/63/77/07/553637707.db2.gz	IZFJOIFYFYTPMJ-GDLZYMKVSA-N	0	1	526.633	5.279	50	30		KKEAMN
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000020057887	553671411	/nfs/dbraw/zinc/67/14/11/553671411.db2.gz	SGSDZMYHBJYNEL-SSEXGKCCSA-N	0	1	520.080	6.795	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)OC3CCCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O	ZINC000095201998	553700788	/nfs/dbraw/zinc/70/07/88/553700788.db2.gz	AHEYHUBOBSDHSD-XMMPIXPASA-N	0	1	512.603	5.569	50	30		KKEAMN
N=C(Cc1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1)NOC(=O)c1ccc(OC(F)(F)F)cc1	ZINC000095703735	553709016	/nfs/dbraw/zinc/70/90/16/553709016.db2.gz	AGIYVCDDVGZAFR-UHFFFAOYSA-N	0	1	547.839	5.903	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Br)c2)cc1	ZINC000096101693	553724305	/nfs/dbraw/zinc/72/43/05/553724305.db2.gz	JIOHXACECLISJQ-QHCPKHFHSA-N	0	1	524.415	5.103	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097940008	553763314	/nfs/dbraw/zinc/76/33/14/553763314.db2.gz	NDCFZRYTJPPKGU-VKGTZQKMSA-N	0	1	590.654	5.744	50	30		KKEAMN
CCOc1ccc(/N=C2/c3ccccc3N(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1	ZINC000022945530	553768447	/nfs/dbraw/zinc/76/84/47/553768447.db2.gz	QPMINANCYFBMAT-JCUPVDEDSA-N	0	1	530.672	5.917	50	30		KKEAMN
COc1cccc([C@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)c1	ZINC000097945710	553774123	/nfs/dbraw/zinc/77/41/23/553774123.db2.gz	WQGIJKUYLBKJIX-QNLPTKCRSA-N	0	1	535.043	7.563	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@H]3c2cccs2)cc1	ZINC000097946027	553776100	/nfs/dbraw/zinc/77/61/00/553776100.db2.gz	FAKLVZSYEGABCR-JRPXNJEYSA-N	0	1	541.072	7.625	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000024117255	553789145	/nfs/dbraw/zinc/78/91/45/553789145.db2.gz	YMGUFNWILYJWNI-MUUNZHRXSA-N	0	1	512.606	5.492	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000024117255	553789148	/nfs/dbraw/zinc/78/91/48/553789148.db2.gz	YMGUFNWILYJWNI-MUUNZHRXSA-N	0	1	512.606	5.492	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000024117250	553789192	/nfs/dbraw/zinc/78/91/92/553789192.db2.gz	YMGUFNWILYJWNI-NDEPHWFRSA-N	0	1	512.606	5.492	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000024117250	553789193	/nfs/dbraw/zinc/78/91/93/553789193.db2.gz	YMGUFNWILYJWNI-NDEPHWFRSA-N	0	1	512.606	5.492	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@H]3c3ccccc3Cl)C2)cc1	ZINC000097948403	553793599	/nfs/dbraw/zinc/79/35/99/553793599.db2.gz	FKDDPJNBUHNRRE-ICACTRECSA-N	0	1	567.154	8.913	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@@H]3c3ccccc3Cl)C2)cc1	ZINC000097948404	553793607	/nfs/dbraw/zinc/79/36/07/553793607.db2.gz	FKDDPJNBUHNRRE-APYJYERMSA-N	0	1	567.154	8.913	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cc(OC)c(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000097948767	553796588	/nfs/dbraw/zinc/79/65/88/553796588.db2.gz	XHJQJUASFJJLER-AYLZSAKASA-N	0	1	602.684	6.049	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CSc2nc4ccccc4s2)[C@H]3c2cccs2)cc1	ZINC000097948877	553797399	/nfs/dbraw/zinc/79/73/99/553797399.db2.gz	GSRZBVWUZNNIHW-MNAQKMTRSA-N	0	1	609.798	8.059	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1	ZINC000097951675	553810583	/nfs/dbraw/zinc/81/05/83/553810583.db2.gz	WQQFUUGCAOKPIB-HXUWFJFHSA-N	0	1	536.731	6.904	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000097951708	553810820	/nfs/dbraw/zinc/81/08/20/553810820.db2.gz	SOYAERNJCCXLDV-HKBQPEDESA-N	0	1	549.752	8.460	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000097951707	553810873	/nfs/dbraw/zinc/81/08/73/553810873.db2.gz	SOYAERNJCCXLDV-WJOKGBTCSA-N	0	1	549.752	8.460	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000097952210	553813871	/nfs/dbraw/zinc/81/38/71/553813871.db2.gz	BCQHHVRTVGSKDP-DEOSSOPVSA-N	0	1	527.558	5.722	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(N(C)C)cc3)cc2)c1	ZINC000097952491	553816271	/nfs/dbraw/zinc/81/62/71/553816271.db2.gz	MJCPAUYBZBEOCZ-SSEXGKCCSA-N	0	1	533.628	5.814	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000097952602	553817147	/nfs/dbraw/zinc/81/71/47/553817147.db2.gz	XBQSTCWTMSZQDB-HHHXNRCGSA-N	0	1	524.529	5.854	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097953004	553818427	/nfs/dbraw/zinc/81/84/27/553818427.db2.gz	YEYAGTXSOGQJME-LJAQVGFWSA-N	0	1	543.616	5.466	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000097952992	553818454	/nfs/dbraw/zinc/81/84/54/553818454.db2.gz	XKAMXTAFKOLHOE-QHCPKHFHSA-N	0	1	534.977	5.512	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000097954017	553820608	/nfs/dbraw/zinc/82/06/08/553820608.db2.gz	WMDAWCCLWSZCIF-ACSYHNTCSA-N	0	1	542.632	5.761	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000097954064	553821017	/nfs/dbraw/zinc/82/10/17/553821017.db2.gz	ZCZRDCYTIIOVLA-JRPXNJEYSA-N	0	1	541.644	6.222	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000097955003	553827178	/nfs/dbraw/zinc/82/71/78/553827178.db2.gz	MLVBCRBASZHZIA-PIIWDFAUSA-N	0	1	545.636	5.063	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097955058	553827832	/nfs/dbraw/zinc/82/78/32/553827832.db2.gz	COHFWDCMQFYUEK-JCQPUDPBSA-N	0	1	537.424	6.709	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O	ZINC000097955054	553827862	/nfs/dbraw/zinc/82/78/62/553827862.db2.gz	OUFQQDVSJKWBMO-YEBMWUKDSA-N	0	1	549.004	5.770	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O	ZINC000097955055	553828058	/nfs/dbraw/zinc/82/80/58/553828058.db2.gz	OUFQQDVSJKWBMO-RKNYENMMSA-N	0	1	549.004	5.770	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000097955144	553829106	/nfs/dbraw/zinc/82/91/06/553829106.db2.gz	QUUDKXHWTWMLFU-ASSNKEHSSA-N	0	1	539.009	5.388	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000097955188	553829372	/nfs/dbraw/zinc/82/93/72/553829372.db2.gz	BLHXTJOJBYSLCF-PWECECGKSA-N	0	1	576.602	5.568	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000097955579	553831513	/nfs/dbraw/zinc/83/15/13/553831513.db2.gz	SBDGKARZIVDEJT-CHJDUVSTSA-N	0	1	549.627	5.454	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000097955582	553831711	/nfs/dbraw/zinc/83/17/11/553831711.db2.gz	HDNDGWQOVSGFGA-SHACYNPGSA-N	0	1	544.560	5.328	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2F)nc1C	ZINC000097955739	553833575	/nfs/dbraw/zinc/83/35/75/553833575.db2.gz	UPOYRDYLGPRMFH-FPTDNZKUSA-N	0	1	534.565	5.040	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2nccs2)cc(Br)c1O	ZINC000027662440	553836179	/nfs/dbraw/zinc/83/61/79/553836179.db2.gz	IERPDQFZFPZHBQ-SFHVURJKSA-N	0	1	515.385	5.020	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000097956684	553840741	/nfs/dbraw/zinc/84/07/41/553840741.db2.gz	SRKJITHEVDWILF-JBEBIEQOSA-N	0	1	543.557	5.319	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000097956782	553841885	/nfs/dbraw/zinc/84/18/85/553841885.db2.gz	NTXBNJNJSYHNIM-RUZDIDTESA-N	0	1	570.623	6.130	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000097956825	553842120	/nfs/dbraw/zinc/84/21/20/553842120.db2.gz	VETQKCVQEQHDMR-FQEVSTJZSA-N	0	1	526.998	5.382	50	30		KKEAMN
Cc1cc(OCCOc2c(Cl)cc(Cl)cc2CN=Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1Cl	ZINC000097957803	553848365	/nfs/dbraw/zinc/84/83/65/553848365.db2.gz	DNLSSXONZDYNMU-KCSSXMTESA-N	0	1	621.953	5.322	50	30		KKEAMN
Clc1cc(Cl)c(OCc2ccccc2Cl)c(CN=Nc2cc(N3CCCC3)nc(N3CCCC3)n2)c1	ZINC000097959434	553863591	/nfs/dbraw/zinc/86/35/91/553863591.db2.gz	JHTQUVBVUXWYRT-OKCVXOCRSA-N	0	1	545.902	6.662	50	30		KKEAMN
C=CCc1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl	ZINC000097960918	553874380	/nfs/dbraw/zinc/87/43/80/553874380.db2.gz	AZCKAXLTSWFKAM-WSDLNYQXSA-N	0	1	571.457	7.120	50	30		KKEAMN
O=C(Nc1ccccc1)C(=O)Nc1c(Cl)ncnc1Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1	ZINC000097965397	553904519	/nfs/dbraw/zinc/90/45/19/553904519.db2.gz	DLCJJXSTEKHYSJ-XKJRVUDJSA-N	0	1	555.809	6.214	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Br)cc1	ZINC000097966743	553909931	/nfs/dbraw/zinc/90/99/31/553909931.db2.gz	IKUGMHWMCTWTHB-SANMLTNESA-N	0	1	571.512	5.093	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C	ZINC000097966931	553911894	/nfs/dbraw/zinc/91/18/94/553911894.db2.gz	PCVRJMHWZSIMSM-JGCGQSQUSA-N	0	1	584.713	6.123	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000097966911	553911957	/nfs/dbraw/zinc/91/19/57/553911957.db2.gz	KKOGUFSYQHZRAV-OAQYLSRUSA-N	0	1	555.837	6.504	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCOC)cc1OC	ZINC000097966969	553912377	/nfs/dbraw/zinc/91/23/77/553912377.db2.gz	OBPUFAPSYROPSV-GDLZYMKVSA-N	0	1	545.632	5.596	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000097967152	553914432	/nfs/dbraw/zinc/91/44/32/553914432.db2.gz	XREWXWSKDPLTJJ-NDEPHWFRSA-N	0	1	561.631	5.215	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1OCC	ZINC000097967204	553915322	/nfs/dbraw/zinc/91/53/22/553915322.db2.gz	PFNXADBMZQSIJS-SLGOVJDISA-N	0	1	592.733	5.278	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1	ZINC000097967224	553915340	/nfs/dbraw/zinc/91/53/40/553915340.db2.gz	GMNSEKBCGPBUBL-SSEXGKCCSA-N	0	1	661.519	10.271	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000097967219	553915416	/nfs/dbraw/zinc/91/54/16/553915416.db2.gz	NULXDRBPBRHLMK-WYOOIXGGSA-N	0	1	575.661	6.419	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC	ZINC000097967244	553915855	/nfs/dbraw/zinc/91/58/55/553915855.db2.gz	NKPWOKYVJKSXCO-NDEPHWFRSA-N	0	1	628.703	6.316	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000097967277	553916355	/nfs/dbraw/zinc/91/63/55/553916355.db2.gz	UGGMAUWYQQHSKB-PWECECGKSA-N	0	1	581.477	7.108	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000097967275	553916416	/nfs/dbraw/zinc/91/64/16/553916416.db2.gz	UGGMAUWYQQHSKB-HWRSSNJWSA-N	0	1	581.477	7.108	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000097967445	553918405	/nfs/dbraw/zinc/91/84/05/553918405.db2.gz	GAAUQLCHNSTAKL-CRICUBBOSA-N	0	1	599.690	5.723	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000097967459	553918857	/nfs/dbraw/zinc/91/88/57/553918857.db2.gz	MQESVKOEYRUUEX-JGCGQSQUSA-N	0	1	579.778	8.469	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000097967517	553919770	/nfs/dbraw/zinc/91/97/70/553919770.db2.gz	CNEKSWZMLWGKAY-PMERELPUSA-N	0	1	572.617	10.053	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000097967541	553919826	/nfs/dbraw/zinc/91/98/26/553919826.db2.gz	HISILXPXQOTWLV-PRAQEBQASA-N	0	1	692.259	8.168	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097967557	553920116	/nfs/dbraw/zinc/92/01/16/553920116.db2.gz	OTNJAPKMFWJVKA-OYLFLEFRSA-N	0	1	610.544	7.244	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000097967579	553920620	/nfs/dbraw/zinc/92/06/20/553920620.db2.gz	XQHJSVUEZFVOCF-HSZRJFAPSA-N	0	1	579.428	5.622	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000097967656	553921460	/nfs/dbraw/zinc/92/14/60/553921460.db2.gz	LDSHWEMHPXUUEP-MUUNZHRXSA-N	0	1	597.048	7.296	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1	ZINC000097967688	553921760	/nfs/dbraw/zinc/92/17/60/553921760.db2.gz	DHPUARWSFKWTAH-GELPCWRISA-N	0	1	741.891	9.068	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1	ZINC000097967714	553922191	/nfs/dbraw/zinc/92/21/91/553922191.db2.gz	IVAWWMRPLKQKHB-CBZJRKILSA-N	0	1	569.639	5.540	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097967723	553922261	/nfs/dbraw/zinc/92/22/61/553922261.db2.gz	SEAMEGNRXCRTEQ-BGOLNKOXSA-N	0	1	682.223	8.169	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000097967785	553922978	/nfs/dbraw/zinc/92/29/78/553922978.db2.gz	JEASGVFSLTVXFZ-JBEBIEQOSA-N	0	1	577.456	6.174	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccnc2)nc1C	ZINC000097967768	553923190	/nfs/dbraw/zinc/92/31/90/553923190.db2.gz	FTASXGOZOJOBOQ-DEOSSOPVSA-N	0	1	555.612	5.303	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C	ZINC000097967810	553923553	/nfs/dbraw/zinc/92/35/53/553923553.db2.gz	NJEQMFHQUVQSEO-LBEKAKSKSA-N	0	1	619.139	7.490	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000097967885	553924413	/nfs/dbraw/zinc/92/44/13/553924413.db2.gz	BDZGZRFQZVAHME-OWJWWREXSA-N	0	1	594.089	6.729	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C	ZINC000097967861	553924523	/nfs/dbraw/zinc/92/45/23/553924523.db2.gz	YZHRGZGIQPSKNI-SSEXGKCCSA-N	0	1	691.803	7.347	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000097967935	553925400	/nfs/dbraw/zinc/92/54/00/553925400.db2.gz	AFOXEIVBKBJSFA-LMKMVOKYSA-N	0	1	589.670	6.084	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000097967956	553925648	/nfs/dbraw/zinc/92/56/48/553925648.db2.gz	WNGCIBPDCBYSNF-YRVHBCJASA-N	0	1	710.661	8.207	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097968005	553926090	/nfs/dbraw/zinc/92/60/90/553926090.db2.gz	HZWRYUDSHZSEDL-HHHXNRCGSA-N	0	1	633.723	6.703	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097968031	553926630	/nfs/dbraw/zinc/92/66/30/553926630.db2.gz	GBTDCAFMQJHMCW-AREMUKBSSA-N	0	1	601.706	6.092	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097968017	553926682	/nfs/dbraw/zinc/92/66/82/553926682.db2.gz	RGPSHWFMFVTCSE-HHHXNRCGSA-N	0	1	650.178	7.217	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C	ZINC000097968043	553926689	/nfs/dbraw/zinc/92/66/89/553926689.db2.gz	QGCRIZAFTMFGDU-PMERELPUSA-N	0	1	673.813	7.208	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cc(OC)c(OC)c(OC)c3)C2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000033353773	553926711	/nfs/dbraw/zinc/92/67/11/553926711.db2.gz	BLGRVSHUXLXVHX-CGKQSPDFSA-N	0	1	572.658	6.040	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000097968084	553927334	/nfs/dbraw/zinc/92/73/34/553927334.db2.gz	GXUYAEXIFBNZOC-XMMPIXPASA-N	0	1	619.652	5.310	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(I)cc1	ZINC000033353945	553927906	/nfs/dbraw/zinc/92/79/06/553927906.db2.gz	CEOGWBKDBUZTEN-SSEXGKCCSA-N	0	1	664.068	10.004	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000097968113	553927947	/nfs/dbraw/zinc/92/79/47/553927947.db2.gz	HXHSDIFZHHDOHX-HSZRJFAPSA-N	0	1	596.061	6.177	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(O)c3)ccc2O1	ZINC000097968141	553928500	/nfs/dbraw/zinc/92/85/00/553928500.db2.gz	MYZDVXFCBJTFIY-IZHWHUGBSA-N	0	1	592.098	6.296	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1	ZINC000097968178	553928782	/nfs/dbraw/zinc/92/87/82/553928782.db2.gz	HIZSXTNZVKOJRJ-JGCGQSQUSA-N	0	1	728.248	8.016	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097968182	553928879	/nfs/dbraw/zinc/92/88/79/553928879.db2.gz	DBDHCLCTCOWZAG-HHHXNRCGSA-N	0	1	684.623	7.870	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000097968215	553929078	/nfs/dbraw/zinc/92/90/78/553929078.db2.gz	WOMQDJRIBDVRQM-QHCPKHFHSA-N	0	1	596.061	6.177	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000097968209	553929081	/nfs/dbraw/zinc/92/90/81/553929081.db2.gz	ZKVPKAHBVFMIKX-XIFFEERXSA-N	0	1	709.846	8.115	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097968222	553929103	/nfs/dbraw/zinc/92/91/03/553929103.db2.gz	RCAYTNWITBUXLI-MUUNZHRXSA-N	0	1	645.759	6.490	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097968207	553929154	/nfs/dbraw/zinc/92/91/54/553929154.db2.gz	XQNQBDHOGDXKDD-LJAQVGFWSA-N	0	1	659.786	6.962	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097968249	553929494	/nfs/dbraw/zinc/92/94/94/553929494.db2.gz	AFARTXWHXQXXBD-VWLOTQADSA-N	0	1	605.669	5.922	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097968252	553929674	/nfs/dbraw/zinc/92/96/74/553929674.db2.gz	CLDHMVNPAOCHKK-RUZDIDTESA-N	0	1	656.569	7.090	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C	ZINC000097968329	553930759	/nfs/dbraw/zinc/93/07/59/553930759.db2.gz	GFBSCROUDFEXJT-RUZDIDTESA-N	0	1	562.644	5.633	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000097968375	553931275	/nfs/dbraw/zinc/93/12/75/553931275.db2.gz	WJOFJUSIWLHHAV-HZAQMHFWSA-N	0	1	726.704	8.821	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1	ZINC000097968378	553931296	/nfs/dbraw/zinc/93/12/96/553931296.db2.gz	NMRUTGQHEPNSQZ-VWLOTQADSA-N	0	1	562.644	5.777	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000097968372	553931331	/nfs/dbraw/zinc/93/13/31/553931331.db2.gz	MQEBWPUPNLLRBK-MHZLTWQESA-N	0	1	611.676	6.677	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000097968425	553932394	/nfs/dbraw/zinc/93/23/94/553932394.db2.gz	PNPNKUAJISYFDB-QHCPKHFHSA-N	0	1	596.061	6.177	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097968433	553932491	/nfs/dbraw/zinc/93/24/91/553932491.db2.gz	GINNWSRVJHVZAN-MHZLTWQESA-N	0	1	613.717	6.258	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097968429	553932501	/nfs/dbraw/zinc/93/25/01/553932501.db2.gz	YYZRVLLJEAUDTB-LJAQVGFWSA-N	0	1	643.787	7.262	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000097969039	553935924	/nfs/dbraw/zinc/93/59/24/553935924.db2.gz	JLYLVICPDVDMBV-UGDMGKLASA-N	0	1	555.671	6.265	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C	ZINC000097969052	553936265	/nfs/dbraw/zinc/93/62/65/553936265.db2.gz	WXPSUKSXZMXJDP-SANMLTNESA-N	0	1	561.506	5.637	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000097969105	553936648	/nfs/dbraw/zinc/93/66/48/553936648.db2.gz	VTRUJDYLMVBSNK-GDLZYMKVSA-N	0	1	544.648	5.121	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097969136	553936855	/nfs/dbraw/zinc/93/68/55/553936855.db2.gz	DJXHQYVHANNUIN-IZHWHUGBSA-N	0	1	594.089	6.729	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000097969158	553937431	/nfs/dbraw/zinc/93/74/31/553937431.db2.gz	VHZWXNNUDXQQAB-BSEYFRJRSA-N	0	1	551.451	7.018	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097969171	553937504	/nfs/dbraw/zinc/93/75/04/553937504.db2.gz	IRKSMRLZNNHUNP-IIMAJNMQSA-N	0	1	657.814	7.433	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097969265	553938668	/nfs/dbraw/zinc/93/86/68/553938668.db2.gz	FLXMOMVRKGMXGF-PBBNMVCDSA-N	0	1	627.788	7.506	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097969249	553938774	/nfs/dbraw/zinc/93/87/74/553938774.db2.gz	ZBUKCLLNIIMZIB-VOIUYBSRSA-N	0	1	576.099	6.590	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1	ZINC000097969258	553938792	/nfs/dbraw/zinc/93/87/92/553938792.db2.gz	MNGCOQPBUCRPPY-DHYKOVJISA-N	0	1	709.821	8.054	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1	ZINC000097969257	553938799	/nfs/dbraw/zinc/93/87/99/553938799.db2.gz	MNGCOQPBUCRPPY-KATKFWMUSA-N	0	1	709.821	8.054	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097969294	553939425	/nfs/dbraw/zinc/93/94/25/553939425.db2.gz	WUUBQBIYFDFACY-MMTVBGGISA-N	0	1	613.761	7.116	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000097969320	553939603	/nfs/dbraw/zinc/93/96/03/553939603.db2.gz	UFPNYWSDGXRUHU-JGCGQSQUSA-N	0	1	660.748	8.091	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000097969401	553940420	/nfs/dbraw/zinc/94/04/20/553940420.db2.gz	MEHLUCKNHPBSLM-WKRVVKTRSA-N	0	1	555.671	6.409	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097969374	553940459	/nfs/dbraw/zinc/94/04/59/553940459.db2.gz	MRZKAZSVTBFZQT-WHLCRQNOSA-N	0	1	648.206	7.769	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000097969404	553940495	/nfs/dbraw/zinc/94/04/95/553940495.db2.gz	MEHLUCKNHPBSLM-UVDDSOTQSA-N	0	1	555.671	6.409	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000097969428	553940764	/nfs/dbraw/zinc/94/07/64/553940764.db2.gz	WDJBJSBOOZICDU-HKBQPEDESA-N	0	1	570.686	5.273	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(Br)cc1	ZINC000097969476	553941597	/nfs/dbraw/zinc/94/15/97/553941597.db2.gz	WMPSTARILJXKMD-AREMUKBSSA-N	0	1	550.449	5.951	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000097969531	553941873	/nfs/dbraw/zinc/94/18/73/553941873.db2.gz	FOQOCPKLYJPGJE-UVDDSOTQSA-N	0	1	555.671	6.612	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097969569	553942630	/nfs/dbraw/zinc/94/26/30/553942630.db2.gz	IBAIQAWMZWEAJZ-COOREUGTSA-N	0	1	697.838	8.669	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097969570	553942696	/nfs/dbraw/zinc/94/26/96/553942696.db2.gz	IBAIQAWMZWEAJZ-AOXBRHMESA-N	0	1	697.838	8.669	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCCC)c(OCC)c2)nc1C	ZINC000097969611	553942977	/nfs/dbraw/zinc/94/29/77/553942977.db2.gz	GHLYONRGFSKFJU-MHZLTWQESA-N	0	1	634.707	5.926	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC)c2)nc1C	ZINC000097969640	553943390	/nfs/dbraw/zinc/94/33/90/553943390.db2.gz	BSCVITUIORJHOX-DEOSSOPVSA-N	0	1	576.627	5.137	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCCC)c2)nc1C	ZINC000097969719	553944078	/nfs/dbraw/zinc/94/40/78/553944078.db2.gz	NHBWAXIXIVDWAL-VWLOTQADSA-N	0	1	590.654	5.527	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000097969803	553945000	/nfs/dbraw/zinc/94/50/00/553945000.db2.gz	UCCKLFPPYMMVCR-VWLOTQADSA-N	0	1	572.614	6.048	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097969799	553945030	/nfs/dbraw/zinc/94/50/30/553945030.db2.gz	AMHBIEZHIKSDKD-WENCNXQZSA-N	0	1	675.804	7.653	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097969782	553945080	/nfs/dbraw/zinc/94/50/80/553945080.db2.gz	MURYTZLSDOZNHE-PVAZPRTOSA-N	0	1	677.848	8.515	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097969825	553945475	/nfs/dbraw/zinc/94/54/75/553945475.db2.gz	OWHLHBIBEKTIQW-WGDIFIGCSA-N	0	1	620.152	6.989	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097969829	553945597	/nfs/dbraw/zinc/94/55/97/553945597.db2.gz	DXDSHLHFSQDNSQ-XRHLQHRESA-N	0	1	617.724	6.865	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1	ZINC000097969925	553946915	/nfs/dbraw/zinc/94/69/15/553946915.db2.gz	FGLZXLOMFNFYIO-HKBQPEDESA-N	0	1	655.128	7.482	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1	ZINC000097969950	553947388	/nfs/dbraw/zinc/94/73/88/553947388.db2.gz	WAMPXBLPDXESLM-GDLZYMKVSA-N	0	1	592.629	6.651	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000097970018	553948170	/nfs/dbraw/zinc/94/81/70/553948170.db2.gz	WVGIFWNHSUAYPB-GDLZYMKVSA-N	0	1	640.714	6.482	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1	ZINC000097969992	553948184	/nfs/dbraw/zinc/94/81/84/553948184.db2.gz	ULTWMGQZVXQPPZ-HKBQPEDESA-N	0	1	578.621	5.609	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1	ZINC000097970070	553949014	/nfs/dbraw/zinc/94/90/14/553949014.db2.gz	SBZKPZYBOOEQJZ-VWLOTQADSA-N	0	1	592.670	5.751	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000097970089	553949568	/nfs/dbraw/zinc/94/95/68/553949568.db2.gz	ZNGDINUGIZESKQ-ADXZGYQBSA-N	0	1	649.750	6.877	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000097970086	553949641	/nfs/dbraw/zinc/94/96/41/553949641.db2.gz	ZNGDINUGIZESKQ-XBBWARJSSA-N	0	1	649.750	6.877	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097970113	553949650	/nfs/dbraw/zinc/94/96/50/553949650.db2.gz	XTZZZZDKMWQPDM-XRHLQHRESA-N	0	1	617.724	6.865	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097970124	553949915	/nfs/dbraw/zinc/94/99/15/553949915.db2.gz	DEDRDSFMKAOMOW-XHCCPWGMSA-N	0	1	599.734	6.644	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C	ZINC000097970162	553950396	/nfs/dbraw/zinc/95/03/96/553950396.db2.gz	VKGAEKLAXDFNPT-ROTAYESASA-N	0	1	689.831	7.899	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097970151	553950471	/nfs/dbraw/zinc/95/04/71/553950471.db2.gz	MTKXQTKARLKASV-JMQGSBJISA-N	0	1	647.750	6.873	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000097970176	553950487	/nfs/dbraw/zinc/95/04/87/553950487.db2.gz	MVPVQGWSAHCHKN-SSEXGKCCSA-N	0	1	557.643	5.856	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1	ZINC000097970296	553952038	/nfs/dbraw/zinc/95/20/38/553952038.db2.gz	CYHPWIIOKUJGLE-WYOOIXGGSA-N	0	1	691.831	7.914	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097970407	553953658	/nfs/dbraw/zinc/95/36/58/553953658.db2.gz	KZIHFEIHDFKNLJ-JRPXNJEYSA-N	0	1	657.814	7.514	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097970406	553953759	/nfs/dbraw/zinc/95/37/59/553953759.db2.gz	KZIHFEIHDFKNLJ-URAOTHONSA-N	0	1	657.814	7.514	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1	ZINC000097970506	553954973	/nfs/dbraw/zinc/95/49/73/553954973.db2.gz	KMFMJBVZHCWPCZ-MUUNZHRXSA-N	0	1	642.686	5.770	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097970541	553955595	/nfs/dbraw/zinc/95/55/95/553955595.db2.gz	NEXGSQATWVFRKW-ACSYHNTCSA-N	0	1	643.787	7.043	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC	ZINC000097970547	553955643	/nfs/dbraw/zinc/95/56/43/553955643.db2.gz	PLFISMGMIUOJHY-AREMUKBSSA-N	0	1	574.611	5.266	50	30		KKEAMN
O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1)C(F)(F)F	ZINC000033358444	553955723	/nfs/dbraw/zinc/95/57/23/553955723.db2.gz	IPXIYQHZJULSQO-NRUKRWIHSA-N	0	1	568.595	7.729	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097970564	553955840	/nfs/dbraw/zinc/95/58/40/553955840.db2.gz	GZRSESOBCJBNCF-ROTAYESASA-N	0	1	706.286	8.558	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000097970614	553956421	/nfs/dbraw/zinc/95/64/21/553956421.db2.gz	QOUZDBZMIDPHES-MYUZEXMDSA-N	0	1	620.724	6.312	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC	ZINC000097970667	553957248	/nfs/dbraw/zinc/95/72/48/553957248.db2.gz	AAKXMQAMMXKXDO-LJAQVGFWSA-N	0	1	616.692	6.437	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097970679	553957522	/nfs/dbraw/zinc/95/75/22/553957522.db2.gz	NXRVYOJURONNTG-CLYVBNDRSA-N	0	1	615.708	6.641	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C	ZINC000097970709	553957791	/nfs/dbraw/zinc/95/77/91/553957791.db2.gz	UKCYWJITAHIHBH-LJAQVGFWSA-N	0	1	558.631	5.455	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097970716	553957804	/nfs/dbraw/zinc/95/78/04/553957804.db2.gz	SIVQTGCMDKITIU-NGOKVRLYSA-N	0	1	613.761	7.034	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C	ZINC000097970708	553957873	/nfs/dbraw/zinc/95/78/73/553957873.db2.gz	UKCYWJITAHIHBH-GDLZYMKVSA-N	0	1	558.631	5.455	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C	ZINC000097970731	553957945	/nfs/dbraw/zinc/95/79/45/553957945.db2.gz	SOYMKGATFRQZAA-JRPXNJEYSA-N	0	1	556.659	6.007	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C	ZINC000097970720	553958043	/nfs/dbraw/zinc/95/80/43/553958043.db2.gz	IETXFNQHGFZMEB-ROTAYESASA-N	0	1	706.286	8.414	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C	ZINC000097970931	553959624	/nfs/dbraw/zinc/95/96/24/553959624.db2.gz	KHMSAIUTQMDMLV-NDEPHWFRSA-N	0	1	628.703	6.403	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097970960	553959769	/nfs/dbraw/zinc/95/97/69/553959769.db2.gz	MXPAMLPHAJMDDF-UGDMGKLASA-N	0	1	555.671	6.409	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000097971003	553960174	/nfs/dbraw/zinc/96/01/74/553960174.db2.gz	HWZARRMZZVNSDZ-JGCGQSQUSA-N	0	1	562.666	6.506	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000097971003	553960179	/nfs/dbraw/zinc/96/01/79/553960179.db2.gz	HWZARRMZZVNSDZ-JGCGQSQUSA-N	0	1	562.666	6.506	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000097971002	553960322	/nfs/dbraw/zinc/96/03/22/553960322.db2.gz	HWZARRMZZVNSDZ-YTTGMZPUSA-N	0	1	562.666	6.506	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000097971002	553960323	/nfs/dbraw/zinc/96/03/23/553960323.db2.gz	HWZARRMZZVNSDZ-YTTGMZPUSA-N	0	1	562.666	6.506	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1	ZINC000097971031	553960519	/nfs/dbraw/zinc/96/05/19/553960519.db2.gz	WODWWEJGNSZMCJ-YTTGMZPUSA-N	0	1	582.741	6.172	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(C)cc1	ZINC000097971026	553960578	/nfs/dbraw/zinc/96/05/78/553960578.db2.gz	MYPKPAOOFVQHJY-HKBQPEDESA-N	0	1	596.650	9.817	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1	ZINC000097999654	554044993	/nfs/dbraw/zinc/04/49/93/554044993.db2.gz	WOGUDUCWUZWKQH-GJBXTBEHSA-N	0	1	593.079	7.350	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	ZINC000097999771	554045925	/nfs/dbraw/zinc/04/59/25/554045925.db2.gz	LGMMQDNXRHFURG-UNHQYKRWSA-N	0	1	663.258	10.107	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccco4)CC(=O)C3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000098003695	554056013	/nfs/dbraw/zinc/05/60/13/554056013.db2.gz	NEQHEVFVTKQCLB-BPJXYHRLSA-N	0	1	640.689	6.546	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000098045524	554132176	/nfs/dbraw/zinc/13/21/76/554132176.db2.gz	CPFRJNPYFNWWPH-UGDMGKLASA-N	0	1	550.596	8.325	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC=C)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000098046349	554137893	/nfs/dbraw/zinc/13/78/93/554137893.db2.gz	ORGHLBVVKYEQGC-HSZRJFAPSA-N	0	1	565.047	6.104	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(F)c2)cc1	ZINC000098046442	554139040	/nfs/dbraw/zinc/13/90/40/554139040.db2.gz	CHSCVLUOOCISRL-RUZDIDTESA-N	0	1	575.687	6.931	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000098046456	554139309	/nfs/dbraw/zinc/13/93/09/554139309.db2.gz	UOWCWSBBVQFKHP-RUZDIDTESA-N	0	1	636.593	7.555	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F	ZINC000098046493	554139817	/nfs/dbraw/zinc/13/98/17/554139817.db2.gz	UXTFAYKPPMMVNU-PMERELPUSA-N	0	1	669.756	7.349	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000098046491	554139998	/nfs/dbraw/zinc/13/99/98/554139998.db2.gz	PYEFWAUTOVLGCH-DEOSSOPVSA-N	0	1	612.104	6.813	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC	ZINC000098046543	554140281	/nfs/dbraw/zinc/14/02/81/554140281.db2.gz	YQSWMJVEXHMOSJ-GDLZYMKVSA-N	0	1	659.761	8.076	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000098046529	554140325	/nfs/dbraw/zinc/14/03/25/554140325.db2.gz	CAYMKLVWFMEVCS-AREMUKBSSA-N	0	1	616.120	7.578	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C	ZINC000098046574	554141242	/nfs/dbraw/zinc/14/12/42/554141242.db2.gz	MIIFRHIUGLJXPN-NDEPHWFRSA-N	0	1	544.604	5.065	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc(Br)c2)s1	ZINC000098046677	554142407	/nfs/dbraw/zinc/14/24/07/554142407.db2.gz	XRRNHWWTPCOJSK-XMMPIXPASA-N	0	1	576.472	6.279	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(Oc4ccccc4)c3)cc2)c1	ZINC000098046697	554142752	/nfs/dbraw/zinc/14/27/52/554142752.db2.gz	VCXIRUJWCCMRGY-UUWRZZSWSA-N	0	1	582.656	7.540	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000098046753	554143194	/nfs/dbraw/zinc/14/31/94/554143194.db2.gz	XVTUOWPUDQLWBI-XMMPIXPASA-N	0	1	533.452	5.083	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC	ZINC000098046848	554144387	/nfs/dbraw/zinc/14/43/87/554144387.db2.gz	XCOOUSFNTAVADR-HSZRJFAPSA-N	0	1	563.632	5.770	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC	ZINC000098046849	554144458	/nfs/dbraw/zinc/14/44/58/554144458.db2.gz	XCOOUSFNTAVADR-QHCPKHFHSA-N	0	1	563.632	5.770	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)c(C)c1	ZINC000098047050	554145983	/nfs/dbraw/zinc/14/59/83/554145983.db2.gz	XOTCKXSCVGPBTK-OAQYLSRUSA-N	0	1	541.025	5.772	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)cc1C	ZINC000098047049	554146172	/nfs/dbraw/zinc/14/61/72/554146172.db2.gz	FVFLRWUYBGXMDM-NRFANRHFSA-N	0	1	541.025	5.772	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000098047101	554146703	/nfs/dbraw/zinc/14/67/03/554146703.db2.gz	QACJBSMKPIASHM-SSEXGKCCSA-N	0	1	532.596	6.526	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1OC	ZINC000098047248	554148286	/nfs/dbraw/zinc/14/82/86/554148286.db2.gz	ARVLTWLEXPPMFW-LJAQVGFWSA-N	0	1	536.584	5.456	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000098047379	554150185	/nfs/dbraw/zinc/15/01/85/554150185.db2.gz	HWZZRCJBABNDPG-VWLOTQADSA-N	0	1	592.142	7.446	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccs2)cc1F	ZINC000098047392	554150494	/nfs/dbraw/zinc/15/04/94/554150494.db2.gz	KMWQOFWZFBCZLI-HXUWFJFHSA-N	0	1	523.636	6.122	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000098047411	554150532	/nfs/dbraw/zinc/15/05/32/554150532.db2.gz	VKVLTUICXKWTJV-PMERELPUSA-N	0	1	643.831	8.361	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCCCC)cc2)cc1	ZINC000098047407	554150632	/nfs/dbraw/zinc/15/06/32/554150632.db2.gz	KZTSRKMUBCXLGF-NDEPHWFRSA-N	0	1	620.768	7.405	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1	ZINC000098047409	554150645	/nfs/dbraw/zinc/15/06/45/554150645.db2.gz	HAWOPXIWATYVCJ-LJAQVGFWSA-N	0	1	634.795	7.795	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1	ZINC000098047428	554150879	/nfs/dbraw/zinc/15/08/79/554150879.db2.gz	JPOVYJNPCMYYQF-GDLZYMKVSA-N	0	1	664.249	8.625	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC	ZINC000098047449	554150896	/nfs/dbraw/zinc/15/08/96/554150896.db2.gz	ALUXRDYSFCUACS-LJAQVGFWSA-N	0	1	661.777	7.505	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000098047422	554150947	/nfs/dbraw/zinc/15/09/47/554150947.db2.gz	PBMXAJSUUXQDBA-SSEXGKCCSA-N	0	1	661.821	8.500	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000098047450	554151420	/nfs/dbraw/zinc/15/14/20/554151420.db2.gz	UGEMIUZOVBSZDM-GDLZYMKVSA-N	0	1	645.803	7.508	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000098047467	554151441	/nfs/dbraw/zinc/15/14/41/554151441.db2.gz	BSGQBJRBKLSKTH-YTTGMZPUSA-N	0	1	698.266	9.025	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000098047459	554151474	/nfs/dbraw/zinc/15/14/74/554151474.db2.gz	GKQDXKKZQAVGFU-NDEPHWFRSA-N	0	1	627.694	7.992	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000098047538	554152255	/nfs/dbraw/zinc/15/22/55/554152255.db2.gz	ZAAKNRNBOLDEDW-MUUNZHRXSA-N	0	1	644.149	8.507	50	30		KKEAMN
CCCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC	ZINC000098047549	554152723	/nfs/dbraw/zinc/15/27/23/554152723.db2.gz	MXBWJXHAUYDPMY-MGBGTMOVSA-N	0	1	701.911	9.150	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OCC	ZINC000098047555	554152748	/nfs/dbraw/zinc/15/27/48/554152748.db2.gz	BGBCRJQSCLMQOD-WJOKGBTCSA-N	0	1	678.848	8.194	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1	ZINC000098047587	554153086	/nfs/dbraw/zinc/15/30/86/554153086.db2.gz	CJSYEGQWQJGPOG-WJOKGBTCSA-N	0	1	708.302	9.023	50	30		KKEAMN
CCCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC	ZINC000098047577	554153135	/nfs/dbraw/zinc/15/31/35/554153135.db2.gz	VYYJYGIPNDIVSW-MGBGTMOVSA-N	0	1	719.901	9.289	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000098047601	554153357	/nfs/dbraw/zinc/15/33/57/554153357.db2.gz	FXPKIFNQBLOIJL-RUZDIDTESA-N	0	1	637.139	7.354	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1	ZINC000098047627	554153388	/nfs/dbraw/zinc/15/33/88/554153388.db2.gz	UFRQAYFGHVMZRK-WJOKGBTCSA-N	0	1	691.847	8.509	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000098047617	554153626	/nfs/dbraw/zinc/15/36/26/554153626.db2.gz	CWWPAMMHLNCKLT-JGCGQSQUSA-N	0	1	687.884	8.534	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000098047640	554154044	/nfs/dbraw/zinc/15/40/44/554154044.db2.gz	IFZVUVWXDGRIHF-MHZLTWQESA-N	0	1	665.765	6.957	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000098047683	554154392	/nfs/dbraw/zinc/15/43/92/554154392.db2.gz	YEBLCYVNCHHCSE-WJOKGBTCSA-N	0	1	708.302	8.879	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1Cl	ZINC000098047690	554154510	/nfs/dbraw/zinc/15/45/10/554154510.db2.gz	CNRUIVRHCXUUMJ-QFIPXVFZSA-N	0	1	534.827	5.911	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1	ZINC000098047710	554154952	/nfs/dbraw/zinc/15/49/52/554154952.db2.gz	FTRJXKUAFXLTQQ-UMSFTDKQSA-N	0	1	703.817	8.802	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047724	554154984	/nfs/dbraw/zinc/15/49/84/554154984.db2.gz	IQCIFSBJYXWLFJ-PMERELPUSA-N	0	1	655.773	8.093	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000098047731	554155335	/nfs/dbraw/zinc/15/53/35/554155335.db2.gz	HAJCPLARIOWHGV-JGCGQSQUSA-N	0	1	675.763	8.707	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047749	554155351	/nfs/dbraw/zinc/15/53/51/554155351.db2.gz	GSPSTEKGDGUNIO-HHHXNRCGSA-N	0	1	597.693	7.223	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C)cc2)cc1F	ZINC000098047742	554155424	/nfs/dbraw/zinc/15/54/24/554155424.db2.gz	AZSIWHXXZGASCX-MHZLTWQESA-N	0	1	597.693	7.223	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000098047783	554155768	/nfs/dbraw/zinc/15/57/68/554155768.db2.gz	DTCGEQMUDBZVJF-GDLZYMKVSA-N	0	1	685.780	6.810	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047776	554155783	/nfs/dbraw/zinc/15/57/83/554155783.db2.gz	QKAVHUGJQHPMSD-LJAQVGFWSA-N	0	1	623.731	7.779	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047789	554156335	/nfs/dbraw/zinc/15/63/35/554156335.db2.gz	HTICTZBGZVGKJP-SSEXGKCCSA-N	0	1	651.766	7.349	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccccc2)cc1F	ZINC000098047836	554156652	/nfs/dbraw/zinc/15/66/52/554156652.db2.gz	MZYLPVZNQIAZGJ-SANMLTNESA-N	0	1	567.667	7.214	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047825	554156717	/nfs/dbraw/zinc/15/67/17/554156717.db2.gz	QLFAAVFSDKHMEJ-MUUNZHRXSA-N	0	1	611.720	7.613	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC	ZINC000098047823	554156792	/nfs/dbraw/zinc/15/67/92/554156792.db2.gz	NIAAISUECNGYGC-WJOKGBTCSA-N	0	1	669.800	8.402	50	30		KKEAMN
Cc1ccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3cccc(Oc4ccccc4)c3)cc2)cc1	ZINC000098047850	554157079	/nfs/dbraw/zinc/15/70/79/554157079.db2.gz	DGNQGIJPHPDWCJ-YTTGMZPUSA-N	0	1	562.666	6.506	50	30		KKEAMN
O=C(Nc1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000100052636	554194871	/nfs/dbraw/zinc/19/48/71/554194871.db2.gz	OYAWYPSJENPRNG-XBBWARJSSA-N	0	1	544.438	8.193	50	30		KKEAMN
COc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000100052664	554194909	/nfs/dbraw/zinc/19/49/09/554194909.db2.gz	BKVJIUUTHQKBGC-WRGVRERRSA-N	0	1	540.019	7.548	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)C2)cc1OC	ZINC000100110082	554221103	/nfs/dbraw/zinc/22/11/03/554221103.db2.gz	GMYVIMNYUQORLQ-GVELEZAPSA-N	0	1	601.659	7.226	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)C=Cc2ccccc2)cc1	ZINC000100109994	554221213	/nfs/dbraw/zinc/22/12/13/554221213.db2.gz	DAYVAWMIUVUNQJ-AOCIIXMHSA-N	0	1	610.754	8.385	50	30		KKEAMN
Cc1cc(C)nc(NC(=NC(=O)N2c3ccccc3Sc3ccccc32)NCCc2c[nH]c3ccccc23)n1	ZINC000100127279	554225083	/nfs/dbraw/zinc/22/50/83/554225083.db2.gz	YBPXIVTZJURRMZ-UHFFFAOYSA-N	0	1	533.661	6.598	50	30		KKEAMN
O=C(c1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000100142000	554228134	/nfs/dbraw/zinc/22/81/34/554228134.db2.gz	QQFWVDUPIOHYTC-ACSYHNTCSA-N	0	1	529.423	7.801	50	30		KKEAMN
Cc1[nH]n(-c2ccc(OC(F)(F)F)cc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2	ZINC000043199870	554297802	/nfs/dbraw/zinc/29/78/02/554297802.db2.gz	XLEVMSDNWOWFNX-SANMLTNESA-N	0	1	579.497	5.863	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000049918094	554327280	/nfs/dbraw/zinc/32/72/80/554327280.db2.gz	GGQPJZBVFPWEKT-OOOSNSGVSA-N	0	1	558.634	6.696	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000053290102	554331219	/nfs/dbraw/zinc/33/12/19/554331219.db2.gz	OYGFILRNYKXEHY-IBGZPJMESA-N	0	1	547.416	5.645	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000053291241	554331502	/nfs/dbraw/zinc/33/15/02/554331502.db2.gz	YGAJDMZKOBQSQV-OAQYLSRUSA-N	0	1	520.588	5.326	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000053291619	554331885	/nfs/dbraw/zinc/33/18/85/554331885.db2.gz	KZGBXDNKIYTPCM-LJQANCHMSA-N	0	1	557.422	5.101	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000053291955	554332020	/nfs/dbraw/zinc/33/20/20/554332020.db2.gz	UFVXJSUSGBPEOB-QFIPXVFZSA-N	0	1	522.604	5.557	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nnc(C)s2)c1	ZINC000053291831	554332049	/nfs/dbraw/zinc/33/20/49/554332049.db2.gz	KIUOSQCJIGFTQF-VWLOTQADSA-N	0	1	527.602	5.525	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nnc(C)s2)c1	ZINC000053291829	554332142	/nfs/dbraw/zinc/33/21/42/554332142.db2.gz	KIUOSQCJIGFTQF-RUZDIDTESA-N	0	1	527.602	5.525	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1	ZINC000053292176	554332249	/nfs/dbraw/zinc/33/22/49/554332249.db2.gz	DBLVHZDETBYRKD-HXUWFJFHSA-N	0	1	531.175	6.134	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000053292054	554332304	/nfs/dbraw/zinc/33/23/04/554332304.db2.gz	DTQMJHDGTFBGET-JOCHJYFZSA-N	0	1	569.864	6.894	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)cc1	ZINC000053306256	554333526	/nfs/dbraw/zinc/33/35/26/554333526.db2.gz	GAFQZEOTGZVCKK-QFIPXVFZSA-N	0	1	553.409	6.380	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000053306594	554333958	/nfs/dbraw/zinc/33/39/58/554333958.db2.gz	QPYRHDIMAVDPLN-HXUWFJFHSA-N	0	1	561.443	6.035	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000053306525	554334066	/nfs/dbraw/zinc/33/40/66/554334066.db2.gz	GHCCEYULCOYILE-JOCHJYFZSA-N	0	1	551.418	5.859	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000053306650	554334299	/nfs/dbraw/zinc/33/42/99/554334299.db2.gz	QFHZIBIAMOAKLM-NRFANRHFSA-N	0	1	523.383	6.289	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)cc1	ZINC000053308030	554335441	/nfs/dbraw/zinc/33/54/41/554335441.db2.gz	RIPKKAHNVKIWPU-QFIPXVFZSA-N	0	1	525.399	5.916	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000053319139	554336356	/nfs/dbraw/zinc/33/63/56/554336356.db2.gz	MABUGCGPXXNHPR-HXUWFJFHSA-N	0	1	571.449	5.491	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(Br)cc1)c1ccc(F)cc1	ZINC000053319266	554336965	/nfs/dbraw/zinc/33/69/65/554336965.db2.gz	FDZRNWYAFWRNEW-HXUWFJFHSA-N	0	1	527.346	6.120	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Br)c1	ZINC000053319286	554337244	/nfs/dbraw/zinc/33/72/44/554337244.db2.gz	ASYQBHJKAWLTGO-RUZDIDTESA-N	0	1	535.438	5.966	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C	ZINC000053319467	554338343	/nfs/dbraw/zinc/33/83/43/554338343.db2.gz	LSZKZWFLTRCEGO-SANMLTNESA-N	0	1	598.633	5.371	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1	ZINC000053319524	554338551	/nfs/dbraw/zinc/33/85/51/554338551.db2.gz	XWMHSTMHZLKCHB-CXNHSUMOSA-N	0	1	593.123	8.238	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000053337491	554342316	/nfs/dbraw/zinc/34/23/16/554342316.db2.gz	FQRBSHBCPRHLFH-XMMPIXPASA-N	0	1	565.003	5.521	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cccc(Cl)c2)cc1OC	ZINC000053359679	554345242	/nfs/dbraw/zinc/34/52/42/554345242.db2.gz	FWCDMNISLAQFNB-CAQRMWTPSA-N	0	1	565.069	7.572	50	30		KKEAMN
CCCCCCCCCCCCC(=O)N(C[C@H](C)/C(=N/c1ccccc1)Nc1ccccc1)c1ccccc1	ZINC000059608868	554411666	/nfs/dbraw/zinc/41/16/66/554411666.db2.gz	KYIBCWITQMUASL-PMERELPUSA-N	0	1	525.781	9.809	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccc(C)cc4)cc3)C(=O)C(=O)N2CCCOC)cc1	ZINC000100674632	554443261	/nfs/dbraw/zinc/44/32/61/554443261.db2.gz	PINMMARQMWYBBO-SSEXGKCCSA-N	0	1	543.660	6.368	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000100674875	554443301	/nfs/dbraw/zinc/44/33/01/554443301.db2.gz	GNUSEKUPDRAQFO-XMMPIXPASA-N	0	1	627.557	6.989	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccc(OC)c2)cc1	ZINC000100675312	554443609	/nfs/dbraw/zinc/44/36/09/554443609.db2.gz	GQABLEPHWICNLH-VWLOTQADSA-N	0	1	578.687	6.235	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000100675303	554443631	/nfs/dbraw/zinc/44/36/31/554443631.db2.gz	FKESLAUHPHKFAJ-RUZDIDTESA-N	0	1	578.687	6.235	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000100677235	554444223	/nfs/dbraw/zinc/44/42/23/554444223.db2.gz	MVAGHKDWIGXSRX-VWLOTQADSA-N	0	1	572.614	6.651	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCC)c(OCC)c2)cc1	ZINC000100677309	554444686	/nfs/dbraw/zinc/44/46/86/554444686.db2.gz	NRJYWDYVPNQINZ-AREMUKBSSA-N	0	1	608.713	6.387	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC	ZINC000100677751	554444691	/nfs/dbraw/zinc/44/46/91/554444691.db2.gz	YRCLGOLPILCAQU-RUZDIDTESA-N	0	1	596.677	6.436	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCC)cc2)cc1	ZINC000100677303	554444735	/nfs/dbraw/zinc/44/47/35/554444735.db2.gz	IPMCHLYSTKERAQ-XMMPIXPASA-N	0	1	564.660	5.989	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000100678331	554445029	/nfs/dbraw/zinc/44/50/29/554445029.db2.gz	WNIWCNHPCHFSAU-MHZLTWQESA-N	0	1	622.740	6.633	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000100679408	554445232	/nfs/dbraw/zinc/44/52/32/554445232.db2.gz	SCNWSOPEVJMPKU-XMMPIXPASA-N	0	1	610.685	5.616	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000100679422	554445404	/nfs/dbraw/zinc/44/54/04/554445404.db2.gz	ABPVTEHGLUEXTL-QFIPXVFZSA-N	0	1	555.052	6.243	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000100680042	554446004	/nfs/dbraw/zinc/44/60/04/554446004.db2.gz	RNPZETDORCFWDO-VWLOTQADSA-N	0	1	592.670	5.773	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCC)cc2)cc1	ZINC000100680302	554446494	/nfs/dbraw/zinc/44/64/94/554446494.db2.gz	DYHKJSMVLKHGAG-VWLOTQADSA-N	0	1	578.687	6.379	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000100681070	554447264	/nfs/dbraw/zinc/44/72/64/554447264.db2.gz	KCDLQCHQRNMSTG-HSZRJFAPSA-N	0	1	596.658	5.226	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000100681029	554447270	/nfs/dbraw/zinc/44/72/70/554447270.db2.gz	HSBPHUYXEVTIDZ-HSZRJFAPSA-N	0	1	611.514	6.519	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000100681241	554447520	/nfs/dbraw/zinc/44/75/20/554447520.db2.gz	KQESSCWFGNXWHS-GDLZYMKVSA-N	0	1	547.648	6.815	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(Cl)cc2)c(C)c1	ZINC000100736808	554461277	/nfs/dbraw/zinc/46/12/77/554461277.db2.gz	CDIYQVLWRRSKEX-QFIPXVFZSA-N	0	1	555.052	6.162	50	30		KKEAMN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000101062462	554570369	/nfs/dbraw/zinc/57/03/69/554570369.db2.gz	WEFIOPFPKBZFBG-AYWGPLOBSA-N	0	1	508.416	5.281	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc(Br)c1)c1ccc(Br)cc1	ZINC000101062638	554570619	/nfs/dbraw/zinc/57/06/19/554570619.db2.gz	BYRHBTWSPKHJIC-IBOXJLQUSA-N	0	1	520.202	5.294	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc(Br)cc1	ZINC000101062647	554570631	/nfs/dbraw/zinc/57/06/31/554570631.db2.gz	AAIBVDHFKMEHPP-HOGKFDNTSA-N	0	1	533.403	6.324	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1	ZINC000101069834	554574263	/nfs/dbraw/zinc/57/42/63/554574263.db2.gz	FDYIUEAGIPLPJR-IAMBOQNYSA-N	0	1	537.410	6.441	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)o1	ZINC000101069856	554574432	/nfs/dbraw/zinc/57/44/32/554574432.db2.gz	PKYYTVTWCMHJJF-OBVHCKHUSA-N	0	1	523.408	6.203	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000101069944	554574660	/nfs/dbraw/zinc/57/46/60/554574660.db2.gz	NWNQWXHPGZIJCY-YDJIHCHBSA-N	0	1	502.286	6.094	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000101072871	554576599	/nfs/dbraw/zinc/57/65/99/554576599.db2.gz	HHBGQWIECMFSEY-YDJIHCHBSA-N	0	1	509.356	5.824	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000101100186	554586818	/nfs/dbraw/zinc/58/68/18/554586818.db2.gz	MYUZHLVCPZNIHK-JBCNATCCSA-N	0	1	523.383	6.133	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000101276737	554702954	/nfs/dbraw/zinc/70/29/54/554702954.db2.gz	BJWROTHVTQRQNC-MRJHHRETSA-N	0	1	573.454	6.044	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000101277578	554704009	/nfs/dbraw/zinc/70/40/09/554704009.db2.gz	IFUVJNRFWVDOEH-MRJHHRETSA-N	0	1	583.460	5.500	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000101278263	554704783	/nfs/dbraw/zinc/70/47/83/554704783.db2.gz	LYCUUFSXCMGENA-ONQGDUAMSA-N	0	1	625.659	6.216	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000101278222	554704918	/nfs/dbraw/zinc/70/49/18/554704918.db2.gz	LJXBQFNXDZLCPG-JVZIKCOHSA-N	0	1	551.020	5.397	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000101293998	554710668	/nfs/dbraw/zinc/71/06/68/554710668.db2.gz	YEWPOOWRUBXHDE-NXLSWJSLSA-N	0	1	516.550	5.635	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000101310204	554717037	/nfs/dbraw/zinc/71/70/37/554717037.db2.gz	VGWOQQFMNLPLFT-ICQXDZJJSA-N	0	1	539.628	5.638	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000101310209	554717059	/nfs/dbraw/zinc/71/70/59/554717059.db2.gz	CSDLTQKYWIWAJG-QJGFIUGVSA-N	0	1	525.601	5.595	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000101316892	554724128	/nfs/dbraw/zinc/72/41/28/554724128.db2.gz	OXKIEFSDSZCXRX-ZLYDLHQSSA-N	0	1	597.718	6.345	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000101316971	554724280	/nfs/dbraw/zinc/72/42/80/554724280.db2.gz	XPIZKVVEMNGGDW-FZIYRNTBSA-N	0	1	615.708	6.484	50	30		KKEAMN
C=C(C)COc1cc2oc(=O)c(CC(=O)N3CCc4nc[nH]c4[C@@H]3c3ccc(OC)cc3)c(C)c2cc1Cl	ZINC000101475554	554782026	/nfs/dbraw/zinc/78/20/26/554782026.db2.gz	GSANUCDVPCCTHV-NDEPHWFRSA-N	0	1	534.012	5.158	50	30		KKEAMN
CC(C)c1ccc(NC2=C(Sc3cccc(NS(=O)(=O)c4ccccc4C#N)c3)C(=O)N(c3ccccc3)C2=O)cc1	ZINC000101977324	554863141	/nfs/dbraw/zinc/86/31/41/554863141.db2.gz	OIBRIXDFRCAKJK-UHFFFAOYSA-N	0	1	594.718	6.472	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000102076471	554874591	/nfs/dbraw/zinc/87/45/91/554874591.db2.gz	DKHAJTRMPUWITN-VTVSLZSGSA-N	0	1	511.618	6.057	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000102076650	554874785	/nfs/dbraw/zinc/87/47/85/554874785.db2.gz	AAULGPJBJLMINA-WMRKGWLDSA-N	0	1	529.637	5.143	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000102076666	554874838	/nfs/dbraw/zinc/87/48/38/554874838.db2.gz	AAULGPJBJLMINA-WZEFDDPJSA-N	0	1	529.637	5.143	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000102076753	554875148	/nfs/dbraw/zinc/87/51/48/554875148.db2.gz	XYBJIWQEIFLNTQ-WGGXKBPPSA-N	0	1	527.617	5.547	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C	ZINC000102175155	554891644	/nfs/dbraw/zinc/89/16/44/554891644.db2.gz	XZVQOTLDCDQNHY-CJJGVWJISA-N	0	1	561.506	5.481	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000102434310	554927545	/nfs/dbraw/zinc/92/75/45/554927545.db2.gz	OYQIRVHXOMQAJJ-NXLSWJSLSA-N	0	1	513.575	5.664	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102483863	554937640	/nfs/dbraw/zinc/93/76/40/554937640.db2.gz	TZGDNQCBXKYFOK-AYWGPLOBSA-N	0	1	531.546	5.238	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1C	ZINC000102483678	554937763	/nfs/dbraw/zinc/93/77/63/554937763.db2.gz	YFXFDBIQVULBQX-CJJGVWJISA-N	0	1	571.512	5.080	50	30		KKEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)c1	ZINC000102484995	554937864	/nfs/dbraw/zinc/93/78/64/554937864.db2.gz	LUIQCLQBUUEKDA-MOBKVPTQSA-N	0	1	541.398	5.378	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000102485310	554937895	/nfs/dbraw/zinc/93/78/95/554937895.db2.gz	PCZQPQFVEMUPLC-WENCHWOGSA-N	0	1	532.596	5.606	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC	ZINC000102487459	554938590	/nfs/dbraw/zinc/93/85/90/554938590.db2.gz	WQIHIJVMUBQAGI-MOBKVPTQSA-N	0	1	508.502	5.218	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000102487409	554938616	/nfs/dbraw/zinc/93/86/16/554938616.db2.gz	KTNCHXMKEAOSFG-HOGKFDNTSA-N	0	1	554.983	5.741	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000102493160	554939708	/nfs/dbraw/zinc/93/97/08/554939708.db2.gz	LURQGGUXUZDHOQ-ZAOVDLIJSA-N	0	1	545.635	6.253	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3C)cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000102499475	554941861	/nfs/dbraw/zinc/94/18/61/554941861.db2.gz	GUTAPRMOZZFNKN-TXTDGAROSA-N	0	1	531.605	5.049	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000102502252	554943416	/nfs/dbraw/zinc/94/34/16/554943416.db2.gz	FGSYWPMYLMFQSO-MRJHHRETSA-N	0	1	539.382	5.833	50	30		KKEAMN
CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000102503816	554943927	/nfs/dbraw/zinc/94/39/27/554943927.db2.gz	JZQXYEVOUFGJNQ-ZORLYMSLSA-N	0	1	554.687	5.280	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000102503607	554943954	/nfs/dbraw/zinc/94/39/54/554943954.db2.gz	COLGSWUNYBFBOL-AUNXFTLJSA-N	0	1	618.730	6.510	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2ccco2)cc(OC)c1OC	ZINC000102511060	554946281	/nfs/dbraw/zinc/94/62/81/554946281.db2.gz	WESKHICAZPESDH-WGGXKBPPSA-N	0	1	569.610	5.815	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2F)cc1	ZINC000102514974	554947645	/nfs/dbraw/zinc/94/76/45/554947645.db2.gz	IKJUZZKYWIKVJV-JBCNATCCSA-N	0	1	524.570	5.182	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC	ZINC000102516781	554948262	/nfs/dbraw/zinc/94/82/62/554948262.db2.gz	DAAUUFXTUDUVQQ-QMMFTLRZSA-N	0	1	580.637	5.617	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000102516623	554948277	/nfs/dbraw/zinc/94/82/77/554948277.db2.gz	MFMSVKGZPLEPIO-ZHHPLPSFSA-N	0	1	514.409	5.491	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	ZINC000102520585	554949564	/nfs/dbraw/zinc/94/95/64/554949564.db2.gz	NYTKUPGSCQKRFZ-WGGXKBPPSA-N	0	1	595.523	6.025	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1	ZINC000102538917	554956505	/nfs/dbraw/zinc/95/65/05/554956505.db2.gz	JTUARUKFNABEPC-KFLIVHAJSA-N	0	1	562.666	6.350	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OC)c2)nc1C	ZINC000102543271	554958130	/nfs/dbraw/zinc/95/81/30/554958130.db2.gz	YDPAUDRJMSVAMI-CZNAVJSXSA-N	0	1	600.649	5.466	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102542578	554958167	/nfs/dbraw/zinc/95/81/67/554958167.db2.gz	NGYUFHBJZIYKQB-MOBKVPTQSA-N	0	1	535.419	6.084	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2	ZINC000102545766	554959111	/nfs/dbraw/zinc/95/91/11/554959111.db2.gz	DQHAMZZHUJPQHJ-MOBKVPTQSA-N	0	1	549.948	5.255	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102546644	554959529	/nfs/dbraw/zinc/95/95/29/554959529.db2.gz	PGLWOUMMOXGRTE-ANCNPBKRSA-N	0	1	581.477	6.952	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1	ZINC000102551509	554962265	/nfs/dbraw/zinc/96/22/65/554962265.db2.gz	QLVZKHWERKTSPP-QMMFTLRZSA-N	0	1	533.580	5.659	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000102552374	554962548	/nfs/dbraw/zinc/96/25/48/554962548.db2.gz	BHLCFYGRPPKTPI-WGGXKBPPSA-N	0	1	543.616	5.657	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1	ZINC000102552630	554962773	/nfs/dbraw/zinc/96/27/73/554962773.db2.gz	FCVZALRKEHZLCE-CJJGVWJISA-N	0	1	514.509	5.336	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1	ZINC000102553141	554963114	/nfs/dbraw/zinc/96/31/14/554963114.db2.gz	QBHICTFJFNYUIX-VEZPTTSMSA-N	0	1	582.623	9.352	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000102559085	554966522	/nfs/dbraw/zinc/96/65/22/554966522.db2.gz	JWVVPSZPLSDITF-DFXXOVSGSA-N	0	1	513.590	5.649	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000102559090	554966528	/nfs/dbraw/zinc/96/65/28/554966528.db2.gz	JWVVPSZPLSDITF-TXTDGAROSA-N	0	1	513.590	5.649	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1	ZINC000102560378	554967639	/nfs/dbraw/zinc/96/76/39/554967639.db2.gz	GKNBULDDKPQHPM-VEZPTTSMSA-N	0	1	630.719	6.526	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000102560559	554967842	/nfs/dbraw/zinc/96/78/42/554967842.db2.gz	BEJXWNGATBVZQB-DFXXOVSGSA-N	0	1	544.604	5.052	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102563395	554968927	/nfs/dbraw/zinc/96/89/27/554968927.db2.gz	SWUDXHAVYUNRGR-HOGKFDNTSA-N	0	1	553.865	6.901	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000102572657	554971026	/nfs/dbraw/zinc/97/10/26/554971026.db2.gz	JIGOREQASHXBHH-NXLSWJSLSA-N	0	1	591.642	5.376	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC	ZINC000102576324	554971563	/nfs/dbraw/zinc/97/15/63/554971563.db2.gz	AKIIVLULWONQOS-NPJIAGGLSA-N	0	1	578.643	5.239	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000102578771	554971762	/nfs/dbraw/zinc/97/17/62/554971762.db2.gz	NKIMSCYZXSSDFA-AYWGPLOBSA-N	0	1	561.616	5.367	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC	ZINC000102580518	554972233	/nfs/dbraw/zinc/97/22/33/554972233.db2.gz	VBBPRKBXZBXELW-ONQGDUAMSA-N	0	1	606.697	6.019	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000102581533	554972597	/nfs/dbraw/zinc/97/25/97/554972597.db2.gz	HIIWMOVEWZBIAO-OGHRCCBNSA-N	0	1	589.670	5.928	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000102581884	554972711	/nfs/dbraw/zinc/97/27/11/554972711.db2.gz	VPNFQZKSJMTAAS-NXLSWJSLSA-N	0	1	608.097	5.890	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C	ZINC000102584198	554972777	/nfs/dbraw/zinc/97/27/77/554972777.db2.gz	QHRHEBQCXVHLQN-QHCPKHFHSA-N	0	1	566.632	5.223	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000102587641	554973611	/nfs/dbraw/zinc/97/36/11/554973611.db2.gz	VNRCCDVYPQAPMW-CJJGVWJISA-N	0	1	619.696	6.156	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(Cl)c(Cl)c2)s1	ZINC000102589811	554973860	/nfs/dbraw/zinc/97/38/60/554973860.db2.gz	OKBVGDJVMRLNSO-DEGIHATKSA-N	0	1	502.379	5.103	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1	ZINC000102594325	554975411	/nfs/dbraw/zinc/97/54/11/554975411.db2.gz	GDQUFWUIGPSXRB-MOBKVPTQSA-N	0	1	517.887	6.002	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccncc2)[C@H]1c1cccc(OCc2ccccc2)c1	ZINC000102599165	554977363	/nfs/dbraw/zinc/97/73/63/554977363.db2.gz	OWQCBAXSNNEIFG-MIOXIQPJSA-N	0	1	534.568	5.054	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102598904	554977389	/nfs/dbraw/zinc/97/73/89/554977389.db2.gz	IGHWROWUBAYKIH-AIKCTZLLSA-N	0	1	594.089	6.573	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000102603664	554978126	/nfs/dbraw/zinc/97/81/26/554978126.db2.gz	FWIIATRYOFKMDJ-NPJIAGGLSA-N	0	1	615.689	5.323	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC	ZINC000102606407	554979279	/nfs/dbraw/zinc/97/92/79/554979279.db2.gz	MGRGHVLODSFFMD-HOGKFDNTSA-N	0	1	528.439	5.257	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102617066	554984485	/nfs/dbraw/zinc/98/44/85/554984485.db2.gz	NLEDXEDYSGBOAT-FSISNWKMSA-N	0	1	543.557	5.163	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000102617416	554984805	/nfs/dbraw/zinc/98/48/05/554984805.db2.gz	OCIPVPXTHYZOLQ-WYNCGZBVSA-N	0	1	634.751	6.546	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2	ZINC000102622201	554987467	/nfs/dbraw/zinc/98/74/67/554987467.db2.gz	GQMSSHKTLODGCW-AYWGPLOBSA-N	0	1	577.615	5.073	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102647210	554993347	/nfs/dbraw/zinc/99/33/47/554993347.db2.gz	OQFPNLUCEJIRBD-GYBOJBDRSA-N	0	1	555.671	6.600	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000102649058	554994634	/nfs/dbraw/zinc/99/46/34/554994634.db2.gz	RUOPKXJHGLHQRE-GSYBUTJLSA-N	0	1	541.644	6.065	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000102650322	554995627	/nfs/dbraw/zinc/99/56/27/554995627.db2.gz	UVJYGFAVVGCXRT-RDGASKBCSA-N	0	1	561.634	6.220	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000102650725	554995664	/nfs/dbraw/zinc/99/56/64/554995664.db2.gz	IZKBPPGLCPMLBM-FZIYRNTBSA-N	0	1	517.578	5.412	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C	ZINC000102653551	554997124	/nfs/dbraw/zinc/99/71/24/554997124.db2.gz	VLOMKZGINBDUQG-CZNAVJSXSA-N	0	1	600.649	5.466	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)ccc1OCCC(C)C	ZINC000102655412	554998373	/nfs/dbraw/zinc/99/83/73/554998373.db2.gz	BZSFQZUWEQNIGH-FGEDTZIGSA-N	0	1	537.653	5.292	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000102655471	554998415	/nfs/dbraw/zinc/99/84/15/554998415.db2.gz	BXQHQUBNEOHPCP-VTVSLZSGSA-N	0	1	535.600	5.511	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102655741	554998766	/nfs/dbraw/zinc/99/87/66/554998766.db2.gz	BLYHBIIIFSMMKQ-WGQAXHKASA-N	0	1	577.456	6.017	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C	ZINC000102656162	554999058	/nfs/dbraw/zinc/99/90/58/554999058.db2.gz	SZNBQTUBQVICCR-CJJGVWJISA-N	0	1	620.680	5.379	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000102663324	555001215	/nfs/dbraw/zinc/00/12/15/555001215.db2.gz	KZFVDRUJXYUOAJ-YMCWBSDSSA-N	0	1	531.521	5.293	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O	ZINC000102681683	555005797	/nfs/dbraw/zinc/00/57/97/555005797.db2.gz	KADWAWDAJPMILK-RSERVXPISA-N	0	1	611.445	5.862	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102696392	555011359	/nfs/dbraw/zinc/01/13/59/555011359.db2.gz	RBWMYRXTKFAPFL-AYWGPLOBSA-N	0	1	531.546	5.156	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000102699494	555012479	/nfs/dbraw/zinc/01/24/79/555012479.db2.gz	MQBPSGPFEVWMAG-CJJGVWJISA-N	0	1	505.998	5.686	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000102710786	555016482	/nfs/dbraw/zinc/01/64/82/555016482.db2.gz	XMLKDFZCTSELBY-DFXXOVSGSA-N	0	1	535.556	5.499	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102723965	555021030	/nfs/dbraw/zinc/02/10/30/555021030.db2.gz	KQCPJNDNCJMZBX-MOBKVPTQSA-N	0	1	509.414	6.792	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)cc1Cl	ZINC000102734022	555024576	/nfs/dbraw/zinc/02/45/76/555024576.db2.gz	GZXOZMNNXWFGTI-WOOAAIBNSA-N	0	1	503.736	5.034	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000102735327	555025310	/nfs/dbraw/zinc/02/53/10/555025310.db2.gz	KJZXUQOPYIAIMO-WENCHWOGSA-N	0	1	517.581	6.424	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102736976	555026476	/nfs/dbraw/zinc/02/64/76/555026476.db2.gz	UXLVVDZMFOWANP-CGKJMNDRSA-N	0	1	557.584	5.553	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1	ZINC000102770829	555058222	/nfs/dbraw/zinc/05/82/22/555058222.db2.gz	WCUOGRPSJCNIPT-XLNMUAQOSA-N	0	1	581.875	6.662	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000102770777	555058288	/nfs/dbraw/zinc/05/82/88/555058288.db2.gz	XBCYGHQJRDOKSI-PNHZJWGWSA-N	0	1	512.393	5.025	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102771304	555060029	/nfs/dbraw/zinc/06/00/29/555060029.db2.gz	GGOZJWHURATZQL-WRPQUVRJSA-N	0	1	610.544	7.087	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccs3)ccc2O1	ZINC000102771547	555060650	/nfs/dbraw/zinc/06/06/50/555060650.db2.gz	NOBWSQFCHBHUCV-WAUVLBAPSA-N	0	1	509.008	5.961	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000102856681	555088011	/nfs/dbraw/zinc/08/80/11/555088011.db2.gz	PPDUIYQJGJNQLQ-SZYGQJGOSA-N	0	1	584.713	6.110	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000102859105	555089457	/nfs/dbraw/zinc/08/94/57/555089457.db2.gz	PHFJMSAJOWHHNS-RWMNMRIUSA-N	0	1	541.644	5.862	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000102859252	555089658	/nfs/dbraw/zinc/08/96/58/555089658.db2.gz	YSGAQSHBVFVYGW-GKYPKFCBSA-N	0	1	589.688	6.652	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000102859263	555089745	/nfs/dbraw/zinc/08/97/45/555089745.db2.gz	YSGAQSHBVFVYGW-SXARVTSNSA-N	0	1	589.688	6.652	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102860178	555090297	/nfs/dbraw/zinc/09/02/97/555090297.db2.gz	GUKYHZIZBOLWDS-LFVOPCPISA-N	0	1	527.421	5.755	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1	ZINC000102862947	555092558	/nfs/dbraw/zinc/09/25/58/555092558.db2.gz	HDDOXQMQJQKLQG-IAMBOQNYSA-N	0	1	503.511	5.587	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(OC)c3OC)sc2c1	ZINC000102864041	555093970	/nfs/dbraw/zinc/09/39/70/555093970.db2.gz	ILRGDLKXEMXSOJ-NHFXJNLRSA-N	0	1	508.577	5.010	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000102864671	555094135	/nfs/dbraw/zinc/09/41/35/555094135.db2.gz	ZXZXYEFEEHNNMM-YDJIHCHBSA-N	0	1	513.413	5.547	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)c(C)c1	ZINC000102865285	555094837	/nfs/dbraw/zinc/09/48/37/555094837.db2.gz	KPKHVEBCIIGSNJ-CJJGVWJISA-N	0	1	571.512	5.080	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C	ZINC000102866914	555096392	/nfs/dbraw/zinc/09/63/92/555096392.db2.gz	AZDTWPKWAJTXBC-YDJIHCHBSA-N	0	1	508.596	5.453	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1	ZINC000102867777	555097342	/nfs/dbraw/zinc/09/73/42/555097342.db2.gz	ZIIPQCRJPYTJJR-DFXXOVSGSA-N	0	1	513.590	5.649	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102869512	555098773	/nfs/dbraw/zinc/09/87/73/555098773.db2.gz	VJHROUKXINXEAE-FGEDTZIGSA-N	0	1	613.761	6.959	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000102870076	555100105	/nfs/dbraw/zinc/10/01/05/555100105.db2.gz	VNCIUXHUBGITPF-WYNCGZBVSA-N	0	1	531.605	5.803	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102870509	555100636	/nfs/dbraw/zinc/10/06/36/555100636.db2.gz	UHVXCIDVHLRYIN-MNOIWJKESA-N	0	1	627.788	7.349	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000102872506	555103179	/nfs/dbraw/zinc/10/31/79/555103179.db2.gz	RYNNIQKWYFHBBY-YJMWBXFMSA-N	0	1	511.618	5.853	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1	ZINC000102874945	555104912	/nfs/dbraw/zinc/10/49/12/555104912.db2.gz	HZGOBLCYRHZELX-MOBKVPTQSA-N	0	1	520.538	5.088	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102875359	555105278	/nfs/dbraw/zinc/10/52/78/555105278.db2.gz	VKDUISRDTYVNED-CZNAVJSXSA-N	0	1	603.678	5.942	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102879902	555108911	/nfs/dbraw/zinc/10/89/11/555108911.db2.gz	BCIPCRVCFLIZSM-QBCYBHDASA-N	0	1	527.617	5.472	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000102880201	555109351	/nfs/dbraw/zinc/10/93/51/555109351.db2.gz	ZJQCJLNECVXKFM-ZHHPLPSFSA-N	0	1	567.019	5.610	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000102882724	555111140	/nfs/dbraw/zinc/11/11/40/555111140.db2.gz	FORCWUGRJKHRFH-AYWGPLOBSA-N	0	1	550.589	5.249	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102883458	555111982	/nfs/dbraw/zinc/11/19/82/555111982.db2.gz	GJIJGJVOECYPCV-AYWGPLOBSA-N	0	1	534.977	5.356	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000102883575	555112113	/nfs/dbraw/zinc/11/21/13/555112113.db2.gz	BVUNJQPBQMAWIU-WGGXKBPPSA-N	0	1	558.631	5.442	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1	ZINC000102884071	555112847	/nfs/dbraw/zinc/11/28/47/555112847.db2.gz	YKXGSYVEAFJMHI-AHPONGEQSA-N	0	1	578.621	5.452	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000102884348	555113171	/nfs/dbraw/zinc/11/31/71/555113171.db2.gz	CDONGKQZFJKPBD-WBMUNJTESA-N	0	1	606.125	6.442	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102884839	555114797	/nfs/dbraw/zinc/11/47/97/555114797.db2.gz	TZIJMQVEUDOCRO-NXLSWJSLSA-N	0	1	559.556	5.001	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000102885374	555115456	/nfs/dbraw/zinc/11/54/56/555115456.db2.gz	NLKTUMNBVYVAMM-AHPONGEQSA-N	0	1	552.199	9.551	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(F)cc2)nc1C	ZINC000102885262	555115501	/nfs/dbraw/zinc/11/55/01/555115501.db2.gz	BALBVIOTKHBNPK-NPJIAGGLSA-N	0	1	572.614	5.891	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3cccc(Cl)c3)cc2)c1	ZINC000102886924	555117778	/nfs/dbraw/zinc/11/77/78/555117778.db2.gz	LYZBYQMEQCPQPC-SBXHHDGASA-N	0	1	517.006	6.310	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000102887137	555118267	/nfs/dbraw/zinc/11/82/67/555118267.db2.gz	NYLLOEADLPERFC-WNQPQFFOSA-N	0	1	603.697	6.318	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000102887303	555118892	/nfs/dbraw/zinc/11/88/92/555118892.db2.gz	BBQMRYCDWAPUOX-JVJOXMINSA-N	0	1	617.724	6.708	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)cc1OCC	ZINC000102887834	555120094	/nfs/dbraw/zinc/12/00/94/555120094.db2.gz	KMRDKHVYUPLKNA-LODGOHBISA-N	0	1	537.653	5.436	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000102887787	555120107	/nfs/dbraw/zinc/12/01/07/555120107.db2.gz	SEEXHYXBJFGPBG-QNIVJUIWSA-N	0	1	617.680	5.706	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102887805	555120137	/nfs/dbraw/zinc/12/01/37/555120137.db2.gz	JLYOKVIJEMEGHU-NGAXIMOQSA-N	0	1	599.734	6.569	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)cc1OCC	ZINC000102887830	555120196	/nfs/dbraw/zinc/12/01/96/555120196.db2.gz	KMRDKHVYUPLKNA-FGEDTZIGSA-N	0	1	537.653	5.436	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1	ZINC000102887935	555120481	/nfs/dbraw/zinc/12/04/81/555120481.db2.gz	BULJLLUIYUFTBA-WGGXKBPPSA-N	0	1	592.629	6.495	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1	ZINC000102887874	555120497	/nfs/dbraw/zinc/12/04/97/555120497.db2.gz	UQSZEEPMENAARQ-AHPONGEQSA-N	0	1	552.199	9.551	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1	ZINC000102887939	555120552	/nfs/dbraw/zinc/12/05/52/555120552.db2.gz	BULJLLUIYUFTBA-MIOXIQPJSA-N	0	1	592.629	6.495	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000102888258	555121177	/nfs/dbraw/zinc/12/11/77/555121177.db2.gz	FWTOIUXJIIMMQG-IOUQRVAPSA-N	0	1	613.717	5.875	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1	ZINC000102889100	555122809	/nfs/dbraw/zinc/12/28/09/555122809.db2.gz	WSIFCGXNJGATII-ZORLYMSLSA-N	0	1	568.198	9.252	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000102889934	555124494	/nfs/dbraw/zinc/12/44/94/555124494.db2.gz	WHZKVPIMTSBJRT-MOBKVPTQSA-N	0	1	573.841	6.654	50	30		KKEAMN
COc1ccccc1[C@@H]1C(C(=O)c2ccc(OCc3ccccc3)cc2)C(=O)C(=O)N1Cc1cccnc1	ZINC000102890320	555125640	/nfs/dbraw/zinc/12/56/40/555125640.db2.gz	WAXQAMCAOLZWSA-DFXXOVSGSA-N	0	1	506.558	5.291	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000102891016	555126568	/nfs/dbraw/zinc/12/65/68/555126568.db2.gz	UXSHLOMFHSHFCR-MIOXIQPJSA-N	0	1	537.616	5.291	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccnc3)s2)cc1	ZINC000102891594	555127364	/nfs/dbraw/zinc/12/73/64/555127364.db2.gz	DRKSCGZGPALDEJ-JBCNATCCSA-N	0	1	500.605	5.160	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000102891998	555128061	/nfs/dbraw/zinc/12/80/61/555128061.db2.gz	IVCUMHFCTVAFEW-KNZGKXHUSA-N	0	1	533.005	5.908	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102892322	555128480	/nfs/dbraw/zinc/12/84/80/555128480.db2.gz	SHGLAKCPWIJNIY-NXLSWJSLSA-N	0	1	559.556	5.001	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000102893384	555130857	/nfs/dbraw/zinc/13/08/57/555130857.db2.gz	JVMCZBMULSOTSG-CZNAVJSXSA-N	0	1	604.637	5.118	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000102893602	555131081	/nfs/dbraw/zinc/13/10/81/555131081.db2.gz	FRWVAIHORZLONI-TXTDGAROSA-N	0	1	628.703	6.159	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C	ZINC000102894940	555133173	/nfs/dbraw/zinc/13/31/73/555133173.db2.gz	DYFAJRPVZQVTIN-NPJIAGGLSA-N	0	1	599.621	5.660	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1	ZINC000102897399	555137825	/nfs/dbraw/zinc/13/78/25/555137825.db2.gz	WHPLVPSDWKKUAH-SZYGQJGOSA-N	0	1	563.779	8.607	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O	ZINC000102897423	555137851	/nfs/dbraw/zinc/13/78/51/555137851.db2.gz	HUHSWABZFOOHEP-KGDZIIOTSA-N	0	1	549.004	5.614	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000102899751	555139455	/nfs/dbraw/zinc/13/94/55/555139455.db2.gz	WAIVTKKLHZDKHX-CZNAVJSXSA-N	0	1	622.696	5.603	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C	ZINC000102899757	555139619	/nfs/dbraw/zinc/13/96/19/555139619.db2.gz	HQNCNAMBBOPZBZ-WENCHWOGSA-N	0	1	556.659	5.851	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C	ZINC000102926826	555151555	/nfs/dbraw/zinc/15/15/55/555151555.db2.gz	NUQQCOUHJBDLPL-TXTDGAROSA-N	0	1	628.703	6.246	50	30		KKEAMN
Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000102927262	555151994	/nfs/dbraw/zinc/15/19/94/555151994.db2.gz	IHPPRIMZAJNPAG-VEZPTTSMSA-N	0	1	540.660	5.026	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3)sc2c1	ZINC000102931131	555158191	/nfs/dbraw/zinc/15/81/91/555158191.db2.gz	MJVDZLKUQQTOSR-HOGKFDNTSA-N	0	1	506.967	5.593	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102931673	555159254	/nfs/dbraw/zinc/15/92/54/555159254.db2.gz	LEGBTGMNUAYRPF-TXTDGAROSA-N	0	1	535.556	5.499	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(Br)cc1	ZINC000102932743	555160244	/nfs/dbraw/zinc/16/02/44/555160244.db2.gz	IRXCPKDMXZTXEA-AYWGPLOBSA-N	0	1	516.432	5.251	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C	ZINC000102935129	555162490	/nfs/dbraw/zinc/16/24/90/555162490.db2.gz	AAHFADSSALNAJP-NHFXJNLRSA-N	0	1	510.999	5.641	50	30		KKEAMN
CCCCCCCCC(=O)N(CCCOC)Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1	ZINC000102995806	555195218	/nfs/dbraw/zinc/19/52/18/555195218.db2.gz	PCTSHAMLYXKQHH-UHFFFAOYSA-N	0	1	515.718	5.187	50	30		KKEAMN
CCCCCCCCCCCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)[C@H](C)CC	ZINC000102999543	555199231	/nfs/dbraw/zinc/19/92/31/555199231.db2.gz	JRRUKYCSPLAZQJ-MUUNZHRXSA-N	0	1	537.837	7.371	50	30		KKEAMN
COc1cc(/C=C2\Oc3c(c(C)cc([O-])c3C[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)cc(OC)c1OC	ZINC000103895914	571368838	/nfs/dbraw/zinc/36/88/38/571368838.db2.gz	XOGFSLUREMQIBD-CFRMEGHHSA-N	0	1	551.039	5.318	50	30		KKEAMN
COc1ccc(C2=C3C(=O)CC(C)(C)C[C@H]3n3nc(Nc4ccccc4)c(C(=O)Nc4ccc(C)c(C)c4)c3N2)cc1	ZINC000104494660	571381272	/nfs/dbraw/zinc/38/12/72/571381272.db2.gz	XWQSFRMKRJYRQO-AREMUKBSSA-N	0	1	561.686	7.271	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(O)(c3ccc(C)cc3)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1	ZINC000137067814	571450236	/nfs/dbraw/zinc/45/02/36/571450236.db2.gz	SNZSILOAVKEFKN-WJOKGBTCSA-N	0	1	547.651	6.217	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/c1ccc2nc(-c3cccc(Br)c3)oc2c1	ZINC000150350586	571461928	/nfs/dbraw/zinc/46/19/28/571461928.db2.gz	YQBZMUCKFFBKGL-YSURURNPSA-N	0	1	645.032	6.923	50	30		KKEAMN
CC(=O)c1ccc(NC(=O)CSc2nc3ccc(N=Cc4cc(Br)cc(Br)c4O)cc3s2)cc1	ZINC000150356188	571463168	/nfs/dbraw/zinc/46/31/68/571463168.db2.gz	ICGLCNFMBTVTTB-LUOAPIJWSA-N	0	1	619.360	7.211	50	30		KKEAMN
Oc1c(I)cc(I)cc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl	ZINC000150391104	571473385	/nfs/dbraw/zinc/47/33/85/571473385.db2.gz	KXZSJAMIOUAYPJ-CGOBSMCZSA-N	0	1	617.037	5.338	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000150414016	571484962	/nfs/dbraw/zinc/48/49/62/571484962.db2.gz	PYXGHWHTBGYKHT-JGCGQSQUSA-N	0	1	659.764	9.006	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150418432	571486431	/nfs/dbraw/zinc/48/64/31/571486431.db2.gz	QXWNMBQFAXVJTM-ONQGDUAMSA-N	0	1	649.722	6.164	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150418187	571486443	/nfs/dbraw/zinc/48/64/43/571486443.db2.gz	IECSAWRQOZEICZ-XTUFCYCQSA-N	0	1	664.205	7.231	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C	ZINC000150422204	571488033	/nfs/dbraw/zinc/48/80/33/571488033.db2.gz	VESWORFXTAHDFI-NBXYUPGTSA-N	0	1	706.286	8.257	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C	ZINC000150424252	571488959	/nfs/dbraw/zinc/48/89/59/571488959.db2.gz	UINYYWOMOFCRBU-VIDUVWHZSA-N	0	1	685.868	7.912	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C	ZINC000150424435	571489163	/nfs/dbraw/zinc/48/91/63/571489163.db2.gz	XHHIFHWTMOCGJJ-RIEKNRFYSA-N	0	1	706.286	8.257	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C	ZINC000150424439	571489180	/nfs/dbraw/zinc/48/91/80/571489180.db2.gz	XHHIFHWTMOCGJJ-NBXYUPGTSA-N	0	1	706.286	8.257	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000150426366	571490644	/nfs/dbraw/zinc/49/06/44/571490644.db2.gz	YOQFDFNZDWOERT-WBMUNJTESA-N	0	1	634.135	6.220	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000150426555	571490959	/nfs/dbraw/zinc/49/09/59/571490959.db2.gz	GLFTVGYGNRKUDZ-CGKJMNDRSA-N	0	1	668.580	6.874	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000150426653	571490981	/nfs/dbraw/zinc/49/09/81/571490981.db2.gz	MWQIIKDOJYSFOA-LHKMDIPOSA-N	0	1	649.750	6.720	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000150426786	571491164	/nfs/dbraw/zinc/49/11/64/571491164.db2.gz	GOCQOEBYHGTZJY-OGHRCCBNSA-N	0	1	634.135	6.220	50	30		KKEAMN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000150432480	571494352	/nfs/dbraw/zinc/49/43/52/571494352.db2.gz	JWKYSSGLNKEAQT-RUZDIDTESA-N	0	1	624.096	6.444	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)nc1C	ZINC000150434365	571494901	/nfs/dbraw/zinc/49/49/01/571494901.db2.gz	AYVFXOCAIZPHDO-LJAQVGFWSA-N	0	1	648.778	7.190	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000150435044	571495098	/nfs/dbraw/zinc/49/50/98/571495098.db2.gz	PIJNDXLDPVPQAH-QMMFTLRZSA-N	0	1	667.740	6.946	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000150435108	571495254	/nfs/dbraw/zinc/49/52/54/571495254.db2.gz	BLRVCSUIXHTBPP-MUUNZHRXSA-N	0	1	627.694	7.992	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1	ZINC000150435788	571495758	/nfs/dbraw/zinc/49/57/58/571495758.db2.gz	ZSBDCRHJZKDDML-KFLIVHAJSA-N	0	1	711.793	7.345	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1	ZINC000150439913	571497555	/nfs/dbraw/zinc/49/75/55/571497555.db2.gz	VYFRXGUGTUNNRV-JOZOHXTNSA-N	0	1	726.276	8.411	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1	ZINC000150440068	571497782	/nfs/dbraw/zinc/49/77/82/571497782.db2.gz	IXWKXDUJSMOLAL-DNPZSINUSA-N	0	1	709.821	7.897	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150441788	571498654	/nfs/dbraw/zinc/49/86/54/571498654.db2.gz	HIQIBUARVMFXSE-NNZNMFTDSA-N	0	1	682.223	8.013	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C	ZINC000150445323	571500408	/nfs/dbraw/zinc/50/04/08/571500408.db2.gz	DBTSEWGIPDXBLH-VEZPTTSMSA-N	0	1	668.724	6.170	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150445411	571500431	/nfs/dbraw/zinc/50/04/31/571500431.db2.gz	JXVYXVFWMZFTCT-RWMNMRIUSA-N	0	1	657.814	7.276	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000150445839	571500615	/nfs/dbraw/zinc/50/06/15/571500615.db2.gz	OJNPRQCGYRYILX-TXTDGAROSA-N	0	1	658.729	6.168	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000150445725	571500748	/nfs/dbraw/zinc/50/07/48/571500748.db2.gz	QXFMDUZJAZNDKG-DZTJFIFISA-N	0	1	631.751	7.098	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000150453776	571503747	/nfs/dbraw/zinc/50/37/47/571503747.db2.gz	PFKKDRXKPJAABF-FWOIGAHVSA-N	0	1	637.508	6.121	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1	ZINC000150456473	571504479	/nfs/dbraw/zinc/50/44/79/571504479.db2.gz	ZYHCKQCFPXWTBE-QMMFTLRZSA-N	0	1	661.519	10.115	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150457968	571505193	/nfs/dbraw/zinc/50/51/93/571505193.db2.gz	LCLFXFGTOJEZFG-QBCYBHDASA-N	0	1	643.787	6.968	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000150458629	571505440	/nfs/dbraw/zinc/50/54/40/571505440.db2.gz	TVJYVSLHHKCCKS-VEZPTTSMSA-N	0	1	654.741	6.715	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150458485	571505561	/nfs/dbraw/zinc/50/55/61/571505561.db2.gz	NCJXTFSZHJPPNU-ANBMCXBTSA-N	0	1	677.848	8.502	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150461188	571506380	/nfs/dbraw/zinc/50/63/80/571506380.db2.gz	MCJRIDKPEDKFFD-HYVCFMKYSA-N	0	1	696.678	8.656	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000150463184	571507002	/nfs/dbraw/zinc/50/70/02/571507002.db2.gz	IJVXLJJBEOTLQE-QJGFIUGVSA-N	0	1	645.778	7.344	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000150463208	571507022	/nfs/dbraw/zinc/50/70/22/571507022.db2.gz	RFPIPEUKSBZXFL-TVKWNQJWSA-N	0	1	641.815	7.658	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C	ZINC000150463331	571507078	/nfs/dbraw/zinc/50/70/78/571507078.db2.gz	JRXFWVPVMBRSDX-YFFBQLFZSA-N	0	1	641.496	5.221	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150463364	571507286	/nfs/dbraw/zinc/50/72/86/571507286.db2.gz	ZZKHMJFNQCFEHC-NNZNMFTDSA-N	0	1	647.778	7.498	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150465550	571507849	/nfs/dbraw/zinc/50/78/49/571507849.db2.gz	LSQFNIMMUNAZDD-NBXYUPGTSA-N	0	1	706.286	8.401	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000150466139	571507935	/nfs/dbraw/zinc/50/79/35/571507935.db2.gz	MXAJRSUWDWHJCK-QBCYBHDASA-N	0	1	645.778	7.488	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150469466	571508596	/nfs/dbraw/zinc/50/85/96/571508596.db2.gz	UZYONSMJFVBLET-VEZPTTSMSA-N	0	1	708.258	7.849	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)s2)cc1	ZINC000150470210	571509082	/nfs/dbraw/zinc/50/90/82/571509082.db2.gz	KIYSKAQPCKRGKO-WGGXKBPPSA-N	0	1	643.787	6.961	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000150472922	571510224	/nfs/dbraw/zinc/51/02/24/571510224.db2.gz	OWWMOXSWGKUWEZ-ONQGDUAMSA-N	0	1	633.723	6.546	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150476321	571510882	/nfs/dbraw/zinc/51/08/82/571510882.db2.gz	HSXAVPDVGAGPRN-QMDVFYPZSA-N	0	1	696.678	8.512	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000150476809	571511074	/nfs/dbraw/zinc/51/10/74/571511074.db2.gz	JMJCAKNZIPLTIM-ONQGDUAMSA-N	0	1	628.131	7.035	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000150479738	571511726	/nfs/dbraw/zinc/51/17/26/571511726.db2.gz	AWMGHMIZEHUAPM-DFXXOVSGSA-N	0	1	647.750	6.936	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150480495	571512149	/nfs/dbraw/zinc/51/21/49/571512149.db2.gz	MEKQRJRHOSKDAK-ONQGDUAMSA-N	0	1	684.623	7.714	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000150481065	571512280	/nfs/dbraw/zinc/51/22/80/571512280.db2.gz	UDOIESNLNHXRJU-CFQDGGCTSA-N	0	1	709.846	7.959	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150481235	571512442	/nfs/dbraw/zinc/51/24/42/571512442.db2.gz	KQLDPVDQRDSSCP-TXTDGAROSA-N	0	1	698.650	8.104	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000150481696	571512783	/nfs/dbraw/zinc/51/27/83/571512783.db2.gz	KLRNWIFWGCGFSE-NXLSWJSLSA-N	0	1	642.542	6.543	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150481980	571512953	/nfs/dbraw/zinc/51/29/53/571512953.db2.gz	ILPNVUKTFGLKBO-MIOXIQPJSA-N	0	1	677.776	6.945	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150484751	571515047	/nfs/dbraw/zinc/51/50/47/571515047.db2.gz	BXDWTPNMTWWBIQ-CZNAVJSXSA-N	0	1	634.135	6.446	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000150486608	571516297	/nfs/dbraw/zinc/51/62/97/571516297.db2.gz	IIGAALXFVCEBDG-WGGXKBPPSA-N	0	1	643.787	7.105	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150486541	571516362	/nfs/dbraw/zinc/51/63/62/571516362.db2.gz	MMGBAGCJGIQDKJ-CJJGVWJISA-N	0	1	636.151	6.670	50	30		KKEAMN
CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc(-c4ccc(Cl)cc4)n[nH]3)sc2C1	ZINC000220970238	571604183	/nfs/dbraw/zinc/60/41/83/571604183.db2.gz	IIGFXHVVOLPJCY-HNNXBMFYSA-N	0	1	500.093	6.330	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@@H](Cc3nc4ccccc4[nH]3)c3ccc(Cl)cc3)C1=O)O2	ZINC000263585895	572120988	/nfs/dbraw/zinc/12/09/88/572120988.db2.gz	NQJDRHFYXFAQSM-YRCSAVHKSA-N	0	1	598.055	5.672	50	30		KKEAMN
C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(OC)c(OC)c5)coc-4c32)cc1OC	ZINC000263586582	572124252	/nfs/dbraw/zinc/12/42/52/572124252.db2.gz	VXSDFOYTDMRXFX-LJQANCHMSA-N	0	1	544.556	5.587	50	30		KKEAMN
Cc1cccc(/N=C2/c3ccccc3N(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)c1C	ZINC000226758531	572140700	/nfs/dbraw/zinc/14/07/00/572140700.db2.gz	JKTQAVUSQFBZIY-JCUPVDEDSA-N	0	1	514.673	6.136	50	30		KKEAMN
CCCCCCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1	ZINC000227068426	572149122	/nfs/dbraw/zinc/14/91/22/572149122.db2.gz	JKDKXOHPUDDMIF-ZGIBFIJWSA-N	0	1	567.513	7.784	50	30		KKEAMN
C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]1C[C@H](C1=CCOC1=O)N1CCN(c2ccccc2F)CC1	ZINC000250604808	572259130	/nfs/dbraw/zinc/25/91/30/572259130.db2.gz	ANBNJZPPIQCICX-JMOLZWJPSA-N	0	1	596.740	5.073	50	30		KKEAMN
Cc1cc(C)cc(-c2nc3cc(N=Cc4cc(I)cc(I)c4O)ccc3o2)c1	ZINC000252597695	572267105	/nfs/dbraw/zinc/26/71/05/572267105.db2.gz	CTPSRSLADGPISX-UHFFFAOYSA-N	0	1	594.190	6.777	50	30		KKEAMN
Clc1cc(Cl)c(OCCOc2ccccc2)c(C=NN=c2nc(N3CCCC3)[nH]c(N3CCCC3)n2)c1	ZINC000252622057	572269636	/nfs/dbraw/zinc/26/96/36/572269636.db2.gz	NNSDUGQNDZSWMA-UHFFFAOYSA-N	0	1	542.471	5.283	50	30		KKEAMN
C[C@]1(c2cccc([N+](=O)[O-])c2)Nc2ccccc2C(=O)N1N=Cc1cc(Br)cc(Br)c1O	ZINC000252627552	572270817	/nfs/dbraw/zinc/27/08/17/572270817.db2.gz	RWVAAUQAHSQQJX-QFIPXVFZSA-N	0	1	560.202	5.600	50	30		KKEAMN
COc1ccc(C=Nc2cccc(C3=NN(c4ccccc4)[C@H](c4ccc(Br)cc4)C3)c2)cc1	ZINC000252677869	572281282	/nfs/dbraw/zinc/28/12/82/572281282.db2.gz	AIKLOCPDGOFHGR-LJAQVGFWSA-N	0	1	510.435	7.564	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCc3c(C)[nH]c4ccc(OC(F)(F)F)cc43)C1=O)O2	ZINC000253401719	572285408	/nfs/dbraw/zinc/28/54/08/572285408.db2.gz	FUTLMKGYKRXYNO-UDKXPFRISA-N	0	1	584.547	5.089	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@H](CCC(C)C)[C@@H]3CCOC(C)(C)C3)C1=O)O2	ZINC000253404723	572286071	/nfs/dbraw/zinc/28/60/71/572286071.db2.gz	HYCNKKGGDFCLBZ-OHQPJBBTSA-N	0	1	567.723	5.806	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@H](CCC(C)C)[C@H]3CCOC(C)(C)C3)C1=O)O2	ZINC000253404715	572286078	/nfs/dbraw/zinc/28/60/78/572286078.db2.gz	HYCNKKGGDFCLBZ-DHZSCVSCSA-N	0	1	567.723	5.806	50	30		KKEAMN
Oc1c(I)cc(I)cc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl	ZINC000253618269	572301651	/nfs/dbraw/zinc/30/16/51/572301651.db2.gz	KXZSJAMIOUAYPJ-UHFFFAOYSA-N	0	1	617.037	5.338	50	30		KKEAMN
COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C=C(Nc2cccc(-c3n[nH]c(-c4ccccn4)n3)c2)C[C@@H]1C	ZINC000888090359	1071064823	/nfs/dbraw/zinc/06/48/23/1071064823.db2.gz	VBYSTEQOPVRSKO-PEGYKEAPSA-N	0	1	557.994	5.123	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000097969720	1072836917	/nfs/dbraw/zinc/83/69/17/1072836917.db2.gz	VMNCWBIHMALKFE-MGBGTMOVSA-N	0	1	577.806	9.072	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000097999820	1072842203	/nfs/dbraw/zinc/84/22/03/1072842203.db2.gz	IPKYEGBPJCQQCX-MUVVOIGYSA-N	0	1	610.795	8.491	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3C)[C@H]2c2ccc(F)cc2)nc1C	ZINC000000631125	551505094	/nfs/dbraw/zinc/50/50/94/551505094.db2.gz	JNJDDYHUCHZFGS-OAQYLSRUSA-N	0	1	524.570	5.257	50	30		KKEAMN
O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccc(Cl)cc1)C(F)(F)F	ZINC000000681832	551524736	/nfs/dbraw/zinc/52/47/36/551524736.db2.gz	BRHZQUUPHVDNJY-GKVSMKOHSA-N	0	1	541.913	6.711	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC	ZINC000000702937	551529751	/nfs/dbraw/zinc/52/97/51/551529751.db2.gz	HRVWJIUOTWQXAW-QHCPKHFHSA-N	0	1	532.574	5.591	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccc(C)cc4)C3)[C@@H]2c2cccnc2)cc(OC)c1OC	ZINC000000718116	551535013	/nfs/dbraw/zinc/53/50/13/551535013.db2.gz	PCEKRTASLDKZSE-RBBQXQBVSA-N	0	1	575.665	6.630	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CC(C)C)[C@@H]3c3ccccc3Cl)C2)cc1	ZINC000000718149	551535239	/nfs/dbraw/zinc/53/52/39/551535239.db2.gz	VQMQBZHHGLPEHF-ROTAYESASA-N	0	1	515.053	7.295	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]3c2cccnc2)cc1	ZINC000000718153	551535245	/nfs/dbraw/zinc/53/52/45/551535245.db2.gz	MGPZATPNNPHAPT-FLASPHMUSA-N	0	1	591.664	6.330	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000000858166	551550677	/nfs/dbraw/zinc/55/06/77/551550677.db2.gz	UFXNAOYKNHJWPJ-DEOSSOPVSA-N	0	1	522.395	5.287	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000000858167	551550787	/nfs/dbraw/zinc/55/07/87/551550787.db2.gz	UFXNAOYKNHJWPJ-XMMPIXPASA-N	0	1	522.395	5.287	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC	ZINC000001070907	551602919	/nfs/dbraw/zinc/60/29/19/551602919.db2.gz	OMDDYQPXXBPWPU-KEEVHDRGSA-N	0	1	599.640	5.635	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC	ZINC000001070894	551602931	/nfs/dbraw/zinc/60/29/31/551602931.db2.gz	OMDDYQPXXBPWPU-WRGVRERRSA-N	0	1	599.640	5.635	50	30		KKEAMN
COc1cc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc(OC)c1OC	ZINC000001070645	551602945	/nfs/dbraw/zinc/60/29/45/551602945.db2.gz	WCEKOHGEXIYCLY-XRHLQHRESA-N	0	1	552.549	6.175	50	30		KKEAMN
CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OCC)c(O)c([N+](=O)[O-])c2)cc1OC	ZINC000001077426	551604875	/nfs/dbraw/zinc/60/48/75/551604875.db2.gz	GLNIPDWENLHMFW-LDLUVENISA-N	0	1	545.592	6.086	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(Br)c1	ZINC000001168232	551620155	/nfs/dbraw/zinc/62/01/55/551620155.db2.gz	VTPVYIFYCAVANL-PIIWDFAUSA-N	0	1	501.424	6.760	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccccc3Cl)C2)cc1	ZINC000001246293	551631632	/nfs/dbraw/zinc/63/16/32/551631632.db2.gz	RODHTOQVGHOHOG-QUGAMOGWSA-N	0	1	526.942	6.812	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1	ZINC000001413418	551665485	/nfs/dbraw/zinc/66/54/85/551665485.db2.gz	WURXXEVVXITJLP-DEOSSOPVSA-N	0	1	519.370	5.891	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1	ZINC000001413483	551665798	/nfs/dbraw/zinc/66/57/98/551665798.db2.gz	WQYZZCNLGWPAQF-AREMUKBSSA-N	0	1	500.982	6.041	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000001413511	551666026	/nfs/dbraw/zinc/66/60/26/551666026.db2.gz	UXRAPDBLTDGOQT-HHHXNRCGSA-N	0	1	512.562	5.015	50	30		KKEAMN
COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000001438537	551671973	/nfs/dbraw/zinc/67/19/73/551671973.db2.gz	LGVMKRCPRKZIIN-XGCWNURASA-N	0	1	548.592	5.165	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000001446500	551674189	/nfs/dbraw/zinc/67/41/89/551674189.db2.gz	AQQWBWMXKIPTTH-DEOSSOPVSA-N	0	1	540.597	6.203	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000001451433	551676047	/nfs/dbraw/zinc/67/60/47/551676047.db2.gz	FTMBNLNDEOZMMM-OAQYLSRUSA-N	0	1	523.408	6.306	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000001458962	551677651	/nfs/dbraw/zinc/67/76/51/551677651.db2.gz	QEMRRNBETSHQPM-GZGVDWRWSA-N	0	1	560.650	6.927	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc(Br)cc1	ZINC000001469794	551680210	/nfs/dbraw/zinc/68/02/10/551680210.db2.gz	CXBOZMZXETWROU-QFIPXVFZSA-N	0	1	533.403	6.481	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1	ZINC000001480155	551681621	/nfs/dbraw/zinc/68/16/21/551681621.db2.gz	XQXSLEDQEKHJCO-JOCHJYFZSA-N	0	1	536.993	5.758	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000001481487	551682627	/nfs/dbraw/zinc/68/26/27/551682627.db2.gz	OJQZXMUBCWLYEN-QFIPXVFZSA-N	0	1	554.983	5.898	50	30		KKEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1	ZINC000001481486	551682710	/nfs/dbraw/zinc/68/27/10/551682710.db2.gz	QCGILDIEIVQONI-JOCHJYFZSA-N	0	1	524.957	5.889	50	30		KKEAMN
O=C(c1cccs1)N1CCN(c2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2)CC1	ZINC000001847551	551714895	/nfs/dbraw/zinc/71/48/95/551714895.db2.gz	PJEATXXOXDPXOO-AFUMVMLFSA-N	0	1	549.288	5.692	50	30		KKEAMN
COc1ccc(CCN2C(=O)[C@](c3c(C)[nH]n(-c4ccccc4)c3=O)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1OC	ZINC000001877037	551722957	/nfs/dbraw/zinc/72/29/57/551722957.db2.gz	GXCVAWSFURCZDL-SSEXGKCCSA-N	0	1	583.607	5.019	50	30		KKEAMN
COc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(Br)c4O)ccc3o2)cc1	ZINC000001881371	551724248	/nfs/dbraw/zinc/72/42/48/551724248.db2.gz	YEXKQIKMPVXETJ-BHGWPJFGSA-N	0	1	502.162	6.485	50	30		KKEAMN
Cc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Br)c4O)ccc3o2)cc1Br	ZINC000001882928	551724631	/nfs/dbraw/zinc/72/46/31/551724631.db2.gz	CLSUTCMDHHQCOS-KIBLKLHPSA-N	0	1	520.608	7.438	50	30		KKEAMN
CCCCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)C(=O)NC2=S)cc1	ZINC000002064167	551744952	/nfs/dbraw/zinc/74/49/52/551744952.db2.gz	PRTWCIJTMLJKBF-LFVJCYFKSA-N	0	1	542.730	6.080	50	30		KKEAMN
O=C(Oc1ccc(/C=N/c2ccc(-c3nc4ccccc4o3)c(O)c2)cc1)c1ccc(I)cc1	ZINC000002071490	551747415	/nfs/dbraw/zinc/74/74/15/551747415.db2.gz	QUAKBWSSFPVANF-MUFRIFMGSA-N	0	1	560.347	6.775	50	30		KKEAMN
CCOC(=O)CCc1cc(/N=C/c2cc(Br)ccc2O)c(O)c(/N=C/c2cc(Br)ccc2O)c1	ZINC000002160732	551780557	/nfs/dbraw/zinc/78/05/57/551780557.db2.gz	ZGGLALWTOCSQNP-JOFLXYQRSA-N	0	1	590.268	6.325	50	30		KKEAMN
Oc1c(I)cc(Br)cc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1	ZINC000002166253	551781776	/nfs/dbraw/zinc/78/17/76/551781776.db2.gz	ABUZXYCEOUQAHF-YSURURNPSA-N	0	1	553.581	6.972	50	30		KKEAMN
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000002173572	551782539	/nfs/dbraw/zinc/78/25/39/551782539.db2.gz	SFAIYCUSPDTFKU-UDWIEESQSA-N	0	1	579.545	5.808	50	30		KKEAMN
CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(I)c4O)ccc3o2)cc1	ZINC000002186523	551787541	/nfs/dbraw/zinc/78/75/41/551787541.db2.gz	DINOOIGUMANSKL-UVHMKAGCSA-N	0	1	530.793	7.507	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000002425729	552116741	/nfs/dbraw/zinc/11/67/41/552116741.db2.gz	UKODMAVGVHFVGM-UDNBHOFDSA-N	0	1	545.635	6.410	50	30		KKEAMN
Cc1cccc2oc(-c3cc(/N=C/c4ccc(OC(=O)c5ccc(Br)cc5)cc4)ccc3O)nc21	ZINC000003083608	552285843	/nfs/dbraw/zinc/28/58/43/552285843.db2.gz	FZBFKPZENTZFNX-OKCVXOCRSA-N	0	1	527.374	7.241	50	30		KKEAMN
Oc1cc2ccccc2cc1-c1nc2cc(/N=C/c3cc(Br)cc(Br)c3O)ccc2o1	ZINC000003083614	552285861	/nfs/dbraw/zinc/28/58/61/552285861.db2.gz	NRMHETLOMRGOQV-KKMKTNMSSA-N	0	1	538.195	7.335	50	30		KKEAMN
O=C(Oc1cccc(/C=N/c2ccc(O)c(-c3nc4ccccc4s3)c2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000003113314	552289903	/nfs/dbraw/zinc/28/99/03/552289903.db2.gz	WUQKTECNCFMHLH-RWPZCVJISA-N	0	1	540.513	6.455	50	30		KKEAMN
Cc1c(Cl)c(C)c(/C=N/c2ccc3oc(-c4cc(Cl)cc(Cl)c4)nc3c2)c(O)c1Br	ZINC000003114323	552290351	/nfs/dbraw/zinc/29/03/51/552290351.db2.gz	KZJRHGIWOLAUKC-OXUBWTJQSA-N	0	1	524.629	8.291	50	30		KKEAMN
CCOC(=O)c1c2c(sc1NC(=O)C(C#N)c1nc3ccccc3nc1Cl)C[C@H](c1ccccc1)CC2	ZINC000003259764	552325824	/nfs/dbraw/zinc/32/58/24/552325824.db2.gz	CGKADVNCVSBUIU-IEBWSBKVSA-N	0	1	531.037	6.040	50	30		KKEAMN
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)N(CCC#N)c1ccccc1	ZINC000003314161	552352899	/nfs/dbraw/zinc/35/28/99/552352899.db2.gz	BWNIRNRAXJGEAL-UHFFFAOYSA-N	0	1	533.650	5.197	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(OCc3ccc(C#N)cc3)C(=O)N2CCN(C)C)c1	ZINC000003334962	552360818	/nfs/dbraw/zinc/36/08/18/552360818.db2.gz	GYLJTBHZPNYWEG-SSEXGKCCSA-N	0	1	537.660	5.454	50	30		KKEAMN
Oc1c(I)cc(Br)cc1/C=N/c1ccc(-c2nc3ccccc3o2)cc1	ZINC000003658115	552405565	/nfs/dbraw/zinc/40/55/65/552405565.db2.gz	DDQRVBZTSKWWTD-FOKLQQMPSA-N	0	1	519.136	6.318	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1	ZINC000004017815	552428852	/nfs/dbraw/zinc/42/88/52/552428852.db2.gz	UUBVYZGLVGLRQZ-YSURURNPSA-N	0	1	600.581	6.814	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000005355651	552498886	/nfs/dbraw/zinc/49/88/86/552498886.db2.gz	VISQEGCSWZUJIJ-QHCPKHFHSA-N	0	1	550.633	5.599	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)c(C)c1	ZINC000005357225	552499716	/nfs/dbraw/zinc/49/97/16/552499716.db2.gz	AECKIEFARABMBS-OAQYLSRUSA-N	0	1	539.009	5.548	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(Cl)cc2)c(C)c1	ZINC000005357414	552499803	/nfs/dbraw/zinc/49/98/03/552499803.db2.gz	YATAZRHRDZEMHG-JOCHJYFZSA-N	0	1	553.036	5.938	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000005918812	552512059	/nfs/dbraw/zinc/51/20/59/552512059.db2.gz	VXJKOMADERUPBC-DNOBIOAJSA-N	0	1	517.578	5.569	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1	ZINC000005919153	552512319	/nfs/dbraw/zinc/51/23/19/552512319.db2.gz	YENSGDCFDIQIDN-XMMPIXPASA-N	0	1	564.660	5.907	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000005919159	552512399	/nfs/dbraw/zinc/51/23/99/552512399.db2.gz	VPMOTLDERGMULN-RUZDIDTESA-N	0	1	578.687	6.297	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)s1	ZINC000006143930	552545512	/nfs/dbraw/zinc/54/55/12/552545512.db2.gz	QXWULKYLVBTWDX-JOCHJYFZSA-N	0	1	503.967	6.075	50	30		KKEAMN
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1	ZINC000006146298	552548070	/nfs/dbraw/zinc/54/80/70/552548070.db2.gz	LWUWRAZSFARVOB-UHFFFAOYSA-N	0	1	530.400	5.187	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2ccc(Br)cc2)cc1	ZINC000006458989	552589983	/nfs/dbraw/zinc/58/99/83/552589983.db2.gz	VXTLJXDQZGXTHN-NRFANRHFSA-N	0	1	543.211	6.003	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000008383738	552987398	/nfs/dbraw/zinc/98/73/98/552987398.db2.gz	CJCDTGJIXYSXPQ-CHJDUVSTSA-N	0	1	554.643	5.103	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000008383735	552987408	/nfs/dbraw/zinc/98/74/08/552987408.db2.gz	CJCDTGJIXYSXPQ-RCRUUEGKSA-N	0	1	554.643	5.103	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000008384001	552988305	/nfs/dbraw/zinc/98/83/05/552988305.db2.gz	QGPYLERAELMBOD-MHZLTWQESA-N	0	1	595.702	7.233	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000008383994	552988350	/nfs/dbraw/zinc/98/83/50/552988350.db2.gz	QGPYLERAELMBOD-HHHXNRCGSA-N	0	1	595.702	7.233	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccccc3F)s2)cc1	ZINC000008384029	552988671	/nfs/dbraw/zinc/98/86/71/552988671.db2.gz	YYJHFDVMNJONQW-DEOSSOPVSA-N	0	1	557.628	6.807	50	30		KKEAMN
O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3ccc(Nc4c([N+](=O)[O-])cc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)cc2)c(O)c1	ZINC000008386876	552992815	/nfs/dbraw/zinc/99/28/15/552992815.db2.gz	WVRUEYVUZBNLHI-VULFUBBASA-N	0	1	544.436	6.186	50	30		KKEAMN
CCCCCCCCCCCCCCCCn1c2ccccc2nc1/N=C/c1cc(Cl)cc(Br)c1O	ZINC000008386916	552992903	/nfs/dbraw/zinc/99/29/03/552992903.db2.gz	SWVZQWUCPDLETA-GZZLJNBRSA-N	0	1	575.035	10.390	50	30		KKEAMN
COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000008398959	553000087	/nfs/dbraw/zinc/00/00/87/553000087.db2.gz	IUMUMPGNKFQTDX-MHZLTWQESA-N	0	1	536.459	7.851	50	30		KKEAMN
COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CSc2nc3ccccc3s2)cc1	ZINC000008426511	553018515	/nfs/dbraw/zinc/01/85/15/553018515.db2.gz	UXQHGUPWCKBVAY-LJAQVGFWSA-N	0	1	555.725	7.240	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Br)cc2)C1	ZINC000008430950	553022124	/nfs/dbraw/zinc/02/21/24/553022124.db2.gz	XKHPDMCEKBFEMC-SANMLTNESA-N	0	1	519.414	7.045	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Br)cc2)C1	ZINC000008430952	553022211	/nfs/dbraw/zinc/02/22/11/553022211.db2.gz	XKHPDMCEKBFEMC-AREMUKBSSA-N	0	1	519.414	7.045	50	30		KKEAMN
CCN(CC)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(Br)cc2)cc1	ZINC000008430984	553022231	/nfs/dbraw/zinc/02/22/31/553022231.db2.gz	BOUQXYPUWFZXJH-PMERELPUSA-N	0	1	572.547	7.752	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000008432421	553026040	/nfs/dbraw/zinc/02/60/40/553026040.db2.gz	RSEZBMBZLDGGCL-PVAZPRTOSA-N	0	1	592.658	8.204	50	30		KKEAMN
COc1cccc([C@@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1	ZINC000008432436	553026218	/nfs/dbraw/zinc/02/62/18/553026218.db2.gz	VWEZLJYQJVUPKD-GRMGDBHTSA-N	0	1	608.666	7.075	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000008433291	553028578	/nfs/dbraw/zinc/02/85/78/553028578.db2.gz	PICJHQSPVVXSLA-SSEXGKCCSA-N	0	1	556.659	5.487	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000008440512	553037723	/nfs/dbraw/zinc/03/77/23/553037723.db2.gz	ZTXAKGRTQNUERN-HXUWFJFHSA-N	0	1	528.428	5.571	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc(OC)c1OC	ZINC000008441149	553039816	/nfs/dbraw/zinc/03/98/16/553039816.db2.gz	YWKCDKDJTNSEAW-JOCHJYFZSA-N	0	1	548.573	5.209	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccs1	ZINC000008441213	553039973	/nfs/dbraw/zinc/03/99/73/553039973.db2.gz	WRLPSJVPFIQMMC-OAQYLSRUSA-N	0	1	531.640	6.421	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccccc3)s2)cc1	ZINC000008441272	553040063	/nfs/dbraw/zinc/04/00/63/553040063.db2.gz	HHGFSNOAYADHDT-XMMPIXPASA-N	0	1	539.638	6.668	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc(OC)c1OC	ZINC000008441243	553040110	/nfs/dbraw/zinc/04/01/10/553040110.db2.gz	JGAOJIZMHHEHMJ-VWLOTQADSA-N	0	1	615.689	6.385	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccc(O)cc1	ZINC000008441218	553040214	/nfs/dbraw/zinc/04/02/14/553040214.db2.gz	CRPJMSWAZJSHFV-QHCPKHFHSA-N	0	1	541.610	6.065	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1OCCC(C)C	ZINC000008441490	553040967	/nfs/dbraw/zinc/04/09/67/553040967.db2.gz	YJPKKOIEKGFSNF-AMAALNMCSA-N	0	1	535.637	5.201	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000008441540	553041162	/nfs/dbraw/zinc/04/11/62/553041162.db2.gz	MKWLIXCHQVOOJD-HHHXNRCGSA-N	0	1	533.577	5.407	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Oc3ccccc3)c2)s1	ZINC000008441811	553042500	/nfs/dbraw/zinc/04/25/00/553042500.db2.gz	OZHJIONCIYXNFC-XMMPIXPASA-N	0	1	509.543	6.168	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2F)cc1	ZINC000008444277	553049772	/nfs/dbraw/zinc/04/97/72/553049772.db2.gz	ZZFDIIOKYITCBC-WJOKGBTCSA-N	0	1	526.652	7.852	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2ccc(F)cc2)cc1	ZINC000008444545	553050772	/nfs/dbraw/zinc/05/07/72/553050772.db2.gz	LHVCUCBFYKJEEH-SLGOVJDISA-N	0	1	508.637	7.434	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@@H](c4cccc([N+](=O)[O-])c4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000008445099	553053168	/nfs/dbraw/zinc/05/31/68/553053168.db2.gz	WNQZKLOIWQPZNA-GPNASLBKSA-N	0	1	545.595	6.818	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3OCCC)C2)[C@@H]1c1ccc(OC)cc1	ZINC000008445117	553053175	/nfs/dbraw/zinc/05/31/75/553053175.db2.gz	PVFPRHNXQAMJFF-FEERPNRMSA-N	0	1	552.715	7.965	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@H](c4cccc([N+](=O)[O-])c4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000008445098	553053193	/nfs/dbraw/zinc/05/31/93/553053193.db2.gz	WNQZKLOIWQPZNA-BNHRFMORSA-N	0	1	545.595	6.818	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000008450863	553059445	/nfs/dbraw/zinc/05/94/45/553059445.db2.gz	ZQFLMJNTMHUAJG-WKRVVKTRSA-N	0	1	544.051	7.729	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000008450860	553059525	/nfs/dbraw/zinc/05/95/25/553059525.db2.gz	ZQFLMJNTMHUAJG-UVDDSOTQSA-N	0	1	544.051	7.729	50	30		KKEAMN
CC[C@H](C)Oc1ccccc1[C@@H]1C2=C(C[C@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(C)=O	ZINC000008695582	553122160	/nfs/dbraw/zinc/12/21/60/553122160.db2.gz	BWKVHCZHZKCQPZ-DYOQGSCQSA-N	0	1	540.660	6.802	50	30		KKEAMN
Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccccc3Cl)C2)cc1	ZINC000008695601	553122419	/nfs/dbraw/zinc/12/24/19/553122419.db2.gz	JIOPGTXJOJRDLA-DWXRJYCRSA-N	0	1	510.943	7.111	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC	ZINC000008744165	553133851	/nfs/dbraw/zinc/13/38/51/553133851.db2.gz	QOMICXQFMDFZTH-HSZRJFAPSA-N	0	1	504.564	5.642	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000008766792	553139190	/nfs/dbraw/zinc/13/91/90/553139190.db2.gz	FPEQESNVIKODGI-ACSYHNTCSA-N	0	1	520.551	7.025	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Br)cc2)cc1C	ZINC000008816826	553152053	/nfs/dbraw/zinc/15/20/53/553152053.db2.gz	KQEIQBAZGKNQKI-QHCPKHFHSA-N	0	1	515.448	5.076	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Br)cc2)cc1C	ZINC000008816826	553152056	/nfs/dbraw/zinc/15/20/56/553152056.db2.gz	KQEIQBAZGKNQKI-QHCPKHFHSA-N	0	1	515.448	5.076	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C	ZINC000008836076	553162801	/nfs/dbraw/zinc/16/28/01/553162801.db2.gz	YNVLOYNXWUTHNM-NRFANRHFSA-N	0	1	508.571	5.674	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1cccnc1	ZINC000008846352	553166141	/nfs/dbraw/zinc/16/61/41/553166141.db2.gz	SGFYSGLIADLYHD-JQJBXXCASA-N	0	1	521.705	7.860	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1cccs1	ZINC000008846357	553166167	/nfs/dbraw/zinc/16/61/67/553166167.db2.gz	KOSGRGSZYAPMSN-JPQMRUPTSA-N	0	1	526.746	8.527	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OC	ZINC000008859674	553169925	/nfs/dbraw/zinc/16/99/25/553169925.db2.gz	OTOYMTUVLKVGOQ-DEOSSOPVSA-N	0	1	509.990	5.003	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(OC)c1	ZINC000008916664	553186777	/nfs/dbraw/zinc/18/67/77/553186777.db2.gz	FIGNKWDRYFQGOP-JPQMRUPTSA-N	0	1	529.080	7.830	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000008934687	553192957	/nfs/dbraw/zinc/19/29/57/553192957.db2.gz	SJILFHRKTKJXMW-HHHXNRCGSA-N	0	1	520.670	5.074	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000008987741	553196609	/nfs/dbraw/zinc/19/66/09/553196609.db2.gz	NPVWKIQPMIWUTN-NRFANRHFSA-N	0	1	505.508	5.288	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000009007740	553198316	/nfs/dbraw/zinc/19/83/16/553198316.db2.gz	LTGKZKZRAVRCDE-HSZRJFAPSA-N	0	1	520.563	5.397	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000009007835	553198368	/nfs/dbraw/zinc/19/83/68/553198368.db2.gz	QMYNPBTWXPFPNE-QFIPXVFZSA-N	0	1	506.967	5.750	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccc(Br)c2)cc1C	ZINC000009019885	553201241	/nfs/dbraw/zinc/20/12/41/553201241.db2.gz	LQQPXPGJDIBOIZ-QFIPXVFZSA-N	0	1	502.405	5.161	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(Br)cc2)cc1C	ZINC000009019993	553201255	/nfs/dbraw/zinc/20/12/55/553201255.db2.gz	XBJAXKCDQQYSNZ-JOCHJYFZSA-N	0	1	502.405	5.161	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl	ZINC000009044871	553203228	/nfs/dbraw/zinc/20/32/28/553203228.db2.gz	RYKZXAJIWQKOQX-OAQYLSRUSA-N	0	1	514.987	5.222	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(F)cc1	ZINC000009046621	553204054	/nfs/dbraw/zinc/20/40/54/553204054.db2.gz	NWQIHAFITVJCBY-NDEPHWFRSA-N	0	1	508.549	5.887	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1	ZINC000009046671	553204247	/nfs/dbraw/zinc/20/42/47/553204247.db2.gz	GTWXQOQQJNXUCN-FQEVSTJZSA-N	0	1	509.381	6.052	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC	ZINC000009046760	553204306	/nfs/dbraw/zinc/20/43/06/553204306.db2.gz	FSQVDLNSOVYWPR-JOCHJYFZSA-N	0	1	508.502	5.375	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC	ZINC000009069827	553206901	/nfs/dbraw/zinc/20/69/01/553206901.db2.gz	KZCOOLLEJXOUQU-FQEVSTJZSA-N	0	1	514.987	5.222	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1Cl	ZINC000009071434	553207038	/nfs/dbraw/zinc/20/70/38/553207038.db2.gz	XOQODQCTXPSPKB-QFIPXVFZSA-N	0	1	500.382	5.257	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000009071474	553207055	/nfs/dbraw/zinc/20/70/55/553207055.db2.gz	YXHZREKTGZUQFT-QHCPKHFHSA-N	0	1	520.538	5.244	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000009123690	553212554	/nfs/dbraw/zinc/21/25/54/553212554.db2.gz	SLGPIHUOXWEWRG-NRFANRHFSA-N	0	1	511.386	6.395	50	30		KKEAMN
COc1ccc(/C=N/c2cccc(C3=NN(c4ccccc4)[C@@H](c4ccc(Br)cc4)C3)c2)cc1	ZINC000009183422	553216610	/nfs/dbraw/zinc/21/66/10/553216610.db2.gz	AIKLOCPDGOFHGR-NQFKHPPRSA-N	0	1	510.435	7.564	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccccc2Cl)no1	ZINC000009186653	553217714	/nfs/dbraw/zinc/21/77/14/553217714.db2.gz	BURYFSGWUQDQKY-FQEVSTJZSA-N	0	1	515.791	6.171	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000009209862	553220497	/nfs/dbraw/zinc/22/04/97/553220497.db2.gz	QYXJAZRTZNDPFJ-HSZRJFAPSA-N	0	1	524.415	5.103	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C	ZINC000009244257	553227000	/nfs/dbraw/zinc/22/70/00/553227000.db2.gz	HUJMGIXGKXFMLH-FQEVSTJZSA-N	0	1	508.596	5.610	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1	ZINC000009243836	553227104	/nfs/dbraw/zinc/22/71/04/553227104.db2.gz	LBRFWYAWVAFTCV-AREMUKBSSA-N	0	1	514.509	5.493	50	30		KKEAMN
COc1ccccc1[C@@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)Nc1ccccc1	ZINC000009264334	553229109	/nfs/dbraw/zinc/22/91/09/553229109.db2.gz	INDBITLVUBZOOY-WENCNXQZSA-N	0	1	505.574	6.894	50	30		KKEAMN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@@H]3c2cccnc2)cc1	ZINC000009273071	553232015	/nfs/dbraw/zinc/23/20/15/553232015.db2.gz	MBCOPNVYBJMEDN-RCUBAKFLSA-N	0	1	511.625	7.004	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000009272895	553232104	/nfs/dbraw/zinc/23/21/04/553232104.db2.gz	XDASVYPVOPYBOQ-HXUWFJFHSA-N	0	1	502.832	6.050	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)ccc1OCCC(C)C	ZINC000009290666	553234459	/nfs/dbraw/zinc/23/44/59/553234459.db2.gz	OUTUAEUVFBLWMM-PIIWDFAUSA-N	0	1	537.653	5.448	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000009292792	553235143	/nfs/dbraw/zinc/23/51/43/553235143.db2.gz	CIZDZDPOHMSWPQ-RBTNQOKQSA-N	0	1	529.637	5.444	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000009292831	553235352	/nfs/dbraw/zinc/23/53/52/553235352.db2.gz	PXDNLJQCWHHTAZ-GDJIYFAZSA-N	0	1	526.589	5.147	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCOC)ccc1OCCC(C)C	ZINC000009308647	553237436	/nfs/dbraw/zinc/23/74/36/553237436.db2.gz	NUYXWPSJTRIQOY-PPHZAIPVSA-N	0	1	523.626	5.058	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)cc1OCC	ZINC000009308823	553237739	/nfs/dbraw/zinc/23/77/39/553237739.db2.gz	AUPDNFBQXZWBKL-MMTVBGGISA-N	0	1	537.653	5.593	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)cc1OCC	ZINC000009312457	553240311	/nfs/dbraw/zinc/24/03/11/553240311.db2.gz	DUXFRUFYODTBKZ-PPHZAIPVSA-N	0	1	523.626	5.202	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC	ZINC000009329206	553242284	/nfs/dbraw/zinc/24/22/84/553242284.db2.gz	KTHRUTZRWJENTO-SANMLTNESA-N	0	1	520.582	5.742	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1	ZINC000009339485	553243443	/nfs/dbraw/zinc/24/34/43/553243443.db2.gz	BWKNQUILICCDQP-GDLZYMKVSA-N	0	1	526.677	6.011	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(OC)c3OC)sc2c1	ZINC000009339561	553243690	/nfs/dbraw/zinc/24/36/90/553243690.db2.gz	YBZDPECCCBQMQD-HXUWFJFHSA-N	0	1	508.577	5.167	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1	ZINC000009353260	553245366	/nfs/dbraw/zinc/24/53/66/553245366.db2.gz	VPQGCEFPWPXNKK-QFIPXVFZSA-N	0	1	503.511	5.743	50	30		KKEAMN
Clc1ccc2nc(N=NCc3cn(-c4ccccc4)nc3-c3ccccc3)cc(-c3ccccc3)c2c1	ZINC000009354520	553246027	/nfs/dbraw/zinc/24/60/27/553246027.db2.gz	CWGSCGMIPQIWPJ-FMFFXOCNSA-N	0	1	500.005	7.854	50	30		KKEAMN
Clc1ccc2[nH]c(=NN=Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc(-c3ccccc3)c2c1	ZINC000009354520	553246028	/nfs/dbraw/zinc/24/60/28/553246028.db2.gz	CWGSCGMIPQIWPJ-FMFFXOCNSA-N	0	1	500.005	7.854	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000009357921	553247200	/nfs/dbraw/zinc/24/72/00/553247200.db2.gz	COLFFLHIHXVIMJ-ZTOMLWHTSA-N	0	1	510.565	5.923	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OCc2ccccc2)c1	ZINC000009360017	553248187	/nfs/dbraw/zinc/24/81/87/553248187.db2.gz	SEHOZOUHLMOGPG-MMTVBGGISA-N	0	1	513.590	5.204	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccnc3)s2)cc1	ZINC000009360151	553248372	/nfs/dbraw/zinc/24/83/72/553248372.db2.gz	HLMNRKAHONXZGV-NRFANRHFSA-N	0	1	500.605	5.317	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000009374341	553250663	/nfs/dbraw/zinc/25/06/63/553250663.db2.gz	KMCSIUWOIDKXID-LJAQVGFWSA-N	0	1	527.661	6.486	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(Cl)c(Cl)c2)s1	ZINC000009373846	553250711	/nfs/dbraw/zinc/25/07/11/553250711.db2.gz	HNNJYIFHCVQULG-GIGQVBGESA-N	0	1	502.379	5.260	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000009374769	553250987	/nfs/dbraw/zinc/25/09/87/553250987.db2.gz	KOVKXBLIVCGHNP-HHHXNRCGSA-N	0	1	514.578	5.056	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCOC)cc1	ZINC000009380510	553251769	/nfs/dbraw/zinc/25/17/69/553251769.db2.gz	GAUYAKUYMONNGV-MUUNZHRXSA-N	0	1	515.606	5.588	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000009412335	553257667	/nfs/dbraw/zinc/25/76/67/553257667.db2.gz	WYTOLSQVLLPQPV-GDJIYFAZSA-N	0	1	526.589	5.147	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000009424108	553258535	/nfs/dbraw/zinc/25/85/35/553258535.db2.gz	WYPQMFIZGKUXSP-AFJIDDCJSA-N	0	1	527.617	5.628	50	30		KKEAMN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(OCc3ccccc3)cc2)no1	ZINC000009424746	553258875	/nfs/dbraw/zinc/25/88/75/553258875.db2.gz	QCLIZSXSADCQLC-RUZDIDTESA-N	0	1	500.938	5.998	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000009425167	553259347	/nfs/dbraw/zinc/25/93/47/553259347.db2.gz	FYNICPPOUHRZRE-AREMUKBSSA-N	0	1	519.550	5.017	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1	ZINC000009436557	553264537	/nfs/dbraw/zinc/26/45/37/553264537.db2.gz	HWWRTYPEFIDGNN-JCQPUDPBSA-N	0	1	504.514	5.681	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000009451971	553265993	/nfs/dbraw/zinc/26/59/93/553265993.db2.gz	XZJUZLTUJQZCLF-QLXKLKPCSA-N	0	1	503.551	5.179	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000009452432	553266163	/nfs/dbraw/zinc/26/61/63/553266163.db2.gz	XHIHZJQZQIJPBJ-GDLZYMKVSA-N	0	1	527.617	5.848	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCOC)cc1	ZINC000009461115	553267303	/nfs/dbraw/zinc/26/73/03/553267303.db2.gz	GBXPMJKJJCVMOE-MUUNZHRXSA-N	0	1	515.606	5.588	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000009462583	553268550	/nfs/dbraw/zinc/26/85/50/553268550.db2.gz	NLLGBTIKPGBQOU-AREMUKBSSA-N	0	1	505.998	5.842	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000009470856	553269752	/nfs/dbraw/zinc/26/97/52/553269752.db2.gz	ABEMMMKQESHULE-NDEPHWFRSA-N	0	1	513.590	5.458	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCOC)cc1OC	ZINC000009477481	553272457	/nfs/dbraw/zinc/27/24/57/553272457.db2.gz	HOUSFGURZSAJLA-NDEPHWFRSA-N	0	1	531.605	5.206	50	30		KKEAMN
Oc1ccccc1CN=Nc1nc(N=NCc2ccccc2O)nc(N(c2ccccc2)c2ccccc2)n1	ZINC000009519978	553276866	/nfs/dbraw/zinc/27/68/66/553276866.db2.gz	YIYSHMXLISGXNO-LVXWCJCWSA-N	0	1	516.565	5.645	50	30		KKEAMN
CCc1ccc2oc(-c3cccc(/N=C/c4cc(Br)cc(Br)c4O)c3)nc2c1	ZINC000009678624	553295786	/nfs/dbraw/zinc/29/57/86/553295786.db2.gz	HEXFWFMRXONVMO-BRJLIKDPSA-N	0	1	500.190	7.038	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)cc1C	ZINC000009994093	553324760	/nfs/dbraw/zinc/32/47/60/553324760.db2.gz	UGEDZZPHQOPNKL-OAQYLSRUSA-N	0	1	522.554	5.033	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000012411379	553363344	/nfs/dbraw/zinc/36/33/44/553363344.db2.gz	FANTWRKFOPMDJF-UPCLLVRISA-N	0	1	526.611	5.321	50	30		KKEAMN
O=C(C1CCCCC1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000012652277	553409707	/nfs/dbraw/zinc/40/97/07/553409707.db2.gz	HVSKWFHAESDUSP-ONOMSOESSA-N	0	1	501.026	7.414	50	30		KKEAMN
COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)Cc1cccs1	ZINC000012652419	553410057	/nfs/dbraw/zinc/41/00/57/553410057.db2.gz	DBOUWILPLQGQAT-HZAQMHFWSA-N	0	1	510.615	6.493	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)cc1Cl	ZINC000013552627	553470969	/nfs/dbraw/zinc/47/09/69/553470969.db2.gz	LVUNRMFUSKXNKD-LJQANCHMSA-N	0	1	503.736	5.190	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000013570372	553473651	/nfs/dbraw/zinc/47/36/51/553473651.db2.gz	HDPWQUIQAOTCAU-RUZDIDTESA-N	0	1	501.539	5.256	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C	ZINC000013570524	553473679	/nfs/dbraw/zinc/47/36/79/553473679.db2.gz	LKNBXLFCLOYTMW-HSZRJFAPSA-N	0	1	506.426	6.096	50	30		KKEAMN
CC(C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000013685428	553485088	/nfs/dbraw/zinc/48/50/88/553485088.db2.gz	KOKHMMWSJBZRGK-RUZDIDTESA-N	0	1	505.622	5.100	50	30		KKEAMN
Cc1cc(C)c(/N=C2\[C@@H](N3CCCCC3)C3(CCCCC3)C(=S)N2c2cccc(C(F)(F)F)c2)c(C)c1	ZINC000015861777	553537849	/nfs/dbraw/zinc/53/78/49/553537849.db2.gz	ROEANYSMJLBQAO-USBPOQAUSA-N	0	1	527.700	8.313	50	30		KKEAMN
CC1(C)C(=S)N(c2cccc(C(F)(F)F)c2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@@H]1N1CCCCC1	ZINC000015861679	553537854	/nfs/dbraw/zinc/53/78/54/553537854.db2.gz	ITUFTNDCJGEIMD-DHLMGKHISA-N	0	1	503.678	7.101	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000016713780	553575332	/nfs/dbraw/zinc/57/53/32/553575332.db2.gz	BFYZIEYIIFVLCY-GDLZYMKVSA-N	0	1	528.649	5.962	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000016713780	553575335	/nfs/dbraw/zinc/57/53/35/553575335.db2.gz	BFYZIEYIIFVLCY-GDLZYMKVSA-N	0	1	528.649	5.962	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000016713800	553575446	/nfs/dbraw/zinc/57/54/46/553575446.db2.gz	FUIZQMMOFKCRBN-HSZRJFAPSA-N	0	1	505.442	5.477	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000016713800	553575449	/nfs/dbraw/zinc/57/54/49/553575449.db2.gz	FUIZQMMOFKCRBN-HSZRJFAPSA-N	0	1	505.442	5.477	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000016729900	553576081	/nfs/dbraw/zinc/57/60/81/553576081.db2.gz	UCDSTHJBBOJQSA-CUBQBAPOSA-N	0	1	537.653	5.666	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F	ZINC000016731120	553577127	/nfs/dbraw/zinc/57/71/27/553577127.db2.gz	QAQSTTFSUHNLSL-MUUNZHRXSA-N	0	1	508.549	5.887	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2cccnc2)cc1	ZINC000016731232	553577137	/nfs/dbraw/zinc/57/71/37/553577137.db2.gz	IZZDCNRMCIZSGN-SANMLTNESA-N	0	1	504.558	5.577	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(Br)cc2)cc1Cl	ZINC000016733226	553577926	/nfs/dbraw/zinc/57/79/26/553577926.db2.gz	SXTKEPGTQDKLPO-FQEVSTJZSA-N	0	1	508.796	5.116	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1Cl	ZINC000016733540	553578197	/nfs/dbraw/zinc/57/81/97/553578197.db2.gz	LNZKSDBEVFPCOW-NRFANRHFSA-N	0	1	506.769	6.417	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2ccncc2)cc1	ZINC000016741409	553579737	/nfs/dbraw/zinc/57/97/37/553579737.db2.gz	RSOUSGPYFCGRLH-MHZLTWQESA-N	0	1	516.594	5.446	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000016741415	553579767	/nfs/dbraw/zinc/57/97/67/553579767.db2.gz	SHDUSANTIQGSEP-YIXXDRMTSA-N	0	1	513.546	5.007	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccnc2)cc1	ZINC000016742030	553580047	/nfs/dbraw/zinc/58/00/47/553580047.db2.gz	OZTKTTMOKXUMOE-OAQYLSRUSA-N	0	1	516.604	5.017	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000016742457	553580453	/nfs/dbraw/zinc/58/04/53/553580453.db2.gz	YHFCDGOWUSUZQJ-XMMPIXPASA-N	0	1	512.543	5.490	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000016742458	553580460	/nfs/dbraw/zinc/58/04/60/553580460.db2.gz	YHFCDGOWUSUZQJ-DEOSSOPVSA-N	0	1	512.543	5.490	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(O)c2)cc1	ZINC000017207548	553590653	/nfs/dbraw/zinc/59/06/53/553590653.db2.gz	BZJUZTXWEWSHKQ-MUUNZHRXSA-N	0	1	506.558	5.453	50	30		KKEAMN
Cc1cc(C)nc(NC(=NC(=O)Nc2ccc(Cl)c(Cl)c2)N2CCC(Cc3ccccc3)CC2)n1	ZINC000017780721	553599666	/nfs/dbraw/zinc/59/96/66/553599666.db2.gz	BMABQSKEYAHAAC-UHFFFAOYSA-N	0	1	511.457	6.355	50	30		KKEAMN
CC[C@H](C)Oc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(C)=O	ZINC000070673580	553603656	/nfs/dbraw/zinc/60/36/56/553603656.db2.gz	BWKVHCZHZKCQPZ-XEEJJMCUSA-N	0	1	540.660	6.802	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1	ZINC000018105966	553604497	/nfs/dbraw/zinc/60/44/97/553604497.db2.gz	KFWHLJAZLWQBRL-CYFIQEHSSA-N	0	1	528.652	7.576	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(C)=O)cc1	ZINC000018144810	553606260	/nfs/dbraw/zinc/60/62/60/553606260.db2.gz	ZQACNVBXLYLHJI-CHJDUVSTSA-N	0	1	526.589	5.411	50	30	biogenic	KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccc(Cl)cc2)cc1OC	ZINC000018172530	553607221	/nfs/dbraw/zinc/60/72/21/553607221.db2.gz	AVAHFWFFLUFJHE-ACSYHNTCSA-N	0	1	502.998	6.278	50	30		KKEAMN
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](CN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C(=O)O[C@@H]1C2	ZINC000070687826	553607553	/nfs/dbraw/zinc/60/75/53/553607553.db2.gz	XYVTWDNTBKSHPD-KIFYEBFYSA-N	0	1	536.663	5.199	50	30	biogenic	KKEAMN
CCCCOc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)[C@@H](CC)CCCC)c1	ZINC000018180744	553607712	/nfs/dbraw/zinc/60/77/12/553607712.db2.gz	KGYMHKNNSBSTMO-GTYOFVGBSA-N	0	1	516.726	8.225	50	30		KKEAMN
CCCCOc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)[C@@H](CC)CCCC)c1	ZINC000018180741	553607736	/nfs/dbraw/zinc/60/77/36/553607736.db2.gz	KGYMHKNNSBSTMO-FWUCURJTSA-N	0	1	516.726	8.225	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000018250761	553611634	/nfs/dbraw/zinc/61/16/34/553611634.db2.gz	QPJFBALCNWJORW-WKRVVKTRSA-N	0	1	527.596	7.215	50	30		KKEAMN
N#Cc1ccc([C@@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1	ZINC000018254431	553611640	/nfs/dbraw/zinc/61/16/40/553611640.db2.gz	SNIBPKOEDAGUPW-SMSORMJASA-N	0	1	519.601	6.973	50	30		KKEAMN
N#Cc1c2c(c(N3CCN([C@H](c4ccccc4)c4ccccc4Cl)CC3)n3c4ccccc4nc13)CCC2	ZINC000019790532	553616410	/nfs/dbraw/zinc/61/64/10/553616410.db2.gz	HTWLRSACBJZYOY-SSEXGKCCSA-N	0	1	518.064	6.413	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020233057	553618839	/nfs/dbraw/zinc/61/88/39/553618839.db2.gz	WDNJGOGOTQGZDH-GDLZYMKVSA-N	0	1	528.649	5.503	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1OCC	ZINC000020518395	553668652	/nfs/dbraw/zinc/66/86/52/553668652.db2.gz	YNNHJFSZFGATNL-PIIWDFAUSA-N	0	1	536.669	5.118	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4cc(OC)c(OC)c(OC)c4)C3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000079210047	553670254	/nfs/dbraw/zinc/67/02/54/553670254.db2.gz	VGPDRXMMBPXTSF-QSSUKDSPSA-N	0	1	740.806	6.978	50	30	biogenic	KKEAMN
C=CCOc1ccc2c(c1)C(=NNc1ccc3c(Cl)cc(Cl)c(O)c3n1)c1cc(OCC=C)ccc1-2	ZINC000020615563	553679597	/nfs/dbraw/zinc/67/95/97/553679597.db2.gz	BLNPVGHAFGDASC-UHFFFAOYSA-N	0	1	518.400	7.222	50	30		KKEAMN
C=CCN1CC[C@@]23c4c5c(OC(=O)CCCCCCCCCCCCCC)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@H]3O5	ZINC000085893475	553690396	/nfs/dbraw/zinc/69/03/96/553690396.db2.gz	AGIALSQRFZTBOP-RAWUVJNISA-N	0	1	551.768	6.592	50	30	biogenic	KKEAMN
Cc1ccc(C)c(CSc2nc3n(n2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N3)c1	ZINC000020850611	553699948	/nfs/dbraw/zinc/69/99/48/553699948.db2.gz	VARRSJMUGKNDNP-QHCPKHFHSA-N	0	1	513.494	7.152	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000095483804	553702142	/nfs/dbraw/zinc/70/21/42/553702142.db2.gz	MEWYSNOZHBLNPL-XMMPIXPASA-N	0	1	509.990	5.003	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000095892002	553714694	/nfs/dbraw/zinc/71/46/94/553714694.db2.gz	PYYQKQLMMBKIRL-HSZRJFAPSA-N	0	1	524.415	5.103	50	30		KKEAMN
C=C(C)COc1c(OC)cccc1[C@@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21	ZINC000096114601	553725356	/nfs/dbraw/zinc/72/53/56/553725356.db2.gz	IJSMTWMIPNTWQJ-SFHVURJKSA-N	0	1	500.503	5.276	50	30	biogenic	KKEAMN
C=C(C)COc1c(OC)cccc1[C@@H]1CC(=O)Oc2c(O)c(=O)c3c(O)cc(-c4ccccc4)oc-3c21	ZINC000096114601	553725358	/nfs/dbraw/zinc/72/53/58/553725358.db2.gz	IJSMTWMIPNTWQJ-SFHVURJKSA-N	0	1	500.503	5.276	50	30	biogenic	KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Cl)c2)cc1Cl	ZINC000096299845	553748742	/nfs/dbraw/zinc/74/87/42/553748742.db2.gz	TXMDMOSDDYJOIA-JOCHJYFZSA-N	0	1	500.382	5.257	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939622	553759973	/nfs/dbraw/zinc/75/99/73/553759973.db2.gz	BPUAFEQTSKMMFP-XHCCPWGMSA-N	0	1	560.628	5.866	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939696	553760406	/nfs/dbraw/zinc/76/04/06/553760406.db2.gz	RCAKPRFFNSDLFX-UZTOHYMASA-N	0	1	560.628	5.518	50	30		KKEAMN
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@@H]2c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1	ZINC000097939705	553760498	/nfs/dbraw/zinc/76/04/98/553760498.db2.gz	NWZXCVXQIKRQCP-XRHLQHRESA-N	0	1	576.627	5.484	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2c2ccc(F)cc2)C1	ZINC000097945358	553771707	/nfs/dbraw/zinc/77/17/07/553771707.db2.gz	TVHWFZQQWXXTEP-SANMLTNESA-N	0	1	524.423	7.981	50	30		KKEAMN
CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccc(Cl)cc1Cl	ZINC000097945652	553773673	/nfs/dbraw/zinc/77/36/73/553773673.db2.gz	PGQPWJLEXVHILY-WENCNXQZSA-N	0	1	533.499	8.211	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@@H]1c1cccc(Br)c1	ZINC000097948211	553792033	/nfs/dbraw/zinc/79/20/33/553792033.db2.gz	TWUNGQXFURUYFL-BNHRFMORSA-N	0	1	557.532	8.238	50	30		KKEAMN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc(Br)c2)cc1	ZINC000097948324	553793212	/nfs/dbraw/zinc/79/32/12/553793212.db2.gz	GFOTYEIGTPUQFY-GOXGLGGOSA-N	0	1	563.495	7.972	50	30		KKEAMN
COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000097948910	553797614	/nfs/dbraw/zinc/79/76/14/553797614.db2.gz	FWPWYRSXUVWAGO-WEZXKFLESA-N	0	1	614.695	6.049	50	30		KKEAMN
CC(C)(C)c1cc([C@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc(C(C)(C)C)c1O	ZINC000097948971	553798230	/nfs/dbraw/zinc/79/82/30/553798230.db2.gz	JHRDMCPAFWRGOW-HUBRWUETSA-N	0	1	622.806	9.402	50	30		KKEAMN
COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000097949088	553799320	/nfs/dbraw/zinc/79/93/20/553799320.db2.gz	HTHYMTDULWXGKP-JWRCQZCYSA-N	0	1	642.627	6.201	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C	ZINC000097951305	553808105	/nfs/dbraw/zinc/80/81/05/553808105.db2.gz	VDRIMISVEOKQGD-MHZLTWQESA-N	0	1	546.620	5.373	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000097951656	553810519	/nfs/dbraw/zinc/81/05/19/553810519.db2.gz	RWWFUDKEKKZVSK-AREMUKBSSA-N	0	1	540.443	6.496	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000097952209	553813777	/nfs/dbraw/zinc/81/37/77/553813777.db2.gz	BCQHHVRTVGSKDP-XMMPIXPASA-N	0	1	527.558	5.722	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccco2)cc1	ZINC000097952191	553813812	/nfs/dbraw/zinc/81/38/12/553813812.db2.gz	YWGQJLVWIHVMME-MUUNZHRXSA-N	0	1	537.568	5.732	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000026459107	553818543	/nfs/dbraw/zinc/81/85/43/553818543.db2.gz	TZAFPMZIHSJRFW-AREMUKBSSA-N	0	1	523.557	5.783	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097953048	553818868	/nfs/dbraw/zinc/81/88/68/553818868.db2.gz	NRSQCUIRNSRHIV-UDNBHOFDSA-N	0	1	545.635	6.410	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000097953016	553818953	/nfs/dbraw/zinc/81/89/53/553818953.db2.gz	NJZVODNBRZHWFD-NDEPHWFRSA-N	0	1	547.604	5.797	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)sc2c1	ZINC000097954007	553820516	/nfs/dbraw/zinc/82/05/16/553820516.db2.gz	SFEXJRAVXNOJHU-XMMPIXPASA-N	0	1	532.549	5.388	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1	ZINC000097954051	553821041	/nfs/dbraw/zinc/82/10/41/553821041.db2.gz	CGHAIYPQEJDVSX-XMMPIXPASA-N	0	1	548.617	5.387	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccs3)sc2c1	ZINC000097954033	553821046	/nfs/dbraw/zinc/82/10/46/553821046.db2.gz	XJXDNXBSXVXVHM-QFIPXVFZSA-N	0	1	520.588	5.311	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000097954166	553821578	/nfs/dbraw/zinc/82/15/78/553821578.db2.gz	CMQBZDACFWOFTQ-JRPXNJEYSA-N	0	1	541.644	6.366	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCOC)ccc1OCc1ccccc1	ZINC000097954195	553821864	/nfs/dbraw/zinc/82/18/64/553821864.db2.gz	SJTHBNNJFSFNRK-ACSYHNTCSA-N	0	1	543.616	5.212	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000097954415	553822819	/nfs/dbraw/zinc/82/28/19/553822819.db2.gz	RAPSEPAVQXGILY-DFXYEROKSA-N	0	1	541.644	6.366	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O	ZINC000097955057	553827841	/nfs/dbraw/zinc/82/78/41/553827841.db2.gz	OUFQQDVSJKWBMO-RZFZLAGVSA-N	0	1	549.004	5.770	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097955159	553829093	/nfs/dbraw/zinc/82/90/93/553829093.db2.gz	GJHVHEAQXNVGJE-DFXYEROKSA-N	0	1	541.644	6.019	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097955152	553829160	/nfs/dbraw/zinc/82/91/60/553829160.db2.gz	OQDXHXHTRSTLSH-DFXYEROKSA-N	0	1	532.596	5.763	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097955250	553830399	/nfs/dbraw/zinc/83/03/99/553830399.db2.gz	FVPXETVHVVYOPQ-UDNBHOFDSA-N	0	1	569.698	6.799	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000097955612	553832048	/nfs/dbraw/zinc/83/20/48/553832048.db2.gz	RMWCCLOOBRJDTN-PBBNMVCDSA-N	0	1	535.600	5.667	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc(Br)c1O	ZINC000097955647	553832403	/nfs/dbraw/zinc/83/24/03/553832403.db2.gz	KHFKIBALSXSCIY-OWJWWREXSA-N	0	1	550.405	5.265	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OC	ZINC000097955708	553833117	/nfs/dbraw/zinc/83/31/17/553833117.db2.gz	FZJADHXKGAOPQK-NGOKVRLYSA-N	0	1	545.636	5.063	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OC	ZINC000097955705	553833124	/nfs/dbraw/zinc/83/31/24/553833124.db2.gz	FZJADHXKGAOPQK-WTYVLRPYSA-N	0	1	545.636	5.063	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000097955758	553833519	/nfs/dbraw/zinc/83/35/19/553833519.db2.gz	GZTNQWAAWSLBJQ-ACSYHNTCSA-N	0	1	542.632	5.761	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000097956223	553837084	/nfs/dbraw/zinc/83/70/84/553837084.db2.gz	MMFSSAASUWTSEJ-NDEPHWFRSA-N	0	1	535.556	5.656	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC=C)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C	ZINC000097956861	553842736	/nfs/dbraw/zinc/84/27/36/553842736.db2.gz	FFTWLGZPWPGMRA-HSZRJFAPSA-N	0	1	548.592	5.590	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC	ZINC000029747941	553849209	/nfs/dbraw/zinc/84/92/09/553849209.db2.gz	IFVRPRCKRJDAKN-WRGVRERRSA-N	0	1	599.640	5.635	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC	ZINC000029747945	553849242	/nfs/dbraw/zinc/84/92/42/553849242.db2.gz	IFVRPRCKRJDAKN-KEEVHDRGSA-N	0	1	599.640	5.635	50	30		KKEAMN
O=C(Nc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1)c1ccc(Br)cc1	ZINC000097958525	553855560	/nfs/dbraw/zinc/85/55/60/553855560.db2.gz	YPNWNWJWMKGUJM-BHGWPJFGSA-N	0	1	553.048	6.683	50	30		KKEAMN
CCN(CC)c1ccc(C=[NH+][N-]c2nc(-c3ccc(C)cc3)c(NC(=O)c3ccc(F)cc3)s2)cc1	ZINC000031829217	553862121	/nfs/dbraw/zinc/86/21/21/553862121.db2.gz	CRDLUNPCMZMLKQ-YKQZZPSBSA-N	0	1	501.631	6.802	50	30		KKEAMN
COc1ccc2[nH]cc(CCNC(=Nc3nc(C)cc(C)n3)NC(O)=CSc3nc4ccccc4s3)c2c1	ZINC000097961810	553880814	/nfs/dbraw/zinc/88/08/14/553880814.db2.gz	NAZMECULNYWMST-UHFFFAOYSA-N	0	1	545.694	5.112	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000097966802	553910339	/nfs/dbraw/zinc/91/03/39/553910339.db2.gz	SZSIFYPSIFGBMB-JGCGQSQUSA-N	0	1	600.712	5.282	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000097966811	553910691	/nfs/dbraw/zinc/91/06/91/553910691.db2.gz	AKIYGPRAKYAXMI-JOCHJYFZSA-N	0	1	553.409	6.380	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1	ZINC000097966824	553910724	/nfs/dbraw/zinc/91/07/24/553910724.db2.gz	JPWTUQFPCHFMTN-WJOKGBTCSA-N	0	1	596.650	9.817	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(F)cc1	ZINC000097966862	553911243	/nfs/dbraw/zinc/91/12/43/553911243.db2.gz	LINCXWRYHTXPFC-SSEXGKCCSA-N	0	1	600.613	9.648	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2ccco2)cc(OC)c1OC	ZINC000097966944	553912288	/nfs/dbraw/zinc/91/22/88/553912288.db2.gz	PYIUBFOGUCVBBM-LJAQVGFWSA-N	0	1	569.610	5.971	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	ZINC000097967032	553913078	/nfs/dbraw/zinc/91/30/78/553913078.db2.gz	QCHWFRJWEKFTBU-GDLZYMKVSA-N	0	1	595.523	6.181	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000097967036	553913151	/nfs/dbraw/zinc/91/31/51/553913151.db2.gz	GOQSNHKMHPACTG-HHHXNRCGSA-N	0	1	614.676	5.926	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C	ZINC000097967015	553913164	/nfs/dbraw/zinc/91/31/64/553913164.db2.gz	PGTJNLXOATZFDX-DFXYEROKSA-N	0	1	556.659	6.007	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000097967138	553914425	/nfs/dbraw/zinc/91/44/25/553914425.db2.gz	PIRPXBJZCCOGDX-HKBQPEDESA-N	0	1	628.648	9.223	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC	ZINC000097967270	553916367	/nfs/dbraw/zinc/91/63/67/553916367.db2.gz	JFIHGISKMZVRQQ-LJAQVGFWSA-N	0	1	635.138	7.472	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1	ZINC000097967326	553916814	/nfs/dbraw/zinc/91/68/14/553916814.db2.gz	QRUCWGBDRFNKLQ-ZAMGYDSWSA-N	0	1	565.420	6.304	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C	ZINC000097967389	553918034	/nfs/dbraw/zinc/91/80/34/553918034.db2.gz	HAMPJURZEFITQN-KCWXNJEJSA-N	0	1	559.663	5.309	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000097967443	553918504	/nfs/dbraw/zinc/91/85/04/553918504.db2.gz	GAAUQLCHNSTAKL-NSYGIPOTSA-N	0	1	599.690	5.723	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000097967460	553918834	/nfs/dbraw/zinc/91/88/34/553918834.db2.gz	MQESVKOEYRUUEX-YTTGMZPUSA-N	0	1	579.778	8.469	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000097967550	553920105	/nfs/dbraw/zinc/92/01/05/553920105.db2.gz	PNTJLHUJOYHPDS-LJAQVGFWSA-N	0	1	558.631	5.599	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097967604	553920665	/nfs/dbraw/zinc/92/06/65/553920665.db2.gz	YFLJRCRWEHLJFX-OLILMLBXSA-N	0	1	645.778	7.501	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097967724	553922099	/nfs/dbraw/zinc/92/20/99/553922099.db2.gz	SEAMEGNRXCRTEQ-ROTAYESASA-N	0	1	682.223	8.169	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097967722	553922175	/nfs/dbraw/zinc/92/21/75/553922175.db2.gz	SEAMEGNRXCRTEQ-UKPGIYTDSA-N	0	1	682.223	8.169	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097967755	553922647	/nfs/dbraw/zinc/92/26/47/553922647.db2.gz	SLHVHCHXIFFGPA-NGOKVRLYSA-N	0	1	611.745	6.810	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1	ZINC000097967736	553922855	/nfs/dbraw/zinc/92/28/55/553922855.db2.gz	DSYRIIJYHPDRLC-PPGPUPIYSA-N	0	1	760.721	9.221	50	30		KKEAMN
O=C(Nc1cccc(/N=C/c2cc(I)cc(I)c2O)c1)c1ccco1	ZINC000033353069	553922891	/nfs/dbraw/zinc/92/28/91/553922891.db2.gz	NMGNQXJHDKUUJF-UFFVCSGVSA-N	0	1	558.113	5.197	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000097967786	553923148	/nfs/dbraw/zinc/92/31/48/553923148.db2.gz	JEASGVFSLTVXFZ-LFPIHBKWSA-N	0	1	577.456	6.174	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C	ZINC000097967832	553924097	/nfs/dbraw/zinc/92/40/97/553924097.db2.gz	RDIAFZGCJPLFEW-GEFUHLBYSA-N	0	1	740.731	9.067	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C	ZINC000097967833	553924152	/nfs/dbraw/zinc/92/41/52/553924152.db2.gz	RDIAFZGCJPLFEW-PLTNMMHCSA-N	0	1	740.731	9.067	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097967881	553924658	/nfs/dbraw/zinc/92/46/58/553924658.db2.gz	UIZNVBVRPNRAGH-SANMLTNESA-N	0	1	617.680	6.088	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1	ZINC000097967902	553924936	/nfs/dbraw/zinc/92/49/36/553924936.db2.gz	CSKQGMBJQACUMI-YTTGMZPUSA-N	0	1	762.693	8.669	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000097967942	553925338	/nfs/dbraw/zinc/92/53/38/553925338.db2.gz	OGSVYENYWTYDNT-DEOSSOPVSA-N	0	1	608.097	6.047	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000097967941	553925457	/nfs/dbraw/zinc/92/54/57/553925457.db2.gz	OGSVYENYWTYDNT-XMMPIXPASA-N	0	1	608.097	6.047	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000097967971	553925629	/nfs/dbraw/zinc/92/56/29/553925629.db2.gz	REMPVJBLESSQJG-NDEPHWFRSA-N	0	1	651.722	6.324	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000097967958	553925698	/nfs/dbraw/zinc/92/56/98/553925698.db2.gz	WNGCIBPDCBYSNF-LBEKAKSKSA-N	0	1	710.661	8.207	50	30		KKEAMN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000097968013	553926048	/nfs/dbraw/zinc/92/60/48/553926048.db2.gz	NSSLFSKOHWEFPC-AREMUKBSSA-N	0	1	603.697	6.647	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000097968003	553926062	/nfs/dbraw/zinc/92/60/62/553926062.db2.gz	HIGVSZHLKTWPSO-JBEBIEQOSA-N	0	1	628.534	7.383	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097968010	553926105	/nfs/dbraw/zinc/92/61/05/553926105.db2.gz	GHMSCXKQVUHYJF-NDEPHWFRSA-N	0	1	678.188	7.001	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097968034	553926584	/nfs/dbraw/zinc/92/65/84/553926584.db2.gz	UHPYSDSZCSBSAF-MHZLTWQESA-N	0	1	666.177	6.835	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097968024	553926668	/nfs/dbraw/zinc/92/66/68/553926668.db2.gz	JZMCWDYZGCHOLG-NDEPHWFRSA-N	0	1	645.759	6.572	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000033353782	553927132	/nfs/dbraw/zinc/92/71/32/553927132.db2.gz	BLGRVSHUXLXVHX-MQFAKOPTSA-N	0	1	572.658	6.040	50	30		KKEAMN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000097968080	553927304	/nfs/dbraw/zinc/92/73/04/553927304.db2.gz	FXUHWXCZLQFBCA-AREMUKBSSA-N	0	1	603.697	6.647	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097968087	553927322	/nfs/dbraw/zinc/92/73/22/553927322.db2.gz	HNJNLKSKVQPLNG-YTTGMZPUSA-N	0	1	679.820	7.963	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1	ZINC000097968190	553928707	/nfs/dbraw/zinc/92/87/07/553928707.db2.gz	GBXTXCSLZRAKCL-JGCGQSQUSA-N	0	1	711.793	7.501	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097968223	553929240	/nfs/dbraw/zinc/92/92/40/553929240.db2.gz	RCAYTNWITBUXLI-NDEPHWFRSA-N	0	1	645.759	6.490	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)C)cc3)s2)cc1	ZINC000097968244	553929521	/nfs/dbraw/zinc/92/95/21/553929521.db2.gz	FLIYZQDPDZXOCQ-HHHXNRCGSA-N	0	1	599.734	6.816	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097968254	553929636	/nfs/dbraw/zinc/92/96/36/553929636.db2.gz	BUYXYRYKBAOYBW-HHHXNRCGSA-N	0	1	633.723	6.703	50	30		KKEAMN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000097968299	553930282	/nfs/dbraw/zinc/93/02/82/553930282.db2.gz	MIRKDLLUEFMJRE-AREMUKBSSA-N	0	1	620.152	7.161	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097968342	553930787	/nfs/dbraw/zinc/93/07/87/553930787.db2.gz	SQWKXVLEBPNVIA-HKBQPEDESA-N	0	1	687.840	7.661	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1	ZINC000033354690	553930876	/nfs/dbraw/zinc/93/08/76/553930876.db2.gz	KTDIKEKGDOVVHM-OSPAZUARSA-N	0	1	619.161	8.639	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)ccc1OCc1ccc(Cl)cc1	ZINC000033354658	553930924	/nfs/dbraw/zinc/93/09/24/553930924.db2.gz	GEGDYHYQKVHQKW-SNFDCCKOSA-N	0	1	661.223	9.594	50	30		KKEAMN
O=C(N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccccc1Cl)C(F)(F)F	ZINC000033354716	553930932	/nfs/dbraw/zinc/93/09/32/553930932.db2.gz	IDXCCYAGSIZIIS-IVCQMTBJSA-N	0	1	531.361	7.456	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097968387	553932034	/nfs/dbraw/zinc/93/20/34/553932034.db2.gz	DNGNDUUIHCQRJL-AREMUKBSSA-N	0	1	636.151	6.827	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000097968424	553932463	/nfs/dbraw/zinc/93/24/63/553932463.db2.gz	PNPNKUAJISYFDB-HSZRJFAPSA-N	0	1	596.061	6.177	50	30		KKEAMN
COc1ccc(Nc2nc(N=NCc3ccc(-c4ccc([N+](=O)[O-])c(C)c4C)o3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1	ZINC000033355540	553935289	/nfs/dbraw/zinc/93/52/89/553935289.db2.gz	PUBCXQVHYPNYQX-HPNXWYHWSA-N	0	1	632.725	7.314	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000097969040	553935753	/nfs/dbraw/zinc/93/57/53/553935753.db2.gz	JLYLVICPDVDMBV-JPZYQRIQSA-N	0	1	555.671	6.265	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(F)cc1	ZINC000097969025	553935803	/nfs/dbraw/zinc/93/58/03/553935803.db2.gz	UVBCXWLRVBVVKU-LJAQVGFWSA-N	0	1	544.623	5.014	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000097969106	553936561	/nfs/dbraw/zinc/93/65/61/553936561.db2.gz	VTRUJDYLMVBSNK-LJAQVGFWSA-N	0	1	544.648	5.121	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1	ZINC000097969173	553937373	/nfs/dbraw/zinc/93/73/73/553937373.db2.gz	SKRMMPJOKWQXRQ-NPMABZOXSA-N	0	1	581.875	6.819	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000097969243	553938337	/nfs/dbraw/zinc/93/83/37/553938337.db2.gz	LIFASENJOXSXRD-NDEPHWFRSA-N	0	1	621.111	7.081	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097969274	553938829	/nfs/dbraw/zinc/93/88/29/553938829.db2.gz	QWXFTZGHMPHVBT-ACSYHNTCSA-N	0	1	662.233	8.159	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097969293	553939199	/nfs/dbraw/zinc/93/91/99/553939199.db2.gz	WUUBQBIYFDFACY-WTYVLRPYSA-N	0	1	613.761	7.116	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1	ZINC000097969306	553939222	/nfs/dbraw/zinc/93/92/22/553939222.db2.gz	IYRWEOCMHHKBJK-QPHCHLROSA-N	0	1	639.129	7.644	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000097969351	553940048	/nfs/dbraw/zinc/94/00/48/553940048.db2.gz	VMQLPWCVMRDZBD-SFDCACGMSA-N	0	1	555.414	6.849	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000097969350	553940247	/nfs/dbraw/zinc/94/02/47/553940247.db2.gz	VMQLPWCVMRDZBD-MYODQAERSA-N	0	1	555.414	6.849	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1)c1ccc(Br)cc1	ZINC000097969410	553940809	/nfs/dbraw/zinc/94/08/09/553940809.db2.gz	UOQWPEJTJZOHSP-HXUWFJFHSA-N	0	1	592.081	6.757	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000097969419	553940878	/nfs/dbraw/zinc/94/08/78/553940878.db2.gz	SSPIQSUCYRNZMY-LJAQVGFWSA-N	0	1	548.724	5.772	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1	ZINC000097969461	553941012	/nfs/dbraw/zinc/94/10/12/553941012.db2.gz	UMGFEBURZZANBJ-PMERELPUSA-N	0	1	617.068	10.162	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Br)cc1	ZINC000097969466	553941182	/nfs/dbraw/zinc/94/11/82/553941182.db2.gz	YSAVQOLNPYZMJU-GDLZYMKVSA-N	0	1	605.529	5.637	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000097969459	553941238	/nfs/dbraw/zinc/94/12/38/553941238.db2.gz	FKHCSWFQWHIKRL-NDEPHWFRSA-N	0	1	658.729	6.324	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)ccc1OCc1ccccc1	ZINC000097969539	553942223	/nfs/dbraw/zinc/94/22/23/553942223.db2.gz	QXGMBVKEQSYXEV-GDLZYMKVSA-N	0	1	605.529	5.637	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097969795	553944949	/nfs/dbraw/zinc/94/49/49/553944949.db2.gz	YHCBRCGWUKOMAX-AFJIDDCJSA-N	0	1	645.778	7.645	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097969841	553945915	/nfs/dbraw/zinc/94/59/15/553945915.db2.gz	KXGYQRZJBARZSK-WRHNGFHOSA-N	0	1	682.651	8.422	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1	ZINC000097969892	553946295	/nfs/dbraw/zinc/94/62/95/553946295.db2.gz	HPUYVWJNOXGTLP-XMMPIXPASA-N	0	1	578.643	5.361	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C	ZINC000097969890	553946493	/nfs/dbraw/zinc/94/64/93/553946493.db2.gz	CQFCLHSSESUYOL-ROTAYESASA-N	0	1	689.831	7.899	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097969909	553946839	/nfs/dbraw/zinc/94/68/39/553946839.db2.gz	FGZQKCDTOTUZRF-UKPGIYTDSA-N	0	1	665.768	7.655	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097969941	553947212	/nfs/dbraw/zinc/94/72/12/553947212.db2.gz	GJLYXBKYSWQUFO-UZTOHYMASA-N	0	1	599.734	6.726	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1	ZINC000097970096	553949612	/nfs/dbraw/zinc/94/96/12/553949612.db2.gz	RHAHLGYFQJIMPY-WOPWWUTRSA-N	0	1	705.858	8.223	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCCCC)c(OCC)c2)nc1C	ZINC000097970102	553949678	/nfs/dbraw/zinc/94/96/78/553949678.db2.gz	OFVBSQLAYFRLNR-NDEPHWFRSA-N	0	1	648.734	6.316	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C	ZINC000097970160	553950475	/nfs/dbraw/zinc/95/04/75/553950475.db2.gz	VKGAEKLAXDFNPT-JCOAXYOVSA-N	0	1	689.831	7.899	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1	ZINC000097970200	553950866	/nfs/dbraw/zinc/95/08/66/553950866.db2.gz	BEQZGUPZGZIKEH-ULKXQASOSA-N	0	1	709.821	8.054	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097970250	553951564	/nfs/dbraw/zinc/95/15/64/553951564.db2.gz	MHLZOTAOWYRUMM-WHLCRQNOSA-N	0	1	631.751	7.255	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000097970286	553952050	/nfs/dbraw/zinc/95/20/50/553952050.db2.gz	QKPOOZSRHXJWID-BZQUYTCOSA-N	0	1	668.580	7.030	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000097970278	553952150	/nfs/dbraw/zinc/95/21/50/553952150.db2.gz	YLDPHRORZTYZJW-LMKMVOKYSA-N	0	1	606.125	6.599	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C	ZINC000097970413	553953684	/nfs/dbraw/zinc/95/36/84/553953684.db2.gz	PMBWGHQBHSZRTE-MHZLTWQESA-N	0	1	612.660	5.761	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097970475	553954622	/nfs/dbraw/zinc/95/46/22/553954622.db2.gz	BZLPTEFJJCHWLY-VKGTZQKMSA-N	0	1	648.206	7.769	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097970604	553956338	/nfs/dbraw/zinc/95/63/38/553956338.db2.gz	CJSBRYRZCMCVEJ-OWJWWREXSA-N	0	1	610.544	7.244	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097970603	553956390	/nfs/dbraw/zinc/95/63/90/553956390.db2.gz	CJSBRYRZCMCVEJ-MYYSRTQBSA-N	0	1	610.544	7.244	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000097970618	553956687	/nfs/dbraw/zinc/95/66/87/553956687.db2.gz	GGMFTLOXCCOPKA-XIFFEERXSA-N	0	1	591.660	6.257	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000097970617	553956909	/nfs/dbraw/zinc/95/69/09/553956909.db2.gz	GGMFTLOXCCOPKA-MGBGTMOVSA-N	0	1	591.660	6.257	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1	ZINC000097970653	553957084	/nfs/dbraw/zinc/95/70/84/553957084.db2.gz	YHSRUCQWLCRUQR-PMERELPUSA-N	0	1	556.162	9.539	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000097970779	553958658	/nfs/dbraw/zinc/95/86/58/553958658.db2.gz	JAENGFYSVJIPAU-CCLHPLFOSA-N	0	1	515.610	5.054	50	30		KKEAMN
CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000097970904	553959203	/nfs/dbraw/zinc/95/92/03/553959203.db2.gz	FWCQZYLNNMXWRI-HKBQPEDESA-N	0	1	554.687	5.437	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000097970980	553959859	/nfs/dbraw/zinc/95/98/59/553959859.db2.gz	SWWMGYQBJVKDFO-AREMUKBSSA-N	0	1	603.096	6.952	50	30		KKEAMN
CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc1	ZINC000097972057	553965783	/nfs/dbraw/zinc/96/57/83/553965783.db2.gz	HKRRMINZERPOCO-QHCPKHFHSA-N	0	1	528.601	7.052	50	30	biogenic	KKEAMN
CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1	ZINC000097972057	553965788	/nfs/dbraw/zinc/96/57/88/553965788.db2.gz	HKRRMINZERPOCO-QHCPKHFHSA-N	0	1	528.601	7.052	50	30	biogenic	KKEAMN
Cc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)OCC#N)c4)o3)C(=O)NC2=S)cc1	ZINC000033690087	553968146	/nfs/dbraw/zinc/96/81/46/553968146.db2.gz	LTCVSEJRMYXUAJ-UYRXBGFRSA-N	0	1	505.939	5.260	50	30		KKEAMN
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3C)n2)cc1OC	ZINC000097982669	554004816	/nfs/dbraw/zinc/00/48/16/554004816.db2.gz	XEPZSKZJBMOEQA-QHCPKHFHSA-N	0	1	547.658	5.735	50	30		KKEAMN
COc1ccc(-c2csc(C(C#N)C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3C)n2)cc1OC	ZINC000097982669	554004821	/nfs/dbraw/zinc/00/48/21/554004821.db2.gz	XEPZSKZJBMOEQA-QHCPKHFHSA-N	0	1	547.658	5.735	50	30		KKEAMN
O=C(/C(=C/c1cc(Br)cc(Br)c1O)c1nc2ccccc2s1)c1ccccc1	ZINC000097983462	554009682	/nfs/dbraw/zinc/00/96/82/554009682.db2.gz	ALSNOWCEDBEYMD-WJDWOHSUSA-N	0	1	515.226	6.950	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	ZINC000097999883	554046768	/nfs/dbraw/zinc/04/67/68/554046768.db2.gz	CAJNJSGKHRQOQR-RWBZGNMBSA-N	0	1	683.676	10.452	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000097999962	554047464	/nfs/dbraw/zinc/04/74/64/554047464.db2.gz	CXRGNZRJGVFBFL-NHOCJEJCSA-N	0	1	625.121	7.589	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	ZINC000098003655	554055767	/nfs/dbraw/zinc/05/57/67/554055767.db2.gz	BMXZJXFLGGNFJG-WZLIKJJVSA-N	0	1	689.639	10.186	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccco4)CC(=O)C3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000098003692	554056074	/nfs/dbraw/zinc/05/60/74/554056074.db2.gz	NEQHEVFVTKQCLB-NLINSNCNSA-N	0	1	640.689	6.546	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000098045518	554132133	/nfs/dbraw/zinc/13/21/33/554132133.db2.gz	VUUKKIBGXQADFA-BHNGRWRESA-N	0	1	620.702	6.944	50	30		KKEAMN
COc1cc([C@@H]2C3=C(C[C@H](c4cccc(F)c4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC	ZINC000098045530	554132145	/nfs/dbraw/zinc/13/21/45/554132145.db2.gz	RFSHKVGKTAATEB-NLINSNCNSA-N	0	1	662.545	8.764	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000098045519	554132160	/nfs/dbraw/zinc/13/21/60/554132160.db2.gz	VUUKKIBGXQADFA-AOXBRHMESA-N	0	1	620.702	6.944	50	30		KKEAMN
COc1cc([C@H]2C3=C(C[C@@H](c4cccc(F)c4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC	ZINC000098045533	554132182	/nfs/dbraw/zinc/13/21/82/554132182.db2.gz	RFSHKVGKTAATEB-BPJXYHRLSA-N	0	1	662.545	8.764	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(F)cc2)nc1C	ZINC000098045751	554133525	/nfs/dbraw/zinc/13/35/25/554133525.db2.gz	PYHXBXJDNGJBOX-RCDICMHDSA-N	0	1	534.565	5.040	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(F)cc2)nc1C	ZINC000098045753	554133586	/nfs/dbraw/zinc/13/35/86/554133586.db2.gz	PYHXBXJDNGJBOX-JLCFBVMHSA-N	0	1	534.565	5.040	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C	ZINC000098046328	554137948	/nfs/dbraw/zinc/13/79/48/554137948.db2.gz	SUZQTMMMZVIVMU-JOCHJYFZSA-N	0	1	536.581	5.423	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2cc(Br)ccc2OC)cc1	ZINC000098046370	554138289	/nfs/dbraw/zinc/13/82/89/554138289.db2.gz	WSUMDVRJUVQGFM-HXUWFJFHSA-N	0	1	557.422	5.217	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccccc2F)cc1	ZINC000098046444	554138863	/nfs/dbraw/zinc/13/88/63/554138863.db2.gz	WMGQRFUWGHGMAN-RUZDIDTESA-N	0	1	575.687	6.931	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000098046424	554138879	/nfs/dbraw/zinc/13/88/79/554138879.db2.gz	SGMACPNDFDPLBZ-HHHXNRCGSA-N	0	1	682.220	7.471	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000098046469	554139456	/nfs/dbraw/zinc/13/94/56/554139456.db2.gz	BRPXKFOPPZRBOH-VWLOTQADSA-N	0	1	610.132	7.585	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000098046507	554139839	/nfs/dbraw/zinc/13/98/39/554139839.db2.gz	DHJJKNKQKKEPCW-NDEPHWFRSA-N	0	1	660.148	8.207	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000098046526	554140174	/nfs/dbraw/zinc/14/01/74/554140174.db2.gz	YCVDMMBWNYISBV-NDEPHWFRSA-N	0	1	611.745	7.847	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000098046528	554140244	/nfs/dbraw/zinc/14/02/44/554140244.db2.gz	BVWZVJZTHHOMGK-VWLOTQADSA-N	0	1	569.664	6.677	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H]1c1ccccc1	ZINC000098046534	554140302	/nfs/dbraw/zinc/14/03/02/554140302.db2.gz	CYDPTUQBZATDPX-QHCPKHFHSA-N	0	1	560.056	7.013	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000098046593	554141197	/nfs/dbraw/zinc/14/11/97/554141197.db2.gz	GKSYYBJSRXPQGP-NRFANRHFSA-N	0	1	570.117	6.727	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)cc1OC	ZINC000098046580	554141231	/nfs/dbraw/zinc/14/12/31/554141231.db2.gz	LLRMECAQOIGFSV-NDEPHWFRSA-N	0	1	544.604	5.209	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000098046664	554142012	/nfs/dbraw/zinc/14/20/12/554142012.db2.gz	IBTRNCISXPXAAR-QFIPXVFZSA-N	0	1	565.604	5.498	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F	ZINC000098047259	554148343	/nfs/dbraw/zinc/14/83/43/554148343.db2.gz	HLSDWWUCOUULJD-SSEXGKCCSA-N	0	1	704.201	8.002	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F	ZINC000098047255	554148421	/nfs/dbraw/zinc/14/84/21/554148421.db2.gz	NTHRRUKXTQDSBT-SSEXGKCCSA-N	0	1	687.746	7.488	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1F	ZINC000098047268	554148857	/nfs/dbraw/zinc/14/88/57/554148857.db2.gz	PWSNIRYZAGVXPO-YTTGMZPUSA-N	0	1	699.826	8.348	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1OC	ZINC000098047300	554149242	/nfs/dbraw/zinc/14/92/42/554149242.db2.gz	VRLZYWIMDAVORX-LJAQVGFWSA-N	0	1	553.615	5.148	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(OC)c2)cc1	ZINC000098047347	554149538	/nfs/dbraw/zinc/14/95/38/554149538.db2.gz	VYSZOHXMZXSPCO-SANMLTNESA-N	0	1	605.713	6.940	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000098047374	554149984	/nfs/dbraw/zinc/14/99/84/554149984.db2.gz	CWPQKJZIKPFBJR-WJOKGBTCSA-N	0	1	649.794	8.585	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccs2)cc1F	ZINC000098047393	554150550	/nfs/dbraw/zinc/15/05/50/554150550.db2.gz	KMWQOFWZFBCZLI-FQEVSTJZSA-N	0	1	523.636	6.122	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000098047460	554151278	/nfs/dbraw/zinc/15/12/78/554151278.db2.gz	MGUPLUGMFXZFDC-AREMUKBSSA-N	0	1	633.723	6.718	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000098047453	554151342	/nfs/dbraw/zinc/15/13/42/554151342.db2.gz	RVMPYFFFSIADBS-PMERELPUSA-N	0	1	678.276	9.015	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000098047506	554151754	/nfs/dbraw/zinc/15/17/54/554151754.db2.gz	LALRWFWYSDVUDO-SANMLTNESA-N	0	1	633.723	6.718	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000098047496	554151762	/nfs/dbraw/zinc/15/17/62/554151762.db2.gz	RJVHVTHLZURKSH-YTTGMZPUSA-N	0	1	681.811	8.510	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000098047527	554152278	/nfs/dbraw/zinc/15/22/78/554152278.db2.gz	OFCCOXSNGPHSMG-MHZLTWQESA-N	0	1	622.740	6.633	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000098047514	554152314	/nfs/dbraw/zinc/15/23/14/554152314.db2.gz	NKTLTJXPCKAQNQ-LJAQVGFWSA-N	0	1	650.794	7.558	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000098047558	554152583	/nfs/dbraw/zinc/15/25/83/554152583.db2.gz	OXHCHAIZNQBQIK-HKBQPEDESA-N	0	1	691.847	8.365	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000098047553	554152657	/nfs/dbraw/zinc/15/26/57/554152657.db2.gz	XVADDYIEWIKOHF-WJOKGBTCSA-N	0	1	691.847	8.365	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1	ZINC000098047545	554152739	/nfs/dbraw/zinc/15/27/39/554152739.db2.gz	GKFYYDNANHCUHI-HHHXNRCGSA-N	0	1	622.740	6.778	50	30		KKEAMN
CCCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC	ZINC000098047596	554152954	/nfs/dbraw/zinc/15/29/54/554152954.db2.gz	ABUIDBDXTIJAEZ-UMSFTDKQSA-N	0	1	715.938	9.458	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000098047584	554153117	/nfs/dbraw/zinc/15/31/17/554153117.db2.gz	QACPYMUDLLVQHL-YTTGMZPUSA-N	0	1	722.329	9.413	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000098047620	554153419	/nfs/dbraw/zinc/15/34/19/554153419.db2.gz	GEPLOKGORSXFEI-NDEPHWFRSA-N	0	1	615.777	7.499	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000098047619	554153504	/nfs/dbraw/zinc/15/35/04/554153504.db2.gz	GEPLOKGORSXFEI-MUUNZHRXSA-N	0	1	615.777	7.499	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccccc2F)cc1	ZINC000098047643	554153974	/nfs/dbraw/zinc/15/39/74/554153974.db2.gz	XKDCLKAXDITKTK-RUZDIDTESA-N	0	1	610.132	7.585	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000098047663	554154416	/nfs/dbraw/zinc/15/44/16/554154416.db2.gz	PRLVOKJWSIDADR-HHHXNRCGSA-N	0	1	636.195	7.844	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)nc1C	ZINC000098047660	554154501	/nfs/dbraw/zinc/15/45/01/554154501.db2.gz	STRUDZQVDCIZJQ-LJAQVGFWSA-N	0	1	648.778	7.334	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1Cl	ZINC000098047700	554154989	/nfs/dbraw/zinc/15/49/89/554154989.db2.gz	KSOHJBXGUONWTN-LJAQVGFWSA-N	0	1	572.061	6.183	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F	ZINC000098047761	554155705	/nfs/dbraw/zinc/15/57/05/554155705.db2.gz	DCBDTGFNIZMVMP-MGBGTMOVSA-N	0	1	673.791	8.793	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047811	554156436	/nfs/dbraw/zinc/15/64/36/554156436.db2.gz	BEHDQVVIWQFKQH-JGCGQSQUSA-N	0	1	681.836	8.353	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047815	554156447	/nfs/dbraw/zinc/15/64/47/554156447.db2.gz	LLHSQHMOKDLPIC-SSEXGKCCSA-N	0	1	653.782	7.573	50	30		KKEAMN
Cc1ccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(Oc4ccccc4)c3)cc2)cc1	ZINC000098047849	554157043	/nfs/dbraw/zinc/15/70/43/554157043.db2.gz	DGNQGIJPHPDWCJ-JGCGQSQUSA-N	0	1	562.666	6.506	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000098047891	554157360	/nfs/dbraw/zinc/15/73/60/554157360.db2.gz	BADJKFCGQCSIHM-RUZDIDTESA-N	0	1	599.621	5.817	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C	ZINC000098047894	554157417	/nfs/dbraw/zinc/15/74/17/554157417.db2.gz	FEZYARZZXQBEKB-VWLOTQADSA-N	0	1	599.621	5.817	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccs2)nc1C	ZINC000098048010	554158390	/nfs/dbraw/zinc/15/83/90/554158390.db2.gz	DZSWCNPWKYVLBV-XMMPIXPASA-N	0	1	544.654	6.386	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nnc(C(C)C)s2)ccc1OCCC(C)C	ZINC000098047984	554158406	/nfs/dbraw/zinc/15/84/06/554158406.db2.gz	KRTVAHOSUCURNE-QHCPKHFHSA-N	0	1	539.629	6.017	50	30		KKEAMN
Cc1ccc2sc(-c3ccc(/N=C/c4cc(I)cc(I)c4O)cc3)nc2c1	ZINC000100033417	554187334	/nfs/dbraw/zinc/18/73/34/554187334.db2.gz	VYIBYFZKFRGDHG-BHGWPJFGSA-N	0	1	596.231	6.937	50	30		KKEAMN
C[C@H](NC(=O)CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2s1)c1ccccc1	ZINC000100055826	554196188	/nfs/dbraw/zinc/19/61/88/554196188.db2.gz	UKCCSKIIBFQBES-YOGAUDJFSA-N	0	1	605.377	7.247	50	30		KKEAMN
C=CCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC	ZINC000036301885	554212005	/nfs/dbraw/zinc/21/20/05/554212005.db2.gz	AZVMHFPGFGBOLN-QHCPKHFHSA-N	0	1	500.039	5.411	50	30		KKEAMN
O=C(c1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000100142004	554228265	/nfs/dbraw/zinc/22/82/65/554228265.db2.gz	QQFWVDUPIOHYTC-AFJIDDCJSA-N	0	1	529.423	7.801	50	30		KKEAMN
COc1ccccc1[C@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)c1cccc2ccccc21	ZINC000100142035	554228276	/nfs/dbraw/zinc/22/82/76/554228276.db2.gz	LVYWWXMWWHDMLL-NHOCJEJCSA-N	0	1	540.619	7.656	50	30		KKEAMN
C=CCOc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OCC	ZINC000100228778	554254369	/nfs/dbraw/zinc/25/43/69/554254369.db2.gz	WMDPZUUAGVOOAO-RIYZIHGNSA-N	0	1	603.265	5.393	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1	ZINC000053290190	554331056	/nfs/dbraw/zinc/33/10/56/554331056.db2.gz	CRAOHLXZXNEYDI-VWLOTQADSA-N	0	1	535.438	5.966	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(OC)c3OC)sc2c1	ZINC000053290929	554331616	/nfs/dbraw/zinc/33/16/16/554331616.db2.gz	ACDYQKKXHCXQBS-NRFANRHFSA-N	0	1	522.604	5.557	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000053291957	554331901	/nfs/dbraw/zinc/33/19/01/554331901.db2.gz	UFVXJSUSGBPEOB-JOCHJYFZSA-N	0	1	522.604	5.557	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000053292051	554332427	/nfs/dbraw/zinc/33/24/27/554332427.db2.gz	DTQMJHDGTFBGET-QFIPXVFZSA-N	0	1	569.864	6.894	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1	ZINC000053305942	554333052	/nfs/dbraw/zinc/33/30/52/554333052.db2.gz	UWIPQGCYRGWLSD-HSZRJFAPSA-N	0	1	534.565	5.634	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)ccc1OCC(C)C	ZINC000053306828	554334262	/nfs/dbraw/zinc/33/42/62/554334262.db2.gz	CIDGPUWJDRFGAF-VWLOTQADSA-N	0	1	535.438	5.966	50	30		KKEAMN
O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(Br)cc1	ZINC000053307066	554334708	/nfs/dbraw/zinc/33/47/08/554334708.db2.gz	WDYONMREQQWWIS-GOSISDBHSA-N	0	1	515.385	6.042	50	30		KKEAMN
CC(C)C(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000053307244	554335064	/nfs/dbraw/zinc/33/50/64/554335064.db2.gz	LLYWPZMAOVCHNV-FWUCURJTSA-N	0	1	537.660	7.449	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1	ZINC000053307954	554335424	/nfs/dbraw/zinc/33/54/24/554335424.db2.gz	VKUYIOYCAAFVHJ-QHCPKHFHSA-N	0	1	551.020	6.149	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(Br)c2)nc1C	ZINC000053319098	554336015	/nfs/dbraw/zinc/33/60/15/554336015.db2.gz	KRQPUWMXTKLLDP-IBGZPJMESA-N	0	1	557.422	5.101	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(Br)c2)nc1C	ZINC000053319172	554336103	/nfs/dbraw/zinc/33/61/03/554336103.db2.gz	LBUJHUFWOPVDSR-NRFANRHFSA-N	0	1	583.460	5.657	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000053319138	554336303	/nfs/dbraw/zinc/33/63/03/554336303.db2.gz	MABUGCGPXXNHPR-FQEVSTJZSA-N	0	1	571.449	5.491	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Br)cc1)c1ccc(F)cc1	ZINC000053319265	554336990	/nfs/dbraw/zinc/33/69/90/554336990.db2.gz	FDZRNWYAFWRNEW-FQEVSTJZSA-N	0	1	527.346	6.120	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000053319368	554337584	/nfs/dbraw/zinc/33/75/84/554337584.db2.gz	JIAXPXPPHWDXHU-IBGZPJMESA-N	0	1	547.416	5.645	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000053319368	554337581	/nfs/dbraw/zinc/33/75/81/554337581.db2.gz	JIAXPXPPHWDXHU-IBGZPJMESA-N	0	1	547.416	5.645	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc(Br)c1O	ZINC000053319427	554337928	/nfs/dbraw/zinc/33/79/28/554337928.db2.gz	SHOFXJQHOOYZOW-CPJLOUKISA-N	0	1	564.432	5.308	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000053319444	554337961	/nfs/dbraw/zinc/33/79/61/554337961.db2.gz	WBSLOXSKPVVQQG-NRFANRHFSA-N	0	1	541.025	5.770	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@H]3c3ccccc3Cl)C2)cc1	ZINC000053319492	554338378	/nfs/dbraw/zinc/33/83/78/554338378.db2.gz	FKDDPJNBUHNRRE-KCEHZKJRSA-N	0	1	567.154	8.913	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1	ZINC000053319521	554338706	/nfs/dbraw/zinc/33/87/06/554338706.db2.gz	XWMHSTMHZLKCHB-WMELESEDSA-N	0	1	593.123	8.238	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000053332114	554338960	/nfs/dbraw/zinc/33/89/60/554338960.db2.gz	DUMLNVTXEMCNIV-HXUWFJFHSA-N	0	1	526.567	5.306	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000053332776	554338942	/nfs/dbraw/zinc/33/89/42/554338942.db2.gz	KPMWPDPOWMIAOO-JOCHJYFZSA-N	0	1	553.865	7.058	50	30		KKEAMN
O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1F	ZINC000053332540	554339003	/nfs/dbraw/zinc/33/90/03/554339003.db2.gz	RNJCMLBCIKPKEI-QJWGWKRISA-N	0	1	572.467	8.739	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2	ZINC000053332632	554339099	/nfs/dbraw/zinc/33/90/99/554339099.db2.gz	CKBLOMPTIFNWSX-JOCHJYFZSA-N	0	1	583.847	6.266	50	30		KKEAMN
O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1	ZINC000053334011	554339792	/nfs/dbraw/zinc/33/97/92/554339792.db2.gz	KOGLUBGNPXGHJU-ROTAYESASA-N	0	1	572.467	8.739	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000053335138	554340622	/nfs/dbraw/zinc/34/06/22/554340622.db2.gz	UXNXECJAXBITRD-HSZRJFAPSA-N	0	1	562.987	5.290	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1	ZINC000053336173	554341548	/nfs/dbraw/zinc/34/15/48/554341548.db2.gz	LNQZNUDMBPKCKD-DEOSSOPVSA-N	0	1	567.450	6.774	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Br)c2)nc1C	ZINC000053336927	554341832	/nfs/dbraw/zinc/34/18/32/554341832.db2.gz	HFRJFKWGJXPHIU-NRFANRHFSA-N	0	1	583.460	5.657	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000053336616	554341918	/nfs/dbraw/zinc/34/19/18/554341918.db2.gz	JEASGVFSLTVXFZ-SHACYNPGSA-N	0	1	577.456	6.174	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000053336499	554341936	/nfs/dbraw/zinc/34/19/36/554341936.db2.gz	QEWFQXCLQSYKSZ-LJAQVGFWSA-N	0	1	543.616	5.670	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000053338361	554342758	/nfs/dbraw/zinc/34/27/58/554342758.db2.gz	PQBQJRXTCXAMDG-HXUWFJFHSA-N	0	1	558.182	5.903	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000053338375	554342777	/nfs/dbraw/zinc/34/27/77/554342777.db2.gz	JKHULBWXFFZRSE-OAQYLSRUSA-N	0	1	552.992	5.002	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000053340435	554344149	/nfs/dbraw/zinc/34/41/49/554344149.db2.gz	KWUCMKWMFUQMTQ-NRFANRHFSA-N	0	1	538.603	5.175	50	30		KKEAMN
N#Cc1c2c(c(N3CCN(CCOC(c4ccccc4)c4ccccc4)CC3)n3c4ccccc4nc13)CCC2	ZINC000054290389	554349438	/nfs/dbraw/zinc/34/94/38/554349438.db2.gz	NZSIVEQRYFXJQG-UHFFFAOYSA-N	0	1	527.672	5.776	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1/C=N/c1ccc2oc(-c3ccccc3Cl)nc2c1	ZINC000100499674	554405259	/nfs/dbraw/zinc/40/52/59/554405259.db2.gz	AYBVTCUUMHGCGU-YSURURNPSA-N	0	1	506.581	7.129	50	30		KKEAMN
Cc1cc(Br)c(Nc2nc(=NN=Cc3coc(-c4cccc(Cl)c4)c3)nc(N3CCOCC3)[nH]2)cc1Cl	ZINC000100517517	554408983	/nfs/dbraw/zinc/40/89/83/554408983.db2.gz	GURCHUNSRCMZGT-DBFSUHOCSA-N	0	1	603.308	6.536	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1	ZINC000100580070	554424754	/nfs/dbraw/zinc/42/47/54/554424754.db2.gz	HZLINTMBPGABGV-OAQYLSRUSA-N	0	1	532.312	6.259	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccc(F)c2)cc1	ZINC000100674852	554443290	/nfs/dbraw/zinc/44/32/90/554443290.db2.gz	GSWPFYGUFUCTIN-XMMPIXPASA-N	0	1	566.651	6.365	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC	ZINC000100677248	554444200	/nfs/dbraw/zinc/44/42/00/554444200.db2.gz	VZBJISYNXUODGK-DEOSSOPVSA-N	0	1	582.650	6.046	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000100677292	554444655	/nfs/dbraw/zinc/44/46/55/554444655.db2.gz	YCFSLPJJEAMVOS-MHZLTWQESA-N	0	1	606.741	7.159	50	30		KKEAMN
CCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC	ZINC000100677758	554444908	/nfs/dbraw/zinc/44/49/08/554444908.db2.gz	WDECYXKUTDQVRG-AREMUKBSSA-N	0	1	610.704	6.826	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCCC)cc2)cc1	ZINC000100679925	554445992	/nfs/dbraw/zinc/44/59/92/554445992.db2.gz	IORQQTLUINFXBR-SANMLTNESA-N	0	1	592.714	6.769	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC	ZINC000100679934	554446013	/nfs/dbraw/zinc/44/60/13/554446013.db2.gz	RNWKDQAOGXNEBQ-NDEPHWFRSA-N	0	1	636.767	7.168	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccccc2F)nc1C	ZINC000100680319	554446558	/nfs/dbraw/zinc/44/65/58/554446558.db2.gz	VKUNHJRFUUZICL-HSZRJFAPSA-N	0	1	550.608	5.895	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCCC)cc2)nc1C	ZINC000100680391	554446764	/nfs/dbraw/zinc/44/67/64/554446764.db2.gz	HJOCTBZTLYXUMC-MHZLTWQESA-N	0	1	604.725	6.935	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000100681078	554447225	/nfs/dbraw/zinc/44/72/25/554447225.db2.gz	QRWWLVXVVJSXHA-OAQYLSRUSA-N	0	1	541.025	5.853	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1OC	ZINC000100681172	554447508	/nfs/dbraw/zinc/44/75/08/554447508.db2.gz	ONQGCYXYUYTZLE-SVEHJYQDSA-N	0	1	551.680	6.200	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000100681182	554447515	/nfs/dbraw/zinc/44/75/15/554447515.db2.gz	SLAPORDPOPICCN-MFMCTBQISA-N	0	1	541.644	6.202	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC	ZINC000100681572	554447830	/nfs/dbraw/zinc/44/78/30/554447830.db2.gz	ZVCQVQGGOXAVNU-HSZRJFAPSA-N	0	1	566.607	5.432	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC	ZINC000100681566	554447847	/nfs/dbraw/zinc/44/78/47/554447847.db2.gz	ZVCQVQGGOXAVNU-QHCPKHFHSA-N	0	1	566.607	5.432	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000100681482	554447878	/nfs/dbraw/zinc/44/78/78/554447878.db2.gz	NPLSQTCNIKPYGC-QFIPXVFZSA-N	0	1	552.580	5.042	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000100681468	554447922	/nfs/dbraw/zinc/44/79/22/554447922.db2.gz	KEFDCBSJFMVLBF-FQEVSTJZSA-N	0	1	571.424	5.787	50	30		KKEAMN
CCCCCCCCCCCCOc1ccccc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000100813133	554475528	/nfs/dbraw/zinc/47/55/28/554475528.db2.gz	JOPZQLTVGBHRJJ-UHFFFAOYSA-N	0	1	514.688	6.024	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@H]3c2ccc(F)cc2)cc1	ZINC000100871497	554499651	/nfs/dbraw/zinc/49/96/51/554499651.db2.gz	KRCFDUGKKXMFQO-WARZKSMQSA-N	0	1	544.626	7.448	50	30		KKEAMN
CCCCCCCCCCCCCCCCOC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC	ZINC000064858285	554518264	/nfs/dbraw/zinc/51/82/64/554518264.db2.gz	UVHUBDICYDPLIO-HHHXNRCGSA-O	0	1	552.754	7.036	50	30	in-vitro	KKEAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2cccc(C(F)(F)F)c2)C2=C1C(=O)CC(C)(C)C2	ZINC000100934020	554528635	/nfs/dbraw/zinc/52/86/35/554528635.db2.gz	YHUYJPMALAJVIU-SANMLTNESA-N	0	1	563.498	5.983	50	30		KKEAMN
CCCCCCCCCCCCCCCC(=O)Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1O	ZINC000101016434	554560409	/nfs/dbraw/zinc/56/04/09/554560409.db2.gz	RCFORVWNBSQWFZ-UHFFFAOYSA-N	0	1	547.718	7.521	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(Br)cc4s3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000101069780	554574077	/nfs/dbraw/zinc/57/40/77/554574077.db2.gz	APGDBIZAZADHIX-MRJHHRETSA-N	0	1	584.289	6.756	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000101069786	554574102	/nfs/dbraw/zinc/57/41/02/554574102.db2.gz	IOFPYUIMNHASGV-MRJHHRETSA-N	0	1	523.383	6.133	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000101069929	554574627	/nfs/dbraw/zinc/57/46/27/554574627.db2.gz	NVTOBINSSBYJKF-LFVOPCPISA-N	0	1	514.173	5.233	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000101100216	554587135	/nfs/dbraw/zinc/58/71/35/554587135.db2.gz	RVBHOWOBCZWXDF-MRJHHRETSA-N	0	1	523.383	6.133	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)ccc1OCc1ccccc1	ZINC000101101125	554588016	/nfs/dbraw/zinc/58/80/16/554588016.db2.gz	HTFHKLCZQXKMMI-WGGXKBPPSA-N	0	1	605.529	5.481	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(Br)c1)c1ccccc1	ZINC000101101547	554638803	/nfs/dbraw/zinc/63/88/03/554638803.db2.gz	CGLBSFAUMHAGGJ-NHFXJNLRSA-N	0	1	509.356	5.824	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000101276750	554702857	/nfs/dbraw/zinc/70/28/57/554702857.db2.gz	BADIEQIZDFLCOX-UUALVTFQSA-N	0	1	596.661	6.530	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C	ZINC000101276839	554703460	/nfs/dbraw/zinc/70/34/60/554703460.db2.gz	LVURCVKOGLSEJK-CZNAVJSXSA-N	0	1	604.681	5.617	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000101277258	554703585	/nfs/dbraw/zinc/70/35/85/554703585.db2.gz	QNTISAPCPDVSGC-MRJHHRETSA-N	0	1	573.454	6.044	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000101277895	554704123	/nfs/dbraw/zinc/70/41/23/554704123.db2.gz	LNXHSGZEHYJOAG-MRJHHRETSA-N	0	1	539.009	5.391	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C	ZINC000101277934	554704137	/nfs/dbraw/zinc/70/41/37/554704137.db2.gz	LKRNPROCICLMLG-UUALVTFQSA-N	0	1	598.652	6.447	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C	ZINC000101278010	554704561	/nfs/dbraw/zinc/70/45/61/554704561.db2.gz	KRZZUAHBOWTEEX-UUALVTFQSA-N	0	1	625.659	6.216	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC	ZINC000101310408	554717790	/nfs/dbraw/zinc/71/77/90/554717790.db2.gz	CUPJYDLIYNXPMD-NPJIAGGLSA-N	0	1	576.627	5.015	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000101310398	554717831	/nfs/dbraw/zinc/71/78/31/554717831.db2.gz	RCUZGQCEUPZHOD-MIOXIQPJSA-N	0	1	541.600	5.086	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000101310403	554717901	/nfs/dbraw/zinc/71/79/01/554717901.db2.gz	NQZLKHBYFBSDFB-TXTDGAROSA-N	0	1	527.573	5.043	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000101316807	554723839	/nfs/dbraw/zinc/72/38/39/554723839.db2.gz	MAIZFVSGDGCONO-YFVVEFNMSA-N	0	1	611.745	6.653	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000101338285	554734807	/nfs/dbraw/zinc/73/48/07/554734807.db2.gz	GAYRNVZLIZHZPE-RUZDIDTESA-N	0	1	610.132	7.503	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000102482405	554937425	/nfs/dbraw/zinc/93/74/25/554937425.db2.gz	GHNJWVNOUPYKCC-YDJIHCHBSA-N	0	1	526.567	5.149	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000102485425	554938305	/nfs/dbraw/zinc/93/83/05/554938305.db2.gz	IDIXHTOWZOPXEH-AYWGPLOBSA-N	0	1	536.993	5.602	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1	ZINC000102486498	554938568	/nfs/dbraw/zinc/93/85/68/554938568.db2.gz	ITWUPDWDSDUAQK-IUKMQXEJSA-N	0	1	527.602	5.369	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1	ZINC000102496146	554940623	/nfs/dbraw/zinc/94/06/23/554940623.db2.gz	JMUZLPSQYUDVLF-ZORLYMSLSA-N	0	1	596.650	9.661	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000102503616	554943987	/nfs/dbraw/zinc/94/39/87/554943987.db2.gz	COLGSWUNYBFBOL-YQYJTONYSA-N	0	1	618.730	6.510	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000102507779	554945217	/nfs/dbraw/zinc/94/52/17/554945217.db2.gz	XZNOTYCMIVQNGG-VEZPTTSMSA-N	0	1	617.068	10.006	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC	ZINC000102508617	554945691	/nfs/dbraw/zinc/94/56/91/554945691.db2.gz	IIWBMUDXATWXES-JBCNATCCSA-N	0	1	508.502	5.218	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000102510047	554945998	/nfs/dbraw/zinc/94/59/98/554945998.db2.gz	HLHRHTWMUFNPNX-AYWGPLOBSA-N	0	1	504.539	5.469	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3)sc2c1	ZINC000102509685	554946072	/nfs/dbraw/zinc/94/60/72/554946072.db2.gz	QFSJHZDVBZNSFV-AYWGPLOBSA-N	0	1	504.539	5.469	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102514872	554947636	/nfs/dbraw/zinc/94/76/36/554947636.db2.gz	BAXWSKAJUAIAGB-MRJHHRETSA-N	0	1	521.938	5.493	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102520932	554949693	/nfs/dbraw/zinc/94/96/93/554949693.db2.gz	GTFPQGOJJCYBDT-JBCNATCCSA-N	0	1	521.938	5.493	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000102532907	554954817	/nfs/dbraw/zinc/95/48/17/554954817.db2.gz	WAUFAOJREBAWGA-MOBKVPTQSA-N	0	1	506.967	5.593	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2OC)cc1	ZINC000102541565	554957622	/nfs/dbraw/zinc/95/76/22/554957622.db2.gz	QMIGEHRMHWLIFL-AYWGPLOBSA-N	0	1	504.539	5.469	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1	ZINC000102544480	554958463	/nfs/dbraw/zinc/95/84/63/554958463.db2.gz	GEKZIOYNCCYTPI-QMMFTLRZSA-N	0	1	606.656	6.885	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000102549015	554960756	/nfs/dbraw/zinc/96/07/56/554960756.db2.gz	IHLGVABHKNTKTQ-AIKCTZLLSA-N	0	1	577.634	6.058	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000102552158	554962514	/nfs/dbraw/zinc/96/25/14/554962514.db2.gz	WWZHAVGWAWFVKL-SZYGQJGOSA-N	0	1	577.633	6.057	50	30		KKEAMN
O=C(c1cccs1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccc(O)cc1	ZINC000102555912	554964384	/nfs/dbraw/zinc/96/43/84/554964384.db2.gz	MNZFGGHGPKVYSQ-WOOAAIBNSA-N	0	1	507.618	5.224	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102556248	554964774	/nfs/dbraw/zinc/96/47/74/554964774.db2.gz	KCGQOJOZVAIBLA-WRPQUVRJSA-N	0	1	610.544	7.087	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000102557469	554965265	/nfs/dbraw/zinc/96/52/65/554965265.db2.gz	BXBOPXKYVOKMOI-FCLPXNLHSA-N	0	1	525.645	6.243	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000102558373	554965820	/nfs/dbraw/zinc/96/58/20/554965820.db2.gz	AFCBXSBZWIIEOU-KYWXLPDZSA-N	0	1	520.969	6.039	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C	ZINC000102559738	554967268	/nfs/dbraw/zinc/96/72/68/554967268.db2.gz	NGMVHKOWQNYCSI-CZNAVJSXSA-N	0	1	613.648	6.050	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccnc2)nc1C	ZINC000102562806	554968550	/nfs/dbraw/zinc/96/85/50/554968550.db2.gz	KVMCPPUIPLTJSY-SBXHHDGASA-N	0	1	555.612	5.147	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000102592499	554974114	/nfs/dbraw/zinc/97/41/14/554974114.db2.gz	UUTAFOWEYWXXED-CZNAVJSXSA-N	0	1	601.706	5.935	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3F)s2)cc1	ZINC000102592393	554974225	/nfs/dbraw/zinc/97/42/25/554974225.db2.gz	WISVYORFJZHGNZ-NXLSWJSLSA-N	0	1	575.643	5.675	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102597115	554977004	/nfs/dbraw/zinc/97/70/04/554977004.db2.gz	KLZICPNUCOCDTQ-IUKMQXEJSA-N	0	1	587.679	5.627	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000102608451	554980490	/nfs/dbraw/zinc/98/04/90/554980490.db2.gz	KZGDUITVDOHHDH-SBXHHDGASA-N	0	1	591.642	5.376	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000102608944	554980508	/nfs/dbraw/zinc/98/05/08/554980508.db2.gz	QCMMDOSYTRQXQC-TXTDGAROSA-N	0	1	535.556	5.499	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000102609256	554980802	/nfs/dbraw/zinc/98/08/02/554980802.db2.gz	YJDFTQYKTFCXTP-NPJIAGGLSA-N	0	1	605.669	5.766	50	30		KKEAMN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000102613404	554982842	/nfs/dbraw/zinc/98/28/42/554982842.db2.gz	VANZAGWJSKULGX-HOGKFDNTSA-N	0	1	540.797	5.906	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000102617199	554984771	/nfs/dbraw/zinc/98/47/71/554984771.db2.gz	IKSNEODYSOWWSJ-LJQANCHMSA-N	0	1	531.417	6.026	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2	ZINC000102618013	554985279	/nfs/dbraw/zinc/98/52/79/554985279.db2.gz	GZTAKLYNCQFNEE-AYWGPLOBSA-N	0	1	594.070	5.587	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000102618534	554985571	/nfs/dbraw/zinc/98/55/71/554985571.db2.gz	VJLBQZQUJWCPMJ-WAUVLBAPSA-N	0	1	508.983	5.257	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000102642489	554991030	/nfs/dbraw/zinc/99/10/30/554991030.db2.gz	LURQGGUXUZDHOQ-ZCCBWQDPSA-N	0	1	545.635	6.253	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000102644064	554991423	/nfs/dbraw/zinc/99/14/23/554991423.db2.gz	DLIKPPISLSMYPZ-JNYBUSFRSA-N	0	1	565.622	6.203	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000102651005	554996005	/nfs/dbraw/zinc/99/60/05/554996005.db2.gz	ZMAUQISYADBSRA-YMCWBSDSSA-N	0	1	547.976	5.808	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000102654387	554997817	/nfs/dbraw/zinc/99/78/17/554997817.db2.gz	WBYWHIBBVMKTGF-RSERVXPISA-N	0	1	571.869	7.206	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000102695307	555010797	/nfs/dbraw/zinc/01/07/97/555010797.db2.gz	ACZHMTFISZNXNG-NXLSWJSLSA-N	0	1	542.573	5.268	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(OC)cc1	ZINC000102697936	555012224	/nfs/dbraw/zinc/01/22/24/555012224.db2.gz	OLEMSOHTXRNPLD-ONQGDUAMSA-N	0	1	501.579	5.041	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000102700141	555012702	/nfs/dbraw/zinc/01/27/02/555012702.db2.gz	MQJCMPFZYBETQB-HOGKFDNTSA-N	0	1	502.548	5.173	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccccc3F)cc2)c1	ZINC000102707358	555015344	/nfs/dbraw/zinc/01/53/44/555015344.db2.gz	HNRTZZDQBWGGKR-DFXXOVSGSA-N	0	1	508.549	5.730	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccncc2)cc1	ZINC000102713542	555018049	/nfs/dbraw/zinc/01/80/49/555018049.db2.gz	YUIORIQHGXRWFU-MIOXIQPJSA-N	0	1	548.595	5.378	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000102716239	555018894	/nfs/dbraw/zinc/01/88/94/555018894.db2.gz	SQHIGWBEZBTIAS-AYWGPLOBSA-N	0	1	533.005	5.925	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000102718627	555019310	/nfs/dbraw/zinc/01/93/10/555019310.db2.gz	LOFQVGXSSWZMRR-NPJIAGGLSA-N	0	1	501.539	5.099	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000102730870	555023450	/nfs/dbraw/zinc/02/34/50/555023450.db2.gz	TZEUAAWMQKMXIR-UUALVTFQSA-N	0	1	524.529	5.697	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccco2)ccc1O	ZINC000102733887	555024715	/nfs/dbraw/zinc/02/47/15/555024715.db2.gz	NREMKBLRZNBAMY-DFXXOVSGSA-N	0	1	525.557	5.503	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)cc1Cl	ZINC000102734021	555024725	/nfs/dbraw/zinc/02/47/25/555024725.db2.gz	GZXOZMNNXWFGTI-LFVOPCPISA-N	0	1	503.736	5.034	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000102735310	555025261	/nfs/dbraw/zinc/02/52/61/555025261.db2.gz	ZTBMMTANUTWTSS-DNNDWWBDSA-N	0	1	521.569	5.804	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000102735316	555025316	/nfs/dbraw/zinc/02/53/16/555025316.db2.gz	ZTBMMTANUTWTSS-QBCYBHDASA-N	0	1	521.569	5.804	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102736983	555026413	/nfs/dbraw/zinc/02/64/13/555026413.db2.gz	UXLVVDZMFOWANP-JFTLGNCFSA-N	0	1	557.584	5.553	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1	ZINC000102736942	555026456	/nfs/dbraw/zinc/02/64/56/555026456.db2.gz	CSORDWJNGNFVGM-XLNMUAQOSA-N	0	1	531.521	5.293	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102737013	555026524	/nfs/dbraw/zinc/02/65/24/555026524.db2.gz	HZBMRQDECDMLNG-HAQIDCBSSA-N	0	1	557.584	5.553	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1	ZINC000102770822	555058193	/nfs/dbraw/zinc/05/81/93/555058193.db2.gz	WCUOGRPSJCNIPT-KYWXLPDZSA-N	0	1	581.875	6.662	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102770795	555058299	/nfs/dbraw/zinc/05/82/99/555058299.db2.gz	POKKWNQXRAOCJH-GMBUILNLSA-N	0	1	551.451	6.861	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1	ZINC000102770824	555058330	/nfs/dbraw/zinc/05/83/30/555058330.db2.gz	WCUOGRPSJCNIPT-FECHNCLXSA-N	0	1	581.875	6.662	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1	ZINC000102771059	555059266	/nfs/dbraw/zinc/05/92/66/555059266.db2.gz	KMCXZOAGTOMQQS-FECHNCLXSA-N	0	1	537.424	6.553	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1	ZINC000102771106	555059717	/nfs/dbraw/zinc/05/97/17/555059717.db2.gz	KSIJWZJCDYZFEB-YMCWBSDSSA-N	0	1	520.969	6.039	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102771318	555060356	/nfs/dbraw/zinc/06/03/56/555060356.db2.gz	SIHLOBQMBVIWPL-CIKQMSCWSA-N	0	1	576.099	6.434	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)s2)cc1	ZINC000102771441	555060463	/nfs/dbraw/zinc/06/04/63/555060463.db2.gz	NNQBECOHYBXCFG-OTQMSCLFSA-N	0	1	573.671	6.228	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccs3)ccc2O1	ZINC000102771542	555060546	/nfs/dbraw/zinc/06/05/46/555060546.db2.gz	NOBWSQFCHBHUCV-HEWWQJFPSA-N	0	1	509.008	5.961	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000102859692	555090075	/nfs/dbraw/zinc/09/00/75/555090075.db2.gz	VFGFNUSISZEZLM-DFXXOVSGSA-N	0	1	530.621	5.454	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102860181	555090335	/nfs/dbraw/zinc/09/03/35/555090335.db2.gz	GUKYHZIZBOLWDS-WOOAAIBNSA-N	0	1	527.421	5.755	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4C)cc3)[C@@H]2c2ccc(F)cc2)s1	ZINC000102862219	555092354	/nfs/dbraw/zinc/09/23/54/555092354.db2.gz	VDQABNRLQFWCAL-NXLSWJSLSA-N	0	1	515.566	5.499	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000102862482	555092470	/nfs/dbraw/zinc/09/24/70/555092470.db2.gz	VTZGAQBTJGENKO-QZDFLZESSA-N	0	1	555.671	6.108	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102862763	555092595	/nfs/dbraw/zinc/09/25/95/555092595.db2.gz	DOYAWPOMTUOPHU-RWMNMRIUSA-N	0	1	541.644	6.210	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000102864210	555093909	/nfs/dbraw/zinc/09/39/09/555093909.db2.gz	MQVHEJDUCDJWAH-AYWGPLOBSA-N	0	1	520.563	5.240	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2ccco2)ccc1O	ZINC000102864841	555094461	/nfs/dbraw/zinc/09/44/61/555094461.db2.gz	ZCBVSCCKDRHQHL-DFXXOVSGSA-N	0	1	525.557	5.503	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000102865129	555094809	/nfs/dbraw/zinc/09/48/09/555094809.db2.gz	HAZKIRBYKNWTHQ-HOGKFDNTSA-N	0	1	506.967	5.593	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)cc1C	ZINC000102866294	555095441	/nfs/dbraw/zinc/09/54/41/555095441.db2.gz	VCBSJWBDZVGMJI-MOBKVPTQSA-N	0	1	538.597	5.491	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000102866332	555095533	/nfs/dbraw/zinc/09/55/33/555095533.db2.gz	DKEJIBOAHHVEID-VXJPNWOUSA-N	0	1	542.632	5.605	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000102866929	555096448	/nfs/dbraw/zinc/09/64/48/555096448.db2.gz	PXVDJVXZXHMJLO-VEZPTTSMSA-N	0	1	538.172	9.243	50	30		KKEAMN
CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1	ZINC000102869087	555098481	/nfs/dbraw/zinc/09/84/81/555098481.db2.gz	XSNYUNULXNPZAW-QAXCHELISA-N	0	1	556.703	7.266	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000102869404	555098791	/nfs/dbraw/zinc/09/87/91/555098791.db2.gz	AWBUWVVWWYFYNX-MIOXIQPJSA-N	0	1	527.617	5.691	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000102870169	555100057	/nfs/dbraw/zinc/10/00/57/555100057.db2.gz	ZVVXJKIBEHNPGA-QMMFTLRZSA-N	0	1	550.611	5.695	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000102870078	555100165	/nfs/dbraw/zinc/10/01/65/555100165.db2.gz	VNCIUXHUBGITPF-DZTJFIFISA-N	0	1	531.605	5.803	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000102870338	555100488	/nfs/dbraw/zinc/10/04/88/555100488.db2.gz	ALLZZIQAGJZKAE-TXTDGAROSA-N	0	1	621.111	6.925	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000102872958	555103524	/nfs/dbraw/zinc/10/35/24/555103524.db2.gz	KGDINQBMIOGYCN-SBXHHDGASA-N	0	1	544.585	5.117	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102872977	555103551	/nfs/dbraw/zinc/10/35/51/555103551.db2.gz	LHAHKLURDVJANK-MRJHHRETSA-N	0	1	521.392	5.694	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000102873888	555104015	/nfs/dbraw/zinc/10/40/15/555104015.db2.gz	NNMXLJJJKUDOAV-SBXHHDGASA-N	0	1	534.565	5.478	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102873800	555104046	/nfs/dbraw/zinc/10/40/46/555104046.db2.gz	ADSHLROOOJUMMC-WOOAAIBNSA-N	0	1	517.415	6.300	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000102875223	555105309	/nfs/dbraw/zinc/10/53/09/555105309.db2.gz	XDMTXKHCNGRSMV-YDJIHCHBSA-N	0	1	509.356	5.824	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1	ZINC000102876611	555106183	/nfs/dbraw/zinc/10/61/83/555106183.db2.gz	RYSXHNVNTLHAAF-VEZPTTSMSA-N	0	1	617.068	10.006	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl	ZINC000102877189	555106682	/nfs/dbraw/zinc/10/66/82/555106682.db2.gz	ZMZPCMZZBYMBPS-SBXHHDGASA-N	0	1	508.018	5.355	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000102879170	555108410	/nfs/dbraw/zinc/10/84/10/555108410.db2.gz	AMWADMNUOYWRIP-SZYGQJGOSA-N	0	1	584.713	6.110	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000102879710	555108731	/nfs/dbraw/zinc/10/87/31/555108731.db2.gz	XBIIYTMOIATXSP-ZHHPLPSFSA-N	0	1	561.015	6.310	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1	ZINC000102884275	555113144	/nfs/dbraw/zinc/11/31/44/555113144.db2.gz	REBYOHZSLMBCGE-CFQDGGCTSA-N	0	1	560.823	8.964	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000102884370	555113221	/nfs/dbraw/zinc/11/32/21/555113221.db2.gz	DZOLFQSCZGSZRU-AYWGPLOBSA-N	0	1	534.977	5.356	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000102884529	555113395	/nfs/dbraw/zinc/11/33/95/555113395.db2.gz	WZDSJZYFPBNZRD-RQBWANKVSA-N	0	1	539.009	5.231	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OCc2ccccc2)c1	ZINC000102885554	555115750	/nfs/dbraw/zinc/11/57/50/555115750.db2.gz	NSYMHDCOSXHFKB-YFVVEFNMSA-N	0	1	513.590	5.047	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000102887432	555119209	/nfs/dbraw/zinc/11/92/09/555119209.db2.gz	SQBOGJXESIFOPF-XVTRYDTASA-N	0	1	606.697	5.765	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102887808	555120128	/nfs/dbraw/zinc/12/01/28/555120128.db2.gz	JLYOKVIJEMEGHU-JLPDLQRYSA-N	0	1	599.734	6.569	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000102887779	555120156	/nfs/dbraw/zinc/12/01/56/555120156.db2.gz	SEEXHYXBJFGPBG-OGHRCCBNSA-N	0	1	617.680	5.706	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000102888628	555121856	/nfs/dbraw/zinc/12/18/56/555121856.db2.gz	YBLJCKVYHLNPIU-ROBPHKHBSA-N	0	1	617.724	6.708	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2	ZINC000102890008	555124817	/nfs/dbraw/zinc/12/48/17/555124817.db2.gz	OPNFMGPPXFAOOP-MOBKVPTQSA-N	0	1	504.951	5.347	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000102891196	555126845	/nfs/dbraw/zinc/12/68/45/555126845.db2.gz	HCGBABHEXWJFNQ-QNIVJUIWSA-N	0	1	606.125	6.442	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC	ZINC000102891273	555126858	/nfs/dbraw/zinc/12/68/58/555126858.db2.gz	WHNOHZHOTSMXOM-NPJIAGGLSA-N	0	1	506.555	5.196	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102892822	555129323	/nfs/dbraw/zinc/12/93/23/555129323.db2.gz	OSVYJVDUWANVJZ-MEDZALOKSA-N	0	1	567.450	6.561	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000102893063	555129837	/nfs/dbraw/zinc/12/98/37/555129837.db2.gz	IJXNKLGHKDBHDM-SZYGQJGOSA-N	0	1	563.779	8.607	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc(Br)c1O	ZINC000102893569	555131091	/nfs/dbraw/zinc/13/10/91/555131091.db2.gz	AKMWKOGKGLHIMO-AIKCTZLLSA-N	0	1	550.405	5.109	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102894567	555132583	/nfs/dbraw/zinc/13/25/83/555132583.db2.gz	OJGCSHQZMQWPKO-BFLOGMOSSA-N	0	1	585.707	6.179	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000102895017	555133553	/nfs/dbraw/zinc/13/35/53/555133553.db2.gz	JOCZGKAXWYVWDI-VEZPTTSMSA-N	0	1	550.611	5.608	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000102895891	555135189	/nfs/dbraw/zinc/13/51/89/555135189.db2.gz	AYBUJEOBRYMCMU-ONQGDUAMSA-N	0	1	591.085	6.916	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000102895888	555135229	/nfs/dbraw/zinc/13/52/29/555135229.db2.gz	AYBUJEOBRYMCMU-UUALVTFQSA-N	0	1	591.085	6.916	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3F)sc2c1	ZINC000102896180	555136038	/nfs/dbraw/zinc/13/60/38/555136038.db2.gz	UEQOURXJOIBYMO-NXLSWJSLSA-N	0	1	532.549	5.232	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000102897066	555137297	/nfs/dbraw/zinc/13/72/97/555137297.db2.gz	ZHSFQIIDEAFQJI-OTQMSCLFSA-N	0	1	571.680	5.789	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(N(C)C)cc1	ZINC000102897259	555137620	/nfs/dbraw/zinc/13/76/20/555137620.db2.gz	ZWPKKDBONUXRLE-KFLIVHAJSA-N	0	1	581.241	9.309	50	30		KKEAMN
N#Cc1ccc([C@@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1	ZINC000102926339	555150692	/nfs/dbraw/zinc/15/06/92/555150692.db2.gz	AGQCYNXCMIBQQH-SMSORMJASA-N	0	1	519.601	7.623	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102927557	555152248	/nfs/dbraw/zinc/15/22/48/555152248.db2.gz	HNTHMYASZPOISF-QZDFLZESSA-N	0	1	555.671	6.252	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000102928018	555152820	/nfs/dbraw/zinc/15/28/20/555152820.db2.gz	FSJOFDCBJXYWGG-GSYBUTJLSA-N	0	1	556.659	5.995	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1	ZINC000102928001	555152920	/nfs/dbraw/zinc/15/29/20/555152920.db2.gz	VSIZTZYZJJHZEO-MIOXIQPJSA-N	0	1	548.595	5.378	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102928590	555154176	/nfs/dbraw/zinc/15/41/76/555154176.db2.gz	LBCNWVIBKSRNFK-MOBKVPTQSA-N	0	1	502.523	5.157	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1	ZINC000102929349	555155084	/nfs/dbraw/zinc/15/50/84/555155084.db2.gz	CEBWLBZGHIGWEQ-IAMBOQNYSA-N	0	1	519.966	6.101	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102931898	555159383	/nfs/dbraw/zinc/15/93/83/555159383.db2.gz	WYWCMNNQTJTMKN-HOGKFDNTSA-N	0	1	569.864	6.737	50	30		KKEAMN
CC(=O)C1C(Nc2ccc(Br)cc2)=C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(Br)cc1	ZINC000102993689	555193652	/nfs/dbraw/zinc/19/36/52/555193652.db2.gz	QCNSPDJXBZFUHE-ZLNRFVROSA-N	0	1	521.249	5.610	50	30		KKEAMN
CCCCCCCCC(=O)N(CCCOC)Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1	ZINC000102995820	555195162	/nfs/dbraw/zinc/19/51/62/555195162.db2.gz	PEJKMGPIKHLLSF-UHFFFAOYSA-N	0	1	511.755	5.438	50	30		KKEAMN
CCCCCCCCS(=O)(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1	ZINC000103013456	555207880	/nfs/dbraw/zinc/20/78/80/555207880.db2.gz	DNRIEEFASLTSNN-NDEPHWFRSA-N	0	1	549.778	5.059	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000103928970	571370072	/nfs/dbraw/zinc/37/00/72/571370072.db2.gz	ZFISHYDAVKQXPJ-YDJIHCHBSA-N	0	1	526.998	5.225	50	30		KKEAMN
O=C(C(O)=C(c1ccccc1)[C@H]1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@H]1c1ccccc1)c1ccccc1	ZINC000104043874	571371632	/nfs/dbraw/zinc/37/16/32/571371632.db2.gz	GJTHMHRZFIJUGA-WTMUYZGOSA-N	0	1	532.639	7.816	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000104187303	571376358	/nfs/dbraw/zinc/37/63/58/571376358.db2.gz	ZMQBBGVVYWZUCE-AYWGPLOBSA-N	0	1	506.426	5.795	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000104220346	571377115	/nfs/dbraw/zinc/37/71/15/571377115.db2.gz	WDFAAUJKXROSDT-MIOXIQPJSA-N	0	1	536.584	5.305	50	30		KKEAMN
COc1ccc(C2=C3C(=O)CC(C)(C)C[C@@H]3n3nc(Nc4ccccc4)c(C(=O)Nc4ccc(C)c(C)c4)c3N2)cc1	ZINC000104494651	571381287	/nfs/dbraw/zinc/38/12/87/571381287.db2.gz	XWQSFRMKRJYRQO-SANMLTNESA-N	0	1	561.686	7.271	50	30		KKEAMN
C[C@H](Cc1ccccc1)n1n[o+]c([N-]C(=O)Nc2ccc(Br)cc2Br)c1Br	ZINC000136224820	571449193	/nfs/dbraw/zinc/44/91/93/571449193.db2.gz	ZHZKJGOLLYYBKZ-LLVKDONJSA-O	0	1	560.064	5.711	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(Oc3ccccc3)cc2)nc1C	ZINC000138215192	571451169	/nfs/dbraw/zinc/45/11/69/571451169.db2.gz	PGUMMBMMCJURCG-QFIPXVFZSA-N	0	1	530.558	5.796	50	30		KKEAMN
CC(=[NH+][N-]c1ncc(C(F)(F)F)cc1Cl)c1cn(N(C)c2ncc(C(F)(F)F)cc2Cl)c(=O)n(Cc2ccc(F)cc2)c1=O	ZINC000150347881	571460896	/nfs/dbraw/zinc/46/08/96/571460896.db2.gz	FPMRELZSCNFHLH-ORYDSYBTSA-N	0	1	664.369	6.067	50	30		KKEAMN
Oc1c(I)cc(Br)cc1/C=N/c1ccc2oc(-c3ccc(I)cc3)nc2c1	ZINC000150347901	571461018	/nfs/dbraw/zinc/46/10/18/571461018.db2.gz	NEWNVXQDEIMJIR-YSURURNPSA-N	0	1	645.032	6.923	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C	ZINC000150422195	571488049	/nfs/dbraw/zinc/48/80/49/571488049.db2.gz	PCXGNBGMNYVOGS-GYBOJBDRSA-N	0	1	671.841	7.604	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C	ZINC000150422324	571488390	/nfs/dbraw/zinc/48/83/90/571488390.db2.gz	ZCNQECCZCOAFAV-QMMFTLRZSA-N	0	1	691.803	7.191	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C	ZINC000150424247	571489001	/nfs/dbraw/zinc/48/90/01/571489001.db2.gz	UINYYWOMOFCRBU-ZCCBWQDPSA-N	0	1	685.868	7.912	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C	ZINC000150424772	571489352	/nfs/dbraw/zinc/48/93/52/571489352.db2.gz	GBPUHCCXKPGCJX-LOTNQUKISA-N	0	1	740.731	8.911	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C	ZINC000150424613	571489356	/nfs/dbraw/zinc/48/93/56/571489356.db2.gz	JDEXOQRQDWQKQU-QMMFTLRZSA-N	0	1	691.803	7.191	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C	ZINC000150424607	571489363	/nfs/dbraw/zinc/48/93/63/571489363.db2.gz	JDEXOQRQDWQKQU-VEZPTTSMSA-N	0	1	691.803	7.191	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C	ZINC000150424935	571489500	/nfs/dbraw/zinc/48/95/00/571489500.db2.gz	DLLDVSBPYIPKPC-CJNZMNDESA-N	0	1	721.901	8.757	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccc(F)cc4)cc3)C(=O)C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1	ZINC000150432736	571494186	/nfs/dbraw/zinc/49/41/86/571494186.db2.gz	OVVLNFBVTQBUGM-BHVANESWSA-N	0	1	666.746	6.293	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000150435435	571495464	/nfs/dbraw/zinc/49/54/64/571495464.db2.gz	IVTKOYCZXOACFX-QMMFTLRZSA-N	0	1	718.640	8.114	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1	ZINC000150435568	571495486	/nfs/dbraw/zinc/49/54/86/571495486.db2.gz	ZZILABCOXMIXAC-RBHLQMETSA-N	0	1	760.721	9.065	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1	ZINC000150435487	571495505	/nfs/dbraw/zinc/49/55/05/571495505.db2.gz	WCLVVDIDEIZFQI-SXARVTSNSA-N	0	1	705.858	8.066	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1	ZINC000150435773	571495788	/nfs/dbraw/zinc/49/57/88/571495788.db2.gz	LWLVQFIHHWNNKH-CFQDGGCTSA-N	0	1	707.830	7.514	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150441780	571498503	/nfs/dbraw/zinc/49/85/03/571498503.db2.gz	HIQIBUARVMFXSE-JNYBUSFRSA-N	0	1	682.223	8.013	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C	ZINC000150445212	571500080	/nfs/dbraw/zinc/50/00/80/571500080.db2.gz	FFRKMZWTZWKYLW-HEWWQJFPSA-N	0	1	629.485	5.055	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150445416	571500449	/nfs/dbraw/zinc/50/04/49/571500449.db2.gz	JXVYXVFWMZFTCT-ICQXDZJJSA-N	0	1	657.814	7.276	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150445789	571500596	/nfs/dbraw/zinc/50/05/96/571500596.db2.gz	JETAQCNSEVDWLS-VXJPNWOUSA-N	0	1	662.233	7.858	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000150445835	571500756	/nfs/dbraw/zinc/50/07/56/571500756.db2.gz	OJNPRQCGYRYILX-DFXXOVSGSA-N	0	1	658.729	6.168	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150445588	571500764	/nfs/dbraw/zinc/50/07/64/571500764.db2.gz	WLDZAZUWZKYCOL-FFMCZVIESA-N	0	1	647.778	7.359	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150445591	571500781	/nfs/dbraw/zinc/50/07/81/571500781.db2.gz	WLDZAZUWZKYCOL-VDBNUPDGSA-N	0	1	647.778	7.359	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000150445919	571500995	/nfs/dbraw/zinc/50/09/95/571500995.db2.gz	OPUWBSBBCHVGPY-CJJGVWJISA-N	0	1	637.541	7.449	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000150453835	571503739	/nfs/dbraw/zinc/50/37/39/571503739.db2.gz	CODIWSAMCZRTLB-SBXHHDGASA-N	0	1	639.480	5.569	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O	ZINC000150456096	571504566	/nfs/dbraw/zinc/50/45/66/571504566.db2.gz	QPSUHMLPVOAMRW-ZZIWUOEGSA-N	0	1	623.481	5.787	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150457093	571504827	/nfs/dbraw/zinc/50/48/27/571504827.db2.gz	LWZQMYQLJRPHKJ-HYVCFMKYSA-N	0	1	659.761	6.883	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150457442	571505034	/nfs/dbraw/zinc/50/50/34/571505034.db2.gz	VNVYFURFWXKENR-HUVRIODYSA-N	0	1	677.848	8.358	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)s2)cc1	ZINC000150458113	571505255	/nfs/dbraw/zinc/50/52/55/571505255.db2.gz	HXNLTSRGMGIPIT-PLQDCEFPSA-N	0	1	661.805	7.668	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000150459274	571505719	/nfs/dbraw/zinc/50/57/19/571505719.db2.gz	YBMJJZDVKGQPTH-AYWGPLOBSA-N	0	1	625.453	5.179	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O	ZINC000150460513	571506174	/nfs/dbraw/zinc/50/61/74/571506174.db2.gz	XUHBUAZGIZRTQC-NSUOQXISSA-N	0	1	627.900	6.376	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150461142	571506405	/nfs/dbraw/zinc/50/64/05/571506405.db2.gz	FEIIJYJUZCVHIQ-NBXYUPGTSA-N	0	1	689.831	7.887	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150461031	571506408	/nfs/dbraw/zinc/50/64/08/571506408.db2.gz	DYYSCCKMEOSIMP-RIEKNRFYSA-N	0	1	649.794	7.722	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150462801	571506715	/nfs/dbraw/zinc/50/67/15/571506715.db2.gz	MVXUFUWGMRNRTA-QZDFLZESSA-N	0	1	671.841	7.748	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C	ZINC000150463056	571507048	/nfs/dbraw/zinc/50/70/48/571507048.db2.gz	MDERYTBUDOXSNU-TXTDGAROSA-N	0	1	648.734	6.015	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150463707	571507450	/nfs/dbraw/zinc/50/74/50/571507450.db2.gz	HZMUETVAUGBJME-LOOKCOSASA-N	0	1	648.206	7.612	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000150464426	571507620	/nfs/dbraw/zinc/50/76/20/571507620.db2.gz	UIGXRKOXTLMZAE-FLJNSMSWSA-N	0	1	712.677	8.274	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000150464008	571507732	/nfs/dbraw/zinc/50/77/32/571507732.db2.gz	DXVHJJDRGKOWGR-QDMOOSCLSA-N	0	1	623.481	5.731	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000150464435	571507754	/nfs/dbraw/zinc/50/77/54/571507754.db2.gz	UIGXRKOXTLMZAE-GBIFRDBCSA-N	0	1	712.677	8.274	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000150467204	571508088	/nfs/dbraw/zinc/50/80/88/571508088.db2.gz	UAMJXCQTGNPPDF-KFLIVHAJSA-N	0	1	695.819	7.569	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150467449	571508115	/nfs/dbraw/zinc/50/81/15/571508115.db2.gz	ALDPAEAXLISTFZ-DFXXOVSGSA-N	0	1	643.743	6.191	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)s2)cc1	ZINC000150472817	571510074	/nfs/dbraw/zinc/51/00/74/571510074.db2.gz	JBYJSYGGSIUHDS-ZORLYMSLSA-N	0	1	663.777	7.115	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150476318	571510825	/nfs/dbraw/zinc/51/08/25/571510825.db2.gz	HSXAVPDVGAGPRN-HYVCFMKYSA-N	0	1	696.678	8.512	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150476592	571511006	/nfs/dbraw/zinc/51/10/06/571511006.db2.gz	VUPPKRKZTNDVJT-SZYGQJGOSA-N	0	1	679.820	7.806	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150480422	571511968	/nfs/dbraw/zinc/51/19/68/571511968.db2.gz	RMHLKELEGUMZCP-QMMFTLRZSA-N	0	1	649.750	6.946	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000150482804	571513434	/nfs/dbraw/zinc/51/34/34/571513434.db2.gz	ITUOTMFVHYQISU-QMMFTLRZSA-N	0	1	691.803	7.335	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000150484879	571515438	/nfs/dbraw/zinc/51/54/38/571515438.db2.gz	GKZPVEVDUNHMNT-KNZGKXHUSA-N	0	1	644.989	7.740	50	30		KKEAMN
Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1cccnc1	ZINC000150485890	571516133	/nfs/dbraw/zinc/51/61/33/571516133.db2.gz	XCTDZLDNGKNUOA-SANMLTNESA-N	0	1	633.780	7.593	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@@H]3CCCc4c5cc(Cl)ccc5[nH]c43)C1=O)O2	ZINC000263586569	572124432	/nfs/dbraw/zinc/12/44/32/572124432.db2.gz	VVZPTPXQBLANKB-CKNJPZKVSA-N	0	1	547.007	5.371	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2C[C@H]2CCCO2)ccc1OCCC(C)C	ZINC000238950488	572190054	/nfs/dbraw/zinc/19/00/54/572190054.db2.gz	YJPKKOIEKGFSNF-RRBBIIPZSA-N	0	1	535.637	5.201	50	30		KKEAMN
O=C1C=CC(=[NH+][N-]c2cccc3ccccc32)C=C1C=NNc1nc(Nc2ccccc2)nc(N2CCCCC2)n1	ZINC000245239756	572213155	/nfs/dbraw/zinc/21/31/55/572213155.db2.gz	CGUOQEBPFVQSKQ-WZNFQZETSA-N	0	1	543.635	7.326	50	30		KKEAMN
COc1ccc(N=C2S/C(=C/c3cc(Br)cc(Br)c3O)C(=O)N2CC(C)C)cc1	ZINC000252599750	572267227	/nfs/dbraw/zinc/26/72/27/572267227.db2.gz	DLDGIEATOCBYMR-LMBXAWNASA-N	0	1	540.277	6.186	50	30		KKEAMN
COc1ccccc1[C@@H](CNC(C)=C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O)c1c[nH]c2ccccc21	ZINC000253399104	572284742	/nfs/dbraw/zinc/28/47/42/572284742.db2.gz	COPMMUABHNCDCQ-VCORQIIBSA-N	0	1	592.648	5.480	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCCCCc3nc4ccccc4n3C(C)C)C1=O)O2	ZINC000253414829	572288988	/nfs/dbraw/zinc/28/89/88/572288988.db2.gz	YTBWBTUBKPBLKO-NGAFNUOASA-N	0	1	571.674	5.502	50	30		KKEAMN
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC=O	ZINC000601032717	717184852	/nfs/dbraw/zinc/18/48/52/717184852.db2.gz	AMDALQITIBLLFZ-XMMPIXPASA-O	0	1	524.656	5.392	50	30	in-vitro	KKEAMN
CCOc1cc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1	ZINC000097999688	1069797344	/nfs/dbraw/zinc/79/73/44/1069797344.db2.gz	UUXIAAGTAHWVRN-AIJWEMPKSA-N	0	1	621.177	8.874	50	30		KKEAMN
COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C=C(Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)C[C@H]1C	ZINC000888088728	1071056378	/nfs/dbraw/zinc/05/63/78/1071056378.db2.gz	OJLKJYVLORBCQI-PFTQGLRFSA-N	0	1	523.973	5.004	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@H]3CCCc4c5cccc(Cl)c5[nH]c43)C1=O)O2	ZINC000263584744	1071122784	/nfs/dbraw/zinc/12/27/84/1071122784.db2.gz	ABURYXLXMAEFFA-NOORWFIYSA-N	0	1	547.007	5.371	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)Nc3ccc(O)c(-c4nc5ccccc5s4)c3)C1=O)O2	ZINC000820386030	1071280703	/nfs/dbraw/zinc/28/07/03/1071280703.db2.gz	NBJZLPVEQGPNGD-VXUAEHAASA-N	0	1	568.607	5.663	50	30		KKEAMN
C=C(C)COc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(OC)c(O)c5)oc-4c32)c1	ZINC000217812023	1071292656	/nfs/dbraw/zinc/29/26/56/1071292656.db2.gz	NOYPKRXHHRKFGW-LJQANCHMSA-N	0	1	500.503	5.276	50	30	biogenic	KKEAMN
CCCCCCCCCCC1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)NC1=O	ZINC000245284250	1072831285	/nfs/dbraw/zinc/83/12/85/1072831285.db2.gz	QXMHNIJKLPFSGG-DEOSSOPVSA-N	0	1	550.146	6.560	50	30		KKEAMN
CCOc1ccc(Oc2c(C=NNc3ccc(S(=O)(=O)N(CC)CC)cn3)c(C)nn2-c2ccccc2)cc1	ZINC000254294842	1072844782	/nfs/dbraw/zinc/84/47/82/1072844782.db2.gz	PFLAXEHLOLVFNF-UHFFFAOYSA-N	0	1	548.669	5.243	50	30		KKEAMN
Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2[N-][NH+]=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c(C)c1	ZINC000254508134	1072860648	/nfs/dbraw/zinc/86/06/48/1072860648.db2.gz	CZKRYECEOUCFGM-UHFFFAOYSA-N	0	1	592.703	5.419	50	30		KKEAMN
C(=NN1CCN(C(c2ccccc2)c2ccccc2)CC1)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1	ZINC000254826327	1072882212	/nfs/dbraw/zinc/88/22/12/1072882212.db2.gz	MKEZJGOLZRLQFL-SVOBIRCNSA-N	0	1	518.705	5.843	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC	ZINC000000635127	551505841	/nfs/dbraw/zinc/50/58/41/551505841.db2.gz	BHNPMPBMDCCHIO-HXUWFJFHSA-N	0	1	542.997	5.082	50	30		KKEAMN
CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000000647240	551508166	/nfs/dbraw/zinc/50/81/66/551508166.db2.gz	JTISBAXSJKDXLT-WRGVRERRSA-N	0	1	527.577	5.923	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000000702685	551529864	/nfs/dbraw/zinc/52/98/64/551529864.db2.gz	KPKBKBOHRZFBOQ-KCWPFWIISA-N	0	1	523.626	5.276	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1OCCC(C)C	ZINC000000703059	551530187	/nfs/dbraw/zinc/53/01/87/551530187.db2.gz	YJPKKOIEKGFSNF-ZZLYJBIYSA-N	0	1	535.637	5.201	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000000703092	551530774	/nfs/dbraw/zinc/53/07/74/551530774.db2.gz	NRFBZUGEWRBMHJ-PRAQEBQASA-N	0	1	551.595	5.969	50	30		KKEAMN
Oc1c(I)cc(Br)cc1/C=N/c1ccc2oc(-c3ccncc3)nc2c1	ZINC000000711788	551533356	/nfs/dbraw/zinc/53/33/56/551533356.db2.gz	ATHYPUWXWYTCPA-AUEPDCJTSA-N	0	1	520.124	5.713	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccc(C)cc4)C3)[C@@H]2c2cccnc2)cc(OC)c1OC	ZINC000000718117	551535022	/nfs/dbraw/zinc/53/50/22/551535022.db2.gz	PCEKRTASLDKZSE-IANOAQMISA-N	0	1	575.665	6.630	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000000718146	551535184	/nfs/dbraw/zinc/53/51/84/551535184.db2.gz	CUZCICFXLCZOFG-PLTNMMHCSA-N	0	1	542.632	6.032	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000000718145	551535219	/nfs/dbraw/zinc/53/52/19/551535219.db2.gz	CUZCICFXLCZOFG-GEFUHLBYSA-N	0	1	542.632	6.032	50	30		KKEAMN
COc1c(Br)cc(/C=N/c2ccccc2Sc2c(C)n[nH]c2C)c(O)c1Br	ZINC000000973960	551590838	/nfs/dbraw/zinc/59/08/38/551590838.db2.gz	SIYLFHGKPCTPHL-LSFURLLWSA-N	0	1	511.239	6.168	50	30		KKEAMN
COc1cc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC	ZINC000000985923	551592540	/nfs/dbraw/zinc/59/25/40/551592540.db2.gz	VFKHKRRDTMZELY-WNSROMTISA-N	0	1	574.677	7.235	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cc(OC)c(OC)c(OC)c3)C2)[C@H]1c1cccc(F)c1	ZINC000000985929	551592809	/nfs/dbraw/zinc/59/28/09/551592809.db2.gz	JRGWDTTXIFPOFJ-HZAQMHFWSA-N	0	1	530.596	6.162	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000000986569	551593085	/nfs/dbraw/zinc/59/30/85/551593085.db2.gz	JQCXXEPNSXRKKH-IPBJYNAHSA-N	0	1	552.627	5.801	50	30		KKEAMN
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC	ZINC000001077247	551604489	/nfs/dbraw/zinc/60/44/89/551604489.db2.gz	YPGWWTUKKRPLAV-HPGBDJQBSA-N	0	1	531.565	5.696	50	30		KKEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000001199026	551622995	/nfs/dbraw/zinc/62/29/95/551622995.db2.gz	GIQXVFDOZPSQOZ-QFIPXVFZSA-N	0	1	507.340	5.178	50	30		KKEAMN
O=C(C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(I)cc1	ZINC000001237860	551630027	/nfs/dbraw/zinc/63/00/27/551630027.db2.gz	REIARYNNAKRYTP-UOODYVSWSA-N	0	1	527.387	5.456	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1	ZINC000001239292	551630376	/nfs/dbraw/zinc/63/03/76/551630376.db2.gz	SKYDUIRPIPWPIR-HRFSGMKKSA-N	0	1	550.533	5.945	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1	ZINC000001293531	551637300	/nfs/dbraw/zinc/63/73/00/551637300.db2.gz	BVTQPPNNKUMGBJ-GPNASLBKSA-N	0	1	538.644	6.429	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1	ZINC000001301429	551638203	/nfs/dbraw/zinc/63/82/03/551638203.db2.gz	ZYWGIEIWAWOAQJ-DLLPINGYSA-N	0	1	548.664	7.058	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(OC)cc2OC)cc1	ZINC000001411045	551664769	/nfs/dbraw/zinc/66/47/69/551664769.db2.gz	ANTOFYBIYKXPDY-NDEPHWFRSA-N	0	1	526.589	5.405	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(O)cc1)c1ccc(Br)cc1	ZINC000001413443	551665780	/nfs/dbraw/zinc/66/57/80/551665780.db2.gz	WIWPKEPHHNDTSG-XMMPIXPASA-N	0	1	517.379	5.457	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O	ZINC000001414777	551666582	/nfs/dbraw/zinc/66/65/82/551666582.db2.gz	YXMZIVCFAQWSPQ-VWLOTQADSA-N	0	1	502.954	5.357	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@@H]3c2ccc(F)cc2)cc1OC	ZINC000001440835	551672920	/nfs/dbraw/zinc/67/29/20/551672920.db2.gz	KJIIWXCQRNKDGE-ROTAYESASA-N	0	1	554.643	7.119	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@@H]3c2ccc(F)cc2)cc1OC	ZINC000001440834	551672986	/nfs/dbraw/zinc/67/29/86/551672986.db2.gz	KJIIWXCQRNKDGE-JCOAXYOVSA-N	0	1	554.643	7.119	50	30		KKEAMN
O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc(Br)c1	ZINC000001449870	551674955	/nfs/dbraw/zinc/67/49/55/551674955.db2.gz	VBQRFRJISHYYBB-GOSISDBHSA-N	0	1	515.385	6.042	50	30		KKEAMN
COc1cccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1	ZINC000001453805	551676513	/nfs/dbraw/zinc/67/65/13/551676513.db2.gz	KTRGCDSVAHFQKF-PBUKZNKTSA-N	0	1	590.676	6.935	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1OC	ZINC000001458998	551677639	/nfs/dbraw/zinc/67/76/39/551677639.db2.gz	MFXGBKBDLNCGPF-UVDDSOTQSA-N	0	1	520.585	6.511	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000001463459	551679722	/nfs/dbraw/zinc/67/97/22/551679722.db2.gz	JXOZWJOKZSUEJT-XMMPIXPASA-N	0	1	558.587	6.343	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)c(C)c1	ZINC000001467606	551680172	/nfs/dbraw/zinc/68/01/72/551680172.db2.gz	IHCUQZRWYQBIEZ-QHCPKHFHSA-N	0	1	507.384	5.330	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000001479925	551681230	/nfs/dbraw/zinc/68/12/30/551681230.db2.gz	DEFDJCIFVMCDMV-FQEVSTJZSA-N	0	1	541.448	6.302	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccccc2F)nc1C	ZINC000001480087	551681519	/nfs/dbraw/zinc/68/15/19/551681519.db2.gz	LLUMGEOIYRGJNB-OAQYLSRUSA-N	0	1	524.570	5.257	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccccc2F)nc1C	ZINC000001480086	551681616	/nfs/dbraw/zinc/68/16/16/551681616.db2.gz	LLUMGEOIYRGJNB-NRFANRHFSA-N	0	1	524.570	5.257	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000001480698	551681923	/nfs/dbraw/zinc/68/19/23/551681923.db2.gz	XIWBQXLGDVDRNL-LJQANCHMSA-N	0	1	527.421	5.912	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc(Br)c1)c1ccc(Br)cc1	ZINC000001481289	551682262	/nfs/dbraw/zinc/68/22/62/551682262.db2.gz	ALZRZVLKSSIIHA-HXUWFJFHSA-N	0	1	545.231	5.077	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc(Br)c1)c1ccc(Br)cc1	ZINC000001481288	551682308	/nfs/dbraw/zinc/68/23/08/551682308.db2.gz	ALZRZVLKSSIIHA-FQEVSTJZSA-N	0	1	545.231	5.077	50	30		KKEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1	ZINC000001481485	551682654	/nfs/dbraw/zinc/68/26/54/551682654.db2.gz	QCGILDIEIVQONI-QFIPXVFZSA-N	0	1	524.957	5.889	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000001482369	551683056	/nfs/dbraw/zinc/68/30/56/551683056.db2.gz	DMCFDLVOMBGZMH-XMMPIXPASA-N	0	1	534.565	5.634	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc(Cl)c2)s1	ZINC000001845684	551714677	/nfs/dbraw/zinc/71/46/77/551714677.db2.gz	AZWCBJGTELRWDP-XMMPIXPASA-N	0	1	532.021	6.170	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1	ZINC000001900534	551730580	/nfs/dbraw/zinc/73/05/80/551730580.db2.gz	ZAVFACRFGUKUQV-FQEVSTJZSA-N	0	1	547.630	6.648	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1/C=N/c1ccc2oc(-c3ccccc3Br)nc2c1	ZINC000002053506	551739193	/nfs/dbraw/zinc/73/91/93/551739193.db2.gz	QOIHTUSDXFFSDK-YSURURNPSA-N	0	1	551.032	7.239	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000002100421	551762266	/nfs/dbraw/zinc/76/22/66/551762266.db2.gz	KDFSJBXMDUSNAH-HEIROHQZSA-N	0	1	539.632	7.084	50	30		KKEAMN
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000002173558	551782526	/nfs/dbraw/zinc/78/25/26/551782526.db2.gz	AZFQTKCZYHOTNX-LPYMAVHISA-N	0	1	514.676	5.354	50	30		KKEAMN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc(Br)cc(Br)c1O	ZINC000002192935	551791309	/nfs/dbraw/zinc/79/13/09/551791309.db2.gz	ZIFBUANJTJPCQJ-HSZRJFAPSA-N	0	1	527.256	7.380	50	30		KKEAMN
N#Cc1c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)nc(-c2cccs2)cc1C(F)(F)F	ZINC000002840827	552198736	/nfs/dbraw/zinc/19/87/36/552198736.db2.gz	WCIUHFXAOYGZMU-UHFFFAOYSA-N	0	1	576.607	5.022	50	30		KKEAMN
Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(I)cc3)nc2c1	ZINC000003084981	552286073	/nfs/dbraw/zinc/28/60/73/552286073.db2.gz	JGZQUEFUAXSRKO-YSURURNPSA-N	0	1	509.130	6.862	50	30		KKEAMN
CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2s1	ZINC000003663349	552407796	/nfs/dbraw/zinc/40/77/96/552407796.db2.gz	ANTMNSPMUOYSBG-VFLNYLIXSA-N	0	1	544.529	7.915	50	30		KKEAMN
Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2nc(SCc3ccc(Br)cc3)sc2c1	ZINC000003663366	552407811	/nfs/dbraw/zinc/40/78/11/552407811.db2.gz	YTRZKYGUVIJFDY-KIBLKLHPSA-N	0	1	524.292	8.114	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(Br)c1)c1ccc(Br)cc1	ZINC000004635176	552469493	/nfs/dbraw/zinc/46/94/93/552469493.db2.gz	UFNXSJWHMGAORL-DEOSSOPVSA-N	0	1	580.276	6.514	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1	ZINC000004635165	552469539	/nfs/dbraw/zinc/46/95/39/552469539.db2.gz	QANKBPJWWMOPAM-XMMPIXPASA-N	0	1	535.825	6.405	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OC(C)C	ZINC000004636416	552469809	/nfs/dbraw/zinc/46/98/09/552469809.db2.gz	LCLRKFIIKFDANZ-PMERELPUSA-N	0	1	534.612	6.748	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccco2)ccc1O	ZINC000004649994	552471107	/nfs/dbraw/zinc/47/11/07/552471107.db2.gz	YLUKYYTVCSATGD-LJAQVGFWSA-N	0	1	539.584	6.050	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2F)cc1C	ZINC000005355392	552498556	/nfs/dbraw/zinc/49/85/56/552498556.db2.gz	HNOMQTASAGKFLZ-QFIPXVFZSA-N	0	1	538.597	5.647	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000005355327	552498652	/nfs/dbraw/zinc/49/86/52/552498652.db2.gz	FCROLXKIGZLPOW-DEOSSOPVSA-N	0	1	580.659	5.526	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000005357062	552499286	/nfs/dbraw/zinc/49/92/86/552499286.db2.gz	IAICEXZNVAXQLI-DEOSSOPVSA-N	0	1	578.643	5.302	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC	ZINC000005356959	552499375	/nfs/dbraw/zinc/49/93/75/552499375.db2.gz	BHNPMPBMDCCHIO-FQEVSTJZSA-N	0	1	542.997	5.082	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Cl)c2)c(C)c1	ZINC000005357265	552499629	/nfs/dbraw/zinc/49/96/29/552499629.db2.gz	JYCUKPBWJZSVNC-JOCHJYFZSA-N	0	1	553.036	5.938	50	30		KKEAMN
COc1ccc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccc(C(C)(C)C)cc4)CC(=O)C3[C@H]2c2ccccc2Cl)cc1	ZINC000005944506	552514673	/nfs/dbraw/zinc/51/46/73/552514673.db2.gz	HHHBYMJZJYDXGC-YQPGIBNTSA-N	0	1	591.151	8.861	50	30		KKEAMN
C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)C(C#N)c2nc3ccccc3n2C)c1	ZINC000006094783	552534261	/nfs/dbraw/zinc/53/42/61/552534261.db2.gz	ZYSILPASAUMGDB-QFIPXVFZSA-N	0	1	504.999	5.098	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000006150602	552551427	/nfs/dbraw/zinc/55/14/27/552551427.db2.gz	CMOHWWCDKQAUHM-DEOSSOPVSA-N	0	1	575.624	5.284	50	30		KKEAMN
N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000006150912	552551430	/nfs/dbraw/zinc/55/14/30/552551430.db2.gz	PBEROWGXIONHLG-JOCHJYFZSA-N	0	1	522.575	5.031	50	30		KKEAMN
Cc1ccc(Nc2nc(=NN=Cc3c(Cl)cccc3Cl)nc(N3CCOCC3)[nH]2)c(Br)c1	ZINC000006195178	552566891	/nfs/dbraw/zinc/56/68/91/552566891.db2.gz	RSPZLEWSSDPUSN-BRJLIKDPSA-N	0	1	537.249	5.276	50	30		KKEAMN
Cc1ccc(Nc2nc(N=NCc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)nc(N3CCOCC3)n2)c(Br)c1	ZINC000006195203	552567103	/nfs/dbraw/zinc/56/71/03/552567103.db2.gz	SWNPBCRWJKWZDR-CCVNUDIWSA-N	0	1	613.860	5.790	50	30		KKEAMN
CCN(CC)c1nc(N=NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc(Nc2ccc(C)c(Cl)c2)n1	ZINC000006512264	552597847	/nfs/dbraw/zinc/59/78/47/552597847.db2.gz	AZSFWUQMEUUZPV-JFLMPSFJSA-N	0	1	520.981	6.037	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc(OC)c1OC	ZINC000008383349	552986212	/nfs/dbraw/zinc/98/62/12/552986212.db2.gz	OOWXFXXAYYHXBR-RUZDIDTESA-N	0	1	633.679	6.524	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000008383371	552986466	/nfs/dbraw/zinc/98/64/66/552986466.db2.gz	QTLGTGSBKANYPH-DEOSSOPVSA-N	0	1	573.627	6.507	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1ccc(Cl)cc1	ZINC000008383388	552986496	/nfs/dbraw/zinc/98/64/96/552986496.db2.gz	DJMZFFHPMDLWAK-HHHXNRCGSA-N	0	1	610.116	8.166	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000008383400	552986505	/nfs/dbraw/zinc/98/65/05/552986505.db2.gz	PWBIHXULNGABPN-NDEPHWFRSA-N	0	1	646.190	8.582	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000008383731	552987420	/nfs/dbraw/zinc/98/74/20/552987420.db2.gz	CJCDTGJIXYSXPQ-SMSORMJASA-N	0	1	554.643	5.103	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3cccc(O)c3)s2)cc1	ZINC000008384040	552988697	/nfs/dbraw/zinc/98/86/97/552988697.db2.gz	RFLJRQXHFYXVEB-XMMPIXPASA-N	0	1	555.637	6.374	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H]1c1ccc(Cl)cc1	ZINC000008384052	552988753	/nfs/dbraw/zinc/98/87/53/552988753.db2.gz	NKWDMLCBLDGQAE-QHCPKHFHSA-N	0	1	594.501	7.666	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000008384084	552988901	/nfs/dbraw/zinc/98/89/01/552988901.db2.gz	NEWTTYMLPUJFST-DEOSSOPVSA-N	0	1	590.082	7.022	50	30		KKEAMN
Cc1ccc2cc(/N=C/c3cc(I)cc(I)c3O)ccc2n1	ZINC000008426982	553019111	/nfs/dbraw/zinc/01/91/11/553019111.db2.gz	OFZSBXAPRIFEQE-AWQFTUOYSA-N	0	1	514.104	5.209	50	30		KKEAMN
COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(Br)cc2)cc1	ZINC000008430981	553022179	/nfs/dbraw/zinc/02/21/79/553022179.db2.gz	AZILRVYKSGMKSM-HHHXNRCGSA-N	0	1	531.450	6.915	50	30		KKEAMN
CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)cc1	ZINC000008431514	553023440	/nfs/dbraw/zinc/02/34/40/553023440.db2.gz	CTKYMRBYNSQVIF-PMERELPUSA-N	0	1	515.053	7.124	50	30		KKEAMN
CCCCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1	ZINC000008432099	553025162	/nfs/dbraw/zinc/02/51/62/553025162.db2.gz	LHELGHRABIDSDF-YTTGMZPUSA-N	0	1	508.662	7.251	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1	ZINC000008433425	553028933	/nfs/dbraw/zinc/02/89/33/553028933.db2.gz	QPCWALGPIUTLKE-UUWRZZSWSA-N	0	1	582.656	7.540	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(OCc3ccccc3)cc2)nc1C	ZINC000008441174	553039773	/nfs/dbraw/zinc/03/97/73/553039773.db2.gz	SYPKFDTXRRYTAT-HHHXNRCGSA-N	0	1	564.619	6.762	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1	ZINC000008441162	553039837	/nfs/dbraw/zinc/03/98/37/553039837.db2.gz	SXIYPSFKPVARNS-DEOSSOPVSA-N	0	1	530.602	6.362	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1OCCC(C)C	ZINC000008441488	553040923	/nfs/dbraw/zinc/04/09/23/553040923.db2.gz	YJPKKOIEKGFSNF-LEBAXDHQSA-N	0	1	535.637	5.201	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C[C@H]2CCCO2)cc1	ZINC000008441518	553041243	/nfs/dbraw/zinc/04/12/43/553041243.db2.gz	JWAWBNWTSUPJDF-MQMJORGGSA-N	0	1	505.611	5.336	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1	ZINC000008441733	553041887	/nfs/dbraw/zinc/04/18/87/553041887.db2.gz	LZVLVVIRWWPNTE-JGCGQSQUSA-N	0	1	632.694	7.812	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1cccc(Br)c1	ZINC000008441817	553042446	/nfs/dbraw/zinc/04/24/46/553042446.db2.gz	INSGWHZXEZSEEC-HSZRJFAPSA-N	0	1	622.497	7.261	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1OCC	ZINC000008444061	553048995	/nfs/dbraw/zinc/04/89/95/553048995.db2.gz	OAMRIZUYZGDHNX-PBUKZNKTSA-N	0	1	538.688	7.575	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1OCCC	ZINC000008444094	553049007	/nfs/dbraw/zinc/04/90/07/553049007.db2.gz	YRAMIVRCEXKZOZ-FEERPNRMSA-N	0	1	552.715	7.965	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000008444105	553049310	/nfs/dbraw/zinc/04/93/10/553049310.db2.gz	KUHFNBIQGOQYCS-GUZYMRFCSA-N	0	1	542.679	8.080	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(N(CC)CC)cc3)CC(=O)C2[C@@H]1c1ccco1	ZINC000008445068	553053138	/nfs/dbraw/zinc/05/31/38/553053138.db2.gz	HJXSFSNWYRJIMN-RBBQXQBVSA-N	0	1	525.693	7.607	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000008450856	553059449	/nfs/dbraw/zinc/05/94/49/553059449.db2.gz	GZCRGCDQYGNXMM-QNLPTKCRSA-N	0	1	523.633	7.384	50	30		KKEAMN
Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000008450849	553059473	/nfs/dbraw/zinc/05/94/73/553059473.db2.gz	AABSDELTGRHGBY-UKJJDJLKSA-N	0	1	529.596	7.118	50	30		KKEAMN
O=C(c1ccccc1)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000008450854	553059488	/nfs/dbraw/zinc/05/94/88/553059488.db2.gz	TYEXOVCCGDDLER-GTYOFVGBSA-N	0	1	550.014	7.463	50	30		KKEAMN
CCN1C(=O)/C(=C\c2cc(Br)cc(Br)c2O)S/C1=N\c1ccc(C(=O)OC)cc1	ZINC000008452350	553063532	/nfs/dbraw/zinc/06/35/32/553063532.db2.gz	WQLRKOBPAFFREH-CBYHCJJPSA-N	0	1	540.233	5.328	50	30		KKEAMN
CCOC(=O)c1c2cc(Oc3nccc(Nc4ccc(C)cc4)c3C#N)ccc2n(-c2ccc(OC)cc2)c1CN(C)C	ZINC000008453879	553067151	/nfs/dbraw/zinc/06/71/51/553067151.db2.gz	IMFIIIIAIRCIJL-UHFFFAOYSA-N	0	1	575.669	6.988	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000008461999	553075712	/nfs/dbraw/zinc/07/57/12/553075712.db2.gz	ZBUKCLLNIIMZIB-FYSMJZIKSA-N	0	1	576.099	6.590	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/Cc1csc2ccccc12	ZINC000008648692	553107354	/nfs/dbraw/zinc/10/73/54/553107354.db2.gz	QHYNNSSGZPIJFS-FBCYGCLPSA-N	0	1	519.145	5.435	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000008695580	553122264	/nfs/dbraw/zinc/12/22/64/553122264.db2.gz	WBRPLGYKMHLJHB-PKHCJMHPSA-N	0	1	558.631	5.650	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000008695632	553122410	/nfs/dbraw/zinc/12/24/10/553122410.db2.gz	PLPGDHBJMHHZGN-IYLMVCPTSA-N	0	1	614.739	7.211	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Cl)c1	ZINC000008695622	553122438	/nfs/dbraw/zinc/12/24/38/553122438.db2.gz	MYNAMKRMYVTVBH-PVAZPRTOSA-N	0	1	559.106	7.838	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000008695631	553122443	/nfs/dbraw/zinc/12/24/43/553122443.db2.gz	PLPGDHBJMHHZGN-NMRUTFGKSA-N	0	1	614.739	7.211	50	30		KKEAMN
COc1cc([C@@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC	ZINC000008753236	553135444	/nfs/dbraw/zinc/13/54/44/553135444.db2.gz	JZKNWYQIRMPUSI-RGJYROARSA-N	0	1	616.758	8.224	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)Cc2ccccc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000008753263	553135700	/nfs/dbraw/zinc/13/57/00/553135700.db2.gz	FGNDYZKPCWKGSY-CZTRJMPPSA-N	0	1	604.703	6.864	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)Cc2ccccc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000008753275	553135762	/nfs/dbraw/zinc/13/57/62/553135762.db2.gz	FGNDYZKPCWKGSY-GNTYDJQKSA-N	0	1	604.703	6.864	50	30		KKEAMN
Cc1cc(C)nc(NC(=NC(=O)Nc2ccc(Cl)c(Cl)c2)NCCc2c[nH]c3ccc(Cl)cc23)n1	ZINC000008758784	553137224	/nfs/dbraw/zinc/13/72/24/553137224.db2.gz	ZBSKGSWDGPZGSK-UHFFFAOYSA-N	0	1	530.847	6.367	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(OC)c2)cc1	ZINC000008817135	553152383	/nfs/dbraw/zinc/15/23/83/553152383.db2.gz	RXDHRWYAKSZXCZ-QHCPKHFHSA-N	0	1	504.539	5.626	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(OC)c2)cc1	ZINC000008817136	553152630	/nfs/dbraw/zinc/15/26/30/553152630.db2.gz	RXDHRWYAKSZXCZ-HSZRJFAPSA-N	0	1	504.539	5.626	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3)sc2c1	ZINC000008817911	553153104	/nfs/dbraw/zinc/15/31/04/553153104.db2.gz	BBKVDSABWRYFRI-QHCPKHFHSA-N	0	1	504.539	5.626	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1cccnc1	ZINC000008846353	553166138	/nfs/dbraw/zinc/16/61/38/553166138.db2.gz	SGFYSGLIADLYHD-OGVWKLGRSA-N	0	1	521.705	7.860	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccco3)C2)cc1	ZINC000008846684	553166574	/nfs/dbraw/zinc/16/65/74/553166574.db2.gz	YXJBVGKGKIRLFE-WXTAPIANSA-N	0	1	508.540	7.040	50	30		KKEAMN
CCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000008860508	553170112	/nfs/dbraw/zinc/17/01/12/553170112.db2.gz	XKBJVQHMEXMFDZ-AREMUKBSSA-O	0	1	510.717	6.465	50	30	endogenous,in-man	KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccccc3)[C@H]2c2cccc(OCc3ccccc3)c2)C1	ZINC000008916666	553186784	/nfs/dbraw/zinc/18/67/84/553186784.db2.gz	UNZSIFQOJYJJCQ-XIFFEERXSA-N	0	1	528.652	7.722	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000008921221	553189720	/nfs/dbraw/zinc/18/97/20/553189720.db2.gz	IUFFTLQWVXMURO-LJQANCHMSA-N	0	1	511.422	6.212	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000008922516	553190253	/nfs/dbraw/zinc/19/02/53/553190253.db2.gz	NQLFCRPAZPLURZ-NRFANRHFSA-N	0	1	506.486	5.144	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000008973267	553195312	/nfs/dbraw/zinc/19/53/12/553195312.db2.gz	RNLRSQDMXHFLMY-OAQYLSRUSA-N	0	1	505.483	5.135	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000008987217	553196593	/nfs/dbraw/zinc/19/65/93/553196593.db2.gz	NQLFCRPAZPLURZ-OAQYLSRUSA-N	0	1	506.486	5.144	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1	ZINC000008987822	553196827	/nfs/dbraw/zinc/19/68/27/553196827.db2.gz	WDJMNOGHYNVHMK-QHCPKHFHSA-N	0	1	504.539	5.626	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000009007643	553198060	/nfs/dbraw/zinc/19/80/60/553198060.db2.gz	GNUHQRMFHBFHJO-NRFANRHFSA-N	0	1	505.508	5.288	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc(OC)c3OC)sc2c1	ZINC000009008613	553199082	/nfs/dbraw/zinc/19/90/82/553199082.db2.gz	METGUHAPAYEERY-JOCHJYFZSA-N	0	1	520.563	5.397	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000009019992	553201247	/nfs/dbraw/zinc/20/12/47/553201247.db2.gz	PXDITGAURYUQRG-QHCPKHFHSA-N	0	1	506.426	5.951	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000009041155	553202277	/nfs/dbraw/zinc/20/22/77/553202277.db2.gz	FFRHBRRPVXZQNG-OAQYLSRUSA-N	0	1	524.570	5.339	50	30		KKEAMN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Br)c2)sc1C	ZINC000009041130	553202291	/nfs/dbraw/zinc/20/22/91/553202291.db2.gz	SXUHVBXUZOTSBL-SFHVURJKSA-N	0	1	503.805	5.959	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)c(OCC)c2)c(C)c1	ZINC000009043249	553202922	/nfs/dbraw/zinc/20/29/22/553202922.db2.gz	NTOKNEWJUPQBJH-MHZLTWQESA-N	0	1	516.594	5.452	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl	ZINC000009044879	553203386	/nfs/dbraw/zinc/20/33/86/553203386.db2.gz	RYKZXAJIWQKOQX-NRFANRHFSA-N	0	1	514.987	5.222	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3OC)sc2c1	ZINC000009073050	553207026	/nfs/dbraw/zinc/20/70/26/553207026.db2.gz	YDJASJWQYNHFKJ-JOCHJYFZSA-N	0	1	506.967	5.750	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(F)cc1	ZINC000009109149	553209958	/nfs/dbraw/zinc/20/99/58/553209958.db2.gz	PAVOYJYOSFLOFV-WNSROMTISA-N	0	1	538.707	8.604	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(F)cc3)sc2c1	ZINC000009175789	553216149	/nfs/dbraw/zinc/21/61/49/553216149.db2.gz	ULLRWUDIIJGLBZ-HSZRJFAPSA-N	0	1	504.539	5.626	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)c(C)c1	ZINC000009176830	553216302	/nfs/dbraw/zinc/21/63/02/553216302.db2.gz	JHEZTIHBGWOWEC-VWLOTQADSA-N	0	1	525.432	6.654	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)ccc1OCc1ccccc1	ZINC000009240771	553226165	/nfs/dbraw/zinc/22/61/65/553226165.db2.gz	CRXWJSILSMLNQG-NDEPHWFRSA-N	0	1	525.004	6.401	50	30		KKEAMN
O=C(Cc1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000009264232	553228868	/nfs/dbraw/zinc/22/88/68/553228868.db2.gz	JHOCRMSNPIMRPL-SONOPUAISA-N	0	1	515.034	7.138	50	30		KKEAMN
COc1ccccc1[C@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)NC1CCCCC1	ZINC000009264331	553229106	/nfs/dbraw/zinc/22/91/06/553229106.db2.gz	MQMNGUZGUQURNX-WRGVRERRSA-N	0	1	511.622	6.705	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000009271224	553230652	/nfs/dbraw/zinc/23/06/52/553230652.db2.gz	BGPYXLCAVIZVRE-DEOSSOPVSA-N	0	1	516.550	5.792	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000009273787	553232158	/nfs/dbraw/zinc/23/21/58/553232158.db2.gz	VXHUSKUJVFZHNI-QHCPKHFHSA-N	0	1	520.563	5.397	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000009282356	553233868	/nfs/dbraw/zinc/23/38/68/553233868.db2.gz	QKDJJOSJBTUXET-AREMUKBSSA-N	0	1	502.567	5.056	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccnc3)ccc2O1	ZINC000009291564	553234623	/nfs/dbraw/zinc/23/46/23/553234623.db2.gz	KKGLGKATUPPIHV-DMZKTXOQSA-N	0	1	503.967	5.451	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1	ZINC000009291421	553234636	/nfs/dbraw/zinc/23/46/36/553234636.db2.gz	KBFQKSHIIIIFQA-MMTVBGGISA-N	0	1	512.606	5.753	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000009292793	553235088	/nfs/dbraw/zinc/23/50/88/553235088.db2.gz	CIZDZDPOHMSWPQ-KMRXNPHXSA-N	0	1	529.637	5.444	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1	ZINC000009302047	553236201	/nfs/dbraw/zinc/23/62/01/553236201.db2.gz	AFZXYLFVRZQWOH-QHCPKHFHSA-N	0	1	520.994	6.140	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)cc1OCC	ZINC000009308825	553237707	/nfs/dbraw/zinc/23/77/07/553237707.db2.gz	AUPDNFBQXZWBKL-NGOKVRLYSA-N	0	1	537.653	5.593	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000009311876	553239831	/nfs/dbraw/zinc/23/98/31/553239831.db2.gz	XYKMRLJUXLLMPD-ONOMSOESSA-N	0	1	511.618	6.358	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000009318988	553241327	/nfs/dbraw/zinc/24/13/27/553241327.db2.gz	CWGLHFVUPUMWRC-WRGVRERRSA-N	0	1	527.577	5.923	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000009328393	553242032	/nfs/dbraw/zinc/24/20/32/553242032.db2.gz	ONHMBDJMPCJCBB-CMJOXMDJSA-N	0	1	512.393	5.182	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000009329163	553242219	/nfs/dbraw/zinc/24/22/19/553242219.db2.gz	PAZMPQYNDRAPPJ-AREMUKBSSA-N	0	1	503.551	5.254	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(Cl)c(Cl)c2)s1	ZINC000009329486	553242503	/nfs/dbraw/zinc/24/25/03/553242503.db2.gz	HNNJYIFHCVQULG-DGIBIBHMSA-N	0	1	502.379	5.260	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000009353917	553245638	/nfs/dbraw/zinc/24/56/38/553245638.db2.gz	LTVUYMQMGPUMTA-HMILPKGGSA-N	0	1	513.590	5.586	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000009354046	553245754	/nfs/dbraw/zinc/24/57/54/553245754.db2.gz	XDRPSZWCHRHSQV-SMSORMJASA-N	0	1	525.645	6.400	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC	ZINC000009357407	553246898	/nfs/dbraw/zinc/24/68/98/553246898.db2.gz	WBPOJCSCICRMLA-QFIPXVFZSA-N	0	1	501.432	5.645	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC	ZINC000009357405	553246910	/nfs/dbraw/zinc/24/69/10/553246910.db2.gz	WBPOJCSCICRMLA-JOCHJYFZSA-N	0	1	501.432	5.645	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccc(O)cc1)c1ccccc1	ZINC000009357316	553246994	/nfs/dbraw/zinc/24/69/94/553246994.db2.gz	BJXZYXRYEDKUGE-OAQYLSRUSA-N	0	1	501.589	5.319	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000009358224	553247561	/nfs/dbraw/zinc/24/75/61/553247561.db2.gz	IKYOLTCLRRDVCK-WVXBCFDCSA-N	0	1	518.569	6.281	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1	ZINC000009358693	553247759	/nfs/dbraw/zinc/24/77/59/553247759.db2.gz	HWWRTYPEFIDGNN-ZAMGYDSWSA-N	0	1	504.514	5.681	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000009380170	553251824	/nfs/dbraw/zinc/25/18/24/553251824.db2.gz	AWWUWWOQTRVMIZ-HHHXNRCGSA-N	0	1	516.594	5.221	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OCCC)c(OC)c1	ZINC000009380747	553251969	/nfs/dbraw/zinc/25/19/69/553251969.db2.gz	NQMJUFKEYGJLAL-SSEXGKCCSA-N	0	1	504.671	7.207	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccs3)ccc2O1	ZINC000009403672	553255399	/nfs/dbraw/zinc/25/53/99/553255399.db2.gz	LIGUEBHFSASPQI-GTJPDFRWSA-N	0	1	509.008	6.118	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000009424254	553258528	/nfs/dbraw/zinc/25/85/28/553258528.db2.gz	YGIRHSJUUYIYMF-PPHZAIPVSA-N	0	1	501.579	5.806	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000009424251	553258539	/nfs/dbraw/zinc/25/85/39/553258539.db2.gz	YGIRHSJUUYIYMF-XHCCPWGMSA-N	0	1	501.579	5.806	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000009455085	553266278	/nfs/dbraw/zinc/26/62/78/553266278.db2.gz	UVJMEZNUZULDEJ-LMKMVOKYSA-N	0	1	508.401	6.138	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000009459415	553266643	/nfs/dbraw/zinc/26/66/43/553266643.db2.gz	VIGLXVGAUFJBEY-NDEPHWFRSA-N	0	1	513.590	5.805	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000009460810	553266904	/nfs/dbraw/zinc/26/69/04/553266904.db2.gz	VTYUUAYYGPBBMT-SANMLTNESA-N	0	1	505.014	5.367	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000009460810	553266905	/nfs/dbraw/zinc/26/69/05/553266905.db2.gz	VTYUUAYYGPBBMT-SANMLTNESA-N	0	1	505.014	5.367	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(N(C)C)cc1	ZINC000009460996	553267217	/nfs/dbraw/zinc/26/72/17/553267217.db2.gz	WXQLUGAQIWHWLR-MUUNZHRXSA-N	0	1	514.622	5.255	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000009461108	553267392	/nfs/dbraw/zinc/26/73/92/553267392.db2.gz	ZRTMNKUCVAVMFN-DEOSSOPVSA-N	0	1	517.006	6.467	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(O)c3)cc2)c1	ZINC000009461426	553267555	/nfs/dbraw/zinc/26/75/55/553267555.db2.gz	KFJZVELZHGXOPC-NDEPHWFRSA-N	0	1	523.589	5.145	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1	ZINC000009461338	553267578	/nfs/dbraw/zinc/26/75/78/553267578.db2.gz	HYXFSFIJUGQDQB-SSEXGKCCSA-N	0	1	521.613	7.069	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000009461291	553267591	/nfs/dbraw/zinc/26/75/91/553267591.db2.gz	UCAFMUBNNVNOCQ-MUUNZHRXSA-N	0	1	509.558	5.954	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(F)cc3)cc2)c1	ZINC000009463623	553269155	/nfs/dbraw/zinc/26/91/55/553269155.db2.gz	WXNXDQNVKMUPCX-XMMPIXPASA-N	0	1	500.551	5.953	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000009471422	553269998	/nfs/dbraw/zinc/26/99/98/553269998.db2.gz	YUZWOKWNMPRATA-VKGTZQKMSA-N	0	1	528.605	5.371	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000009993825	553324157	/nfs/dbraw/zinc/32/41/57/553324157.db2.gz	OBHYGBNXBCAPDA-MUUNZHRXSA-N	0	1	534.697	5.382	50	30		KKEAMN
CCN(Cc1ccccc1)c1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)cc1	ZINC000012112562	553351408	/nfs/dbraw/zinc/35/14/08/553351408.db2.gz	AMHMFDBBGUDGHQ-ICSRMJQJSA-N	0	1	524.662	6.192	50	30		KKEAMN
C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1	ZINC000012456354	553367079	/nfs/dbraw/zinc/36/70/79/553367079.db2.gz	SURVRQKYWPWYHG-UHFFFAOYSA-N	0	1	529.106	5.815	50	30		KKEAMN
COc1ccccc1[C@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)c1ccc(C)cc1	ZINC000012652376	553410025	/nfs/dbraw/zinc/41/00/25/553410025.db2.gz	CPOJYNXPCLRADE-UGDMGKLASA-N	0	1	504.586	6.811	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccccc3)cc2)c1	ZINC000013548895	553470023	/nfs/dbraw/zinc/47/00/23/553470023.db2.gz	KLVKCHLEGUBPSW-MUUNZHRXSA-N	0	1	507.590	5.439	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000013551608	553470447	/nfs/dbraw/zinc/47/04/47/553470447.db2.gz	QSMUOPWEFYVUJZ-AREMUKBSSA-N	0	1	502.567	5.062	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(Cl)c3)cc2)c1	ZINC000013571305	553473877	/nfs/dbraw/zinc/47/38/77/553473877.db2.gz	BOUKOHSAJXXNNW-MUUNZHRXSA-N	0	1	525.004	6.401	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000013571762	553474144	/nfs/dbraw/zinc/47/41/44/553474144.db2.gz	VPXNQFSYLZRSIP-NRFANRHFSA-N	0	1	522.554	5.033	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000013882119	553494199	/nfs/dbraw/zinc/49/41/99/553494199.db2.gz	YEFQGGDTEOUHGY-IPBJYNAHSA-N	0	1	509.606	7.076	50	30		KKEAMN
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NS(=O)(=O)c1ccccc1Br	ZINC000014086826	553500373	/nfs/dbraw/zinc/50/03/73/553500373.db2.gz	GAXQZFALVAOCFH-QGZVFWFLSA-N	0	1	510.240	6.521	50	30		KKEAMN
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12C[N@@H+](Cc1cc(C(=O)[O-])cs1)C[C@H]2c1ccc(C#N)cc1	ZINC000016052171	553555178	/nfs/dbraw/zinc/55/51/78/553555178.db2.gz	NXNKJLOEGWSJGI-BKMJKUGQSA-N	0	1	555.443	5.062	50	30	in-vivo	KKEAMN
O=C(c1cccc2ccccc21)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccccc1	ZINC000016478243	553565888	/nfs/dbraw/zinc/56/58/88/553565888.db2.gz	XNQHANOJPICOGL-IANOAQMISA-N	0	1	510.593	7.647	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000016713802	553575422	/nfs/dbraw/zinc/57/54/22/553575422.db2.gz	FUIZQMMOFKCRBN-QHCPKHFHSA-N	0	1	505.442	5.477	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000016713802	553575424	/nfs/dbraw/zinc/57/54/24/553575424.db2.gz	FUIZQMMOFKCRBN-QHCPKHFHSA-N	0	1	505.442	5.477	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2)cc1	ZINC000016729520	553575627	/nfs/dbraw/zinc/57/56/27/553575627.db2.gz	XWTAXIREUVLUAZ-JOCHJYFZSA-N	0	1	520.607	5.590	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000016729976	553576064	/nfs/dbraw/zinc/57/60/64/553576064.db2.gz	WQOMZOBWYCOEJQ-MUUNZHRXSA-N	0	1	533.621	6.280	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000016729918	553576075	/nfs/dbraw/zinc/57/60/75/553576075.db2.gz	PTZZGIKQEHVYOC-NDEPHWFRSA-N	0	1	533.621	6.425	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCCCC)c(OC)c2)cc1	ZINC000016730024	553576330	/nfs/dbraw/zinc/57/63/30/553576330.db2.gz	IALZFGZBKJIVTJ-MUUNZHRXSA-N	0	1	533.621	6.425	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F	ZINC000016731208	553577095	/nfs/dbraw/zinc/57/70/95/553577095.db2.gz	AXAAQKKDUDQNFA-MUUNZHRXSA-N	0	1	524.548	5.587	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(Cl)cc2Cl)cc1	ZINC000016732177	553577528	/nfs/dbraw/zinc/57/75/28/553577528.db2.gz	CNRIAVNUAFDKNO-LJQANCHMSA-N	0	1	517.390	5.752	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1OC	ZINC000016732870	553577672	/nfs/dbraw/zinc/57/76/72/553577672.db2.gz	LSIKJSKWULXLQP-CUBQBAPOSA-N	0	1	537.653	5.810	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1OC	ZINC000016732879	553577729	/nfs/dbraw/zinc/57/77/29/553577729.db2.gz	LSIKJSKWULXLQP-UFHPHHKVSA-N	0	1	537.653	5.810	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000016733188	553577879	/nfs/dbraw/zinc/57/78/79/553577879.db2.gz	NKEAFJSBHRCHAZ-HSZRJFAPSA-N	0	1	512.393	5.423	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000016741414	553579715	/nfs/dbraw/zinc/57/97/15/553579715.db2.gz	SHDUSANTIQGSEP-HOFKKMOUSA-N	0	1	513.546	5.007	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccncc2)cc1	ZINC000016742004	553580053	/nfs/dbraw/zinc/58/00/53/553580053.db2.gz	BSNGTCPDMQCYTL-NRFANRHFSA-N	0	1	516.604	5.017	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(CC)cc2)nc1C	ZINC000016805435	553582801	/nfs/dbraw/zinc/58/28/01/553582801.db2.gz	ISOKLQWNVCJHKE-OAQYLSRUSA-N	0	1	508.571	5.421	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(C)cc2)nc1C	ZINC000016805514	553583084	/nfs/dbraw/zinc/58/30/84/553583084.db2.gz	XVEWMIFIMNHMQW-OAQYLSRUSA-N	0	1	506.555	5.333	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@@H](c4cccc([N+](=O)[O-])c4)CC3=O)Nc3ccccc3N2C(C)=O)cc1OC	ZINC000017028936	553586817	/nfs/dbraw/zinc/58/68/17/553586817.db2.gz	VECBMELOEXSNLQ-OLILMLBXSA-N	0	1	513.550	5.533	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000070670144	553600636	/nfs/dbraw/zinc/60/06/36/553600636.db2.gz	RSJHOOMZERZSPH-WYOOIXGGSA-N	0	1	554.687	7.193	50	30	biogenic	KKEAMN
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)[C@H]3[C@@H]3O[C@]312	ZINC000070687871	553607617	/nfs/dbraw/zinc/60/76/17/553607617.db2.gz	RVDHJNLNSAIWPS-MJNMVDHYSA-N	0	1	536.663	5.197	50	30	biogenic	KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000018250758	553611531	/nfs/dbraw/zinc/61/15/31/553611531.db2.gz	QPJFBALCNWJORW-JPZYQRIQSA-N	0	1	527.596	7.215	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(F)c1	ZINC000018250747	553611557	/nfs/dbraw/zinc/61/15/57/553611557.db2.gz	BYKKQESTNQHJKV-JIYROHSKSA-N	0	1	512.625	7.315	50	30		KKEAMN
COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2ccc(F)cc2)c1	ZINC000018250723	553611577	/nfs/dbraw/zinc/61/15/77/553611577.db2.gz	LWWZDGPEXWLRMU-HFJWLAOPSA-N	0	1	510.487	6.297	50	30		KKEAMN
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc([N+](=O)[O-])c1O	ZINC000019938757	553637790	/nfs/dbraw/zinc/63/77/90/553637790.db2.gz	CSSITDPKQNXPQD-SOKVYYICSA-N	0	1	501.539	5.687	50	30		KKEAMN
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc([N+](=O)[O-])c1O	ZINC000019938760	553637811	/nfs/dbraw/zinc/63/78/11/553637811.db2.gz	CSSITDPKQNXPQD-XGCWNURASA-N	0	1	501.539	5.687	50	30		KKEAMN
CC(C)c1cc(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n2c3ccccc3nc2c1C#N	ZINC000020461153	553655793	/nfs/dbraw/zinc/65/57/93/553655793.db2.gz	KAYDTUQTQNKXHW-HKBQPEDESA-N	0	1	520.080	7.048	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1OCC	ZINC000020518391	553668822	/nfs/dbraw/zinc/66/88/22/553668822.db2.gz	YNNHJFSZFGATNL-WTYVLRPYSA-N	0	1	536.669	5.118	50	30		KKEAMN
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000020057886	553671407	/nfs/dbraw/zinc/67/14/07/553671407.db2.gz	SGSDZMYHBJYNEL-PMERELPUSA-N	0	1	520.080	6.795	50	30		KKEAMN
C=CCN1CC[C@@]23c4c5c(OC(=O)CCCCCCCCCCCCCC)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5	ZINC000085893471	553690372	/nfs/dbraw/zinc/69/03/72/553690372.db2.gz	AGIALSQRFZTBOP-XZLGBSMGSA-N	0	1	551.768	6.592	50	30	biogenic	KKEAMN
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3cccc(F)c3)nn1[C@@H]2c1ccc(Cl)cc1Cl	ZINC000020850554	553699884	/nfs/dbraw/zinc/69/98/84/553699884.db2.gz	AAVONNBNYWUGAB-OAQYLSRUSA-N	0	1	503.430	6.674	50	30		KKEAMN
N#Cc1c(OCC(F)(F)F)ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1OCC(F)(F)F	ZINC000095660903	553706747	/nfs/dbraw/zinc/70/67/47/553706747.db2.gz	HTBRXSMOBSPZOJ-UHFFFAOYSA-N	0	1	523.238	5.548	50	30		KKEAMN
N=C(Cc1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1)NOC(=O)Nc1ccc(SC(F)(F)F)cc1	ZINC000095703734	553709039	/nfs/dbraw/zinc/70/90/39/553709039.db2.gz	JACBNYSBSYCBQY-UHFFFAOYSA-N	0	1	578.922	7.008	50	30		KKEAMN
CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(/N=C\c3cc(Br)cc(Br)c3O)cc2)n1	ZINC000095704611	553709168	/nfs/dbraw/zinc/70/91/68/553709168.db2.gz	SVRAXVROVJPGJK-VYYCAZPPSA-N	0	1	533.308	7.449	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000021487006	553710163	/nfs/dbraw/zinc/71/01/63/553710163.db2.gz	CTEZODNOAZTCFO-NDEPHWFRSA-N	0	1	514.622	5.716	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000021487006	553710164	/nfs/dbraw/zinc/71/01/64/553710164.db2.gz	CTEZODNOAZTCFO-NDEPHWFRSA-N	0	1	514.622	5.716	50	30		KKEAMN
O=S(=O)(N=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccc(F)cc1)c1ccccc1	ZINC000096022569	553721484	/nfs/dbraw/zinc/72/14/84/553721484.db2.gz	OWMZVWZHXXXELA-UHFFFAOYSA-N	0	1	578.474	6.181	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939993	553763018	/nfs/dbraw/zinc/76/30/18/553763018.db2.gz	RRLYUKPELBVMDM-MMTVBGGISA-N	0	1	574.655	5.908	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939994	553763073	/nfs/dbraw/zinc/76/30/73/553763073.db2.gz	RRLYUKPELBVMDM-WTYVLRPYSA-N	0	1	574.655	5.908	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097940011	553763275	/nfs/dbraw/zinc/76/32/75/553763275.db2.gz	NDCFZRYTJPPKGU-WHLCRQNOSA-N	0	1	590.654	5.744	50	30		KKEAMN
CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccc(Cl)cc1Cl	ZINC000097945650	553773621	/nfs/dbraw/zinc/77/36/21/553773621.db2.gz	PGQPWJLEXVHILY-PRAQEBQASA-N	0	1	533.499	8.211	50	30		KKEAMN
CC(C)C(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000097945861	553775207	/nfs/dbraw/zinc/77/52/07/553775207.db2.gz	LLYWPZMAOVCHNV-SLGOVJDISA-N	0	1	537.660	7.449	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1	ZINC000097951307	553808095	/nfs/dbraw/zinc/80/80/95/553808095.db2.gz	BKYGTHIHFAFWKC-HKBQPEDESA-N	0	1	517.754	9.055	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1	ZINC000097951534	553809623	/nfs/dbraw/zinc/80/96/23/553809623.db2.gz	QSHGWWUEKKHDEQ-JGCGQSQUSA-N	0	1	547.780	9.063	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000097951665	553810503	/nfs/dbraw/zinc/81/05/03/553810503.db2.gz	QXNGXERAVHRNTD-MUUNZHRXSA-N	0	1	535.556	5.656	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(F)cc3)cc2)c1	ZINC000097952212	553813756	/nfs/dbraw/zinc/81/37/56/553813756.db2.gz	GXLHTYLBMXMZKJ-LJAQVGFWSA-N	0	1	544.623	5.014	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000097952349	553815095	/nfs/dbraw/zinc/81/50/95/553815095.db2.gz	QLSQEGRSJGJJDI-LJAQVGFWSA-N	0	1	539.584	5.963	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccco2)ccc1O	ZINC000097952408	553815692	/nfs/dbraw/zinc/81/56/92/553815692.db2.gz	YLUKYYTVCSATGD-GDLZYMKVSA-N	0	1	539.584	6.050	50	30		KKEAMN
COc1ccc(CCNC(=O)C(C#N)c2nc3ccccc3nc2N2CCC(Cc3ccccc3)CC2)cc1OC	ZINC000097953935	553820001	/nfs/dbraw/zinc/82/00/01/553820001.db2.gz	BPSQROUOIPXLDH-SANMLTNESA-N	0	1	549.675	5.072	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000097954112	553821215	/nfs/dbraw/zinc/82/12/15/553821215.db2.gz	CSGNTBDHMOTJSV-JPZYQRIQSA-N	0	1	531.608	6.623	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCOC)ccc1OCc1ccccc1	ZINC000097954193	553821893	/nfs/dbraw/zinc/82/18/93/553821893.db2.gz	SJTHBNNJFSFNRK-AFJIDDCJSA-N	0	1	543.616	5.212	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097954245	553822500	/nfs/dbraw/zinc/82/25/00/553822500.db2.gz	KEMIBBGCUJIMDQ-IIMAJNMQSA-N	0	1	539.628	5.795	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000097954412	553822904	/nfs/dbraw/zinc/82/29/04/553822904.db2.gz	RAPSEPAVQXGILY-URAOTHONSA-N	0	1	541.644	6.366	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000097954669	553824619	/nfs/dbraw/zinc/82/46/19/553824619.db2.gz	BNHCWUMBPCBROZ-AFJIDDCJSA-N	0	1	545.632	6.205	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1	ZINC000097954704	553824978	/nfs/dbraw/zinc/82/49/78/553824978.db2.gz	MJMOUHKXEOJDHQ-YTTGMZPUSA-N	0	1	546.796	8.812	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000097954767	553825377	/nfs/dbraw/zinc/82/53/77/553825377.db2.gz	MVZOSVJOUXKDQR-URAOTHONSA-N	0	1	541.644	6.019	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000097954770	553825381	/nfs/dbraw/zinc/82/53/81/553825381.db2.gz	MVZOSVJOUXKDQR-DFXYEROKSA-N	0	1	541.644	6.019	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000097954768	553825411	/nfs/dbraw/zinc/82/54/11/553825411.db2.gz	MVZOSVJOUXKDQR-JRPXNJEYSA-N	0	1	541.644	6.019	50	30		KKEAMN
O=[N+]([O-])c1cc2c(cc1C=NN=c1[nH]c3ccc(Br)cc3cc1-c1ccccc1)OCCO2	ZINC000027469047	553826060	/nfs/dbraw/zinc/82/60/60/553826060.db2.gz	MYEUHXQAFFLRCC-WGARJPEWSA-N	0	1	505.328	5.790	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1	ZINC000097955093	553828311	/nfs/dbraw/zinc/82/83/11/553828311.db2.gz	KCWSQGLZNSUALN-ZLOXQWCVSA-N	0	1	565.420	6.304	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1	ZINC000097955098	553828768	/nfs/dbraw/zinc/82/87/68/553828768.db2.gz	TZWIOFFRPCDVQH-JCQPUDPBSA-N	0	1	537.424	6.709	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(N(C)C)cc2)cc1	ZINC000097955138	553829002	/nfs/dbraw/zinc/82/90/02/553829002.db2.gz	YESDDPUHNOZCHV-SSEXGKCCSA-N	0	1	533.628	5.814	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1	ZINC000097955145	553829073	/nfs/dbraw/zinc/82/90/73/553829073.db2.gz	PKIBAAPQKOEGNY-JCQPUDPBSA-N	0	1	520.969	6.195	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097955153	553829194	/nfs/dbraw/zinc/82/91/94/553829194.db2.gz	OQDXHXHTRSTLSH-JRPXNJEYSA-N	0	1	532.596	5.763	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000097955756	553833572	/nfs/dbraw/zinc/83/35/72/553833572.db2.gz	GZTNQWAAWSLBJQ-AFJIDDCJSA-N	0	1	542.632	5.761	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2F)nc1C	ZINC000097955738	553833621	/nfs/dbraw/zinc/83/36/21/553833621.db2.gz	UPOYRDYLGPRMFH-RCDICMHDSA-N	0	1	534.565	5.040	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000097955757	553833633	/nfs/dbraw/zinc/83/36/33/553833633.db2.gz	GZTNQWAAWSLBJQ-WRONEBCDSA-N	0	1	542.632	5.761	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000097955836	553834175	/nfs/dbraw/zinc/83/41/75/553834175.db2.gz	JTRKYSNNLOICRC-VWLOTQADSA-N	0	1	526.570	5.276	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000097955819	553834211	/nfs/dbraw/zinc/83/42/11/553834211.db2.gz	AEUUSYFXXRZTGH-AREMUKBSSA-N	0	1	526.614	6.212	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000097956804	553841810	/nfs/dbraw/zinc/84/18/10/553841810.db2.gz	SVFFIBAJYFKRML-FQEVSTJZSA-N	0	1	526.998	5.382	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000097956807	553841957	/nfs/dbraw/zinc/84/19/57/553841957.db2.gz	FVTKYUWUKGMJGG-RUZDIDTESA-N	0	1	570.623	6.130	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC=C)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000097956862	553842718	/nfs/dbraw/zinc/84/27/18/553842718.db2.gz	FFTWLGZPWPGMRA-QHCPKHFHSA-N	0	1	548.592	5.590	50	30		KKEAMN
COc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1cc(I)cc(I)c1O	ZINC000097958579	553855930	/nfs/dbraw/zinc/85/59/30/553855930.db2.gz	OLYMHSFGDJLTMN-BHGWPJFGSA-N	0	1	596.162	6.169	50	30		KKEAMN
CCOc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1	ZINC000097960013	553867646	/nfs/dbraw/zinc/86/76/46/553867646.db2.gz	CAAFGINEZZDPEP-DHUJRADRSA-N	0	1	638.233	9.331	50	30		KKEAMN
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000032822175	553875313	/nfs/dbraw/zinc/87/53/13/553875313.db2.gz	IHNKQIMGVNPMTC-RUZDIDTESA-O	0	1	524.700	5.992	50	30	endogenous,in-man	KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccc(Br)c1	ZINC000097966793	553910474	/nfs/dbraw/zinc/91/04/74/553910474.db2.gz	XBKOPFMOZUEHHR-SANMLTNESA-N	0	1	550.449	5.951	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000097966845	553911074	/nfs/dbraw/zinc/91/10/74/553911074.db2.gz	OGWCBFZVKWTKIE-UKPGIYTDSA-N	0	1	565.622	6.359	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2ccco2)cc(OC)c1OC	ZINC000097966945	553912240	/nfs/dbraw/zinc/91/22/40/553912240.db2.gz	PYIUBFOGUCVBBM-GDLZYMKVSA-N	0	1	569.610	5.971	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)ccc1OCc1ccccc1	ZINC000097967128	553913802	/nfs/dbraw/zinc/91/38/02/553913802.db2.gz	QRDQJLOFRORMRH-IIMAJNMQSA-N	0	1	557.643	5.603	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)ccc1OCc1ccccc1	ZINC000097967126	553913820	/nfs/dbraw/zinc/91/38/20/553913820.db2.gz	QRDQJLOFRORMRH-URAOTHONSA-N	0	1	557.643	5.603	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000097967153	553914500	/nfs/dbraw/zinc/91/45/00/553914500.db2.gz	XREWXWSKDPLTJJ-MUUNZHRXSA-N	0	1	561.631	5.215	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000097967214	553915404	/nfs/dbraw/zinc/91/54/04/553915404.db2.gz	ACDQGJAYPDPCRM-ICACTRECSA-N	0	1	561.634	6.376	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000097967276	553916153	/nfs/dbraw/zinc/91/61/53/553916153.db2.gz	UGGMAUWYQQHSKB-DLUDVSRJSA-N	0	1	581.477	7.108	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1	ZINC000097967324	553916748	/nfs/dbraw/zinc/91/67/48/553916748.db2.gz	QRUCWGBDRFNKLQ-NPMABZOXSA-N	0	1	565.420	6.304	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)s2)cc1	ZINC000097967497	553919492	/nfs/dbraw/zinc/91/94/92/553919492.db2.gz	AHTBQTNYGQAKDN-SMSORMJASA-N	0	1	641.815	7.670	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000097967580	553920534	/nfs/dbraw/zinc/92/05/34/553920534.db2.gz	XQHJSVUEZFVOCF-QHCPKHFHSA-N	0	1	579.428	5.622	50	30		KKEAMN
CCCc1sc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c2C)c(C#N)c1C	ZINC000033332201	553921025	/nfs/dbraw/zinc/92/10/25/553921025.db2.gz	XHFDFJYQVYGPDE-BKUYFWCQSA-N	0	1	502.665	6.268	50	30		KKEAMN
Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000033332293	553921127	/nfs/dbraw/zinc/92/11/27/553921127.db2.gz	GMPDSISELJCTOI-NDENLUEZSA-N	0	1	521.067	6.231	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000097967653	553921472	/nfs/dbraw/zinc/92/14/72/553921472.db2.gz	LZRYSKVQLKYAJP-HFJWLAOPSA-N	0	1	585.707	6.254	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1	ZINC000097967690	553921727	/nfs/dbraw/zinc/92/17/27/553921727.db2.gz	DHPUARWSFKWTAH-TWEZTRHFSA-N	0	1	741.891	9.068	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1	ZINC000097967683	553921840	/nfs/dbraw/zinc/92/18/40/553921840.db2.gz	WPEBPSGZKKPAGL-PMERELPUSA-N	0	1	630.719	6.683	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000097967704	553921845	/nfs/dbraw/zinc/92/18/45/553921845.db2.gz	AUDIOSAGIXFCJF-ROTAYESASA-N	0	1	706.286	8.558	50	30		KKEAMN
Cc1ccccc1C(=O)Nc1cccc(/N=C/c2cc(I)cc(I)c2O)c1	ZINC000033353068	553922916	/nfs/dbraw/zinc/92/29/16/553922916.db2.gz	RYGIRRZKQXRKSM-WYMPLXKRSA-N	0	1	582.179	5.913	50	30		KKEAMN
Oc1ccc(-c2ccccc2)cc1/N=C/c1cc(I)cc(I)c1O	ZINC000033353067	553922918	/nfs/dbraw/zinc/92/29/18/553922918.db2.gz	SDFPITRRLRXYHA-SSDVNMTOSA-N	0	1	541.126	5.725	50	30		KKEAMN
CC(C)CCN(CCC(C)C)S(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)N(CCC(C)C)CCC(C)C)cc1[N+](=O)[O-])C2=NO	ZINC000033353138	553923032	/nfs/dbraw/zinc/92/30/32/553923032.db2.gz	NXWNSNUKCYBKLZ-UHFFFAOYSA-N	0	1	723.915	6.876	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000097967828	553923568	/nfs/dbraw/zinc/92/35/68/553923568.db2.gz	IDQIMHRJIATBES-OWJWWREXSA-N	0	1	577.634	6.215	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C	ZINC000097967811	553923609	/nfs/dbraw/zinc/92/36/09/553923609.db2.gz	NJEQMFHQUVQSEO-YRVHBCJASA-N	0	1	619.139	7.490	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1	ZINC000097967854	553923921	/nfs/dbraw/zinc/92/39/21/553923921.db2.gz	NXCVWUZIHWXKHL-YTTGMZPUSA-N	0	1	693.803	7.362	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000097967851	553924132	/nfs/dbraw/zinc/92/41/32/553924132.db2.gz	VUOHDBJGJHSMNN-LDLUVENISA-N	0	1	712.677	8.431	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000097967865	553924364	/nfs/dbraw/zinc/92/43/64/553924364.db2.gz	ZDPFFHAHSJRRKP-DEOSSOPVSA-N	0	1	591.642	5.532	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC	ZINC000097967888	553924377	/nfs/dbraw/zinc/92/43/77/553924377.db2.gz	RRCSXHKNYCYNCU-RUZDIDTESA-N	0	1	578.643	5.396	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097967880	553924470	/nfs/dbraw/zinc/92/44/70/553924470.db2.gz	UIZNVBVRPNRAGH-AREMUKBSSA-N	0	1	617.680	6.088	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000097967878	553924561	/nfs/dbraw/zinc/92/45/61/553924561.db2.gz	HOFFWJVFEFIQKB-JGCGQSQUSA-N	0	1	695.819	7.725	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097967923	553925447	/nfs/dbraw/zinc/92/54/47/553925447.db2.gz	NNYRPFRHBMAJDH-SSEXGKCCSA-N	0	1	708.258	8.006	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000097967930	553925483	/nfs/dbraw/zinc/92/54/83/553925483.db2.gz	XZKKJLVXNREWMC-UUWRZZSWSA-N	0	1	699.810	8.117	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000097967929	553925506	/nfs/dbraw/zinc/92/55/06/553925506.db2.gz	MLRNZJPIISMKME-LJAQVGFWSA-N	0	1	694.231	7.616	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097967983	553925662	/nfs/dbraw/zinc/92/56/62/553925662.db2.gz	TZAWULTVEYQWLQ-MUUNZHRXSA-N	0	1	664.205	7.607	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000097967953	553925793	/nfs/dbraw/zinc/92/57/93/553925793.db2.gz	NOQBVTPNXLWNOH-SONOPUAISA-N	0	1	678.232	7.778	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)s2)cc1	ZINC000097967997	553926145	/nfs/dbraw/zinc/92/61/45/553926145.db2.gz	QLPDDCKTSIZZEL-HKBQPEDESA-N	0	1	663.777	7.272	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1	ZINC000097968008	553926208	/nfs/dbraw/zinc/92/62/08/553926208.db2.gz	ZSLBLIASEMFZGN-BHVANESWSA-N	0	1	743.863	8.515	50	30		KKEAMN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000097968081	553927313	/nfs/dbraw/zinc/92/73/13/553927313.db2.gz	FXUHWXCZLQFBCA-SANMLTNESA-N	0	1	603.697	6.647	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097968107	553927957	/nfs/dbraw/zinc/92/79/57/553927957.db2.gz	AULUGEMZVSFNTB-OYLFLEFRSA-N	0	1	594.089	6.729	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(O)c3)ccc2O1	ZINC000097968140	553928293	/nfs/dbraw/zinc/92/82/93/553928293.db2.gz	MYZDVXFCBJTFIY-OYLFLEFRSA-N	0	1	592.098	6.296	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097968137	553928307	/nfs/dbraw/zinc/92/83/07/553928307.db2.gz	WDSYBBCGYMQJDO-NDEPHWFRSA-N	0	1	647.750	7.093	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000097968180	553928658	/nfs/dbraw/zinc/92/86/58/553928658.db2.gz	ZZQLHPFTIJGJIS-SSEXGKCCSA-N	0	1	667.740	7.103	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000097968181	553928758	/nfs/dbraw/zinc/92/87/58/553928758.db2.gz	ZZQLHPFTIJGJIS-PMERELPUSA-N	0	1	667.740	7.103	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097968224	553929106	/nfs/dbraw/zinc/92/91/06/553929106.db2.gz	GIRPCHSRKHFDSK-MUUNZHRXSA-N	0	1	664.205	7.607	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1	ZINC000097968221	553929126	/nfs/dbraw/zinc/92/91/26/553929126.db2.gz	GXTGLEXZEVHBKH-YTTGMZPUSA-N	0	1	711.793	7.501	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097968227	553929226	/nfs/dbraw/zinc/92/92/26/553929226.db2.gz	SKHLCEVCIHEOGY-SOKVYYICSA-N	0	1	668.624	8.032	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1	ZINC000097968259	553929508	/nfs/dbraw/zinc/92/95/08/553929508.db2.gz	HMHRHUWNNALJLP-YTTGMZPUSA-N	0	1	728.248	8.016	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000097968235	553929576	/nfs/dbraw/zinc/92/95/76/553929576.db2.gz	HXTMSVDTAFEYJU-DEOSSOPVSA-N	0	1	636.107	5.825	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097968341	553930658	/nfs/dbraw/zinc/93/06/58/553930658.db2.gz	SQWKXVLEBPNVIA-WJOKGBTCSA-N	0	1	687.840	7.661	50	30		KKEAMN
O=C(N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl)C(F)(F)F	ZINC000033354713	553930809	/nfs/dbraw/zinc/93/08/09/553930809.db2.gz	IDXCCYAGSIZIIS-LMKMVOKYSA-N	0	1	531.361	7.456	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097968406	553931961	/nfs/dbraw/zinc/93/19/61/553931961.db2.gz	ZFNCNKOWNWQFCI-SSEXGKCCSA-N	0	1	673.813	7.352	50	30		KKEAMN
CCOc1cccc(N2C(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)C(=O)NC2=S)c1	ZINC000033355549	553935513	/nfs/dbraw/zinc/93/55/13/553935513.db2.gz	XPYJSTDNTVQBEV-UUYOSTAYSA-N	0	1	562.445	5.970	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000033355647	553935841	/nfs/dbraw/zinc/93/58/41/553935841.db2.gz	GMCUHKJVWDYORJ-QYBDOPJKSA-N	0	1	546.601	5.476	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097969122	553936866	/nfs/dbraw/zinc/93/68/66/553936866.db2.gz	VWHFSYNIMIFKAS-BGOLNKOXSA-N	0	1	682.223	8.169	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1	ZINC000097969175	553937473	/nfs/dbraw/zinc/93/74/73/553937473.db2.gz	SKRMMPJOKWQXRQ-ZAMGYDSWSA-N	0	1	581.875	6.819	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097969200	553937830	/nfs/dbraw/zinc/93/78/30/553937830.db2.gz	WHALWRZCWJRFPQ-JPZYQRIQSA-N	0	1	647.778	7.516	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C	ZINC000097969270	553938742	/nfs/dbraw/zinc/93/87/42/553938742.db2.gz	DHZHZEHZXHOIBO-HHHXNRCGSA-N	0	1	598.652	6.604	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000097969307	553939466	/nfs/dbraw/zinc/93/94/66/553939466.db2.gz	JSLHESFWNCGKAX-SSEXGKCCSA-N	0	1	567.594	5.807	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097969338	553939693	/nfs/dbraw/zinc/93/96/93/553939693.db2.gz	WHQXNSFCKMKFMA-XHCCPWGMSA-N	0	1	597.718	6.502	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000097969321	553939794	/nfs/dbraw/zinc/93/97/94/553939794.db2.gz	UFPNYWSDGXRUHU-YTTGMZPUSA-N	0	1	660.748	8.091	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000097969352	553940150	/nfs/dbraw/zinc/94/01/50/553940150.db2.gz	VMQLPWCVMRDZBD-DAOPMYJZSA-N	0	1	555.414	6.849	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000097969342	553940217	/nfs/dbraw/zinc/94/02/17/553940217.db2.gz	RVFBZUUSSBOFIF-BZQUYTCOSA-N	0	1	591.483	6.564	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1	ZINC000097969421	553940774	/nfs/dbraw/zinc/94/07/74/553940774.db2.gz	LFVQFIBNKGWUIU-DHUJRADRSA-N	0	1	618.730	6.667	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000097969427	553940861	/nfs/dbraw/zinc/94/08/61/553940861.db2.gz	WDJBJSBOOZICDU-WJOKGBTCSA-N	0	1	570.686	5.273	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000097969528	553941883	/nfs/dbraw/zinc/94/18/83/553941883.db2.gz	FOQOCPKLYJPGJE-WKRVVKTRSA-N	0	1	555.671	6.612	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097969734	553944165	/nfs/dbraw/zinc/94/41/65/553944165.db2.gz	KCRJCYIUCXXRLV-ADXZGYQBSA-N	0	1	659.761	7.039	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097969802	553945054	/nfs/dbraw/zinc/94/50/54/553945054.db2.gz	AMHBIEZHIKSDKD-KEEVHDRGSA-N	0	1	675.804	7.653	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097969838	553945607	/nfs/dbraw/zinc/94/56/07/553945607.db2.gz	KXGYQRZJBARZSK-XDBZFTIUSA-N	0	1	682.651	8.422	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1	ZINC000097969849	553945886	/nfs/dbraw/zinc/94/58/86/553945886.db2.gz	ZNQCJUQMDVAOIW-DFXYEROKSA-N	0	1	556.659	5.128	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1	ZINC000097969847	553945978	/nfs/dbraw/zinc/94/59/78/553945978.db2.gz	ZNQCJUQMDVAOIW-JRPXNJEYSA-N	0	1	556.659	5.128	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000097969877	553946580	/nfs/dbraw/zinc/94/65/80/553946580.db2.gz	KXDXKEJYRGLENW-QUGAMOGWSA-N	0	1	606.697	5.922	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097969910	553946854	/nfs/dbraw/zinc/94/68/54/553946854.db2.gz	FGZQKCDTOTUZRF-BGOLNKOXSA-N	0	1	665.768	7.655	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000097969930	553947420	/nfs/dbraw/zinc/94/74/20/553947420.db2.gz	RNNWUVCNSWVOAV-JBEBIEQOSA-N	0	1	561.015	5.843	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097969966	553947671	/nfs/dbraw/zinc/94/76/71/553947671.db2.gz	BOWCSTDDFGOAHZ-SSEXGKCCSA-N	0	1	557.643	5.856	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1	ZINC000097970052	553948478	/nfs/dbraw/zinc/94/84/78/553948478.db2.gz	PYXPWTNMGLEOJT-ULKXQASOSA-N	0	1	726.276	8.568	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097970084	553948992	/nfs/dbraw/zinc/94/89/92/553948992.db2.gz	NTIWBJYMIOKGIL-DNOBIOAJSA-N	0	1	634.179	7.379	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097970082	553949077	/nfs/dbraw/zinc/94/90/77/553949077.db2.gz	NTIWBJYMIOKGIL-XRHLQHRESA-N	0	1	634.179	7.379	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1	ZINC000097970054	553949086	/nfs/dbraw/zinc/94/90/86/553949086.db2.gz	PYXPWTNMGLEOJT-DHYKOVJISA-N	0	1	726.276	8.568	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000097970177	553950462	/nfs/dbraw/zinc/95/04/62/553950462.db2.gz	MVPVQGWSAHCHKN-PMERELPUSA-N	0	1	557.643	5.856	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097970197	553950871	/nfs/dbraw/zinc/95/08/71/553950871.db2.gz	UQNYJGMXKNFWLD-BGOLNKOXSA-N	0	1	689.831	8.044	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097970229	553951103	/nfs/dbraw/zinc/95/11/03/553951103.db2.gz	KUJPFCDOETZZLO-KCWXNJEJSA-N	0	1	627.788	7.362	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000097970322	553952593	/nfs/dbraw/zinc/95/25/93/553952593.db2.gz	MLPWQONVIIZLMF-WJOKGBTCSA-N	0	1	568.198	9.408	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C	ZINC000097970421	553953675	/nfs/dbraw/zinc/95/36/75/553953675.db2.gz	XUDSBENVHAIAHX-DMZKTXOQSA-N	0	1	641.496	5.377	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097970409	553953722	/nfs/dbraw/zinc/95/37/22/553953722.db2.gz	KZIHFEIHDFKNLJ-DFXYEROKSA-N	0	1	657.814	7.514	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000097970432	553954195	/nfs/dbraw/zinc/95/41/95/553954195.db2.gz	HWJRXJRFVWQPMP-RKNYENMMSA-N	0	1	567.450	6.718	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097970525	553955489	/nfs/dbraw/zinc/95/54/89/553955489.db2.gz	QXKHCNZXMLNJDA-HFJWLAOPSA-N	0	1	585.707	6.335	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097970526	553955578	/nfs/dbraw/zinc/95/55/78/553955578.db2.gz	QXKHCNZXMLNJDA-QYBDOPJKSA-N	0	1	585.707	6.335	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000033358445	553955673	/nfs/dbraw/zinc/95/56/73/553955673.db2.gz	KHTSBBCEXSDIDZ-ZWVRTZEQSA-N	0	1	554.687	7.193	50	30		KKEAMN
O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1)C(F)(F)F	ZINC000033358443	553955679	/nfs/dbraw/zinc/95/56/79/553955679.db2.gz	IPXIYQHZJULSQO-BNHRFMORSA-N	0	1	568.595	7.729	50	30		KKEAMN
O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1)C(F)(F)F	ZINC000033358441	553955756	/nfs/dbraw/zinc/95/57/56/553955756.db2.gz	IPXIYQHZJULSQO-QNLPTKCRSA-N	0	1	568.595	7.729	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097970563	553955854	/nfs/dbraw/zinc/95/58/54/553955854.db2.gz	GZRSESOBCJBNCF-BGOLNKOXSA-N	0	1	706.286	8.558	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097970605	553956349	/nfs/dbraw/zinc/95/63/49/553956349.db2.gz	CJSBRYRZCMCVEJ-OYLFLEFRSA-N	0	1	610.544	7.244	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000097970658	553957125	/nfs/dbraw/zinc/95/71/25/553957125.db2.gz	MLYLDZZQDADUFG-PMERELPUSA-N	0	1	550.611	5.765	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097970648	553957184	/nfs/dbraw/zinc/95/71/84/553957184.db2.gz	FPQWFEQPZUUKFO-ACSYHNTCSA-N	0	1	645.778	7.645	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000097970696	553957467	/nfs/dbraw/zinc/95/74/67/553957467.db2.gz	RSEGNZCTDVBTEP-NSYGIPOTSA-N	0	1	571.680	5.945	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OC	ZINC000097970701	553957587	/nfs/dbraw/zinc/95/75/87/553957587.db2.gz	WZKVPONGTKWLDM-ONOMSOESSA-N	0	1	559.663	5.453	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000097970945	553959573	/nfs/dbraw/zinc/95/95/73/553959573.db2.gz	VBBYEDRFOMDYGO-IIMAJNMQSA-N	0	1	556.659	6.151	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Br)c1	ZINC000097970957	553959971	/nfs/dbraw/zinc/95/99/71/553959971.db2.gz	JDZJEOAVSIVZTH-NDEPHWFRSA-N	0	1	591.502	5.247	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1	ZINC000097971023	553960566	/nfs/dbraw/zinc/96/05/66/553960566.db2.gz	QCJYYMFPYGRORH-APYJYERMSA-N	0	1	576.649	6.161	50	30		KKEAMN
COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C/c2c(=O)n3cccc(C)c3nc2Nc2ccc(SC(F)F)cc2)cc1	ZINC000097984063	554013822	/nfs/dbraw/zinc/01/38/22/554013822.db2.gz	PDROOUDBVKNANS-ATZGPIRCSA-N	0	1	681.703	6.225	50	30		KKEAMN
Cc1ccc2oc(-c3cccc(/N=C/c4cc(I)cc(I)c4O)c3C)nc2c1	ZINC000097994464	554031832	/nfs/dbraw/zinc/03/18/32/554031832.db2.gz	TTWQKSBQLSXNDT-OPEKNORGSA-N	0	1	594.190	6.777	50	30		KKEAMN
COc1ccccc1-c1nc2cc(/N=C/c3cc(I)cc(I)c3O)ccc2o1	ZINC000097997796	554040489	/nfs/dbraw/zinc/04/04/89/554040489.db2.gz	SISDCWIRNNXMFT-BHGWPJFGSA-N	0	1	596.162	6.169	50	30		KKEAMN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]3c2cccc(Br)c2)cc1	ZINC000097999728	554045362	/nfs/dbraw/zinc/04/53/62/554045362.db2.gz	VFAOANYDHBAZJF-JIYROHSKSA-N	0	1	632.385	9.279	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1	ZINC000097999795	554045935	/nfs/dbraw/zinc/04/59/35/554045935.db2.gz	RTCUDCAEILXUHW-NJWQRWAZSA-N	0	1	775.298	9.567	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1	ZINC000097999899	554046749	/nfs/dbraw/zinc/04/67/49/554046749.db2.gz	NJWBJSXLEHEPKW-WZPDBAAASA-N	0	1	655.622	9.528	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1	ZINC000097999897	554046832	/nfs/dbraw/zinc/04/68/32/554046832.db2.gz	NJWBJSXLEHEPKW-ZTUXGFDNSA-N	0	1	655.622	9.528	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)cc1	ZINC000098000311	554050196	/nfs/dbraw/zinc/05/01/96/554050196.db2.gz	KFHIYXQKPYEBNI-CVYDZTKKSA-N	0	1	556.662	6.925	50	30		KKEAMN
COc1cccc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1	ZINC000098003641	554055670	/nfs/dbraw/zinc/05/56/70/554055670.db2.gz	HFWGGMFQMKEJNU-YQPGIBNTSA-N	0	1	604.703	7.244	50	30		KKEAMN
N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@@H](c1cccs1)N1CCCCC1	ZINC000035671620	554062664	/nfs/dbraw/zinc/06/26/64/554062664.db2.gz	DVSJSWYUWIKLTP-VWLOTQADSA-N	0	1	519.070	7.146	50	30		KKEAMN
COc1cc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3cc(C(=O)c4ccccc4)ccc3N2C(C)=O)cc(OC)c1OC	ZINC000098045117	554130817	/nfs/dbraw/zinc/13/08/17/554130817.db2.gz	NQMXDOJFHFCBJI-SSEXGKCCSA-N	0	1	554.643	6.106	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1F)c1ccc(Br)cc1	ZINC000098045380	554131233	/nfs/dbraw/zinc/13/12/33/554131233.db2.gz	BFQWJVIEEVHIMC-FQEVSTJZSA-N	0	1	531.175	6.134	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000098045525	554132189	/nfs/dbraw/zinc/13/21/89/554132189.db2.gz	CPFRJNPYFNWWPH-WKRVVKTRSA-N	0	1	550.596	8.325	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccccc2F)cc1	ZINC000098046470	554139498	/nfs/dbraw/zinc/13/94/98/554139498.db2.gz	MILBGRCOJNHZMF-RUZDIDTESA-N	0	1	593.677	7.070	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000098046495	554139989	/nfs/dbraw/zinc/13/99/89/554139989.db2.gz	KOLUCLXLEYYJQL-NDEPHWFRSA-N	0	1	625.703	7.553	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OC	ZINC000098046535	554140356	/nfs/dbraw/zinc/14/03/56/554140356.db2.gz	MHVXCWTYQBADDU-GDLZYMKVSA-N	0	1	676.216	8.591	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OC	ZINC000098046578	554141140	/nfs/dbraw/zinc/14/11/40/554141140.db2.gz	ZRZCCCZISWHQBN-OLILMLBXSA-N	0	1	542.632	5.761	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000098046665	554142039	/nfs/dbraw/zinc/14/20/39/554142039.db2.gz	GYPCVEUZHSBXPE-JOCHJYFZSA-N	0	1	565.604	5.498	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000098046680	554142368	/nfs/dbraw/zinc/14/23/68/554142368.db2.gz	GFVGAYVZBXPFDZ-SANMLTNESA-N	0	1	556.615	6.464	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(OCc4ccccc4)cc3)cc2)c1	ZINC000098046706	554142703	/nfs/dbraw/zinc/14/27/03/554142703.db2.gz	MTFSPIAPDIOPOB-DHUJRADRSA-N	0	1	596.683	7.327	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccnc2)cc1	ZINC000098046842	554144056	/nfs/dbraw/zinc/14/40/56/554144056.db2.gz	JNJGKKUAOLJZJA-OAQYLSRUSA-N	0	1	535.050	5.970	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc(OC)c1OC	ZINC000098046852	554144399	/nfs/dbraw/zinc/14/43/99/554144399.db2.gz	WMXVZEMKHIKAIU-OAQYLSRUSA-N	0	1	599.687	5.840	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000098046850	554144417	/nfs/dbraw/zinc/14/44/17/554144417.db2.gz	OLPWMGBUFYDSNA-JOCHJYFZSA-N	0	1	568.051	6.414	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc(OC)c1OC	ZINC000098046853	554144451	/nfs/dbraw/zinc/14/44/51/554144451.db2.gz	WMXVZEMKHIKAIU-NRFANRHFSA-N	0	1	599.687	5.840	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000098047034	554146018	/nfs/dbraw/zinc/14/60/18/554146018.db2.gz	VMBVRDBVTLOJPT-SSEXGKCCSA-N	0	1	556.659	5.487	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000098047046	554146126	/nfs/dbraw/zinc/14/61/26/554146126.db2.gz	KDSYNJDXIAOOQO-WJOKGBTCSA-N	0	1	568.670	5.653	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O	ZINC000098047266	554148283	/nfs/dbraw/zinc/14/82/83/554148283.db2.gz	XMFGJGIGZDTHCX-NDEPHWFRSA-N	0	1	643.718	7.019	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1F	ZINC000098047267	554148454	/nfs/dbraw/zinc/14/84/54/554148454.db2.gz	PWSNIRYZAGVXPO-JGCGQSQUSA-N	0	1	699.826	8.348	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccnc2)cc1	ZINC000098047337	554149569	/nfs/dbraw/zinc/14/95/69/554149569.db2.gz	DZRXDZCNOZGFGQ-DEOSSOPVSA-N	0	1	576.675	6.326	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000098047356	554149621	/nfs/dbraw/zinc/14/96/21/554149621.db2.gz	PTWBRFSRVYCJLL-WJOKGBTCSA-N	0	1	684.239	9.238	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000098047341	554149702	/nfs/dbraw/zinc/14/97/02/554149702.db2.gz	SQQJPUYUWKIEGA-HKBQPEDESA-N	0	1	667.784	8.724	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000098047368	554150003	/nfs/dbraw/zinc/15/00/03/554150003.db2.gz	ZMJLSXVMALZUTQ-HHHXNRCGSA-N	0	1	601.750	7.191	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000098047366	554150030	/nfs/dbraw/zinc/15/00/30/554150030.db2.gz	XGIKIBVAYGAPHD-RUZDIDTESA-N	0	1	671.038	8.208	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccccc2)cc1	ZINC000098047377	554150051	/nfs/dbraw/zinc/15/00/51/554150051.db2.gz	KQVVRADDHXGCDY-VWLOTQADSA-N	0	1	557.697	6.792	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(OC)c2)cc1	ZINC000098047382	554150087	/nfs/dbraw/zinc/15/00/87/554150087.db2.gz	JUYURUQXLLORPE-AREMUKBSSA-N	0	1	587.723	6.801	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000098047390	554150385	/nfs/dbraw/zinc/15/03/85/554150385.db2.gz	RBSYUPAWYFAYTE-RUZDIDTESA-N	0	1	644.577	8.156	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000098047391	554150641	/nfs/dbraw/zinc/15/06/41/554150641.db2.gz	RBSYUPAWYFAYTE-VWLOTQADSA-N	0	1	644.577	8.156	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OC	ZINC000098047477	554151270	/nfs/dbraw/zinc/15/12/70/554151270.db2.gz	GSXOEHICQPRRHP-LJAQVGFWSA-N	0	1	678.232	8.019	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000098047452	554151284	/nfs/dbraw/zinc/15/12/84/554151284.db2.gz	RVMPYFFFSIADBS-SSEXGKCCSA-N	0	1	678.276	9.015	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000098047471	554151510	/nfs/dbraw/zinc/15/15/10/554151510.db2.gz	UKKFSEMTVDOQRE-YTTGMZPUSA-N	0	1	663.821	8.371	50	30		KKEAMN
CCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OC	ZINC000098047511	554152130	/nfs/dbraw/zinc/15/21/30/554152130.db2.gz	ZPNFMSSIUYOSHU-JGCGQSQUSA-N	0	1	722.329	9.413	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC	ZINC000098047522	554152262	/nfs/dbraw/zinc/15/22/62/554152262.db2.gz	YDSPLYPBZBJGJR-MUUNZHRXSA-N	0	1	636.767	7.168	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000098047655	554153907	/nfs/dbraw/zinc/15/39/07/554153907.db2.gz	JDPCANOYHHVEKA-MUUNZHRXSA-N	0	1	631.776	7.200	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000098047658	554153913	/nfs/dbraw/zinc/15/39/13/554153913.db2.gz	WVGLVAZVINLUGC-SANMLTNESA-N	0	1	615.733	6.579	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000098047632	554153934	/nfs/dbraw/zinc/15/39/34/554153934.db2.gz	VMUWOROQKPFMRS-VWLOTQADSA-N	0	1	620.684	6.840	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccccc2F)cc1	ZINC000098047644	554153989	/nfs/dbraw/zinc/15/39/89/554153989.db2.gz	XKDCLKAXDITKTK-VWLOTQADSA-N	0	1	610.132	7.585	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1Cl	ZINC000098047696	554154399	/nfs/dbraw/zinc/15/43/99/554154399.db2.gz	HRVBIXNPFPELPY-MHZLTWQESA-N	0	1	535.040	5.458	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1Cl	ZINC000098047696	554154401	/nfs/dbraw/zinc/15/44/01/554154401.db2.gz	HRVBIXNPFPELPY-MHZLTWQESA-N	0	1	535.040	5.458	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000098047684	554154571	/nfs/dbraw/zinc/15/45/71/554154571.db2.gz	YEBLCYVNCHHCSE-HKBQPEDESA-N	0	1	708.302	8.879	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccccc2)cc1F	ZINC000098047702	554154847	/nfs/dbraw/zinc/15/48/47/554154847.db2.gz	MHEVBXWMPSTCPD-SANMLTNESA-N	0	1	583.666	6.914	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000098047726	554155046	/nfs/dbraw/zinc/15/50/46/554155046.db2.gz	PMFARINWCWNTSP-MHZLTWQESA-N	0	1	613.692	6.923	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047734	554155300	/nfs/dbraw/zinc/15/53/00/554155300.db2.gz	UZQUCIKCKFETDO-LJAQVGFWSA-N	0	1	641.746	7.703	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000098047732	554155306	/nfs/dbraw/zinc/15/53/06/554155306.db2.gz	HAJCPLARIOWHGV-YTTGMZPUSA-N	0	1	675.763	8.707	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(O)c2)cc1F	ZINC000098047738	554155490	/nfs/dbraw/zinc/15/54/90/554155490.db2.gz	QLNVTEKSUACMQH-SANMLTNESA-N	0	1	599.665	6.620	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccccc2)cc1OC	ZINC000098047773	554155773	/nfs/dbraw/zinc/15/57/73/554155773.db2.gz	RKJIWXGARLUGHG-HHHXNRCGSA-N	0	1	595.702	6.784	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O	ZINC000098047787	554155846	/nfs/dbraw/zinc/15/58/46/554155846.db2.gz	BOEPDRYJXGLFSC-GDLZYMKVSA-N	0	1	655.754	6.888	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047816	554156220	/nfs/dbraw/zinc/15/62/20/554156220.db2.gz	LLHSQHMOKDLPIC-PMERELPUSA-N	0	1	653.782	7.573	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O	ZINC000098047788	554156263	/nfs/dbraw/zinc/15/62/63/554156263.db2.gz	BOEPDRYJXGLFSC-LJAQVGFWSA-N	0	1	655.754	6.888	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047812	554156302	/nfs/dbraw/zinc/15/63/02/554156302.db2.gz	BEHDQVVIWQFKQH-YTTGMZPUSA-N	0	1	681.836	8.353	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4Cl)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000098047833	554156595	/nfs/dbraw/zinc/15/65/95/554156595.db2.gz	BGWSNXTXSKBUSJ-MUUNZHRXSA-N	0	1	678.594	9.160	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(F)cc2)cc1F	ZINC000098047848	554157059	/nfs/dbraw/zinc/15/70/59/554157059.db2.gz	YUKGOENNJKUOSY-SANMLTNESA-N	0	1	585.657	7.353	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccs2)cc1OC	ZINC000098047855	554157115	/nfs/dbraw/zinc/15/71/15/554157115.db2.gz	ZUPDUKMJXVVJIK-RUZDIDTESA-N	0	1	601.731	6.845	50	30		KKEAMN
O=C(Nc1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000100052640	554194915	/nfs/dbraw/zinc/19/49/15/554194915.db2.gz	OYAWYPSJENPRNG-SONOPUAISA-N	0	1	544.438	8.193	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@@H]3c2cccnc2)cc1	ZINC000100112287	554222228	/nfs/dbraw/zinc/22/22/28/554222228.db2.gz	HPORFGFFQCQFIT-SVAFIVKMSA-N	0	1	553.706	7.993	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@H]3c2cccnc2)cc1	ZINC000100112275	554222238	/nfs/dbraw/zinc/22/22/38/554222238.db2.gz	HPORFGFFQCQFIT-YQZLGSGWSA-N	0	1	553.706	7.993	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@H]3c2cccnc2)cc1	ZINC000100112281	554222281	/nfs/dbraw/zinc/22/22/81/554222281.db2.gz	HPORFGFFQCQFIT-WRCWMGRMSA-N	0	1	553.706	7.993	50	30		KKEAMN
COc1ccc(/N=C2/S/C(=C\c3cc(Br)cc(Br)c3O)C(=O)N2CC(C)C)cc1	ZINC000100260225	554265292	/nfs/dbraw/zinc/26/52/92/554265292.db2.gz	DLDGIEATOCBYMR-YKHCWLLVSA-N	0	1	540.277	6.186	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000053291238	554331587	/nfs/dbraw/zinc/33/15/87/554331587.db2.gz	YGAJDMZKOBQSQV-NRFANRHFSA-N	0	1	520.588	5.326	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000053291630	554331827	/nfs/dbraw/zinc/33/18/27/554331827.db2.gz	OZLYJYQEWULCCQ-OAQYLSRUSA-N	0	1	522.941	5.658	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1	ZINC000053291941	554332002	/nfs/dbraw/zinc/33/20/02/554332002.db2.gz	UXHQWFYGRDMQAL-QFIPXVFZSA-N	0	1	519.966	6.258	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000053291523	554332062	/nfs/dbraw/zinc/33/20/62/554332062.db2.gz	JAVADCPRQIVSAK-JOCHJYFZSA-N	0	1	552.630	5.565	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1	ZINC000053292173	554332453	/nfs/dbraw/zinc/33/24/53/554332453.db2.gz	DBLVHZDETBYRKD-FQEVSTJZSA-N	0	1	531.175	6.134	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000053305759	554332783	/nfs/dbraw/zinc/33/27/83/554332783.db2.gz	SYEDVJYNDJMTSC-MUUNZHRXSA-N	0	1	559.449	7.054	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000053306738	554334180	/nfs/dbraw/zinc/33/41/80/554334180.db2.gz	PVDVYESUWYMKMP-HXUWFJFHSA-N	0	1	571.449	5.491	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000053306667	554334193	/nfs/dbraw/zinc/33/41/93/554334193.db2.gz	WZEAMWYWJGYBCA-NRFANRHFSA-N	0	1	583.460	5.657	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000053306914	554334644	/nfs/dbraw/zinc/33/46/44/554334644.db2.gz	DICJVILJXIRMTE-QFIPXVFZSA-N	0	1	535.419	6.240	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000053307001	554334852	/nfs/dbraw/zinc/33/48/52/554334852.db2.gz	OGHXRBKLOUSPDW-MQNRADLISA-N	0	1	557.584	5.710	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000053307347	554335141	/nfs/dbraw/zinc/33/51/41/554335141.db2.gz	MUYPMJYNIYKQHK-QFIPXVFZSA-N	0	1	569.864	6.894	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000053319438	554337858	/nfs/dbraw/zinc/33/78/58/554337858.db2.gz	YLURVBPDUSIJMS-XDCSYDRFSA-N	0	1	565.714	8.373	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	ZINC000053319495	554338266	/nfs/dbraw/zinc/33/82/66/554338266.db2.gz	DRYJSNDYYCJCJD-IBGZPJMESA-N	0	1	514.719	5.189	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C	ZINC000053319482	554338301	/nfs/dbraw/zinc/33/83/01/554338301.db2.gz	UNGHTZTZEGODCR-NRFANRHFSA-N	0	1	551.577	5.025	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccccc3Cl)C2)cc1	ZINC000053319488	554338336	/nfs/dbraw/zinc/33/83/36/554338336.db2.gz	VPWWYTRFJBZEGV-HMILPKGGSA-N	0	1	553.024	8.100	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1	ZINC000053319523	554338668	/nfs/dbraw/zinc/33/86/68/554338668.db2.gz	XWMHSTMHZLKCHB-YHZWMNSLSA-N	0	1	593.123	8.238	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000053332359	554339083	/nfs/dbraw/zinc/33/90/83/554339083.db2.gz	HWJRXJRFVWQPMP-OZAJXLCCSA-N	0	1	567.450	6.718	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2	ZINC000053333624	554339694	/nfs/dbraw/zinc/33/96/94/554339694.db2.gz	SDOZOKKFGUHRRZ-JOCHJYFZSA-N	0	1	539.396	6.157	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000053335738	554340950	/nfs/dbraw/zinc/34/09/50/554340950.db2.gz	GHNZOHDWWXPRBM-DEOSSOPVSA-N	0	1	549.004	5.903	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000053336027	554341386	/nfs/dbraw/zinc/34/13/86/554341386.db2.gz	BTXOEIXWXPHJRF-RUZDIDTESA-N	0	1	561.015	6.069	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	ZINC000053336184	554341465	/nfs/dbraw/zinc/34/14/65/554341465.db2.gz	OIJIMBBIMRPKMP-MUUNZHRXSA-N	0	1	559.449	7.054	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000053337880	554342529	/nfs/dbraw/zinc/34/25/29/554342529.db2.gz	HFVOJCAJLVCJFD-QHCPKHFHSA-N	0	1	534.977	5.512	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@H]1c1cccc(Br)c1	ZINC000053337716	554342555	/nfs/dbraw/zinc/34/25/55/554342555.db2.gz	TWUNGQXFURUYFL-NRUKRWIHSA-N	0	1	557.532	8.238	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000053340670	554344190	/nfs/dbraw/zinc/34/41/90/554344190.db2.gz	DNMISWFTXQNGDM-NRFANRHFSA-N	0	1	532.312	6.259	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccc(C)cc3)cc2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	ZINC000100674622	554442918	/nfs/dbraw/zinc/44/29/18/554442918.db2.gz	PLSCTKJFHNSZEB-UMSFTDKQSA-N	0	1	607.703	6.776	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccccc2F)cc1	ZINC000100674861	554443337	/nfs/dbraw/zinc/44/33/37/554443337.db2.gz	MOIUDXVUGIWLIV-XMMPIXPASA-N	0	1	566.651	6.365	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000100677184	554444253	/nfs/dbraw/zinc/44/42/53/554444253.db2.gz	LOODHLIENQRIPE-QHCPKHFHSA-N	0	1	566.607	5.432	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCCC)c(OC)c2)cc1	ZINC000100677764	554444885	/nfs/dbraw/zinc/44/48/85/554444885.db2.gz	IGEXOAORPFQNFF-AREMUKBSSA-N	0	1	608.713	6.387	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000100679388	554445396	/nfs/dbraw/zinc/44/53/96/554445396.db2.gz	RECMOFRKXWMAEW-QFIPXVFZSA-N	0	1	589.497	6.897	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000100679594	554445688	/nfs/dbraw/zinc/44/56/88/554445688.db2.gz	JXDUTKNCZVBARK-JOCHJYFZSA-N	0	1	538.597	5.729	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCC)c(OCC)c2)cc1	ZINC000100679971	554446030	/nfs/dbraw/zinc/44/60/30/554446030.db2.gz	DHNKAEZRYGWPMW-HHHXNRCGSA-N	0	1	622.740	6.778	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(O)c(OCC)c2)cc1	ZINC000100680236	554446091	/nfs/dbraw/zinc/44/60/91/554446091.db2.gz	IWCRUUJZHDGFFB-XMMPIXPASA-N	0	1	580.659	5.694	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000100680827	554446755	/nfs/dbraw/zinc/44/67/55/554446755.db2.gz	LHAVDILIRFJDLH-PMERELPUSA-N	0	1	554.643	5.263	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(F)c2)cc1	ZINC000100681019	554447167	/nfs/dbraw/zinc/44/71/67/554447167.db2.gz	ZHEXPEKUAAPQKE-QFIPXVFZSA-N	0	1	538.597	5.729	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000100681205	554447544	/nfs/dbraw/zinc/44/75/44/554447544.db2.gz	UXBLYKJFFKLMDY-SVEHJYQDSA-N	0	1	551.680	6.056	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000100681209	554447607	/nfs/dbraw/zinc/44/76/07/554447607.db2.gz	UXBLYKJFFKLMDY-VAVYLYDRSA-N	0	1	551.680	6.056	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000100681475	554447801	/nfs/dbraw/zinc/44/78/01/554447801.db2.gz	AERUDPREFPIWPD-QFIPXVFZSA-N	0	1	582.606	5.051	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000100681478	554447813	/nfs/dbraw/zinc/44/78/13/554447813.db2.gz	AERUDPREFPIWPD-JOCHJYFZSA-N	0	1	582.606	5.051	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000100681444	554447913	/nfs/dbraw/zinc/44/79/13/554447913.db2.gz	YBGOHABOYLVKKK-HXUWFJFHSA-N	0	1	526.973	5.678	50	30		KKEAMN
CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)Nc1cc(Cl)c(C)c(Cl)c1O	ZINC000100725396	554456601	/nfs/dbraw/zinc/45/66/01/554456601.db2.gz	QMSVXVFMDRULEE-UHFFFAOYSA-N	0	1	564.638	10.900	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)c(C)c1	ZINC000100736778	554461158	/nfs/dbraw/zinc/46/11/58/554461158.db2.gz	UHDUAXGXKMJFAF-OAQYLSRUSA-N	0	1	541.025	5.772	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000100736830	554461191	/nfs/dbraw/zinc/46/11/91/554461191.db2.gz	MKHAWVDDJLUVMG-VWLOTQADSA-N	0	1	576.671	6.073	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1	ZINC000101072996	554576463	/nfs/dbraw/zinc/57/64/63/554576463.db2.gz	POPVDSNWBDQUMG-QOJBNDRUSA-N	0	1	509.381	5.895	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1	ZINC000101072997	554576505	/nfs/dbraw/zinc/57/65/05/554576505.db2.gz	POPVDSNWBDQUMG-ASBZNUFUSA-N	0	1	509.381	5.895	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Br)c2)o1	ZINC000101100221	554587112	/nfs/dbraw/zinc/58/71/12/554587112.db2.gz	KOQUJGWYWCBRPM-PGVNHDJNSA-N	0	1	523.408	6.203	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Br)c2)o1	ZINC000101100223	554587156	/nfs/dbraw/zinc/58/71/56/554587156.db2.gz	KOQUJGWYWCBRPM-OBVHCKHUSA-N	0	1	523.408	6.203	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C	ZINC000101276841	554703553	/nfs/dbraw/zinc/70/35/53/554703553.db2.gz	GTFCYJNRTMNFAS-DFXXOVSGSA-N	0	1	624.671	5.771	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000101277579	554703984	/nfs/dbraw/zinc/70/39/84/554703984.db2.gz	IFUVJNRFWVDOEH-JBCNATCCSA-N	0	1	583.460	5.500	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OCC)cc2)nc1C	ZINC000101278096	554704541	/nfs/dbraw/zinc/70/45/41/554704541.db2.gz	BGFFMNSOLRWJSP-MIOXIQPJSA-N	0	1	624.715	6.707	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Br)c2)nc1C	ZINC000101278203	554704882	/nfs/dbraw/zinc/70/48/82/554704882.db2.gz	HFJKDMCTYSDKKG-MRJHHRETSA-N	0	1	583.460	5.500	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000101297459	554712460	/nfs/dbraw/zinc/71/24/60/554712460.db2.gz	MJCYBSMFQWUOLZ-MIOXIQPJSA-N	0	1	526.633	5.122	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000101310221	554717042	/nfs/dbraw/zinc/71/70/42/554717042.db2.gz	YRAXBYHMDIMMDU-ROBPHKHBSA-N	0	1	515.562	5.188	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000101310216	554717117	/nfs/dbraw/zinc/71/71/17/554717117.db2.gz	YRAXBYHMDIMMDU-NSOCNUKWSA-N	0	1	515.562	5.188	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000101310224	554717234	/nfs/dbraw/zinc/71/72/34/554717234.db2.gz	YRAXBYHMDIMMDU-FZIYRNTBSA-N	0	1	515.562	5.188	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000101316812	554723880	/nfs/dbraw/zinc/72/38/80/554723880.db2.gz	MAIZFVSGDGCONO-LODGOHBISA-N	0	1	611.745	6.653	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000101316809	554723920	/nfs/dbraw/zinc/72/39/20/554723920.db2.gz	MAIZFVSGDGCONO-FGEDTZIGSA-N	0	1	611.745	6.653	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000102076450	554874552	/nfs/dbraw/zinc/87/45/52/554874552.db2.gz	HTCUYWYBNIZESF-TVKWNQJWSA-N	0	1	525.645	6.099	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000102076740	554875108	/nfs/dbraw/zinc/87/51/08/554875108.db2.gz	SWKARDYIBSDPNU-YFVVEFNMSA-N	0	1	512.606	5.452	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000102169203	554891165	/nfs/dbraw/zinc/89/11/65/554891165.db2.gz	NGPJNRCQLKBSQE-SZYGQJGOSA-N	0	1	584.713	5.966	50	30		KKEAMN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4cc(Br)cc(Br)c4O)c3c2C1	ZINC000102304483	554908883	/nfs/dbraw/zinc/90/88/83/554908883.db2.gz	AGSYYQMKPICIEZ-GOFCGAQMSA-N	0	1	552.336	6.909	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OC(C)C	ZINC000102377666	554918267	/nfs/dbraw/zinc/91/82/67/554918267.db2.gz	BGKXHIJNDOOSLW-IUKMQXEJSA-N	0	1	547.479	5.233	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000102434316	554927577	/nfs/dbraw/zinc/92/75/77/554927577.db2.gz	OYQIRVHXOMQAJJ-SBXHHDGASA-N	0	1	513.575	5.664	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000102482192	554937416	/nfs/dbraw/zinc/93/74/16/554937416.db2.gz	ASIDBJZYENHVAF-QBCYBHDASA-N	0	1	545.632	6.049	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC	ZINC000102487448	554938432	/nfs/dbraw/zinc/93/84/32/554938432.db2.gz	WQIHIJVMUBQAGI-HOGKFDNTSA-N	0	1	508.502	5.218	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000102486596	554938563	/nfs/dbraw/zinc/93/85/63/554938563.db2.gz	YORPSBYUTQNHKG-NXLSWJSLSA-N	0	1	558.587	6.186	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1	ZINC000102486506	554938575	/nfs/dbraw/zinc/93/85/75/554938575.db2.gz	ITWUPDWDSDUAQK-NPJIAGGLSA-N	0	1	527.602	5.369	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102489224	554938805	/nfs/dbraw/zinc/93/88/05/554938805.db2.gz	CRYIVJMFYWQZGP-DFXXOVSGSA-N	0	1	535.556	5.499	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102491637	554939406	/nfs/dbraw/zinc/93/94/06/554939406.db2.gz	FRDDIIDBWNCYQT-MRJHHRETSA-N	0	1	511.386	6.238	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000102492570	554939685	/nfs/dbraw/zinc/93/96/85/554939685.db2.gz	XWAUPWVIQLBOMW-MOBKVPTQSA-N	0	1	522.604	5.400	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102492794	554939702	/nfs/dbraw/zinc/93/97/02/554939702.db2.gz	BKSLHSVAYYHRQY-LFVOPCPISA-N	0	1	511.353	5.287	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC	ZINC000102497254	554941056	/nfs/dbraw/zinc/94/10/56/554941056.db2.gz	RMBJELRJJDBNNE-QMMFTLRZSA-N	0	1	580.637	5.617	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000102503490	554943974	/nfs/dbraw/zinc/94/39/74/554943974.db2.gz	FCZNKQVLHGCHPH-MOBKVPTQSA-N	0	1	553.409	6.223	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102504296	554944273	/nfs/dbraw/zinc/94/42/73/554944273.db2.gz	BHXDZZAWPFTUCS-MRJHHRETSA-N	0	1	521.392	5.694	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000102505339	554944309	/nfs/dbraw/zinc/94/43/09/554944309.db2.gz	JBVNZRYWPOVQNP-MIOXIQPJSA-N	0	1	520.585	5.600	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102504288	554944336	/nfs/dbraw/zinc/94/43/36/554944336.db2.gz	BHXDZZAWPFTUCS-JBCNATCCSA-N	0	1	521.392	5.694	50	30		KKEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1	ZINC000102508207	554945477	/nfs/dbraw/zinc/94/54/77/554945477.db2.gz	CYUWKBPFYFUADM-HOGKFDNTSA-N	0	1	508.502	5.218	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1	ZINC000102508756	554945729	/nfs/dbraw/zinc/94/57/29/554945729.db2.gz	AQEPKBAHDBFNEY-NPJIAGGLSA-N	0	1	500.507	5.098	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1	ZINC000102510437	554946005	/nfs/dbraw/zinc/94/60/05/554946005.db2.gz	RXDZYEUNFQQHQW-ZHHPLPSFSA-N	0	1	534.565	5.478	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000102510034	554946092	/nfs/dbraw/zinc/94/60/92/554946092.db2.gz	HLHRHTWMUFNPNX-ZHHPLPSFSA-N	0	1	504.539	5.469	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	ZINC000102516817	554948216	/nfs/dbraw/zinc/94/82/16/554948216.db2.gz	XACQNWLBRJEQQC-TXTDGAROSA-N	0	1	535.556	5.499	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1	ZINC000102520993	554949623	/nfs/dbraw/zinc/94/96/23/554949623.db2.gz	MSOGVVWTWPJWCB-VEZPTTSMSA-N	0	1	538.172	9.243	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102520657	554949683	/nfs/dbraw/zinc/94/96/83/554949683.db2.gz	KMZXHCQTRVZDBW-MOBKVPTQSA-N	0	1	502.523	5.157	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(Cl)cc1	ZINC000102529701	554953421	/nfs/dbraw/zinc/95/34/21/554953421.db2.gz	PJZJUPGCXBSPGT-QMMFTLRZSA-N	0	1	617.068	10.006	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000102531310	554953881	/nfs/dbraw/zinc/95/38/81/554953881.db2.gz	FHFRTJQHEAAGKL-KFLIVHAJSA-N	0	1	642.675	9.369	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000102533144	554954715	/nfs/dbraw/zinc/95/47/15/554954715.db2.gz	NNWPCUQWMMHAPY-SBXHHDGASA-N	0	1	581.046	6.001	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102538156	554956279	/nfs/dbraw/zinc/95/62/79/554956279.db2.gz	GNMUWXMXPVVHRQ-ZHHPLPSFSA-N	0	1	565.445	6.092	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000102543462	554958082	/nfs/dbraw/zinc/95/80/82/554958082.db2.gz	HFQSXWBNDKCOLU-AYWGPLOBSA-N	0	1	520.538	5.088	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102556257	554964780	/nfs/dbraw/zinc/96/47/80/554964780.db2.gz	KCGQOJOZVAIBLA-AIKCTZLLSA-N	0	1	610.544	7.087	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2	ZINC000102558735	554966276	/nfs/dbraw/zinc/96/62/76/554966276.db2.gz	WIODTRBANIFEEU-MOBKVPTQSA-N	0	1	549.948	5.255	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2	ZINC000102558726	554966343	/nfs/dbraw/zinc/96/63/43/554966343.db2.gz	WIODTRBANIFEEU-HOGKFDNTSA-N	0	1	549.948	5.255	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C	ZINC000102559728	554967148	/nfs/dbraw/zinc/96/71/48/554967148.db2.gz	NGMVHKOWQNYCSI-CJJGVWJISA-N	0	1	613.648	6.050	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)ccc1OCCC(C)C	ZINC000102564743	554969712	/nfs/dbraw/zinc/96/97/12/554969712.db2.gz	BZSFQZUWEQNIGH-YREDKMEYSA-N	0	1	537.653	5.292	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000102581512	554972546	/nfs/dbraw/zinc/97/25/46/554972546.db2.gz	KZFVDRUJXYUOAJ-FECHNCLXSA-N	0	1	531.521	5.293	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000102583957	554972820	/nfs/dbraw/zinc/97/28/20/554972820.db2.gz	OMZYFVUHTFQBJA-ZHHPLPSFSA-N	0	1	596.061	6.020	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000102591980	554974176	/nfs/dbraw/zinc/97/41/76/554974176.db2.gz	CSKNSVKEPCQGTQ-AYWGPLOBSA-N	0	1	578.071	5.881	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000102591469	554974191	/nfs/dbraw/zinc/97/41/91/554974191.db2.gz	LREPNWJIZRERQB-NPJIAGGLSA-N	0	1	622.124	6.280	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC	ZINC000102596678	554976995	/nfs/dbraw/zinc/97/69/95/554976995.db2.gz	GUXQUNIZHZYFBE-CZNAVJSXSA-N	0	1	592.670	5.629	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000102596388	554977086	/nfs/dbraw/zinc/97/70/86/554977086.db2.gz	YMBNXRGZZOZVNI-NXLSWJSLSA-N	0	1	608.097	5.890	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000102597751	554977164	/nfs/dbraw/zinc/97/71/64/554977164.db2.gz	RWDZHHAUIVRIPK-SBXHHDGASA-N	0	1	619.652	5.154	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102597106	554977186	/nfs/dbraw/zinc/97/71/86/554977186.db2.gz	KLZICPNUCOCDTQ-NPJIAGGLSA-N	0	1	587.679	5.627	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccc(OCc2ccccc2)c1	ZINC000102599161	554977472	/nfs/dbraw/zinc/97/74/72/554977472.db2.gz	OWQCBAXSNNEIFG-WGGXKBPPSA-N	0	1	534.568	5.054	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000102599281	554977519	/nfs/dbraw/zinc/97/75/19/554977519.db2.gz	WIIYLGYALSDKOO-ZHHPLPSFSA-N	0	1	596.061	6.020	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000102603668	554978138	/nfs/dbraw/zinc/97/81/38/554978138.db2.gz	FWIIATRYOFKMDJ-IUKMQXEJSA-N	0	1	615.689	5.323	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)s2)cc1	ZINC000102605900	554978719	/nfs/dbraw/zinc/97/87/19/554978719.db2.gz	RYQRRBDWWULGDM-SBXHHDGASA-N	0	1	592.098	6.190	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C	ZINC000102606118	554978852	/nfs/dbraw/zinc/97/88/52/554978852.db2.gz	VQCABXWELQQNRA-PUAOIOHZSA-N	0	1	549.649	5.386	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000102608808	554980453	/nfs/dbraw/zinc/98/04/53/554980453.db2.gz	QXAIZQWVOSSERS-AIKCTZLLSA-N	0	1	594.089	6.573	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	ZINC000102614560	554984042	/nfs/dbraw/zinc/98/40/42/554984042.db2.gz	AZKVQXXTGDGOGP-YDJIHCHBSA-N	0	1	502.832	5.893	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1	ZINC000102614862	554984236	/nfs/dbraw/zinc/98/42/36/554984236.db2.gz	BEAOMPVNQLYSQI-NPJIAGGLSA-N	0	1	555.612	5.147	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C	ZINC000102619189	554985769	/nfs/dbraw/zinc/98/57/69/554985769.db2.gz	DWEBXNJBKJALQA-UUALVTFQSA-N	0	1	606.697	5.875	50	30		KKEAMN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000102620984	554986779	/nfs/dbraw/zinc/98/67/79/554986779.db2.gz	BWSBEXMACLPHON-CJJGVWJISA-N	0	1	620.152	7.005	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(O)c3)ccc2O1	ZINC000102620591	554986835	/nfs/dbraw/zinc/98/68/35/554986835.db2.gz	MPHNXZIRBAMDLZ-WRPQUVRJSA-N	0	1	575.643	5.625	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(O)c3)ccc2O1	ZINC000102620600	554986865	/nfs/dbraw/zinc/98/68/65/554986865.db2.gz	MPHNXZIRBAMDLZ-AIKCTZLLSA-N	0	1	575.643	5.625	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1	ZINC000102621118	554987050	/nfs/dbraw/zinc/98/70/50/554987050.db2.gz	NXHJGILJCXUXGQ-SZYGQJGOSA-N	0	1	531.781	9.206	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(OCCC)cc2)nc1C	ZINC000102622259	554987379	/nfs/dbraw/zinc/98/73/79/554987379.db2.gz	NRJWIBPSIUFSKM-VWLOTQADSA-N	0	1	576.671	6.073	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccc(OCCC)cc2)nc1C	ZINC000102622257	554987390	/nfs/dbraw/zinc/98/73/90/554987390.db2.gz	NRJWIBPSIUFSKM-RUZDIDTESA-N	0	1	576.671	6.073	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1	ZINC000102623336	554987734	/nfs/dbraw/zinc/98/77/34/554987734.db2.gz	AEYJXOUBPIMJEN-IUKMQXEJSA-N	0	1	562.644	5.621	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000102624487	554987952	/nfs/dbraw/zinc/98/79/52/554987952.db2.gz	OYUVONCGJOAIRR-CJJGVWJISA-N	0	1	619.696	6.156	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000102642491	554990986	/nfs/dbraw/zinc/99/09/86/554990986.db2.gz	LURQGGUXUZDHOQ-PLQDCEFPSA-N	0	1	545.635	6.253	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC	ZINC000102650741	554995637	/nfs/dbraw/zinc/99/56/37/554995637.db2.gz	DKDFIBVSLPAKMF-TXTDGAROSA-N	0	1	628.703	6.159	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000102650328	554995669	/nfs/dbraw/zinc/99/56/69/554995669.db2.gz	QWLSKZDKAPHNSN-UGQRDJPYSA-N	0	1	575.661	6.262	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000102654029	554997491	/nfs/dbraw/zinc/99/74/91/554997491.db2.gz	BXBOPXKYVOKMOI-YELMDPSYSA-N	0	1	525.645	6.243	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000102667637	555001932	/nfs/dbraw/zinc/00/19/32/555001932.db2.gz	DKXXGKSFOXWGCC-WOOAAIBNSA-N	0	1	514.719	5.032	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102677758	555004364	/nfs/dbraw/zinc/00/43/64/555004364.db2.gz	NLEDXEDYSGBOAT-WGQAXHKASA-N	0	1	543.557	5.163	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000102678544	555004837	/nfs/dbraw/zinc/00/48/37/555004837.db2.gz	VJLBQZQUJWCPMJ-HDTBSZCESA-N	0	1	508.983	5.257	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000102695310	555010832	/nfs/dbraw/zinc/01/08/32/555010832.db2.gz	ACZHMTFISZNXNG-SBXHHDGASA-N	0	1	542.573	5.268	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC	ZINC000102706336	555014849	/nfs/dbraw/zinc/01/48/49/555014849.db2.gz	WWNUFPQPKPOTPJ-ZHHPLPSFSA-N	0	1	504.564	5.485	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1C	ZINC000102715841	555018519	/nfs/dbraw/zinc/01/85/19/555018519.db2.gz	SLFIHCVMNHBONO-DFXXOVSGSA-N	0	1	530.621	5.598	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(Cl)c1	ZINC000102729876	555023278	/nfs/dbraw/zinc/02/32/78/555023278.db2.gz	AILIRENZOJUVFP-CJJGVWJISA-N	0	1	505.998	5.686	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccco2)ccc1O	ZINC000102733883	555024616	/nfs/dbraw/zinc/02/46/16/555024616.db2.gz	NREMKBLRZNBAMY-TXTDGAROSA-N	0	1	525.557	5.503	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000102735212	555024934	/nfs/dbraw/zinc/02/49/34/555024934.db2.gz	RSPJHUBADATCRH-ZAOVDLIJSA-N	0	1	545.635	6.253	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000102735223	555024961	/nfs/dbraw/zinc/02/49/61/555024961.db2.gz	SMVONXWOVPVOLR-FFMCZVIESA-N	0	1	531.608	6.211	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102734701	555025009	/nfs/dbraw/zinc/02/50/09/555025009.db2.gz	IPJMHXLPKUYXJD-AYWGPLOBSA-N	0	1	531.546	5.156	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000102735314	555025273	/nfs/dbraw/zinc/02/52/73/555025273.db2.gz	ZTBMMTANUTWTSS-VXJPNWOUSA-N	0	1	521.569	5.804	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000102735612	555025832	/nfs/dbraw/zinc/02/58/32/555025832.db2.gz	AQEXSDXEEVLINK-YMCWBSDSSA-N	0	1	504.514	5.524	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102737011	555026368	/nfs/dbraw/zinc/02/63/68/555026368.db2.gz	HZBMRQDECDMLNG-CGKJMNDRSA-N	0	1	557.584	5.553	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000102770785	555058210	/nfs/dbraw/zinc/05/82/10/555058210.db2.gz	VWGJZVDOQGCMJA-QNIVJUIWSA-N	0	1	508.401	5.981	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102770798	555058214	/nfs/dbraw/zinc/05/82/14/555058214.db2.gz	POKKWNQXRAOCJH-FSISNWKMSA-N	0	1	551.451	6.861	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1	ZINC000102771062	555059321	/nfs/dbraw/zinc/05/93/21/555059321.db2.gz	KMCXZOAGTOMQQS-XLNMUAQOSA-N	0	1	537.424	6.553	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102771306	555060008	/nfs/dbraw/zinc/06/00/08/555060008.db2.gz	GGOZJWHURATZQL-AIKCTZLLSA-N	0	1	610.544	7.087	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1ccc(C#N)cc1	ZINC000102857696	555088852	/nfs/dbraw/zinc/08/88/52/555088852.db2.gz	HAVLFYOPVNKRDV-GPNASLBKSA-N	0	1	507.609	7.828	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000102859117	555089719	/nfs/dbraw/zinc/08/97/19/555089719.db2.gz	OUCYFDNNKRJVFA-FGEDTZIGSA-N	0	1	512.606	5.596	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Br)c2)nc1C	ZINC000102862122	555091989	/nfs/dbraw/zinc/09/19/89/555091989.db2.gz	YNXNAERUWKKEIF-GHNGSUTGSA-N	0	1	545.386	5.156	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4C)cc3)[C@H]2c2ccc(F)cc2)s1	ZINC000102862222	555092321	/nfs/dbraw/zinc/09/23/21/555092321.db2.gz	VDQABNRLQFWCAL-SBXHHDGASA-N	0	1	515.566	5.499	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC	ZINC000102863545	555093528	/nfs/dbraw/zinc/09/35/28/555093528.db2.gz	XUQKJTUUZXMKGI-SBXHHDGASA-N	0	1	510.974	5.840	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000102865403	555094944	/nfs/dbraw/zinc/09/49/44/555094944.db2.gz	AYQCGZJEZLEEAM-MOBKVPTQSA-N	0	1	522.604	5.400	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000102865616	555095264	/nfs/dbraw/zinc/09/52/64/555095264.db2.gz	FRQRCHIANCRGNC-VEZPTTSMSA-N	0	1	550.611	5.695	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1	ZINC000102866471	555095775	/nfs/dbraw/zinc/09/57/75/555095775.db2.gz	IRFXXINMGHTIPN-AUNXFTLJSA-N	0	1	618.730	6.510	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC	ZINC000102868452	555097942	/nfs/dbraw/zinc/09/79/42/555097942.db2.gz	FGHHOLOFXRGPMS-CJJGVWJISA-N	0	1	520.582	5.586	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102868650	555097947	/nfs/dbraw/zinc/09/79/47/555097947.db2.gz	NWJIVEYCBFEERE-RWMNMRIUSA-N	0	1	541.644	5.862	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC	ZINC000102869527	555099173	/nfs/dbraw/zinc/09/91/73/555099173.db2.gz	MGQLZCVKHRLHEQ-TXTDGAROSA-N	0	1	602.665	5.890	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(F)cc3)cc2)c1	ZINC000102871345	555101909	/nfs/dbraw/zinc/10/19/09/555101909.db2.gz	AUJMPQWYICKDBR-SBXHHDGASA-N	0	1	500.551	5.796	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000102873046	555103465	/nfs/dbraw/zinc/10/34/65/555103465.db2.gz	SSMQKPMZKUEBPU-VDBNUPDGSA-N	0	1	555.671	6.252	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000102873051	555103586	/nfs/dbraw/zinc/10/35/86/555103586.db2.gz	SSMQKPMZKUEBPU-QZDFLZESSA-N	0	1	555.671	6.252	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000102873890	555103985	/nfs/dbraw/zinc/10/39/85/555103985.db2.gz	NNMXLJJJKUDOAV-NXLSWJSLSA-N	0	1	534.565	5.478	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1	ZINC000102874941	555104824	/nfs/dbraw/zinc/10/48/24/555104824.db2.gz	HZGOBLCYRHZELX-HOGKFDNTSA-N	0	1	520.538	5.088	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C	ZINC000102874655	555104827	/nfs/dbraw/zinc/10/48/27/555104827.db2.gz	LWGOVKPVVNITFD-CJJGVWJISA-N	0	1	561.506	5.625	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000102879714	555108782	/nfs/dbraw/zinc/10/87/82/555108782.db2.gz	XBIIYTMOIATXSP-AYWGPLOBSA-N	0	1	561.015	6.310	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)cc1	ZINC000102880019	555108958	/nfs/dbraw/zinc/10/89/58/555108958.db2.gz	PNYUCUFISDPCLT-TXTDGAROSA-N	0	1	507.590	5.283	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102879907	555109026	/nfs/dbraw/zinc/10/90/26/555109026.db2.gz	BCIPCRVCFLIZSM-VXJPNWOUSA-N	0	1	527.617	5.472	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1	ZINC000102882862	555111094	/nfs/dbraw/zinc/11/10/94/555111094.db2.gz	WSYBYPDDOWEQBK-SBXHHDGASA-N	0	1	535.021	6.373	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000102884144	555112864	/nfs/dbraw/zinc/11/28/64/555112864.db2.gz	VFOLQLCHSYQTJW-YDJIHCHBSA-N	0	1	525.811	6.339	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102885279	555115490	/nfs/dbraw/zinc/11/54/90/555115490.db2.gz	FIVLAIXJIVHWCR-NXLSWJSLSA-N	0	1	549.004	5.746	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102886800	555117512	/nfs/dbraw/zinc/11/75/12/555117512.db2.gz	QCOCDOUOUUDENN-QMMFTLRZSA-N	0	1	557.643	5.700	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000102887362	555119282	/nfs/dbraw/zinc/11/92/82/555119282.db2.gz	MXSGMNPGGXBBAC-LOOKCOSASA-N	0	1	629.760	6.578	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(O)cc2)o1	ZINC000102887498	555119527	/nfs/dbraw/zinc/11/95/27/555119527.db2.gz	WXFYOHQSEAPWGK-YDJIHCHBSA-N	0	1	505.577	5.064	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102887803	555120183	/nfs/dbraw/zinc/12/01/83/555120183.db2.gz	JLYOKVIJEMEGHU-ZLYDLHQSSA-N	0	1	599.734	6.569	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000102888625	555121727	/nfs/dbraw/zinc/12/17/27/555121727.db2.gz	YBLJCKVYHLNPIU-JVJOXMINSA-N	0	1	617.724	6.708	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000102888879	555122472	/nfs/dbraw/zinc/12/24/72/555122472.db2.gz	DFIQWXFXKAMDTH-JLPDLQRYSA-N	0	1	599.734	6.487	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000102888873	555122522	/nfs/dbraw/zinc/12/25/22/555122522.db2.gz	DFIQWXFXKAMDTH-KXDYMIPJSA-N	0	1	599.734	6.487	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1	ZINC000102889094	555122977	/nfs/dbraw/zinc/12/29/77/555122977.db2.gz	JUINQCSOOCZZCJ-QMMFTLRZSA-N	0	1	582.623	9.352	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000102890153	555124981	/nfs/dbraw/zinc/12/49/81/555124981.db2.gz	LXCJCFJVPZIMSY-MIOXIQPJSA-N	0	1	519.553	5.872	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102890601	555125779	/nfs/dbraw/zinc/12/57/79/555125779.db2.gz	QAPIOLNGDNHQKY-SBXHHDGASA-N	0	1	593.455	5.855	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000102890927	555126441	/nfs/dbraw/zinc/12/64/41/555126441.db2.gz	CFUJCKNZJDWNJO-XKHRQMKWSA-N	0	1	529.637	5.288	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1	ZINC000102890902	555126545	/nfs/dbraw/zinc/12/65/45/555126545.db2.gz	XXAALVHKIUZJNO-NXLSWJSLSA-N	0	1	578.643	5.205	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000102893107	555129890	/nfs/dbraw/zinc/12/98/90/555129890.db2.gz	QPJQNKNTCAZHCV-FSDXSRJSSA-N	0	1	617.680	5.706	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102894569	555132497	/nfs/dbraw/zinc/13/24/97/555132497.db2.gz	OJGCSHQZMQWPKO-PLWHFILJSA-N	0	1	585.707	6.179	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000102895728	555134883	/nfs/dbraw/zinc/13/48/83/555134883.db2.gz	ICFCGXWZFNCMMB-NYFCFKJUSA-N	0	1	619.139	7.477	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(N(C)C)cc1	ZINC000102897261	555137564	/nfs/dbraw/zinc/13/75/64/555137564.db2.gz	ZWPKKDBONUXRLE-SZYGQJGOSA-N	0	1	581.241	9.309	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OC	ZINC000102899310	555138806	/nfs/dbraw/zinc/13/88/06/555138806.db2.gz	MFWFIHNKYWZJBQ-VTVSLZSGSA-N	0	1	559.663	5.296	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OC	ZINC000102899312	555139096	/nfs/dbraw/zinc/13/90/96/555139096.db2.gz	MFWFIHNKYWZJBQ-ZHJYXLETSA-N	0	1	559.663	5.296	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102899534	555139441	/nfs/dbraw/zinc/13/94/41/555139441.db2.gz	SLZPCADTYOCITQ-JFTLGNCFSA-N	0	1	547.032	6.298	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102899537	555139493	/nfs/dbraw/zinc/13/94/93/555139493.db2.gz	SLZPCADTYOCITQ-JRPVAJNPSA-N	0	1	547.032	6.298	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl	ZINC000102924955	555149092	/nfs/dbraw/zinc/14/90/92/555149092.db2.gz	CWJMWWFOZMOYLS-IUKMQXEJSA-N	0	1	522.045	5.745	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000102924932	555149217	/nfs/dbraw/zinc/14/92/17/555149217.db2.gz	XQNVYLGUDWTZJM-SZYGQJGOSA-N	0	1	598.224	9.260	50	30		KKEAMN
CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000102925124	555149456	/nfs/dbraw/zinc/14/94/56/555149456.db2.gz	JZWZZAWULVNKFX-AHPONGEQSA-N	0	1	554.687	5.280	50	30		KKEAMN
N#Cc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1	ZINC000102926340	555150687	/nfs/dbraw/zinc/15/06/87/555150687.db2.gz	AGQCYNXCMIBQQH-YKGWIAGDSA-N	0	1	519.601	7.623	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000102926800	555151548	/nfs/dbraw/zinc/15/15/48/555151548.db2.gz	LRTWRWXHGWMXLX-QBCYBHDASA-N	0	1	527.617	5.819	50	30		KKEAMN
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1OC	ZINC000102927925	555152846	/nfs/dbraw/zinc/15/28/46/555152846.db2.gz	CKBOGGSADPKDBE-UHFFFAOYSA-N	0	1	586.714	5.314	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000102928024	555153230	/nfs/dbraw/zinc/15/32/30/555153230.db2.gz	FSJOFDCBJXYWGG-ICQXDZJJSA-N	0	1	556.659	5.995	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1	ZINC000102928620	555154219	/nfs/dbraw/zinc/15/42/19/555154219.db2.gz	AQAHPOPMAQDSMF-AYWGPLOBSA-N	0	1	504.564	5.621	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000102929457	555155308	/nfs/dbraw/zinc/15/53/08/555155308.db2.gz	HHSNYPPHAOPFJY-MOBKVPTQSA-N	0	1	506.605	5.782	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccccc3F)sc2c1	ZINC000102929791	555155798	/nfs/dbraw/zinc/15/57/98/555155798.db2.gz	UKKORBBHMFSLRY-AYWGPLOBSA-N	0	1	504.539	5.469	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1	ZINC000102930183	555156424	/nfs/dbraw/zinc/15/64/24/555156424.db2.gz	IXGGMNSINWRXPR-DFXXOVSGSA-N	0	1	535.556	5.499	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102931675	555159262	/nfs/dbraw/zinc/15/92/62/555159262.db2.gz	LEGBTGMNUAYRPF-DFXXOVSGSA-N	0	1	535.556	5.499	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)cc1OCC	ZINC000102932507	555160003	/nfs/dbraw/zinc/16/00/03/555160003.db2.gz	PIXXAZXRDKIKOQ-KXDYMIPJSA-N	0	1	523.626	5.046	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(C)cc1	ZINC000102932881	555160267	/nfs/dbraw/zinc/16/02/67/555160267.db2.gz	BCIYVAGWADNNIQ-ZORLYMSLSA-N	0	1	596.650	9.661	50	30		KKEAMN
CCCC(=O)C1=C(Nc2ccc(NC3=C(C(=O)CCC)C(O)=C(C(=O)OC)C(C)(C)C3)cc2)CC(C)(C)[C@H](C(=O)OC)C1=O	ZINC000102942657	555170807	/nfs/dbraw/zinc/17/08/07/555170807.db2.gz	QOJVZOOCNMVEBA-NSOVKSMOSA-N	0	1	608.732	5.333	50	30		KKEAMN
CCCCCCCCS(=O)(=O)N(CCN1CCCC1)CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1	ZINC000103013354	555207771	/nfs/dbraw/zinc/20/77/71/555207771.db2.gz	RNHXRISUZLTDQE-UHFFFAOYSA-N	0	1	551.794	5.504	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2C[C@H]2CCCO2)ccc1OCc1ccccc1	ZINC000103113060	555286102	/nfs/dbraw/zinc/28/61/02/555286102.db2.gz	HQINUQOZNLTDKL-FOKKRWDCSA-N	0	1	555.627	5.355	50	30		KKEAMN
CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000044388369	562656344	/nfs/dbraw/zinc/65/63/44/562656344.db2.gz	WYIMORDZGCUBAA-AREMUKBSSA-O	0	1	538.727	6.382	50	30	in-vitro	KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000103928916	571369904	/nfs/dbraw/zinc/36/99/04/571369904.db2.gz	IXIGOZMKYFEVSS-NHFXJNLRSA-N	0	1	561.443	5.878	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000103928939	571370199	/nfs/dbraw/zinc/37/01/99/571370199.db2.gz	ZPBGISYAMUSIJQ-NHFXJNLRSA-N	0	1	571.449	5.334	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000104220353	571377123	/nfs/dbraw/zinc/37/71/23/571377123.db2.gz	WDFAAUJKXROSDT-WGGXKBPPSA-N	0	1	536.584	5.305	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(O)(c3ccc(C)cc3)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1	ZINC000137067864	571450226	/nfs/dbraw/zinc/45/02/26/571450226.db2.gz	SNZSILOAVKEFKN-HKBQPEDESA-N	0	1	547.651	6.217	50	30		KKEAMN
O=C1N/C(=N/N=C/c2cc(I)cc(I)c2O)S/C1=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000150347387	571460747	/nfs/dbraw/zinc/46/07/47/571460747.db2.gz	FCRSOEFJFZMCJB-YGTGLGIZSA-N	0	1	689.056	5.410	50	30		KKEAMN
COc1cc([C@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)C=Cc2ccccc2)cc(OC)c1OC	ZINC000150376322	571466357	/nfs/dbraw/zinc/46/63/57/571466357.db2.gz	PPJAPOVNCNPISZ-DXRZYJCQSA-N	0	1	642.796	8.624	50	30		KKEAMN
COc1cc([C@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)C=Cc2ccccc2)cc(OC)c1OC	ZINC000150376320	571466397	/nfs/dbraw/zinc/46/63/97/571466397.db2.gz	PPJAPOVNCNPISZ-KHOPZPRASA-N	0	1	642.796	8.624	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150417981	571486230	/nfs/dbraw/zinc/48/62/30/571486230.db2.gz	TXXGUTZXZZNULC-ONQGDUAMSA-N	0	1	631.732	6.025	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150417975	571486262	/nfs/dbraw/zinc/48/62/62/571486262.db2.gz	TXXGUTZXZZNULC-UUALVTFQSA-N	0	1	631.732	6.025	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150418196	571486407	/nfs/dbraw/zinc/48/64/07/571486407.db2.gz	IECSAWRQOZEICZ-FPRSLYQBSA-N	0	1	664.205	7.231	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C	ZINC000150424599	571489369	/nfs/dbraw/zinc/48/93/69/571489369.db2.gz	XJUWVZQRZBIWQF-JNYBUSFRSA-N	0	1	689.831	7.743	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C	ZINC000150424931	571489589	/nfs/dbraw/zinc/48/95/89/571489589.db2.gz	DLLDVSBPYIPKPC-CYRRUZCLSA-N	0	1	721.901	8.757	50	30		KKEAMN
CCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC	ZINC000150431428	571493734	/nfs/dbraw/zinc/49/37/34/571493734.db2.gz	WWVUDFZEXNEXHX-LJAQVGFWSA-N	0	1	650.794	7.558	50	30		KKEAMN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000150435212	571495227	/nfs/dbraw/zinc/49/52/27/571495227.db2.gz	OONYXFYLFHRRNU-CZNAVJSXSA-N	0	1	654.597	7.658	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1	ZINC000150435824	571495694	/nfs/dbraw/zinc/49/56/94/571495694.db2.gz	QESWFICZRKWJDI-AHPONGEQSA-N	0	1	655.128	7.325	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1	ZINC000150435780	571495728	/nfs/dbraw/zinc/49/57/28/571495728.db2.gz	JMKZGBZYOJWNMA-KFLIVHAJSA-N	0	1	728.248	7.859	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1	ZINC000150435792	571495845	/nfs/dbraw/zinc/49/58/45/571495845.db2.gz	APLJYLUXTBNVOF-KFLIVHAJSA-N	0	1	762.693	8.512	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150441783	571498525	/nfs/dbraw/zinc/49/85/25/571498525.db2.gz	HIQIBUARVMFXSE-NBXYUPGTSA-N	0	1	682.223	8.013	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C	ZINC000150445209	571500181	/nfs/dbraw/zinc/50/01/81/571500181.db2.gz	FFRKMZWTZWKYLW-HDTBSZCESA-N	0	1	629.485	5.055	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150445402	571500374	/nfs/dbraw/zinc/50/03/74/571500374.db2.gz	JXVYXVFWMZFTCT-GSYBUTJLSA-N	0	1	657.814	7.276	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C	ZINC000150445304	571500417	/nfs/dbraw/zinc/50/04/17/571500417.db2.gz	DUCWJVUCEVKFER-ONQGDUAMSA-N	0	1	636.723	5.849	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150445407	571500464	/nfs/dbraw/zinc/50/04/64/571500464.db2.gz	JXVYXVFWMZFTCT-WENCHWOGSA-N	0	1	657.814	7.276	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150445569	571500639	/nfs/dbraw/zinc/50/06/39/571500639.db2.gz	LAAMMYNYDCEMFW-VXJPNWOUSA-N	0	1	662.233	8.003	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150445856	571500761	/nfs/dbraw/zinc/50/07/61/571500761.db2.gz	OFZMUGYCGMCRGQ-DNNDWWBDSA-N	0	1	662.233	8.003	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150445566	571500771	/nfs/dbraw/zinc/50/07/71/571500771.db2.gz	LAAMMYNYDCEMFW-QJGFIUGVSA-N	0	1	662.233	8.003	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000150448823	571501677	/nfs/dbraw/zinc/50/16/77/571501677.db2.gz	FNNBOMBCALBAGJ-WGGXKBPPSA-N	0	1	640.714	6.325	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000150456361	571504535	/nfs/dbraw/zinc/50/45/35/571504535.db2.gz	HEGBMJYEKCELLC-CFQDGGCTSA-N	0	1	672.759	8.100	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(Br)cc1	ZINC000150456532	571504807	/nfs/dbraw/zinc/50/48/07/571504807.db2.gz	SZEOOXOMYNISTA-VEZPTTSMSA-N	0	1	661.519	10.115	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150457403	571504994	/nfs/dbraw/zinc/50/49/94/571504994.db2.gz	GOTFXUMMRMZYHF-QBCYBHDASA-N	0	1	641.771	6.744	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000150458796	571505564	/nfs/dbraw/zinc/50/55/64/571505564.db2.gz	FVOAECDJDNKZBH-MIOXIQPJSA-N	0	1	640.714	6.325	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150459183	571505688	/nfs/dbraw/zinc/50/56/88/571505688.db2.gz	DKYTYDLUXGBXFD-JNYBUSFRSA-N	0	1	665.768	7.498	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150462797	571506711	/nfs/dbraw/zinc/50/67/11/571506711.db2.gz	MVXUFUWGMRNRTA-VDBNUPDGSA-N	0	1	671.841	7.748	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150462762	571506744	/nfs/dbraw/zinc/50/67/44/571506744.db2.gz	RXELSXPDPPZQLN-JNYBUSFRSA-N	0	1	682.223	8.013	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150463395	571507196	/nfs/dbraw/zinc/50/71/96/571507196.db2.gz	NAZIKHTWASDAMV-PLQDCEFPSA-N	0	1	685.868	8.056	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150467637	571508242	/nfs/dbraw/zinc/50/82/42/571508242.db2.gz	REQYMQIYYXRQBN-IUKMQXEJSA-N	0	1	656.569	6.933	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)s2)cc1	ZINC000150470213	571509243	/nfs/dbraw/zinc/50/92/43/571509243.db2.gz	KIYSKAQPCKRGKO-MIOXIQPJSA-N	0	1	643.787	6.961	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150472462	571509981	/nfs/dbraw/zinc/50/99/81/571509981.db2.gz	DEXMIHRCJXSOCU-UUALVTFQSA-N	0	1	650.178	7.060	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150472772	571510118	/nfs/dbraw/zinc/51/01/18/571510118.db2.gz	QQRZUGDTNAWCKG-TXTDGAROSA-N	0	1	678.188	6.845	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000150479556	571511792	/nfs/dbraw/zinc/51/17/92/571511792.db2.gz	GIMMAIRSRUTFIJ-QMMFTLRZSA-N	0	1	684.195	7.460	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150480963	571512277	/nfs/dbraw/zinc/51/22/77/571512277.db2.gz	DEPFJGMSBRVXGD-MIOXIQPJSA-N	0	1	659.786	6.806	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150481368	571512549	/nfs/dbraw/zinc/51/25/49/571512549.db2.gz	IKCPSXMSZSRKNV-LLAWDOGUSA-N	0	1	668.624	7.876	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000150482913	571513639	/nfs/dbraw/zinc/51/36/39/571513639.db2.gz	XRYRFNCECYHCES-TXTDGAROSA-N	0	1	647.750	6.792	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150484893	571515477	/nfs/dbraw/zinc/51/54/77/571515477.db2.gz	JSDQHWDQKBHQLC-AHPONGEQSA-N	0	1	687.840	7.504	50	30		KKEAMN
Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1ccc(OCc2ccccc2)cc1	ZINC000150485470	571515871	/nfs/dbraw/zinc/51/58/71/571515871.db2.gz	OGWJJCRSRVDVRV-UUWRZZSWSA-N	0	1	738.916	9.777	50	30		KKEAMN
C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(OC)c(O)c5)oc-4c32)cc1OC	ZINC000217617843	571601820	/nfs/dbraw/zinc/60/18/20/571601820.db2.gz	LBRJLXKPXIYOQQ-GOSISDBHSA-N	0	1	530.529	5.284	50	30	biogenic	KKEAMN
CCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCC)cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000226872203	572144441	/nfs/dbraw/zinc/14/44/41/572144441.db2.gz	MKUNYHIAHIKVBM-FRXPANAUSA-N	0	1	528.649	6.486	50	30		KKEAMN
CCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1	ZINC000226872203	572144444	/nfs/dbraw/zinc/14/44/44/572144444.db2.gz	MKUNYHIAHIKVBM-FRXPANAUSA-N	0	1	528.649	6.486	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2C[C@H]2CCCO2)ccc1OCc1ccccc1	ZINC000238900015	572188965	/nfs/dbraw/zinc/18/89/65/572188965.db2.gz	HQINUQOZNLTDKL-FLVRFYSZSA-N	0	1	555.627	5.355	50	30		KKEAMN
Oc1c(I)cc(I)cc1C=Nc1c(-c2ccco2)nc2ccc(Cl)cn21	ZINC000252598207	572267140	/nfs/dbraw/zinc/26/71/40/572267140.db2.gz	CYBMQMILUNXGAS-UHFFFAOYSA-N	0	1	589.558	5.913	50	30		KKEAMN
COc1ccc(-c2nc3cc(N=Cc4cc(Cl)cc(I)c4O)ccc3o2)cc1	ZINC000252600476	572267424	/nfs/dbraw/zinc/26/74/24/572267424.db2.gz	DROSIZKFBBXGGE-UHFFFAOYSA-N	0	1	504.711	6.218	50	30		KKEAMN
CCc1ccc(N=C2S/C(=C\c3cc(Cl)cc(Br)c3O)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000252613539	572268410	/nfs/dbraw/zinc/26/84/10/572268410.db2.gz	JCPPAOVPLKYLDI-YLOHPIGASA-N	0	1	541.898	7.742	50	30		KKEAMN
O=[N+]([O-])c1ccccc1-c1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)o1	ZINC000252616895	572268870	/nfs/dbraw/zinc/26/88/70/572268870.db2.gz	KHZAPFKLYDGRIF-UHFFFAOYSA-N	0	1	502.510	5.359	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1C=Nc1ccc2oc(-c3ccccc3Br)nc2c1	ZINC000252625645	572270514	/nfs/dbraw/zinc/27/05/14/572270514.db2.gz	QOIHTUSDXFFSDK-UHFFFAOYSA-N	0	1	551.032	7.239	50	30		KKEAMN
Oc1c(I)cc(I)cc1C=Nc1ccc(Br)cc1	ZINC000252628474	572270944	/nfs/dbraw/zinc/27/09/44/572270944.db2.gz	SRAPOAIYANTFGE-UHFFFAOYSA-N	0	1	527.925	5.115	50	30		KKEAMN
C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)Oc2cc(=O)c3c(O)c(-c4ccc(Cl)cc4)coc-3c21	ZINC000253412387	572288039	/nfs/dbraw/zinc/28/80/39/572288039.db2.gz	QVQQZFDSZCCDHR-LJQANCHMSA-N	0	1	518.949	6.224	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1	ZINC000097999686	1069797484	/nfs/dbraw/zinc/79/74/84/1069797484.db2.gz	UUXIAAGTAHWVRN-XOAACPPSSA-N	0	1	621.177	8.874	50	30		KKEAMN
COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C=C(Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)C[C@@H]1C	ZINC000888088727	1071056341	/nfs/dbraw/zinc/05/63/41/1071056341.db2.gz	OJLKJYVLORBCQI-LKZCTYKCSA-N	0	1	523.973	5.004	50	30		KKEAMN
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc(-c3n[nH]c(-c4ccccn4)n3)cc2)C[C@@H]1C	ZINC000888089820	1071061977	/nfs/dbraw/zinc/06/19/77/1071061977.db2.gz	KFFCUMFKMZGPDW-WNNBVUDTSA-N	0	1	557.994	5.123	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/c1ccc2c(c1)oc1ccccc12	ZINC000106702398	1071071287	/nfs/dbraw/zinc/07/12/87/1071071287.db2.gz	RBIJRMOEDPDNON-LSHDLFTRSA-N	0	1	539.110	6.251	50	30		KKEAMN
C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccc(OC)c(O)c4)oc-3c21	ZINC000217874604	1071292635	/nfs/dbraw/zinc/29/26/35/1071292635.db2.gz	CXSDZJAIUFOBNK-SFHVURJKSA-N	0	1	500.503	5.276	50	30	biogenic	KKEAMN
O=[N+]([O-])c1ccccc1CC=CN=Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]	ZINC000886005255	1071314788	/nfs/dbraw/zinc/31/47/88/1071314788.db2.gz	FUXBCYQCVKTGCT-HFDXGNEISA-N	0	1	501.908	5.068	50	30		KKEAMN
Cc1cc(C=NN=C2NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)c(C)n1-c1ccc(C)cc1C	ZINC000886012551	1071315326	/nfs/dbraw/zinc/31/53/26/1071315326.db2.gz	HGJKSDWYNOUANB-QHCPKHFHSA-N	0	1	512.651	6.190	50	30		KKEAMN
Cc1cc(C=NN=C2NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)c(C)n1-c1ccccc1F	ZINC000886014924	1071315363	/nfs/dbraw/zinc/31/53/63/1071315363.db2.gz	HEWZFYKWVFREAA-NRFANRHFSA-N	0	1	502.587	5.712	50	30		KKEAMN
CCCCCCCCCCC1S/C(=N/N=Cc2cccc(C)c2OS(=O)(=O)c2ccc(Cl)cc2)NC1=O	ZINC000245264199	1072830338	/nfs/dbraw/zinc/83/03/38/1072830338.db2.gz	BZNDPNCBNAXKON-XMMPIXPASA-N	0	1	564.173	6.868	50	30		KKEAMN
CCCCCCCC1S/C(=N/N=Cc2ccc(OS(=O)(=O)c3ccc(I)cc3)cc2)NC1=O	ZINC000252487115	1072834527	/nfs/dbraw/zinc/83/45/27/1072834527.db2.gz	ROWDXNDUOUVRSZ-NRFANRHFSA-N	0	1	599.516	5.341	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1	ZINC000097969646	1072836439	/nfs/dbraw/zinc/83/64/39/1072836439.db2.gz	XMHUGTWNRKCKEC-XIFFEERXSA-N	0	1	560.823	9.121	50	30		KKEAMN
COc1ccc(C=C2CCCc3c2nc2ccccc2c3C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)cc1OC	ZINC000097980987	1072838718	/nfs/dbraw/zinc/83/87/18/1072838718.db2.gz	CIFOATLTLCTFQL-CEMPLAKHSA-N	0	1	553.640	5.927	50	30		KKEAMN
COc1ccc(C=C2CCCc3c2nc2ccccc2c3C(=O)OCC(=O)C(C#N)c2nc(C)cs2)cc1OC	ZINC000097980987	1072838732	/nfs/dbraw/zinc/83/87/32/1072838732.db2.gz	CIFOATLTLCTFQL-CEMPLAKHSA-N	0	1	553.640	5.927	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000000633318	551505669	/nfs/dbraw/zinc/50/56/69/551505669.db2.gz	UUQDUTKUWVNSJG-DEOSSOPVSA-N	0	1	513.575	5.820	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1	ZINC000000702740	551529805	/nfs/dbraw/zinc/52/98/05/551529805.db2.gz	PLHNTQXRPRUIKY-AREMUKBSSA-N	0	1	544.401	6.400	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1	ZINC000000702742	551529817	/nfs/dbraw/zinc/52/98/17/551529817.db2.gz	LSHVXYGVMNPRSV-AOYPEHQESA-N	0	1	503.982	5.676	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1	ZINC000000702942	551529831	/nfs/dbraw/zinc/52/98/31/551529831.db2.gz	VCGGMRRONIMNJB-MUUNZHRXSA-N	0	1	594.645	6.771	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C	ZINC000000703035	551530210	/nfs/dbraw/zinc/53/02/10/551530210.db2.gz	FDOREGMMNLPNNE-AFJIDDCJSA-N	0	1	542.632	5.617	50	30		KKEAMN
COc1cccc([C@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)c1	ZINC000000717147	551534639	/nfs/dbraw/zinc/53/46/39/551534639.db2.gz	JWGCCRBHNDZREE-DWXRJYCRSA-N	0	1	526.942	6.812	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CC(C)C)[C@H]3c3ccccc3Cl)C2)cc1	ZINC000000718150	551535181	/nfs/dbraw/zinc/53/51/81/551535181.db2.gz	VQMQBZHHGLPEHF-UKPGIYTDSA-N	0	1	515.053	7.295	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]3c2cccnc2)cc1	ZINC000000718154	551535197	/nfs/dbraw/zinc/53/51/97/551535197.db2.gz	MGPZATPNNPHAPT-PVAZPRTOSA-N	0	1	591.664	6.330	50	30		KKEAMN
COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2cccc(F)c2)cc(OC)c1OC	ZINC000000719678	551536093	/nfs/dbraw/zinc/53/60/93/551536093.db2.gz	ZDECLTXRBDGWQX-SOKVYYICSA-N	0	1	570.539	6.314	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(Br)c1	ZINC000001168230	551620109	/nfs/dbraw/zinc/62/01/09/551620109.db2.gz	VTPVYIFYCAVANL-WTYVLRPYSA-N	0	1	501.424	6.760	50	30		KKEAMN
COc1cc([C@@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc(OC)c1OC	ZINC000001251408	551632591	/nfs/dbraw/zinc/63/25/91/551632591.db2.gz	ZMMCEEQHVPVEIL-GHRAFVERSA-N	0	1	554.687	6.930	50	30		KKEAMN
CCOc1ccccc1[C@H]1C2=C(C[C@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)C(F)(F)F	ZINC000001261119	551633621	/nfs/dbraw/zinc/63/36/21/551633621.db2.gz	JWHPNEHFOAMISW-VKGTZQKMSA-N	0	1	536.550	6.557	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1	ZINC000001301427	551638192	/nfs/dbraw/zinc/63/81/92/551638192.db2.gz	ZYWGIEIWAWOAQJ-QXNWPYRLSA-N	0	1	548.664	7.058	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000001308591	551639654	/nfs/dbraw/zinc/63/96/54/551639654.db2.gz	QXIONYISBBJWBJ-XDBZFTIUSA-N	0	1	582.575	6.184	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000001411052	551664714	/nfs/dbraw/zinc/66/47/14/551664714.db2.gz	VXKXGDIHGBIMAS-HHHXNRCGSA-N	0	1	512.562	5.102	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O	ZINC000001413432	551665442	/nfs/dbraw/zinc/66/54/42/551665442.db2.gz	ZVZJHMXZIKLGND-SANMLTNESA-N	0	1	561.432	5.856	50	30		KKEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(O)c1	ZINC000001413441	551665838	/nfs/dbraw/zinc/66/58/38/551665838.db2.gz	PCBQRDWHZUDGMO-XMMPIXPASA-N	0	1	517.379	5.457	50	30		KKEAMN
O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(Br)c1	ZINC000001413465	551665886	/nfs/dbraw/zinc/66/58/86/551665886.db2.gz	PJOXGDLTUCXJAR-XMMPIXPASA-N	0	1	519.370	5.891	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000001446916	551674255	/nfs/dbraw/zinc/67/42/55/551674255.db2.gz	BVFFHAARAWYPLJ-QFIPXVFZSA-N	0	1	538.528	5.383	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000001450211	551675322	/nfs/dbraw/zinc/67/53/22/551675322.db2.gz	ZZLNEZNJEGZHQZ-FQEVSTJZSA-N	0	1	525.380	5.833	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC	ZINC000001451082	551675640	/nfs/dbraw/zinc/67/56/40/551675640.db2.gz	QQBIHKWFXHYNHC-XMMPIXPASA-N	0	1	518.591	5.950	50	30		KKEAMN
COc1cccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1	ZINC000001453807	551676425	/nfs/dbraw/zinc/67/64/25/551676425.db2.gz	KTRGCDSVAHFQKF-YUYWZBKDSA-N	0	1	590.676	6.935	50	30		KKEAMN
COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)NC[C@H]2CCCO2)cc1OC	ZINC000001459839	551678030	/nfs/dbraw/zinc/67/80/30/551678030.db2.gz	BUUKWZDNHRKJFA-XHCCPWGMSA-N	0	1	521.683	5.374	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc(Br)cc1	ZINC000001469795	551680141	/nfs/dbraw/zinc/68/01/41/551680141.db2.gz	CXBOZMZXETWROU-JOCHJYFZSA-N	0	1	533.403	6.481	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000001477077	551680897	/nfs/dbraw/zinc/68/08/97/551680897.db2.gz	QOCCXORTOXDSBK-LJAQVGFWSA-N	0	1	542.632	5.097	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000001479911	551681170	/nfs/dbraw/zinc/68/11/70/551681170.db2.gz	YKGMWRSITJVVCZ-DEOSSOPVSA-N	0	1	581.046	6.157	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000001480697	551681975	/nfs/dbraw/zinc/68/19/75/551681975.db2.gz	XIWBQXLGDVDRNL-IBGZPJMESA-N	0	1	527.421	5.912	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000001480872	551682347	/nfs/dbraw/zinc/68/23/47/551682347.db2.gz	QGSXRWRUSZLVIM-DEOSSOPVSA-N	0	1	564.591	5.643	50	30		KKEAMN
O=C(Oc1cccc(Br)c1)c1ccc(/C=N/c2ccc(-c3nc4ccccc4s3)c(O)c2)cc1	ZINC000001953378	551735385	/nfs/dbraw/zinc/73/53/85/551735385.db2.gz	RMQARSBLODKAKB-MUFRIFMGSA-N	0	1	529.415	7.401	50	30		KKEAMN
CCOC(=O)c1c2c(sc1/N=C/c1c3c(cc(Br)c1O)oc1c3CCCC1)CCCC2	ZINC000002296755	552089479	/nfs/dbraw/zinc/08/94/79/552089479.db2.gz	AYLKSPPKMHUWGO-RPPGKUMJSA-N	0	1	502.430	6.647	50	30		KKEAMN
O=C(Cc1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1	ZINC000002774693	552186212	/nfs/dbraw/zinc/18/62/12/552186212.db2.gz	XIQMHGHIBKBPHS-RBBQXQBVSA-N	0	1	537.034	7.622	50	30		KKEAMN
Cc1ccc2oc(-c3ccc(/N=C/c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)cc3O)nc2c1	ZINC000003143687	552296145	/nfs/dbraw/zinc/29/61/45/552296145.db2.gz	ANJWFQTWHFRJFR-RWPZCVJISA-N	0	1	510.462	6.868	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1/C=N/c1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1	ZINC000003184607	552301130	/nfs/dbraw/zinc/30/11/30/552301130.db2.gz	HXTYOSKLJRHJLT-YCPBAFNGSA-N	0	1	541.026	7.783	50	30		KKEAMN
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000003216230	552307812	/nfs/dbraw/zinc/30/78/12/552307812.db2.gz	QQRKKKZKYBWTSF-UHFFFAOYSA-N	0	1	556.406	6.796	50	30		KKEAMN
O=C(CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2s1)NCc1ccccc1	ZINC000003663613	552408092	/nfs/dbraw/zinc/40/80/92/552408092.db2.gz	VMWDAHMZZPYBQT-RPPGKUMJSA-N	0	1	591.350	6.686	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000003979820	552424442	/nfs/dbraw/zinc/42/44/42/552424442.db2.gz	WJPPKXJNCVILBN-LJAQVGFWSA-N	0	1	536.584	5.462	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000004649984	552471216	/nfs/dbraw/zinc/47/12/16/552471216.db2.gz	UXHWWQAFAIWGKL-NDEPHWFRSA-N	0	1	542.035	6.093	50	30		KKEAMN
N#C[C@@H](C(=O)c1nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3)cc2)nc(N)c1-c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000005345108	552497969	/nfs/dbraw/zinc/49/79/69/552497969.db2.gz	OASFEBMCGMZGPW-AREMUKBSSA-N	0	1	716.632	6.450	50	30		KKEAMN
Cc1c(C#N)c2nc3ccccc3n2c(N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)c1Cc1ccccc1	ZINC000005351295	552498296	/nfs/dbraw/zinc/49/82/96/552498296.db2.gz	OKVTXPSFRUHTHT-DHUJRADRSA-N	0	1	582.151	7.823	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)cc2)cc1C	ZINC000005355376	552498547	/nfs/dbraw/zinc/49/85/47/552498547.db2.gz	FRQXSEBTQZLAED-QHCPKHFHSA-N	0	1	550.633	5.517	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(O)c(OCC)c2)cc1C	ZINC000005355361	552498700	/nfs/dbraw/zinc/49/87/00/552498700.db2.gz	KBXTXZFXTNAADZ-DEOSSOPVSA-N	0	1	580.659	5.613	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000005356997	552499346	/nfs/dbraw/zinc/49/93/46/552499346.db2.gz	SZCRBHAESOYHCM-HSZRJFAPSA-N	0	1	561.015	6.467	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)c(C)c1	ZINC000005357398	552499635	/nfs/dbraw/zinc/49/96/35/552499635.db2.gz	LMMOMRWOZMBOFO-NRFANRHFSA-N	0	1	539.009	5.548	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)c(C)c1	ZINC000005357315	552499698	/nfs/dbraw/zinc/49/96/98/552499698.db2.gz	HRKZQJUARKGBLA-JOCHJYFZSA-N	0	1	536.581	5.423	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)c(C)c1	ZINC000005357326	552499776	/nfs/dbraw/zinc/49/97/76/552499776.db2.gz	HRKZQJUARKGBLA-QFIPXVFZSA-N	0	1	536.581	5.423	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC=C)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000005357302	552499792	/nfs/dbraw/zinc/49/97/92/552499792.db2.gz	RWJVTNXHKHVYCF-VWLOTQADSA-N	0	1	574.655	5.849	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000005402310	552501425	/nfs/dbraw/zinc/50/14/25/552501425.db2.gz	NCTQHJXXJHVCMG-SANMLTNESA-N	0	1	617.705	6.273	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000005927775	552513089	/nfs/dbraw/zinc/51/30/89/552513089.db2.gz	WKLUHGOCNWUOCW-QFIPXVFZSA-N	0	1	553.036	5.938	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)s1	ZINC000006143931	552545421	/nfs/dbraw/zinc/54/54/21/552545421.db2.gz	QXWULKYLVBTWDX-QFIPXVFZSA-N	0	1	503.967	6.075	50	30		KKEAMN
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)COc2ccc(Nc3ccccc3)cc2)cc1	ZINC000006146301	552547911	/nfs/dbraw/zinc/54/79/11/552547911.db2.gz	IEHSRKZOFXPKRL-UHFFFAOYSA-N	0	1	596.503	7.059	50	30		KKEAMN
COc1ccc(Nc2nc(N=NCc3cc(Cl)cc(Cl)c3O)nc(NCc3ccco3)n2)cc1	ZINC000006156939	552552514	/nfs/dbraw/zinc/55/25/14/552552514.db2.gz	CONRFRGMWNQKOQ-KBKYJPHKSA-N	0	1	500.346	5.287	50	30		KKEAMN
COc1ccc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C3[C@@H]2c2ccccc2Cl)cc1	ZINC000006289632	552578882	/nfs/dbraw/zinc/57/88/82/552578882.db2.gz	JKFZVNAGYLWBEU-KCEHZKJRSA-N	0	1	553.033	7.702	50	30		KKEAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc(-c4ccccc4)cc(C(F)(F)F)c3C#N)cc2)n1	ZINC000006348543	552581768	/nfs/dbraw/zinc/58/17/68/552581768.db2.gz	RTEDTUYJNQZWBG-UHFFFAOYSA-N	0	1	598.632	5.578	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1ccccc1	ZINC000008383382	552986523	/nfs/dbraw/zinc/98/65/23/552986523.db2.gz	ULECHWDGEWYFGS-HHHXNRCGSA-N	0	1	575.671	7.513	50	30		KKEAMN
CCc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000008383419	552986611	/nfs/dbraw/zinc/98/66/11/552986611.db2.gz	IAWGWGDLNACLOJ-RUZDIDTESA-N	0	1	588.110	7.575	50	30		KKEAMN
CCc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000008383469	552986843	/nfs/dbraw/zinc/98/68/43/552986843.db2.gz	XLJWUSNPSKSDKO-RUZDIDTESA-N	0	1	571.655	7.061	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(N(C)C)cc3)s2)cc1	ZINC000008384025	552988676	/nfs/dbraw/zinc/98/86/76/552988676.db2.gz	LOHKNIYOWYKEOM-SANMLTNESA-N	0	1	582.707	6.734	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@H]2c2ccc(Br)cc2)C1	ZINC000008395957	552994467	/nfs/dbraw/zinc/99/44/67/552994467.db2.gz	UUZXFWTYLIERMI-NDEPHWFRSA-N	0	1	515.451	6.835	50	30		KKEAMN
COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000008398966	553000064	/nfs/dbraw/zinc/00/00/64/553000064.db2.gz	IUMUMPGNKFQTDX-HHHXNRCGSA-N	0	1	536.459	7.851	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000008398923	553000097	/nfs/dbraw/zinc/00/00/97/553000097.db2.gz	KDFSJBXMDUSNAH-UDNBHOFDSA-N	0	1	539.632	7.084	50	30		KKEAMN
Cc1ccc2oc(-c3cccc(/N=C\c4cc(I)cc(I)c4O)c3)nc2c1	ZINC000008427082	553019349	/nfs/dbraw/zinc/01/93/49/553019349.db2.gz	NKIYHQKLCNTKMQ-MYKKPKGFSA-N	0	1	580.163	6.469	50	30		KKEAMN
Cc1ccc(-c2nc3cc(/N=C/c4cc(I)cc(I)c4O)ccc3o2)cc1	ZINC000008427420	553019908	/nfs/dbraw/zinc/01/99/08/553019908.db2.gz	UNNMNLMHDUIGJS-BHGWPJFGSA-N	0	1	580.163	6.469	50	30		KKEAMN
COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(Br)cc2)cc1	ZINC000008430979	553022137	/nfs/dbraw/zinc/02/21/37/553022137.db2.gz	AZILRVYKSGMKSM-MHZLTWQESA-N	0	1	531.450	6.915	50	30		KKEAMN
COc1cccc([C@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1	ZINC000008432437	553026174	/nfs/dbraw/zinc/02/61/74/553026174.db2.gz	VWEZLJYQJVUPKD-NHOCJEJCSA-N	0	1	608.666	7.075	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F	ZINC000008440624	553038201	/nfs/dbraw/zinc/03/82/01/553038201.db2.gz	ZIPFJBKWMTUCIF-NDEPHWFRSA-N	0	1	541.579	5.278	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC	ZINC000008441133	553039572	/nfs/dbraw/zinc/03/95/72/553039572.db2.gz	IJVASGSORHPDMI-AREMUKBSSA-N	0	1	574.655	6.761	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000008441069	553039615	/nfs/dbraw/zinc/03/96/15/553039615.db2.gz	CLUDXZJPTMVKLP-QFIPXVFZSA-N	0	1	537.410	6.543	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC	ZINC000008441219	553039945	/nfs/dbraw/zinc/03/99/45/553039945.db2.gz	XMHVTWLLKTVENA-GDLZYMKVSA-N	0	1	641.771	7.937	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1	ZINC000008441515	553040972	/nfs/dbraw/zinc/04/09/72/553040972.db2.gz	JWAWBNWTSUPJDF-KKCLFWLVSA-N	0	1	505.611	5.336	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000008441743	553042221	/nfs/dbraw/zinc/04/22/21/553042221.db2.gz	NWKJHYWXSBMUFL-DEOSSOPVSA-N	0	1	575.440	6.987	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1	ZINC000008441760	553042244	/nfs/dbraw/zinc/04/22/44/553042244.db2.gz	PWGOUDSTFIMIRN-WJOKGBTCSA-N	0	1	529.592	6.833	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000008441786	553042341	/nfs/dbraw/zinc/04/23/41/553042341.db2.gz	CZKCMKZKBLTHIF-WJOKGBTCSA-N	0	1	647.778	8.692	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000008441789	553042421	/nfs/dbraw/zinc/04/24/21/553042421.db2.gz	VHMGFMOLLAKZNJ-SSEXGKCCSA-N	0	1	631.735	8.078	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000008444103	553048983	/nfs/dbraw/zinc/04/89/83/553048983.db2.gz	KUHFNBIQGOQYCS-JADSYQMUSA-N	0	1	542.679	8.080	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1	ZINC000008444083	553049050	/nfs/dbraw/zinc/04/90/50/553049050.db2.gz	IVIVMMAVNODBNU-SXSCYYOBSA-N	0	1	570.733	8.747	50	30		KKEAMN
O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1	ZINC000008444127	553049335	/nfs/dbraw/zinc/04/93/35/553049335.db2.gz	JEEHTRCHNXMPPE-KLFBTDGFSA-N	0	1	576.696	8.480	50	30		KKEAMN
CCCOc1ccccc1[C@@H]1C2=C(C[C@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1	ZINC000008444107	553049352	/nfs/dbraw/zinc/04/93/52/553049352.db2.gz	MUBHCCUBTAOKDO-OSPAZUARSA-N	0	1	558.678	7.698	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(N(CC)CC)cc3)CC(=O)C2[C@@H]1c1ccco1	ZINC000008445065	553052860	/nfs/dbraw/zinc/05/28/60/553052860.db2.gz	HJXSFSNWYRJIMN-IANOAQMISA-N	0	1	525.693	7.607	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000008445131	553053415	/nfs/dbraw/zinc/05/34/15/553053415.db2.gz	PLUWBBVOAUSTMD-JPZYQRIQSA-N	0	1	544.051	7.729	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000008445130	553053445	/nfs/dbraw/zinc/05/34/45/553053445.db2.gz	PLUWBBVOAUSTMD-UVDDSOTQSA-N	0	1	544.051	7.729	50	30		KKEAMN
Clc1ccccc1COc1cccc([N-][NH+]=Cc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1	ZINC000008445686	553054678	/nfs/dbraw/zinc/05/46/78/553054678.db2.gz	VNXDVASDZZUAFV-ZCTHSVRISA-N	0	1	522.012	7.037	50	30		KKEAMN
Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000008450848	553059440	/nfs/dbraw/zinc/05/94/40/553059440.db2.gz	AABSDELTGRHGBY-GOXGLGGOSA-N	0	1	529.596	7.118	50	30		KKEAMN
CCOC(=O)c1c2cc(Oc3nccc(Nc4ccccc4)c3C#N)ccc2n(-c2ccc(OC)cc2)c1CN(C)C	ZINC000008453851	553067187	/nfs/dbraw/zinc/06/71/87/553067187.db2.gz	OHDAQNZQVFOVLH-UHFFFAOYSA-N	0	1	561.642	6.680	50	30		KKEAMN
CC[C@H](C)Oc1ccccc1[C@H]1C2=C(C[C@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(C)=O	ZINC000008695584	553122206	/nfs/dbraw/zinc/12/22/06/553122206.db2.gz	BWKVHCZHZKCQPZ-INZDWPOASA-N	0	1	540.660	6.802	50	30		KKEAMN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2cccc(Cl)c2)cc1	ZINC000008695600	553122477	/nfs/dbraw/zinc/12/24/77/553122477.db2.gz	FBDPOSQCOIOTCW-AFMDSPMNSA-N	0	1	510.943	7.111	50	30		KKEAMN
C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@]2(O)C/N=C/c1cc(Cl)cc(Cl)c1O	ZINC000008739270	553131406	/nfs/dbraw/zinc/13/14/06/553131406.db2.gz	IMNYBTVHQUPUHM-NQCZRDMCSA-N	0	1	534.524	6.555	50	30	biogenic	KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000008741003	553132404	/nfs/dbraw/zinc/13/24/04/553132404.db2.gz	UZDODZWHTCEZHX-HXUWFJFHSA-N	0	1	509.381	5.997	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000008770840	553141236	/nfs/dbraw/zinc/14/12/36/553141236.db2.gz	UQKVHFJORMZJAU-GDLZYMKVSA-N	0	1	522.645	6.685	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(OC)cc2OC)cc1	ZINC000008775464	553142305	/nfs/dbraw/zinc/14/23/05/553142305.db2.gz	VAMFYWOANXSMAH-HHHXNRCGSA-N	0	1	512.562	5.015	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c(OC)c1	ZINC000008775571	553142406	/nfs/dbraw/zinc/14/24/06/553142406.db2.gz	HRXWHOWQWBBGOL-AREMUKBSSA-N	0	1	561.432	5.769	50	30		KKEAMN
COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)c1	ZINC000008775967	553142580	/nfs/dbraw/zinc/14/25/80/553142580.db2.gz	PKMDQELUIHNCIJ-HHHXNRCGSA-N	0	1	536.459	7.851	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)C1	ZINC000008817463	553152588	/nfs/dbraw/zinc/15/25/88/553152588.db2.gz	FYPDESGCYYHYTM-SANMLTNESA-N	0	1	501.424	6.906	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C	ZINC000008817509	553152801	/nfs/dbraw/zinc/15/28/01/553152801.db2.gz	KHYUVAJXGNXLBB-QHCPKHFHSA-N	0	1	505.442	5.477	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C	ZINC000008817509	553152803	/nfs/dbraw/zinc/15/28/03/553152803.db2.gz	KHYUVAJXGNXLBB-QHCPKHFHSA-N	0	1	505.442	5.477	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccccc3F)sc2c1	ZINC000008817886	553153100	/nfs/dbraw/zinc/15/31/00/553153100.db2.gz	JJSYZBTZHYGDLE-QHCPKHFHSA-N	0	1	504.539	5.626	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)cc1Cl	ZINC000008827794	553156994	/nfs/dbraw/zinc/15/69/94/553156994.db2.gz	XULUFLHLTVOAIM-IBGZPJMESA-N	0	1	503.736	5.190	50	30		KKEAMN
COc1ccc(CNC(=O)C(C#N)c2nc3ccccc3nc2N2CCC(Cc3ccccc3)CC2)cc1	ZINC000008836122	553162931	/nfs/dbraw/zinc/16/29/31/553162931.db2.gz	YDVCNYMQQODAKU-SANMLTNESA-N	0	1	505.622	5.021	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1cccs1	ZINC000008846356	553166090	/nfs/dbraw/zinc/16/60/90/553166090.db2.gz	KOSGRGSZYAPMSN-UDNBHOFDSA-N	0	1	526.746	8.527	50	30		KKEAMN
O=C(C1CC1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(Cl)cc1Cl	ZINC000008846340	553166134	/nfs/dbraw/zinc/16/61/34/553166134.db2.gz	UOUMMBULCORECE-WHLCRQNOSA-N	0	1	503.429	7.304	50	30		KKEAMN
Cc1ccc(C)c(Nc2nc(N=NCc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)nc(N3CCOCC3)n2)c1	ZINC000008872969	553174572	/nfs/dbraw/zinc/17/45/72/553174572.db2.gz	DEGWDNMZRNWKNY-MBTHVWNTSA-N	0	1	548.991	5.336	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2F)cc1	ZINC000008892677	553176763	/nfs/dbraw/zinc/17/67/63/553176763.db2.gz	AIEWEWZERRYHON-NRFANRHFSA-N	0	1	522.554	5.115	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000008894381	553177559	/nfs/dbraw/zinc/17/75/59/553177559.db2.gz	FZQOEOXYEJCOAA-JOCHJYFZSA-N	0	1	503.511	5.689	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000008921225	553189665	/nfs/dbraw/zinc/18/96/65/553189665.db2.gz	IUFFTLQWVXMURO-IBGZPJMESA-N	0	1	511.422	6.212	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Br)c2)cc1C	ZINC000008922212	553190040	/nfs/dbraw/zinc/19/00/40/553190040.db2.gz	RFQWTTGKSATXRV-HSZRJFAPSA-N	0	1	515.448	5.076	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Br)c2)cc1C	ZINC000008922212	553190041	/nfs/dbraw/zinc/19/00/41/553190041.db2.gz	RFQWTTGKSATXRV-HSZRJFAPSA-N	0	1	515.448	5.076	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000008987915	553196831	/nfs/dbraw/zinc/19/68/31/553196831.db2.gz	CZBSWVLDYNGBSM-QGZVFWFLSA-N	0	1	503.363	5.328	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000008996401	553197231	/nfs/dbraw/zinc/19/72/31/553197231.db2.gz	SRZBFVQEZVOOGX-QFIPXVFZSA-N	0	1	520.563	5.260	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1ccccc1Cl	ZINC000009011986	553199864	/nfs/dbraw/zinc/19/98/64/553199864.db2.gz	JRDSMGABDMROBV-JPQMRUPTSA-N	0	1	513.081	8.129	50	30		KKEAMN
CCN(CC)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1	ZINC000009034209	553202111	/nfs/dbraw/zinc/20/21/11/553202111.db2.gz	DCMFSNKEJDFFFC-PMERELPUSA-N	0	1	524.734	7.546	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009046537	553204018	/nfs/dbraw/zinc/20/40/18/553204018.db2.gz	IMBUGKNWDUTYKL-NRFANRHFSA-N	0	1	505.483	5.135	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC	ZINC000009065016	553205717	/nfs/dbraw/zinc/20/57/17/553205717.db2.gz	PXVNFMVAGFCRMK-NRFANRHFSA-N	0	1	506.536	5.006	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000009066382	553206139	/nfs/dbraw/zinc/20/61/39/553206139.db2.gz	JGCZZOKMRGONRC-QHCPKHFHSA-N	0	1	504.539	5.626	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000009071741	553207033	/nfs/dbraw/zinc/20/70/33/553207033.db2.gz	SXGZJCAGMVXKRU-GDLZYMKVSA-N	0	1	526.677	6.011	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000009071741	553207034	/nfs/dbraw/zinc/20/70/34/553207034.db2.gz	SXGZJCAGMVXKRU-GDLZYMKVSA-N	0	1	526.677	6.011	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@H]2c2ccccc2)nc1C	ZINC000009071853	553207110	/nfs/dbraw/zinc/20/71/10/553207110.db2.gz	MQJKPTWKTSRCRV-LJQANCHMSA-N	0	1	512.971	5.073	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009123123	553212294	/nfs/dbraw/zinc/21/22/94/553212294.db2.gz	HHEKDULBEZRVQK-QFIPXVFZSA-N	0	1	517.519	5.005	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000009158247	553215092	/nfs/dbraw/zinc/21/50/92/553215092.db2.gz	SZHPCYPHLAWEPB-JCOAXYOVSA-N	0	1	512.606	6.023	50	30		KKEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)c1C	ZINC000009159246	553215297	/nfs/dbraw/zinc/21/52/97/553215297.db2.gz	YKQYAVQWZGQRBN-RUZDIDTESA-N	0	1	501.583	5.105	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccc2Cl)no1	ZINC000009186652	553217686	/nfs/dbraw/zinc/21/76/86/553217686.db2.gz	BURYFSGWUQDQKY-HXUWFJFHSA-N	0	1	515.791	6.171	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC	ZINC000009242559	553226363	/nfs/dbraw/zinc/22/63/63/553226363.db2.gz	HQQIDDBYXZZMJZ-VWLOTQADSA-N	0	1	506.555	5.352	50	30		KKEAMN
COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)NCc1ccco1	ZINC000009264344	553229100	/nfs/dbraw/zinc/22/91/00/553229100.db2.gz	YRAUWFPXWWNXML-SONOPUAISA-N	0	1	509.562	6.165	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000009271223	553230718	/nfs/dbraw/zinc/23/07/18/553230718.db2.gz	BGPYXLCAVIZVRE-XMMPIXPASA-N	0	1	516.550	5.792	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1	ZINC000009271257	553230746	/nfs/dbraw/zinc/23/07/46/553230746.db2.gz	VUVUYPFJTZPUJK-QFIPXVFZSA-N	0	1	520.538	5.244	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(Br)c1	ZINC000009272201	553231454	/nfs/dbraw/zinc/23/14/54/553231454.db2.gz	APCVVIVNXRSBNB-QHCPKHFHSA-N	0	1	516.432	5.407	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C	ZINC000009272985	553232067	/nfs/dbraw/zinc/23/20/67/553232067.db2.gz	CTLOJJBRZIUMOG-VWLOTQADSA-N	0	1	525.432	6.510	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccnc3)ccc2O1	ZINC000009291562	553234605	/nfs/dbraw/zinc/23/46/05/553234605.db2.gz	KKGLGKATUPPIHV-WHEQGISXSA-N	0	1	503.967	5.451	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccnc3)ccc2O1	ZINC000009291565	553234720	/nfs/dbraw/zinc/23/47/20/553234720.db2.gz	KKGLGKATUPPIHV-XMHCIUCPSA-N	0	1	503.967	5.451	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000009292956	553235245	/nfs/dbraw/zinc/23/52/45/553235245.db2.gz	IEMPKXQZUACFQY-IIMAJNMQSA-N	0	1	517.581	6.581	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC)cc3)sc2c1	ZINC000009302046	553236188	/nfs/dbraw/zinc/23/61/88/553236188.db2.gz	AFZXYLFVRZQWOH-HSZRJFAPSA-N	0	1	520.994	6.140	50	30		KKEAMN
CCCCc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4C#N)c4ccccc34)C(=O)NC2=S)cc1	ZINC000009311132	553239242	/nfs/dbraw/zinc/23/92/42/553239242.db2.gz	ZZGKMFCXVONBSK-PKAZHMFMSA-N	0	1	518.642	5.735	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000009312765	553240412	/nfs/dbraw/zinc/24/04/12/553240412.db2.gz	AQOXLHRCYZOJFB-AFJIDDCJSA-N	0	1	527.617	5.976	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000009313028	553240908	/nfs/dbraw/zinc/24/09/08/553240908.db2.gz	AIPFDMSNWIOQEH-LGGPFLRQSA-N	0	1	511.618	6.213	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000009328397	553242045	/nfs/dbraw/zinc/24/20/45/553242045.db2.gz	ONHMBDJMPCJCBB-IQMFZBJNSA-N	0	1	512.393	5.182	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000009328951	553242304	/nfs/dbraw/zinc/24/23/04/553242304.db2.gz	AJWUGSWPBSUULJ-GDJIYFAZSA-N	0	1	531.605	5.959	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000009349925	553245038	/nfs/dbraw/zinc/24/50/38/553245038.db2.gz	WYTOLSQVLLPQPV-VKGTZQKMSA-N	0	1	526.589	5.147	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	ZINC000009357344	553246962	/nfs/dbraw/zinc/24/69/62/553246962.db2.gz	CHDTWOHWBIDZTA-FQEVSTJZSA-N	0	1	513.384	5.305	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000009357861	553247221	/nfs/dbraw/zinc/24/72/21/553247221.db2.gz	WCSFUJRSXGWBGX-LYZGTLIUSA-N	0	1	529.637	5.444	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2cccc(Br)c2)cc1C	ZINC000009358594	553247657	/nfs/dbraw/zinc/24/76/57/553247657.db2.gz	ZWHQDMBADODNIQ-HSZRJFAPSA-N	0	1	516.432	5.551	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	ZINC000009359572	553247940	/nfs/dbraw/zinc/24/79/40/553247940.db2.gz	IBMJPWDUXCRDFQ-HXUWFJFHSA-N	0	1	502.832	6.050	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000009370749	553250191	/nfs/dbraw/zinc/25/01/91/553250191.db2.gz	UIKHFVHWNWDKCK-RUZDIDTESA-N	0	1	501.539	5.256	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000009373945	553250694	/nfs/dbraw/zinc/25/06/94/553250694.db2.gz	AQOXLHRCYZOJFB-WRONEBCDSA-N	0	1	527.617	5.976	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000009374445	553250748	/nfs/dbraw/zinc/25/07/48/553250748.db2.gz	XZWSMVATWMCPHE-SANMLTNESA-N	0	1	502.567	5.055	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)c(OC)c2)c(C)c1	ZINC000009380598	553251912	/nfs/dbraw/zinc/25/19/12/553251912.db2.gz	TVQCSHQLOLJACK-AREMUKBSSA-N	0	1	502.567	5.062	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)c(OC)c2)c(C)c1	ZINC000009380599	553251936	/nfs/dbraw/zinc/25/19/36/553251936.db2.gz	TVQCSHQLOLJACK-SANMLTNESA-N	0	1	502.567	5.062	50	30		KKEAMN
CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000009424346	553258725	/nfs/dbraw/zinc/25/87/25/553258725.db2.gz	ZDTSWUAWXDCQMQ-CHJDUVSTSA-N	0	1	509.606	6.813	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(Br)cc1	ZINC000009424598	553258859	/nfs/dbraw/zinc/25/88/59/553258859.db2.gz	GZBPLOVFWVSVIA-XMMPIXPASA-N	0	1	520.379	5.041	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000009427533	553259829	/nfs/dbraw/zinc/25/98/29/553259829.db2.gz	COLFFLHIHXVIMJ-MNNSJKJDSA-N	0	1	510.565	5.923	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000009457943	553266564	/nfs/dbraw/zinc/26/65/64/553266564.db2.gz	CKKRNRARBDYHMZ-NDEPHWFRSA-N	0	1	529.589	5.424	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccs2)cc1	ZINC000009461234	553267617	/nfs/dbraw/zinc/26/76/17/553267617.db2.gz	IRAILGPBRGGKPX-IBGZPJMESA-N	0	1	512.609	5.261	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(F)cc3)cc2)c1	ZINC000009463528	553269180	/nfs/dbraw/zinc/26/91/80/553269180.db2.gz	OIIYWLPSTBOIBJ-NDEPHWFRSA-N	0	1	508.549	5.887	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000009471164	553269738	/nfs/dbraw/zinc/26/97/38/553269738.db2.gz	WWCFLFGELILSNY-MMTVBGGISA-N	0	1	512.606	5.608	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccncc1	ZINC000009471427	553269931	/nfs/dbraw/zinc/26/99/31/553269931.db2.gz	SQSIWWYVUHKRLQ-OGVWKLGRSA-N	0	1	521.705	7.860	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCOC)cc1	ZINC000009507077	553275737	/nfs/dbraw/zinc/27/57/37/553275737.db2.gz	BFXXGAHJPHISAQ-LJAQVGFWSA-N	0	1	527.617	5.754	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(Cl)c3)cc2)c1	ZINC000009508058	553276007	/nfs/dbraw/zinc/27/60/07/553276007.db2.gz	HXBGASXQYLUKRE-MHZLTWQESA-N	0	1	513.977	6.599	50	30		KKEAMN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cccc(F)c2)cc1	ZINC000009510938	553276367	/nfs/dbraw/zinc/27/63/67/553276367.db2.gz	PXFLDFFHZYJPMO-ZOYWYXQUSA-N	0	1	502.589	7.349	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc(F)c2)cc1	ZINC000009553342	553278385	/nfs/dbraw/zinc/27/83/85/553278385.db2.gz	FEKWHYGUYGLAEW-QNLPTKCRSA-N	0	1	518.588	7.049	50	30		KKEAMN
O=C(c1ccc(Cl)cc1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1F	ZINC000009720403	553300789	/nfs/dbraw/zinc/30/07/89/553300789.db2.gz	ZUQSHKMTXZJWIX-JPZYQRIQSA-N	0	1	523.007	7.694	50	30		KKEAMN
O=C(c1ccc(Cl)cc1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1F	ZINC000009720986	553300896	/nfs/dbraw/zinc/30/08/96/553300896.db2.gz	ZUQSHKMTXZJWIX-UGDMGKLASA-N	0	1	523.007	7.694	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1	ZINC000009994301	553324703	/nfs/dbraw/zinc/32/47/03/553324703.db2.gz	UCQATHMPIFSABC-MUUNZHRXSA-N	0	1	534.697	5.382	50	30		KKEAMN
CCN1CCN(c2nc3ccccc3nc2Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)CC1	ZINC000012559100	553393971	/nfs/dbraw/zinc/39/39/71/553393971.db2.gz	RPCATYAOCOHBGL-UHFFFAOYSA-N	0	1	500.606	6.314	50	30		KKEAMN
Cc1ccc(S(=O)(=O)N[C@@H]2c3cccc4cccc(c34)[C@H]2Sc2nncn2N=C2CCCC2)cc1	ZINC000012650284	553409504	/nfs/dbraw/zinc/40/95/04/553409504.db2.gz	HBWBAACCGRNOOS-JWQCQUIFSA-N	0	1	503.653	5.384	50	30		KKEAMN
COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)c1ccc(C)cc1	ZINC000012652389	553409990	/nfs/dbraw/zinc/40/99/90/553409990.db2.gz	CPOJYNXPCLRADE-JPZYQRIQSA-N	0	1	504.586	6.811	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(Cl)c3)cc2)c1	ZINC000013571307	553473869	/nfs/dbraw/zinc/47/38/69/553473869.db2.gz	BOUKOHSAJXXNNW-NDEPHWFRSA-N	0	1	525.004	6.401	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@H]3c2cccc(F)c2)cc1	ZINC000013893214	553494434	/nfs/dbraw/zinc/49/44/34/553494434.db2.gz	GPJHBWFOIFMUSH-DFXYEROKSA-N	0	1	524.617	7.110	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2)cc1	ZINC000016729522	553575576	/nfs/dbraw/zinc/57/55/76/553575576.db2.gz	XWTAXIREUVLUAZ-QFIPXVFZSA-N	0	1	520.607	5.590	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000016729921	553576040	/nfs/dbraw/zinc/57/60/40/553576040.db2.gz	PTZZGIKQEHVYOC-MUUNZHRXSA-N	0	1	533.621	6.425	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000016729944	553576142	/nfs/dbraw/zinc/57/61/42/553576142.db2.gz	CSGVPFXMNVKXPH-YTMVLYRLSA-N	0	1	527.617	6.415	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCCCC)cc2)cc1	ZINC000016730009	553576353	/nfs/dbraw/zinc/57/63/53/553576353.db2.gz	JFCVCUSWCNPTDR-HHHXNRCGSA-N	0	1	503.595	6.416	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F	ZINC000016731248	553577083	/nfs/dbraw/zinc/57/70/83/553577083.db2.gz	CPHJGLUPRZFWHY-MUUNZHRXSA-N	0	1	524.548	5.587	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000016742282	553580163	/nfs/dbraw/zinc/58/01/63/553580163.db2.gz	XXXJXWKBAOZVSS-IBGZPJMESA-N	0	1	508.939	5.421	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccnc3)s2)cc1	ZINC000016806223	553583169	/nfs/dbraw/zinc/58/31/69/553583169.db2.gz	SYTXNDSPKONHII-JOCHJYFZSA-N	0	1	514.632	5.625	50	30		KKEAMN
COc1ccc(C=Nn2c(=S)[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1	ZINC000016956902	553585084	/nfs/dbraw/zinc/58/50/84/553585084.db2.gz	LAMWVKUHENQBIO-JFLMPSFJSA-N	0	1	506.584	5.103	50	30		KKEAMN
COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)c1	ZINC000017028031	553586947	/nfs/dbraw/zinc/58/69/47/553586947.db2.gz	XEDUAZAMCOWNNS-GDLZYMKVSA-N	0	1	501.026	6.734	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@@H](c4cccc([N+](=O)[O-])c4)CC3=O)Nc3ccccc3N2C(C)=O)cc1OC	ZINC000017028937	553587007	/nfs/dbraw/zinc/58/70/07/553587007.db2.gz	VECBMELOEXSNLQ-ACSYHNTCSA-N	0	1	513.550	5.533	50	30		KKEAMN
CC[C@H](C)Oc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1	ZINC000070673527	553603687	/nfs/dbraw/zinc/60/36/87/553603687.db2.gz	MHFJRRFBLLMGGM-KRZZXNESSA-N	0	1	602.731	8.096	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc1OC	ZINC000018101436	553604403	/nfs/dbraw/zinc/60/44/03/553604403.db2.gz	VMMHRLAQOLUHGZ-UDNBHOFDSA-N	0	1	524.661	6.922	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1	ZINC000018105960	553604480	/nfs/dbraw/zinc/60/44/80/553604480.db2.gz	KFWHLJAZLWQBRL-IJAHGLKVSA-N	0	1	528.652	7.576	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC34CC5CC(CC(C5)C3)C4)[C@H]2c2ccc(F)cc2)C1	ZINC000018116534	553605091	/nfs/dbraw/zinc/60/50/91/553605091.db2.gz	WJOUFJCMEFCKJO-UVZMICEWSA-N	0	1	513.657	7.121	50	30		KKEAMN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)[C@H]3C[C@@H]12	ZINC000070687959	553607755	/nfs/dbraw/zinc/60/77/55/553607755.db2.gz	ZGGVOXYWOVDRQW-XSCYCRSJSA-N	0	1	520.664	5.986	50	30	biogenic	KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@H]2c2ccc(C(F)(F)F)cc2)C1	ZINC000018244246	553611079	/nfs/dbraw/zinc/61/10/79/553611079.db2.gz	CIQGUNRERSRGKF-SANMLTNESA-N	0	1	521.608	7.719	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000018250756	553611592	/nfs/dbraw/zinc/61/15/92/553611592.db2.gz	QPJFBALCNWJORW-UVDDSOTQSA-N	0	1	527.596	7.215	50	30		KKEAMN
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc([N+](=O)[O-])c1O	ZINC000019938759	553637699	/nfs/dbraw/zinc/63/76/99/553637699.db2.gz	CSSITDPKQNXPQD-CRYYWNKWSA-N	0	1	501.539	5.687	50	30		KKEAMN
N#Cc1c2c(c(N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)n3c4ccccc4nc13)CCC2	ZINC000020057832	553671456	/nfs/dbraw/zinc/67/14/56/553671456.db2.gz	VHYDLMBFYLSAKH-PMERELPUSA-N	0	1	518.064	6.413	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020083450	553684212	/nfs/dbraw/zinc/68/42/12/553684212.db2.gz	BZSWGDMBZOUWOL-MUUNZHRXSA-N	0	1	514.622	5.113	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000020083450	553684214	/nfs/dbraw/zinc/68/42/14/553684214.db2.gz	BZSWGDMBZOUWOL-MUUNZHRXSA-N	0	1	514.622	5.113	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl	ZINC000095346202	553700975	/nfs/dbraw/zinc/70/09/75/553700975.db2.gz	UQKSHNWUUXECPW-RUZDIDTESA-N	0	1	522.045	5.901	50	30		KKEAMN
FC(F)(F)c1ccc(N=NC(=NNc2ccc(C(F)(F)F)cc2)c2ncc(C(F)(F)F)cc2Cl)cc1	ZINC000095686738	553708290	/nfs/dbraw/zinc/70/82/90/553708290.db2.gz	BIBHBUFTXLTXGV-BIXRTOBSSA-N	0	1	539.789	8.349	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000021487005	553710179	/nfs/dbraw/zinc/71/01/79/553710179.db2.gz	CTEZODNOAZTCFO-MUUNZHRXSA-N	0	1	514.622	5.716	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000021487005	553710180	/nfs/dbraw/zinc/71/01/80/553710180.db2.gz	CTEZODNOAZTCFO-MUUNZHRXSA-N	0	1	514.622	5.716	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939620	553759975	/nfs/dbraw/zinc/75/99/75/553759975.db2.gz	BPUAFEQTSKMMFP-UZTOHYMASA-N	0	1	560.628	5.866	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939691	553760443	/nfs/dbraw/zinc/76/04/43/553760443.db2.gz	MEJWMKDYRGRMQG-FYSMJZIKSA-N	0	1	558.678	5.419	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097940009	553763349	/nfs/dbraw/zinc/76/33/49/553763349.db2.gz	NDCFZRYTJPPKGU-HMILPKGGSA-N	0	1	590.654	5.744	50	30		KKEAMN
Cc1cc(C)n(-c2nc(N=NCc3cc(Cl)cc(Br)c3O)nc(Nc3ccc(C)cc3)n2)n1	ZINC000097945458	553772391	/nfs/dbraw/zinc/77/23/91/553772391.db2.gz	OMCMZKAGSHWPPL-OPEKNORGSA-N	0	1	527.814	5.294	50	30		KKEAMN
O=C(c1cccs1)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccccc1Cl	ZINC000097945472	553772440	/nfs/dbraw/zinc/77/24/40/553772440.db2.gz	DXXCNCQXSWPXML-ADXZGYQBSA-N	0	1	529.036	7.755	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000024334100	553790500	/nfs/dbraw/zinc/79/05/00/553790500.db2.gz	RRJMXPFBWBFDDW-HHHXNRCGSA-N	0	1	500.595	5.326	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@@H]3c3ccccc3Cl)C2)cc1	ZINC000097948405	553793565	/nfs/dbraw/zinc/79/35/65/553793565.db2.gz	FKDDPJNBUHNRRE-GHRAFVERSA-N	0	1	567.154	8.913	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000097948768	553796545	/nfs/dbraw/zinc/79/65/45/553796545.db2.gz	XHJQJUASFJJLER-GTJUCTONSA-N	0	1	602.684	6.049	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CSc2nc4ccccc4s2)[C@@H]3c2cccs2)cc1	ZINC000097948878	553797412	/nfs/dbraw/zinc/79/74/12/553797412.db2.gz	GSRZBVWUZNNIHW-XFSFLGPDSA-N	0	1	609.798	8.059	50	30		KKEAMN
CCc1ccc2oc(-c3cccc(/N=C/c4cc(I)cc(I)c4O)c3)nc2c1	ZINC000097950068	553803415	/nfs/dbraw/zinc/80/34/15/553803415.db2.gz	PMTNYDXCOWIBBN-BRJLIKDPSA-N	0	1	594.190	6.723	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000097951434	553809057	/nfs/dbraw/zinc/80/90/57/553809057.db2.gz	DKERBHNWQHEKHH-GPNASLBKSA-N	0	1	536.672	7.081	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC	ZINC000097951496	553809362	/nfs/dbraw/zinc/80/93/62/553809362.db2.gz	HDNDIWJYHUFFHP-QFIPXVFZSA-N	0	1	528.439	5.414	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C	ZINC000097951592	553809935	/nfs/dbraw/zinc/80/99/35/553809935.db2.gz	IYPACDDHHOXXFX-HKBQPEDESA-N	0	1	548.639	6.996	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1	ZINC000097951676	553810495	/nfs/dbraw/zinc/81/04/95/553810495.db2.gz	WQQFUUGCAOKPIB-FQEVSTJZSA-N	0	1	536.731	6.904	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1	ZINC000097951663	553810559	/nfs/dbraw/zinc/81/05/59/553810559.db2.gz	YIPWDQUEDFNTAE-PMERELPUSA-N	0	1	538.172	9.400	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000097951798	553811454	/nfs/dbraw/zinc/81/14/54/553811454.db2.gz	KUXLOLRLRNEDQJ-JOCHJYFZSA-N	0	1	522.604	5.557	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3ccc(F)cc3)cc2)c1	ZINC000097952211	553813862	/nfs/dbraw/zinc/81/38/62/553813862.db2.gz	GXLHTYLBMXMZKJ-GDLZYMKVSA-N	0	1	544.623	5.014	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000097952234	553814188	/nfs/dbraw/zinc/81/41/88/553814188.db2.gz	JDNKZCCRVKGQNO-XMMPIXPASA-N	0	1	542.573	5.425	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000097952483	553816092	/nfs/dbraw/zinc/81/60/92/553816092.db2.gz	MSESIILBIKYWGF-JOCHJYFZSA-N	0	1	519.966	6.203	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1	ZINC000097952502	553816319	/nfs/dbraw/zinc/81/63/19/553816319.db2.gz	USEILUSSWJNWNG-GDLZYMKVSA-N	0	1	548.595	5.534	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1	ZINC000097953068	553819158	/nfs/dbraw/zinc/81/91/58/553819158.db2.gz	UZRRGJZZAMTZHA-WJOKGBTCSA-N	0	1	535.744	9.194	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000097954015	553820662	/nfs/dbraw/zinc/82/06/62/553820662.db2.gz	WMDAWCCLWSZCIF-AFJIDDCJSA-N	0	1	542.632	5.761	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccs3)sc2c1	ZINC000097954032	553820889	/nfs/dbraw/zinc/82/08/89/553820889.db2.gz	XJXDNXBSXVXVHM-JOCHJYFZSA-N	0	1	520.588	5.311	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000026841432	553821577	/nfs/dbraw/zinc/82/15/77/553821577.db2.gz	WRRKPSFUKFCCLC-NDEPHWFRSA-N	0	1	512.606	5.492	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000097954165	553821615	/nfs/dbraw/zinc/82/16/15/553821615.db2.gz	CMQBZDACFWOFTQ-URAOTHONSA-N	0	1	541.644	6.366	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000097954671	553824732	/nfs/dbraw/zinc/82/47/32/553824732.db2.gz	BNHCWUMBPCBROZ-ACSYHNTCSA-N	0	1	545.632	6.205	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097955059	553827821	/nfs/dbraw/zinc/82/78/21/553827821.db2.gz	COHFWDCMQFYUEK-ZAMGYDSWSA-N	0	1	537.424	6.709	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C	ZINC000097955047	553827971	/nfs/dbraw/zinc/82/79/71/553827971.db2.gz	SYPFXUZTYMJRLX-AREMUKBSSA-N	0	1	600.649	5.623	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000097955142	553829016	/nfs/dbraw/zinc/82/90/16/553829016.db2.gz	QUUDKXHWTWMLFU-YEJXKQKISA-N	0	1	539.009	5.388	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1	ZINC000097955214	553829875	/nfs/dbraw/zinc/82/98/75/553829875.db2.gz	VQDGUISJXRILPG-SSEXGKCCSA-N	0	1	641.101	7.091	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097955249	553830391	/nfs/dbraw/zinc/83/03/91/553830391.db2.gz	FVPXETVHVVYOPQ-JPQMRUPTSA-N	0	1	569.698	6.799	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(O)cc2)s1	ZINC000027529799	553831636	/nfs/dbraw/zinc/83/16/36/553831636.db2.gz	SRKMRNJDRDZIAM-XMMPIXPASA-N	0	1	513.575	5.222	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C	ZINC000097955589	553831683	/nfs/dbraw/zinc/83/16/83/553831683.db2.gz	QQCDUDFYYCPZCB-RUZDIDTESA-N	0	1	606.653	5.146	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000097955575	553831693	/nfs/dbraw/zinc/83/16/93/553831693.db2.gz	BCXKJKDPMIIDIU-BZQUYTCOSA-N	0	1	547.032	6.455	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1	ZINC000097955607	553832031	/nfs/dbraw/zinc/83/20/31/553832031.db2.gz	CQVJWPJZRJXPRD-ZLOXQWCVSA-N	0	1	531.521	5.450	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000097955610	553832075	/nfs/dbraw/zinc/83/20/75/553832075.db2.gz	RMWCCLOOBRJDTN-ONOMSOESSA-N	0	1	535.600	5.667	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000097956839	553842684	/nfs/dbraw/zinc/84/26/84/553842684.db2.gz	ZGSFMKKPYNXSGJ-SANMLTNESA-N	0	1	584.650	6.520	50	30		KKEAMN
CCCCCCCCOc1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)cc1	ZINC000097959781	553866180	/nfs/dbraw/zinc/86/61/80/553866180.db2.gz	CKOGNWQLTXOYOY-GMSPJADCSA-N	0	1	519.683	6.905	50	30		KKEAMN
CCOc1cc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1	ZINC000097960012	553867748	/nfs/dbraw/zinc/86/77/48/553867748.db2.gz	CAAFGINEZZDPEP-PGUFJCEWSA-N	0	1	638.233	9.331	50	30		KKEAMN
Cn1c2ccccc2nc1NN=Cc1cc(Cc2ccccc2)cc(C=NN=c2[nH]c3ccccc3n2C)c1O	ZINC000097960397	553871285	/nfs/dbraw/zinc/87/12/85/553871285.db2.gz	VDOVCVFBGAKBNB-CRDPYYQKSA-N	0	1	528.620	5.648	50	30		KKEAMN
C=CCOc1c(Br)cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OCC	ZINC000097960967	553874777	/nfs/dbraw/zinc/87/47/77/553874777.db2.gz	NPIISLQDODGFIM-YBEGLDIGSA-N	0	1	521.820	5.738	50	30		KKEAMN
Oc1c(I)cc(Br)cc1/C=N/CC/N=C/c1cc(Br)cc(I)c1O	ZINC000097960962	553874790	/nfs/dbraw/zinc/87/47/90/553874790.db2.gz	XDWLHAOOMICNGG-KVJLFNRQSA-N	0	1	677.900	5.370	50	30		KKEAMN
C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)c1	ZINC000032969152	553882972	/nfs/dbraw/zinc/88/29/72/553882972.db2.gz	TYPXMHPYLJAKBQ-LJAQVGFWSA-N	0	1	533.694	5.034	50	30		KKEAMN
O=C(CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2s1)Nc1ccc2c(c1)oc1ccccc12	ZINC000097964877	553901277	/nfs/dbraw/zinc/90/12/77/553901277.db2.gz	JYODBTMERIKLBI-IURWMYGYSA-N	0	1	667.404	8.908	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(Br)c1	ZINC000097966758	553909865	/nfs/dbraw/zinc/90/98/65/553909865.db2.gz	FTDSEHLINFWSNI-AREMUKBSSA-N	0	1	549.465	5.476	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(Br)c1	ZINC000097966758	553909870	/nfs/dbraw/zinc/90/98/70/553909870.db2.gz	FTDSEHLINFWSNI-AREMUKBSSA-N	0	1	549.465	5.476	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1C	ZINC000097966741	553909915	/nfs/dbraw/zinc/90/99/15/553909915.db2.gz	ZSGRRMLUMLRIKX-SANMLTNESA-N	0	1	571.512	5.237	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000097966853	553911262	/nfs/dbraw/zinc/91/12/62/553911262.db2.gz	LIARQLWRTYMKDD-WJOKGBTCSA-N	0	1	564.638	6.155	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000097966886	553911456	/nfs/dbraw/zinc/91/14/56/553911456.db2.gz	NMZIUOXAAOTMEZ-JOCHJYFZSA-N	0	1	555.052	6.160	50	30		KKEAMN
CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000097966899	553911553	/nfs/dbraw/zinc/91/15/53/553911553.db2.gz	MVUTZBKMDTYKOT-WJOKGBTCSA-N	0	1	554.687	5.437	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000097966906	553911976	/nfs/dbraw/zinc/91/19/76/553911976.db2.gz	VVXUMKIXITZERC-JGCGQSQUSA-N	0	1	563.650	6.981	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000097966941	553912219	/nfs/dbraw/zinc/91/22/19/553912219.db2.gz	IGXSYVDZQNPKES-PMERELPUSA-N	0	1	550.611	5.765	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)ccc1OCc1ccccc1	ZINC000097967129	553913951	/nfs/dbraw/zinc/91/39/51/553913951.db2.gz	QRDQJLOFRORMRH-DFXYEROKSA-N	0	1	557.643	5.603	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000097967193	553914749	/nfs/dbraw/zinc/91/47/49/553914749.db2.gz	AIOOEXAQUWPODR-MHZLTWQESA-N	0	1	598.652	6.604	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097967263	553915806	/nfs/dbraw/zinc/91/58/06/553915806.db2.gz	UCUBHESGQFBZIC-MRDQGFSESA-N	0	1	620.152	6.989	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000097967280	553916128	/nfs/dbraw/zinc/91/61/28/553916128.db2.gz	DZQMKVZQHDQYQY-IVCQMTBJSA-N	0	1	589.670	6.084	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097967300	553916819	/nfs/dbraw/zinc/91/68/19/553916819.db2.gz	PATINVOWOKZNQQ-SONOPUAISA-N	0	1	678.232	7.778	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000097967352	553917207	/nfs/dbraw/zinc/91/72/07/553917207.db2.gz	QLFOLMPTJOGJJF-GDLZYMKVSA-N	0	1	611.075	7.083	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000097967354	553917292	/nfs/dbraw/zinc/91/72/92/553917292.db2.gz	UDSGTUDCCRWRIG-HSZRJFAPSA-N	0	1	553.423	6.466	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C	ZINC000097967342	553917313	/nfs/dbraw/zinc/91/73/13/553917313.db2.gz	NILAEUQPCJKQOY-GDLZYMKVSA-N	0	1	656.713	6.160	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCCCC)c2)nc1C	ZINC000097967421	553918148	/nfs/dbraw/zinc/91/81/48/553918148.db2.gz	HIXXGNBIZKZUEG-SANMLTNESA-N	0	1	604.681	5.917	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097967605	553920543	/nfs/dbraw/zinc/92/05/43/553920543.db2.gz	YFLJRCRWEHLJFX-WRONEBCDSA-N	0	1	645.778	7.501	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C	ZINC000097967616	553921130	/nfs/dbraw/zinc/92/11/30/553921130.db2.gz	MSGYGRNGFPCIAK-QKVFXAPYSA-N	0	1	629.485	5.211	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C	ZINC000097967684	553921794	/nfs/dbraw/zinc/92/17/94/553921794.db2.gz	WSXWKYRSCBLMHF-JPQMRUPTSA-N	0	1	685.868	8.069	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000097967727	553922337	/nfs/dbraw/zinc/92/23/37/553922337.db2.gz	QTFJONJPXTTYEU-WJOKGBTCSA-N	0	1	571.670	6.102	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000097967757	553922864	/nfs/dbraw/zinc/92/28/64/553922864.db2.gz	PBIQVNCYQYZJOX-VWLOTQADSA-N	0	1	563.031	6.293	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097967792	553923007	/nfs/dbraw/zinc/92/30/07/553923007.db2.gz	JVOMOFAFLLPYSH-UGDMGKLASA-N	0	1	671.841	7.904	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097967791	553923178	/nfs/dbraw/zinc/92/31/78/553923178.db2.gz	JVOMOFAFLLPYSH-WKRVVKTRSA-N	0	1	671.841	7.904	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000097967806	553923582	/nfs/dbraw/zinc/92/35/82/553923582.db2.gz	XMVWXBCFYBTIFF-WENCNXQZSA-N	0	1	675.804	7.653	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C	ZINC000097967862	553924624	/nfs/dbraw/zinc/92/46/24/553924624.db2.gz	YZHRGZGIQPSKNI-PMERELPUSA-N	0	1	691.803	7.347	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097967906	553924898	/nfs/dbraw/zinc/92/48/98/553924898.db2.gz	OPKIBQHXQNMZKE-YTTGMZPUSA-N	0	1	679.820	8.107	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097967949	553925248	/nfs/dbraw/zinc/92/52/48/553925248.db2.gz	NWYSLUFFCOPBBL-MUUNZHRXSA-N	0	1	664.205	7.463	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097967950	553925283	/nfs/dbraw/zinc/92/52/83/553925283.db2.gz	NWYSLUFFCOPBBL-NDEPHWFRSA-N	0	1	664.205	7.463	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000097967967	553925839	/nfs/dbraw/zinc/92/58/39/553925839.db2.gz	SRQXLHYNTGSNKG-HSZRJFAPSA-N	0	1	630.506	6.830	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097968038	553926572	/nfs/dbraw/zinc/92/65/72/553926572.db2.gz	RAHJEOYXSZVSFP-GDLZYMKVSA-N	0	1	637.739	6.936	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000097968064	553927044	/nfs/dbraw/zinc/92/70/44/553927044.db2.gz	WSOFNDMMPXWPNK-MUUNZHRXSA-N	0	1	663.749	6.711	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097968077	553927351	/nfs/dbraw/zinc/92/73/51/553927351.db2.gz	SITBMWRFEJMDPY-VWLOTQADSA-N	0	1	587.679	5.783	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097968099	553927407	/nfs/dbraw/zinc/92/74/07/553927407.db2.gz	WCKCFJPYWAXQSA-MHZLTWQESA-N	0	1	649.722	6.321	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(O)c3)ccc2O1	ZINC000097968139	553928274	/nfs/dbraw/zinc/92/82/74/553928274.db2.gz	MYZDVXFCBJTFIY-OWJWWREXSA-N	0	1	592.098	6.296	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000097968143	553928534	/nfs/dbraw/zinc/92/85/34/553928534.db2.gz	QXALVKORBUJUGA-NDEPHWFRSA-N	0	1	623.712	6.546	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097968189	553928821	/nfs/dbraw/zinc/92/88/21/553928821.db2.gz	YCVIAAHSRVAXCP-PMERELPUSA-N	0	1	649.750	7.103	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000097968176	553928847	/nfs/dbraw/zinc/92/88/47/553928847.db2.gz	PALBKIODDRLUFE-GDLZYMKVSA-N	0	1	677.776	7.101	50	30		KKEAMN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000097968212	553929097	/nfs/dbraw/zinc/92/90/97/553929097.db2.gz	CFUDIWOSKMSBIH-AREMUKBSSA-N	0	1	585.707	6.508	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097968225	553929162	/nfs/dbraw/zinc/92/91/62/553929162.db2.gz	GIRPCHSRKHFDSK-NDEPHWFRSA-N	0	1	664.205	7.607	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000097968283	553930109	/nfs/dbraw/zinc/93/01/09/553930109.db2.gz	WQNJPEWXKMWWDO-SSEXGKCCSA-N	0	1	742.703	8.659	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1	ZINC000097968296	553930340	/nfs/dbraw/zinc/93/03/40/553930340.db2.gz	HOMBDEWZRFVSKE-RUZDIDTESA-N	0	1	555.612	5.303	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C	ZINC000097968311	553930399	/nfs/dbraw/zinc/93/03/99/553930399.db2.gz	HNFBGTWVXXVGME-MHZLTWQESA-N	0	1	582.634	5.787	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1	ZINC000097968295	553930405	/nfs/dbraw/zinc/93/04/05/553930405.db2.gz	HOMBDEWZRFVSKE-VWLOTQADSA-N	0	1	555.612	5.303	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(O)c3)ccc2O1	ZINC000097968351	553930748	/nfs/dbraw/zinc/93/07/48/553930748.db2.gz	PCNKJAZIVDQLJD-MYYSRTQBSA-N	0	1	575.643	5.781	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@@H]3c2ccc(F)cc2)cc1	ZINC000033354700	553930833	/nfs/dbraw/zinc/93/08/33/553930833.db2.gz	CJVQAHSAWKYOOD-JPQMRUPTSA-N	0	1	553.033	7.702	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097968337	553930873	/nfs/dbraw/zinc/93/08/73/553930873.db2.gz	SNGGSHYCESCDAU-JBEBIEQOSA-N	0	1	644.989	7.897	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O	ZINC000097968419	553932384	/nfs/dbraw/zinc/93/23/84/553932384.db2.gz	KOIGESPLGCVLLV-MYODQAERSA-N	0	1	611.445	6.018	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O	ZINC000097968421	553932423	/nfs/dbraw/zinc/93/24/23/553932423.db2.gz	KOIGESPLGCVLLV-DAOPMYJZSA-N	0	1	611.445	6.018	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000097969159	553937543	/nfs/dbraw/zinc/93/75/43/553937543.db2.gz	VHZWXNNUDXQQAB-JBEBIEQOSA-N	0	1	551.451	7.018	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097969201	553937712	/nfs/dbraw/zinc/93/77/12/553937712.db2.gz	WHALWRZCWJRFPQ-WKRVVKTRSA-N	0	1	647.778	7.516	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C	ZINC000097969196	553937787	/nfs/dbraw/zinc/93/77/87/553937787.db2.gz	NHCBURMNTGGNEM-JOCHJYFZSA-N	0	1	555.052	6.162	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097969245	553938388	/nfs/dbraw/zinc/93/83/88/553938388.db2.gz	SBZJIAGMQCPIMT-VKGTZQKMSA-N	0	1	631.751	7.255	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097969282	553939336	/nfs/dbraw/zinc/93/93/36/553939336.db2.gz	ZSFREEOKHPESSI-MYUZEXMDSA-N	0	1	632.163	7.155	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000097969396	553940476	/nfs/dbraw/zinc/94/04/76/553940476.db2.gz	NXKOVFJGOJPYMD-HEIROHQZSA-N	0	1	569.698	6.655	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1)c1ccc(Br)cc1	ZINC000097969411	553940790	/nfs/dbraw/zinc/94/07/90/553940790.db2.gz	UOQWPEJTJZOHSP-FQEVSTJZSA-N	0	1	592.081	6.757	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000097969458	553941089	/nfs/dbraw/zinc/94/10/89/553941089.db2.gz	FKHCSWFQWHIKRL-MUUNZHRXSA-N	0	1	658.729	6.324	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000097969445	553941118	/nfs/dbraw/zinc/94/11/18/553941118.db2.gz	AKMIUCZCOXHYTQ-GDLZYMKVSA-N	0	1	565.626	5.226	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000097969565	553942305	/nfs/dbraw/zinc/94/23/05/553942305.db2.gz	MAQLHTIFTSMANG-HSZRJFAPSA-N	0	1	569.422	6.166	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000097969643	553943429	/nfs/dbraw/zinc/94/34/29/553943429.db2.gz	CRORFPPRSJEMGY-ONOMSOESSA-N	0	1	559.663	5.453	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000097969644	553943513	/nfs/dbraw/zinc/94/35/13/553943513.db2.gz	CRORFPPRSJEMGY-PBBNMVCDSA-N	0	1	559.663	5.453	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1	ZINC000097969712	553943768	/nfs/dbraw/zinc/94/37/68/553943768.db2.gz	OIBTWMBFKZFNCJ-HKBQPEDESA-N	0	1	636.682	6.447	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097969772	553944691	/nfs/dbraw/zinc/94/46/91/553944691.db2.gz	DISQCVSQOMEVOF-AFJIDDCJSA-N	0	1	641.771	6.900	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097969800	553945023	/nfs/dbraw/zinc/94/50/23/553945023.db2.gz	AMHBIEZHIKSDKD-WRGVRERRSA-N	0	1	675.804	7.653	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097969944	553947220	/nfs/dbraw/zinc/94/72/20/553947220.db2.gz	GJLYXBKYSWQUFO-WINIVTDRSA-N	0	1	599.734	6.726	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1	ZINC000097969981	553947819	/nfs/dbraw/zinc/94/78/19/553947819.db2.gz	RCOBNQPAPRVFCU-GDLZYMKVSA-N	0	1	616.692	6.293	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097970011	553948122	/nfs/dbraw/zinc/94/81/22/553948122.db2.gz	XCXVNGFHBWUOPR-IIMAJNMQSA-N	0	1	655.798	7.209	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000097970033	553948750	/nfs/dbraw/zinc/94/87/50/553948750.db2.gz	CQFNRBHTFXLVBR-SLQAJWMNSA-N	0	1	621.740	7.099	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1	ZINC000097970080	553948984	/nfs/dbraw/zinc/94/89/84/553948984.db2.gz	OXCFVOUTCVJJQP-HKBQPEDESA-N	0	1	568.198	9.408	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1	ZINC000097970079	553949063	/nfs/dbraw/zinc/94/90/63/553949063.db2.gz	OXCFVOUTCVJJQP-WJOKGBTCSA-N	0	1	568.198	9.408	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1	ZINC000097970098	553949586	/nfs/dbraw/zinc/94/95/86/553949586.db2.gz	RHAHLGYFQJIMPY-ZWVRTZEQSA-N	0	1	705.858	8.223	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097970116	553949953	/nfs/dbraw/zinc/94/99/53/553949953.db2.gz	XTZZZZDKMWQPDM-CLYVBNDRSA-N	0	1	617.724	6.865	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097970125	553950077	/nfs/dbraw/zinc/95/00/77/553950077.db2.gz	DEDRDSFMKAOMOW-WINIVTDRSA-N	0	1	599.734	6.644	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097970165	553950416	/nfs/dbraw/zinc/95/04/16/553950416.db2.gz	YISZKSHSNAKION-SLQAJWMNSA-N	0	1	661.777	7.263	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097970216	553951113	/nfs/dbraw/zinc/95/11/13/553951113.db2.gz	XDUHDAMLSZHPOU-ADXZGYQBSA-N	0	1	696.678	8.813	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097970299	553951946	/nfs/dbraw/zinc/95/19/46/553951946.db2.gz	SLPZXFOCVZWNEF-OLILMLBXSA-N	0	1	645.778	7.501	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000097970280	553952004	/nfs/dbraw/zinc/95/20/04/553952004.db2.gz	YLDPHRORZTYZJW-IVCQMTBJSA-N	0	1	606.125	6.599	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1	ZINC000097970276	553952084	/nfs/dbraw/zinc/95/20/84/553952084.db2.gz	MTYVHPYZCRALDK-DEOSSOPVSA-N	0	1	578.643	5.361	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097970362	553952904	/nfs/dbraw/zinc/95/29/04/553952904.db2.gz	YBMLNDVEDOUVEM-CLYVBNDRSA-N	0	1	615.708	6.641	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC	ZINC000097970422	553953750	/nfs/dbraw/zinc/95/37/50/553953750.db2.gz	FBPLCFWUZIQWGS-SXBQZSJRSA-N	0	1	593.057	6.082	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097970446	553954066	/nfs/dbraw/zinc/95/40/66/553954066.db2.gz	KBNPZYBIQRYOMH-JPQMRUPTSA-N	0	1	685.868	8.213	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097970452	553954113	/nfs/dbraw/zinc/95/41/13/553954113.db2.gz	ZBRAWKBUSFEZJG-GHRAFVERSA-N	0	1	663.821	8.269	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000097970487	553954501	/nfs/dbraw/zinc/95/45/01/553954501.db2.gz	ZYZUKXDVCOAGCO-NDEPHWFRSA-N	0	1	628.703	6.316	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097970483	553954646	/nfs/dbraw/zinc/95/46/46/553954646.db2.gz	VVDLXOGUDOGWEI-BGOLNKOXSA-N	0	1	647.778	7.655	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000097970504	553954924	/nfs/dbraw/zinc/95/49/24/553954924.db2.gz	WICDEVOXFPZIPD-PUAOIOHZSA-N	0	1	634.135	6.377	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000097970491	553955166	/nfs/dbraw/zinc/95/51/66/553955166.db2.gz	MCUHKIKQXSIJSQ-NBLPZQPVSA-N	0	1	693.847	8.277	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000097970659	553957165	/nfs/dbraw/zinc/95/71/65/553957165.db2.gz	MLYLDZZQDADUFG-SSEXGKCCSA-N	0	1	550.611	5.765	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OC	ZINC000097970700	553957506	/nfs/dbraw/zinc/95/75/06/553957506.db2.gz	WZKVPONGTKWLDM-LGGPFLRQSA-N	0	1	559.663	5.453	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(Br)c1	ZINC000097970958	553959910	/nfs/dbraw/zinc/95/99/10/553959910.db2.gz	JDZJEOAVSIVZTH-MUUNZHRXSA-N	0	1	591.502	5.247	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc(Br)c1O	ZINC000097970985	553960193	/nfs/dbraw/zinc/96/01/93/553960193.db2.gz	SHOFXJQHOOYZOW-IVCQMTBJSA-N	0	1	564.432	5.308	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(C)cc1	ZINC000097971025	553960623	/nfs/dbraw/zinc/96/06/23/553960623.db2.gz	MYPKPAOOFVQHJY-WJOKGBTCSA-N	0	1	596.650	9.817	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1	ZINC000097999745	554045665	/nfs/dbraw/zinc/04/56/65/554045665.db2.gz	KVFGNMQCZMIODP-BYUPDSDESA-N	0	1	649.187	8.637	50	30		KKEAMN
CCOc1ccc(CCNC(=O)C(C#N)c2nc3ccccc3nc2N2CCC(Cc3ccccc3)CC2)cc1OCC	ZINC000098000266	554049496	/nfs/dbraw/zinc/04/94/96/554049496.db2.gz	VSLRRTSWGWZTCD-MUUNZHRXSA-N	0	1	577.729	5.852	50	30		KKEAMN
CCOc1ccc(CCNC(=O)C(C#N)c2nc3ccccc3nc2N2CCC(Cc3ccccc3)CC2)cc1OCC	ZINC000098000265	554049614	/nfs/dbraw/zinc/04/96/14/554049614.db2.gz	VSLRRTSWGWZTCD-NDEPHWFRSA-N	0	1	577.729	5.852	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1	ZINC000098003652	554055645	/nfs/dbraw/zinc/05/56/45/554055645.db2.gz	DIGWGDPLQSYITM-SXZDHJFLSA-N	0	1	627.568	8.892	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000098003670	554055934	/nfs/dbraw/zinc/05/59/34/554055934.db2.gz	KVLDDYINIVMPGU-NLGDKJDOSA-N	0	1	548.683	7.081	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccco4)CC(=O)C3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000098003693	554055946	/nfs/dbraw/zinc/05/59/46/554055946.db2.gz	NEQHEVFVTKQCLB-KGMZSHBCSA-N	0	1	640.689	6.546	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]3c2cccs2)cc1	ZINC000098042804	554122379	/nfs/dbraw/zinc/12/23/79/554122379.db2.gz	XOIXFHGRDIXCQX-PRAQEBQASA-N	0	1	575.517	8.278	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C	ZINC000098043589	554128286	/nfs/dbraw/zinc/12/82/86/554128286.db2.gz	FPQCRAONMSYTCR-OAQYLSRUSA-N	0	1	541.025	5.772	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccc(C)cc4)C3)[C@@H]2c2cccc(Br)c2)cc(OC)c1OC	ZINC000098045241	554131242	/nfs/dbraw/zinc/13/12/42/554131242.db2.gz	MVQGIUXJCBTBCJ-ZWVRTZEQSA-N	0	1	653.573	7.998	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000098045520	554132108	/nfs/dbraw/zinc/13/21/08/554132108.db2.gz	VUUKKIBGXQADFA-CGDLVVIGSA-N	0	1	620.702	6.944	50	30		KKEAMN
O=C(c1ccc(Cl)cc1)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000098045529	554132195	/nfs/dbraw/zinc/13/21/95/554132195.db2.gz	YBNBMNSKFYNOGI-WKRVVKTRSA-N	0	1	568.004	7.602	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCC)cc2)cc1C	ZINC000098046314	554137605	/nfs/dbraw/zinc/13/76/05/554137605.db2.gz	OHRIIWWCPMGOKN-RUZDIDTESA-N	0	1	576.671	6.073	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000098046309	554137618	/nfs/dbraw/zinc/13/76/18/554137618.db2.gz	KNUUPTHSUMEBOE-DEOSSOPVSA-N	0	1	578.643	5.302	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(Br)c2)cc1	ZINC000098046457	554139474	/nfs/dbraw/zinc/13/94/74/554139474.db2.gz	UOWCWSBBVQFKHP-VWLOTQADSA-N	0	1	636.593	7.555	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F	ZINC000098046496	554139805	/nfs/dbraw/zinc/13/98/05/554139805.db2.gz	LGRCGNCESCMUBJ-SSEXGKCCSA-N	0	1	687.746	7.488	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F	ZINC000098046504	554139871	/nfs/dbraw/zinc/13/98/71/554139871.db2.gz	HZFSFDZQUCUYMY-SSEXGKCCSA-N	0	1	704.201	8.002	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000098046542	554140341	/nfs/dbraw/zinc/14/03/41/554140341.db2.gz	PXWMTOTTXILKTE-SANMLTNESA-N	0	1	599.665	7.063	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccco2)cc(Br)c1O	ZINC000098046588	554141171	/nfs/dbraw/zinc/14/11/71/554141171.db2.gz	JEVKWNXPRIJJAZ-NRFANRHFSA-N	0	1	524.323	5.281	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000098046615	554141647	/nfs/dbraw/zinc/14/16/47/554141647.db2.gz	YABPZOCMJCSTOO-SANMLTNESA-N	0	1	577.058	6.683	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000098046663	554142004	/nfs/dbraw/zinc/14/20/04/554142004.db2.gz	IBTRNCISXPXAAR-JOCHJYFZSA-N	0	1	565.604	5.498	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C	ZINC000098046711	554142828	/nfs/dbraw/zinc/14/28/28/554142828.db2.gz	ZUHLMDJZLXHAIJ-HSZRJFAPSA-N	0	1	577.615	5.664	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccnc2)cc1	ZINC000098046843	554144205	/nfs/dbraw/zinc/14/42/05/554144205.db2.gz	JNJGKKUAOLJZJA-NRFANRHFSA-N	0	1	535.050	5.970	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccncc2)cc1	ZINC000098046847	554144408	/nfs/dbraw/zinc/14/44/08/554144408.db2.gz	RLOJSPMVQAEEHP-NRFANRHFSA-N	0	1	551.049	5.670	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F	ZINC000098047251	554148301	/nfs/dbraw/zinc/14/83/01/554148301.db2.gz	JHTXQQZOFZFUEC-WJOKGBTCSA-N	0	1	683.783	7.657	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000098047282	554148783	/nfs/dbraw/zinc/14/87/83/554148783.db2.gz	HZFCUJSVENRMJK-VWLOTQADSA-N	0	1	564.660	5.879	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(O)c(OC)c2)cc1F	ZINC000098047271	554148837	/nfs/dbraw/zinc/14/88/37/554148837.db2.gz	QXUUWWKNXFRSSJ-HHHXNRCGSA-N	0	1	629.691	6.628	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000098047313	554149354	/nfs/dbraw/zinc/14/93/54/554149354.db2.gz	VJHPIFPIJNCIFI-MUUNZHRXSA-N	0	1	643.693	7.692	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000098047338	554149596	/nfs/dbraw/zinc/14/95/96/554149596.db2.gz	KZMRSDCEVWILKG-AREMUKBSSA-N	0	1	605.713	6.940	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccnc2)cc1	ZINC000098047353	554149607	/nfs/dbraw/zinc/14/96/07/554149607.db2.gz	IJSQLJCXPXHECP-DEOSSOPVSA-N	0	1	593.130	6.841	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccccc2)cc1	ZINC000098047359	554149666	/nfs/dbraw/zinc/14/96/66/554149666.db2.gz	UNYOAPIRAMTDHG-VWLOTQADSA-N	0	1	592.142	7.446	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000098047373	554150021	/nfs/dbraw/zinc/15/00/21/554150021.db2.gz	YMIDIKFVPBSSHO-SANMLTNESA-N	0	1	587.723	6.801	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000098047378	554150120	/nfs/dbraw/zinc/15/01/20/554150120.db2.gz	HWZZRCJBABNDPG-RUZDIDTESA-N	0	1	592.142	7.446	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc(C)c(F)c4)[C@@H]3c3cccc(Oc4ccccc4)c3)s2)cc1	ZINC000098047397	554150414	/nfs/dbraw/zinc/15/04/14/554150414.db2.gz	SYMIRQCZWJODRL-LJAQVGFWSA-N	0	1	623.731	8.162	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCCCC)cc2)cc1	ZINC000098047403	554150506	/nfs/dbraw/zinc/15/05/06/554150506.db2.gz	XYXNWFPIHXBMIR-LJAQVGFWSA-N	0	1	664.249	8.625	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1	ZINC000098047406	554150540	/nfs/dbraw/zinc/15/05/40/554150540.db2.gz	KZTSRKMUBCXLGF-MUUNZHRXSA-N	0	1	620.768	7.405	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1	ZINC000098047412	554150625	/nfs/dbraw/zinc/15/06/25/554150625.db2.gz	DUGGPUPFOLCMKR-GDLZYMKVSA-N	0	1	629.804	7.971	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCCC)cc2)cc1	ZINC000098047430	554150927	/nfs/dbraw/zinc/15/09/27/554150927.db2.gz	ZLQVHAHMZLYPMJ-MUUNZHRXSA-N	0	1	633.767	7.720	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC	ZINC000098047448	554150934	/nfs/dbraw/zinc/15/09/34/554150934.db2.gz	ALUXRDYSFCUACS-GDLZYMKVSA-N	0	1	661.777	7.505	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCCCC)cc2)cc1	ZINC000098047429	554151010	/nfs/dbraw/zinc/15/10/10/554151010.db2.gz	JPOVYJNPCMYYQF-LJAQVGFWSA-N	0	1	664.249	8.625	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCCC)cc2)cc1	ZINC000098047474	554151258	/nfs/dbraw/zinc/15/12/58/554151258.db2.gz	BAMNMIUTGUADNP-MUUNZHRXSA-N	0	1	615.777	7.581	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC	ZINC000098047468	554151305	/nfs/dbraw/zinc/15/13/05/554151305.db2.gz	YOFGOYSQKJAROG-GDLZYMKVSA-N	0	1	643.787	7.366	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000098047456	554151396	/nfs/dbraw/zinc/15/13/96/554151396.db2.gz	UGNQMSBNDZAPBE-MGBGTMOVSA-N	0	1	677.848	8.680	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000098047484	554151892	/nfs/dbraw/zinc/15/18/92/554151892.db2.gz	CDJKJDVELALLOC-MHZLTWQESA-N	0	1	629.760	6.887	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000098047513	554152161	/nfs/dbraw/zinc/15/21/61/554152161.db2.gz	NKTLTJXPCKAQNQ-GDLZYMKVSA-N	0	1	650.794	7.558	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000098047535	554152198	/nfs/dbraw/zinc/15/21/98/554152198.db2.gz	ORLQDWFIOWNCGN-DEOSSOPVSA-N	0	1	630.550	7.766	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000098047582	554152940	/nfs/dbraw/zinc/15/29/40/554152940.db2.gz	OOCVJAYQRSCRNV-VWLOTQADSA-N	0	1	620.684	6.840	50	30		KKEAMN
CCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OC	ZINC000098047592	554153127	/nfs/dbraw/zinc/15/31/27/554153127.db2.gz	LGTOVGOCXKAFIY-HKBQPEDESA-N	0	1	678.848	8.194	50	30		KKEAMN
CCCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OC	ZINC000098047636	554153904	/nfs/dbraw/zinc/15/39/04/554153904.db2.gz	CSAOKGVDCGQIPS-XIFFEERXSA-N	0	1	719.901	9.289	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000098047646	554154012	/nfs/dbraw/zinc/15/40/12/554154012.db2.gz	LSLAHSNYEOXPAK-VWLOTQADSA-N	0	1	610.132	7.585	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000098047650	554154052	/nfs/dbraw/zinc/15/40/52/554154052.db2.gz	ADCVKBMEEPUXPY-VWLOTQADSA-N	0	1	610.132	7.585	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1Cl	ZINC000098047695	554154477	/nfs/dbraw/zinc/15/44/77/554154477.db2.gz	HRVBIXNPFPELPY-HHHXNRCGSA-N	0	1	535.040	5.458	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1Cl	ZINC000098047695	554154480	/nfs/dbraw/zinc/15/44/80/554154480.db2.gz	HRVBIXNPFPELPY-HHHXNRCGSA-N	0	1	535.040	5.458	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047703	554154804	/nfs/dbraw/zinc/15/48/04/554154804.db2.gz	YHBRZJQSXFARJF-MUUNZHRXSA-N	0	1	627.719	7.313	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1	ZINC000098047709	554154942	/nfs/dbraw/zinc/15/49/42/554154942.db2.gz	FTRJXKUAFXLTQQ-UUWRZZSWSA-N	0	1	703.817	8.802	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccccc2)cc1F	ZINC000098047701	554154974	/nfs/dbraw/zinc/15/49/74/554154974.db2.gz	MHEVBXWMPSTCPD-AREMUKBSSA-N	0	1	583.666	6.914	50	30		KKEAMN
Cc1ccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccc(Oc4ccccc4)c3)cc2)cc1	ZINC000098047756	554155536	/nfs/dbraw/zinc/15/55/36/554155536.db2.gz	MVDILWIHXYDEBW-UMSFTDKQSA-N	0	1	604.703	6.277	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000098047784	554155715	/nfs/dbraw/zinc/15/57/15/554155715.db2.gz	DTCGEQMUDBZVJF-LJAQVGFWSA-N	0	1	685.780	6.810	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(F)cc2)cc1OC	ZINC000098047772	554155808	/nfs/dbraw/zinc/15/58/08/554155808.db2.gz	IZININIDGFGRJG-MHZLTWQESA-N	0	1	613.692	6.923	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1OC	ZINC000098047810	554156276	/nfs/dbraw/zinc/15/62/76/554156276.db2.gz	SJGNNKGEGCXORP-UMSFTDKQSA-N	0	1	701.826	8.363	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(O)cc2)cc1OC	ZINC000098047803	554156319	/nfs/dbraw/zinc/15/63/19/554156319.db2.gz	LSGFQAXKPDRSOL-HHHXNRCGSA-N	0	1	611.701	6.489	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC	ZINC000098047791	554156347	/nfs/dbraw/zinc/15/63/47/554156347.db2.gz	HIUFHJBJEWPUJP-GDLZYMKVSA-N	0	1	655.754	6.801	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047806	554156425	/nfs/dbraw/zinc/15/64/25/554156425.db2.gz	KDZNUHCWUKDEBP-NDEPHWFRSA-N	0	1	625.728	6.792	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(Cl)c2)cc1F	ZINC000098047827	554156685	/nfs/dbraw/zinc/15/66/85/554156685.db2.gz	GGFWZYXPWXRQLR-AREMUKBSSA-N	0	1	602.112	7.867	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)ccc1O	ZINC000098048009	554158293	/nfs/dbraw/zinc/15/82/93/554158293.db2.gz	LTNXXMLMPMWVGJ-VWLOTQADSA-N	0	1	528.586	5.528	50	30		KKEAMN
CO[C@@H]1CC([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)=CCC1=O	ZINC000098047981	554158365	/nfs/dbraw/zinc/15/83/65/554158365.db2.gz	SNHNMELEUNXBRP-XLIONFOSSA-N	0	1	539.660	5.089	50	30		KKEAMN
CO[C@H]1CC([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)=CCC1=O	ZINC000098047982	554158376	/nfs/dbraw/zinc/15/83/76/554158376.db2.gz	SNHNMELEUNXBRP-PXNSSMCTSA-N	0	1	539.660	5.089	50	30		KKEAMN
COc1ccc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(OCCC(C)C)c3)nc2c1	ZINC000098047995	554158418	/nfs/dbraw/zinc/15/84/18/554158418.db2.gz	GKEGCXVKOPRTQW-XMMPIXPASA-N	0	1	534.659	6.574	50	30		KKEAMN
CCCCCCCCOc1ccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000098049872	554169789	/nfs/dbraw/zinc/16/97/89/554169789.db2.gz	JBXPMLAMRLXQDA-URLMMPGGSA-N	0	1	510.634	6.487	50	30		KKEAMN
[NH3+]Cc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)[O-])cc1	ZINC000098209595	554177058	/nfs/dbraw/zinc/17/70/58/554177058.db2.gz	JKMWZKPAXZBYEH-JWHWKPFMSA-N	0	1	583.739	6.741	50	30	in-vitro	KKEAMN
CCCC(=O)N1CCN(c2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2)CC1	ZINC000100056038	554196537	/nfs/dbraw/zinc/19/65/37/554196537.db2.gz	AICZWFKXGPHGOP-ZVHZXABRSA-N	0	1	509.242	5.117	50	30		KKEAMN
O=C1/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc2N1CN1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000100089357	554210328	/nfs/dbraw/zinc/21/03/28/554210328.db2.gz	OBRPWKIRXNWXSV-ONQIKCEGSA-N	0	1	554.616	6.538	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@@H]3c2cccnc2)cc1	ZINC000100112284	554222250	/nfs/dbraw/zinc/22/22/50/554222250.db2.gz	HPORFGFFQCQFIT-TYFUNZDFSA-N	0	1	553.706	7.993	50	30		KKEAMN
COc1cccc(/C=C2\Oc3c(c(C)cc([O-])c3C[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)c1OC	ZINC000041585268	554296457	/nfs/dbraw/zinc/29/64/57/554296457.db2.gz	OFTUSTYCIQQSJS-MYYYXRDXSA-N	0	1	521.013	5.310	50	30		KKEAMN
Cc1[nH]n(-c2ccc(OC(F)(F)F)cc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2	ZINC000043199871	554297708	/nfs/dbraw/zinc/29/77/08/554297708.db2.gz	XLEVMSDNWOWFNX-AREMUKBSSA-N	0	1	579.497	5.863	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000053290017	554331310	/nfs/dbraw/zinc/33/13/10/554331310.db2.gz	FEJVJPNJRHKFME-IBGZPJMESA-N	0	1	547.416	5.645	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1	ZINC000053290997	554331534	/nfs/dbraw/zinc/33/15/34/554331534.db2.gz	ZVUHCOKFHBCPEZ-HXUWFJFHSA-N	0	1	526.343	5.426	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000053291513	554332131	/nfs/dbraw/zinc/33/21/31/554332131.db2.gz	WGQSFFHCSZXSCR-JOCHJYFZSA-N	0	1	553.409	6.380	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000053305762	554332870	/nfs/dbraw/zinc/33/28/70/554332870.db2.gz	SYEDVJYNDJMTSC-NDEPHWFRSA-N	0	1	559.449	7.054	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000053305878	554332914	/nfs/dbraw/zinc/33/29/14/554332914.db2.gz	PSTBBKLTXWZSBA-JOCHJYFZSA-N	0	1	541.412	6.403	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000053306657	554334500	/nfs/dbraw/zinc/33/45/00/554334500.db2.gz	JENQNAUBTOCBKY-JOCHJYFZSA-N	0	1	553.409	6.380	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000053307225	554335104	/nfs/dbraw/zinc/33/51/04/554335104.db2.gz	UTRQWVNLSCHDMU-HXUWFJFHSA-N	0	1	561.443	6.035	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000053307433	554335114	/nfs/dbraw/zinc/33/51/14/554335114.db2.gz	GSSSLPAJOUZHEC-DEOSSOPVSA-N	0	1	551.020	6.149	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000053308167	554336042	/nfs/dbraw/zinc/33/60/42/554336042.db2.gz	OZFJBWPVRNXWCW-NRFANRHFSA-N	0	1	523.383	6.289	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000053319178	554336532	/nfs/dbraw/zinc/33/65/32/554336532.db2.gz	YEXXSOWRKGVPDB-OAQYLSRUSA-N	0	1	521.392	5.850	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1Cl	ZINC000053319337	554337305	/nfs/dbraw/zinc/33/73/05/554337305.db2.gz	AZKWSNWUUQBNSW-JOCHJYFZSA-N	0	1	527.802	5.675	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccccc1Cl	ZINC000053331884	554338652	/nfs/dbraw/zinc/33/86/52/554338652.db2.gz	MSXXPQZWGAEBAC-PBUKZNKTSA-N	0	1	555.162	9.118	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000053332772	554338916	/nfs/dbraw/zinc/33/89/16/554338916.db2.gz	KPMWPDPOWMIAOO-QFIPXVFZSA-N	0	1	553.865	7.058	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000053332969	554339372	/nfs/dbraw/zinc/33/93/72/554339372.db2.gz	HODWVFUUNOQMTF-VWLOTQADSA-N	0	1	572.595	5.036	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000053332909	554339566	/nfs/dbraw/zinc/33/95/66/554339566.db2.gz	TXDTVXIBWAPKEC-MYYSRTQBSA-N	0	1	577.634	6.215	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000053334815	554340222	/nfs/dbraw/zinc/34/02/22/554340222.db2.gz	RSEGNZCTDVBTEP-GKVSMKOHSA-N	0	1	571.680	5.945	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Br)cn3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000053335149	554340755	/nfs/dbraw/zinc/34/07/55/554340755.db2.gz	VQFLDCNUGUKLAJ-NRFANRHFSA-N	0	1	558.226	5.788	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000053336907	554341902	/nfs/dbraw/zinc/34/19/02/554341902.db2.gz	IOAKEVYSVCTVOI-FPTDNZKUSA-N	0	1	551.020	5.554	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000053337168	554342132	/nfs/dbraw/zinc/34/21/32/554342132.db2.gz	PLOGEIUYRZOVGW-QFIPXVFZSA-N	0	1	573.841	6.811	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000053337488	554342346	/nfs/dbraw/zinc/34/23/46/554342346.db2.gz	FQRBSHBCPRHLFH-DEOSSOPVSA-N	0	1	565.003	5.521	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000053339252	554343050	/nfs/dbraw/zinc/34/30/50/554343050.db2.gz	GIKRHMXIUYKMKJ-HHHXNRCGSA-N	0	1	591.085	7.073	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000053339163	554343229	/nfs/dbraw/zinc/34/32/29/554343229.db2.gz	IMQXVDFAEYSWIE-URNDWHGUSA-N	0	1	578.753	8.252	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000053339166	554343296	/nfs/dbraw/zinc/34/32/96/554343296.db2.gz	IMQXVDFAEYSWIE-JCVFDAPQSA-N	0	1	578.753	8.252	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000053340192	554343785	/nfs/dbraw/zinc/34/37/85/554343785.db2.gz	HDNDGWQOVSGFGA-BSEYFRJRSA-N	0	1	544.560	5.328	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000053359597	554344910	/nfs/dbraw/zinc/34/49/10/554344910.db2.gz	KVLDDYINIVMPGU-UKJJDJLKSA-N	0	1	548.683	7.081	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000053359645	554345280	/nfs/dbraw/zinc/34/52/80/554345280.db2.gz	IBKWWBSFNCQSPU-QNLPTKCRSA-N	0	1	540.635	7.093	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cccc(Cl)c2)cc1OC	ZINC000053359680	554345305	/nfs/dbraw/zinc/34/53/05/554345305.db2.gz	FWCDMNISLAQFNB-GJBXTBEHSA-N	0	1	565.069	7.572	50	30		KKEAMN
CC(C)c1cc(N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)n2c3ccccc3nc2c1C#N	ZINC000054104413	554348708	/nfs/dbraw/zinc/34/87/08/554348708.db2.gz	QLAYHOAHQCZEKP-UHFFFAOYSA-N	0	1	529.688	6.411	50	30		KKEAMN
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)ccc2OC)C3)cc([N+](=O)[O-])c1O	ZINC000059626439	554414821	/nfs/dbraw/zinc/41/48/21/554414821.db2.gz	CEKMQVFCXGHDIJ-OLRZCDJHSA-N	0	1	531.565	5.696	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccnc2)cc1	ZINC000100675300	554443719	/nfs/dbraw/zinc/44/37/19/554443719.db2.gz	INMBTTKBVDBUSQ-HSZRJFAPSA-N	0	1	549.649	5.621	50	30		KKEAMN
CCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC	ZINC000100677712	554444703	/nfs/dbraw/zinc/44/47/03/554444703.db2.gz	XHADWXOAZSAOOK-RUZDIDTESA-N	0	1	596.677	6.436	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000100679532	554445711	/nfs/dbraw/zinc/44/57/11/554445711.db2.gz	MHCVFDXCDPVPMU-XMMPIXPASA-N	0	1	562.644	5.683	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000100680344	554446350	/nfs/dbraw/zinc/44/63/50/554446350.db2.gz	LINODXZUMKVKKP-QHCPKHFHSA-N	0	1	601.508	7.063	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000100680276	554446373	/nfs/dbraw/zinc/44/63/73/554446373.db2.gz	JFXWOLRYZGRNCK-JOCHJYFZSA-N	0	1	599.503	6.353	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCC)cc2)nc1C	ZINC000100680362	554446442	/nfs/dbraw/zinc/44/64/42/554446442.db2.gz	QVPOHYXASYVVJH-SANMLTNESA-N	0	1	590.698	6.545	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccccc2)nc1C	ZINC000100681002	554446877	/nfs/dbraw/zinc/44/68/77/554446877.db2.gz	OSPOFSSSJOXANJ-HSZRJFAPSA-N	0	1	532.618	5.756	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000100681196	554447512	/nfs/dbraw/zinc/44/75/12/554447512.db2.gz	FXPBHXYOZGRCFB-SSEXGKCCSA-N	0	1	537.612	6.816	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1OC	ZINC000100681168	554447580	/nfs/dbraw/zinc/44/75/80/554447580.db2.gz	ONQGCYXYUYTZLE-ABYGYWHVSA-N	0	1	551.680	6.200	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000100681184	554447616	/nfs/dbraw/zinc/44/76/16/554447616.db2.gz	SLAPORDPOPICCN-JDXGNMNLSA-N	0	1	541.644	6.202	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000100681459	554447886	/nfs/dbraw/zinc/44/78/86/554447886.db2.gz	AAEYXLFITXASEB-JOCHJYFZSA-N	0	1	554.596	5.266	50	30		KKEAMN
CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1	ZINC000100736028	554461348	/nfs/dbraw/zinc/46/13/48/554461348.db2.gz	UKPMASWXOVSXOJ-BHVANESWSA-N	0	1	604.242	9.136	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@H]3c2ccc(F)cc2)cc1	ZINC000100871495	554499338	/nfs/dbraw/zinc/49/93/38/554499338.db2.gz	KRCFDUGKKXMFQO-NZYQLMHLSA-N	0	1	544.626	7.448	50	30		KKEAMN
CCCCCCCCCCCCCCCCOC[C@H](CO[P@](=O)([O-])OCC[N+]1(C)CCCC1)OC(C)=O	ZINC000064858281	554518218	/nfs/dbraw/zinc/51/82/18/554518218.db2.gz	QBLLCUIJMABRFJ-MUUNZHRXSA-O	0	1	550.738	6.790	50	30	in-vitro	KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)no1	ZINC000101062494	554570678	/nfs/dbraw/zinc/57/06/78/554570678.db2.gz	KEBDVNFCQQRJRR-YDJIHCHBSA-N	0	1	526.343	5.269	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1	ZINC000101069821	554574416	/nfs/dbraw/zinc/57/44/16/554574416.db2.gz	POZKHLZQVTVRCU-NHFXJNLRSA-N	0	1	536.731	6.748	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(Br)cc2)no1	ZINC000101072961	554576522	/nfs/dbraw/zinc/57/65/22/554576522.db2.gz	UKCVADHUNBKUIP-YDJIHCHBSA-N	0	1	560.242	6.123	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2	ZINC000101072858	554576589	/nfs/dbraw/zinc/57/65/89/554576589.db2.gz	QQPQCVBIGSNWQX-MOBKVPTQSA-N	0	1	583.847	6.110	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)nc2c(C)c1	ZINC000101100194	554586794	/nfs/dbraw/zinc/58/67/94/554586794.db2.gz	BWYIXYJQEJJSKB-IAMBOQNYSA-N	0	1	553.865	6.955	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)cc1	ZINC000101100184	554586809	/nfs/dbraw/zinc/58/68/09/554586809.db2.gz	MYUZHLVCPZNIHK-MRJHHRETSA-N	0	1	523.383	6.133	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)cc2)nc1C	ZINC000101278040	554704505	/nfs/dbraw/zinc/70/45/05/554704505.db2.gz	KCIPDPATWKRDNT-ONQGDUAMSA-N	0	1	596.661	6.014	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000101278223	554704853	/nfs/dbraw/zinc/70/48/53/554704853.db2.gz	LJXBQFNXDZLCPG-CTVAMRBASA-N	0	1	551.020	5.397	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000101293992	554710659	/nfs/dbraw/zinc/71/06/59/554710659.db2.gz	VMRHOCTWBOIHMY-AYWGPLOBSA-N	0	1	504.514	5.766	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000101310400	554717930	/nfs/dbraw/zinc/71/79/30/554717930.db2.gz	NQZLKHBYFBSDFB-DFXXOVSGSA-N	0	1	527.573	5.043	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000101316856	554723892	/nfs/dbraw/zinc/72/38/92/554723892.db2.gz	PPUMWZZHRBONIC-JVJOXMINSA-N	0	1	615.708	6.484	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000101316859	554723906	/nfs/dbraw/zinc/72/39/06/554723906.db2.gz	PPUMWZZHRBONIC-ROBPHKHBSA-N	0	1	615.708	6.484	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000101316901	554724149	/nfs/dbraw/zinc/72/41/49/554724149.db2.gz	PXEHBELKMCGSNM-CZNAVJSXSA-N	0	1	599.690	5.793	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000101338218	554734798	/nfs/dbraw/zinc/73/47/98/554734798.db2.gz	JNSMYSZVJDIXKA-HSZRJFAPSA-N	0	1	610.088	6.501	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(N(C)C)cc2)cc1F	ZINC000101338211	554734812	/nfs/dbraw/zinc/73/48/12/554734812.db2.gz	AVUWZWUCBUYJMI-DEOSSOPVSA-N	0	1	595.121	6.780	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000101344368	554736661	/nfs/dbraw/zinc/73/66/61/554736661.db2.gz	OUQVXBRTINMHGV-MHZLTWQESA-N	0	1	597.693	7.223	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000102076660	554874809	/nfs/dbraw/zinc/87/48/09/554874809.db2.gz	AAULGPJBJLMINA-JEPDFCTISA-N	0	1	529.637	5.143	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000102076828	554875072	/nfs/dbraw/zinc/87/50/72/554875072.db2.gz	XVNNAILFQOPKEZ-UUALVTFQSA-N	0	1	591.085	6.772	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000102076758	554875120	/nfs/dbraw/zinc/87/51/20/554875120.db2.gz	XYBJIWQEIFLNTQ-MIOXIQPJSA-N	0	1	527.617	5.547	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C	ZINC000102076804	554875133	/nfs/dbraw/zinc/87/51/33/554875133.db2.gz	RZOFFHVNBCATOK-NPJIAGGLSA-N	0	1	562.644	5.477	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000102076745	554875157	/nfs/dbraw/zinc/87/51/57/554875157.db2.gz	SWKARDYIBSDPNU-FGEDTZIGSA-N	0	1	512.606	5.452	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102078889	554875511	/nfs/dbraw/zinc/87/55/11/554875511.db2.gz	IQDFFUDBVHJKCP-MNOIWJKESA-N	0	1	627.788	7.205	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102078898	554875523	/nfs/dbraw/zinc/87/55/23/554875523.db2.gz	IQDFFUDBVHJKCP-YJMWBXFMSA-N	0	1	627.788	7.205	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102078903	554875735	/nfs/dbraw/zinc/87/57/35/554875735.db2.gz	UYIOENBYOWBUCM-DFXXOVSGSA-N	0	1	629.760	6.653	50	30		KKEAMN
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000102369012	554915945	/nfs/dbraw/zinc/91/59/45/554915945.db2.gz	YZBASRXFNLRIFC-ONQGDUAMSA-N	0	1	500.595	5.249	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(Br)c1	ZINC000102487051	554938523	/nfs/dbraw/zinc/93/85/23/554938523.db2.gz	PDIZRAINWNRUFT-CJJGVWJISA-N	0	1	549.465	5.320	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccc(Br)c1	ZINC000102490783	554939026	/nfs/dbraw/zinc/93/90/26/554939026.db2.gz	VCQXWKGCNCXWDQ-CZNAVJSXSA-N	0	1	550.449	5.795	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccc(Br)c1	ZINC000102490792	554939097	/nfs/dbraw/zinc/93/90/97/554939097.db2.gz	VCQXWKGCNCXWDQ-CJJGVWJISA-N	0	1	550.449	5.795	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3OC)sc2c1	ZINC000102491314	554939312	/nfs/dbraw/zinc/93/93/12/554939312.db2.gz	HSYXSTMMMXKYOU-ZHHPLPSFSA-N	0	1	504.539	5.469	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000102492892	554939712	/nfs/dbraw/zinc/93/97/12/554939712.db2.gz	NFGPANVWQHVKPP-HOGKFDNTSA-N	0	1	506.967	5.593	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC	ZINC000102497264	554941029	/nfs/dbraw/zinc/94/10/29/554941029.db2.gz	RMBJELRJJDBNNE-VEZPTTSMSA-N	0	1	580.637	5.617	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000102507788	554945234	/nfs/dbraw/zinc/94/52/34/554945234.db2.gz	XZNOTYCMIVQNGG-QMMFTLRZSA-N	0	1	617.068	10.006	50	30		KKEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1	ZINC000102508218	554945442	/nfs/dbraw/zinc/94/54/42/554945442.db2.gz	CYUWKBPFYFUADM-MOBKVPTQSA-N	0	1	508.502	5.218	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC	ZINC000102508627	554945683	/nfs/dbraw/zinc/94/56/83/554945683.db2.gz	IIWBMUDXATWXES-MRJHHRETSA-N	0	1	508.502	5.218	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000102513491	554947023	/nfs/dbraw/zinc/94/70/23/554947023.db2.gz	JUGUHHYKGFZWMS-NHFXJNLRSA-N	0	1	526.998	5.225	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Cl)cc1	ZINC000102517430	554948457	/nfs/dbraw/zinc/94/84/57/554948457.db2.gz	TUXRZLBTWMJTOF-CJJGVWJISA-N	0	1	505.014	5.211	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	ZINC000102528632	554953134	/nfs/dbraw/zinc/95/31/34/554953134.db2.gz	OHZGZKHENBCQTL-CJJGVWJISA-N	0	1	539.459	5.864	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000102531317	554953914	/nfs/dbraw/zinc/95/39/14/554953914.db2.gz	FHFRTJQHEAAGKL-SZYGQJGOSA-N	0	1	642.675	9.369	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1	ZINC000102538604	554956592	/nfs/dbraw/zinc/95/65/92/554956592.db2.gz	HQZUPFCNRJSYNK-MOBKVPTQSA-N	0	1	520.538	5.088	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000102539117	554956822	/nfs/dbraw/zinc/95/68/22/554956822.db2.gz	FTRJYXWMXGRAKY-QJGFIUGVSA-N	0	1	545.632	6.193	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C	ZINC000102539890	554957078	/nfs/dbraw/zinc/95/70/78/554957078.db2.gz	VFUPRKIEELZDHI-ZHHPLPSFSA-N	0	1	505.442	5.464	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000102542938	554958138	/nfs/dbraw/zinc/95/81/38/554958138.db2.gz	RAWMHLHISZAYLH-NXLSWJSLSA-N	0	1	551.020	5.992	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000102542928	554958182	/nfs/dbraw/zinc/95/81/82/554958182.db2.gz	RAWMHLHISZAYLH-SBXHHDGASA-N	0	1	551.020	5.992	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102546653	554959307	/nfs/dbraw/zinc/95/93/07/554959307.db2.gz	PGLWOUMMOXGRTE-FWOIGAHVSA-N	0	1	581.477	6.952	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000102546859	554959678	/nfs/dbraw/zinc/95/96/78/554959678.db2.gz	LVOZOFLAAJFTJN-OGHRCCBNSA-N	0	1	589.670	5.928	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000102547436	554959980	/nfs/dbraw/zinc/95/99/80/554959980.db2.gz	CECIJFWGVKLNEO-CZNAVJSXSA-N	0	1	526.614	6.056	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1	ZINC000102548916	554960568	/nfs/dbraw/zinc/96/05/68/554960568.db2.gz	ABRLQZFVXMEBCH-KYWXLPDZSA-N	0	1	565.420	6.148	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C	ZINC000102550613	554961690	/nfs/dbraw/zinc/96/16/90/554961690.db2.gz	GHDQPNUKBRKSTN-MNOIWJKESA-N	0	1	559.663	5.152	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000102552385	554962503	/nfs/dbraw/zinc/96/25/03/554962503.db2.gz	BHLCFYGRPPKTPI-MIOXIQPJSA-N	0	1	543.616	5.657	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102552454	554962800	/nfs/dbraw/zinc/96/28/00/554962800.db2.gz	XEQSPIUXGMGOII-WGGXKBPPSA-N	0	1	543.616	5.657	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000102559847	554967215	/nfs/dbraw/zinc/96/72/15/554967215.db2.gz	ITVQGEYQNUMPBG-IOUQRVAPSA-N	0	1	585.707	6.097	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1	ZINC000102560387	554967572	/nfs/dbraw/zinc/96/75/72/554967572.db2.gz	GKNBULDDKPQHPM-QMMFTLRZSA-N	0	1	630.719	6.526	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000102561524	554968245	/nfs/dbraw/zinc/96/82/45/554968245.db2.gz	VPVRXRPRWLBCRC-AHPONGEQSA-N	0	1	571.670	5.946	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000102562010	554968336	/nfs/dbraw/zinc/96/83/36/554968336.db2.gz	MSXQZBHQAIGOEW-NXLSWJSLSA-N	0	1	510.373	5.429	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000102563274	554968874	/nfs/dbraw/zinc/96/88/74/554968874.db2.gz	BXQHQUBNEOHPCP-MNOIWJKESA-N	0	1	535.600	5.511	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000102575851	554971492	/nfs/dbraw/zinc/97/14/92/554971492.db2.gz	RKHMZLNNNWTEFP-AIKCTZLLSA-N	0	1	594.089	6.573	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC	ZINC000102576332	554971811	/nfs/dbraw/zinc/97/18/11/554971811.db2.gz	AKIIVLULWONQOS-IUKMQXEJSA-N	0	1	578.643	5.239	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	ZINC000102581646	554972727	/nfs/dbraw/zinc/97/27/27/554972727.db2.gz	JATYWBOHUUMXBR-YDJIHCHBSA-N	0	1	513.384	5.148	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000102592909	554974405	/nfs/dbraw/zinc/97/44/05/554974405.db2.gz	KSFVKWCVIQHPBL-DFXXOVSGSA-N	0	1	535.556	5.499	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC	ZINC000102596671	554977141	/nfs/dbraw/zinc/97/71/41/554977141.db2.gz	GUXQUNIZHZYFBE-CJJGVWJISA-N	0	1	592.670	5.629	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000102599285	554977414	/nfs/dbraw/zinc/97/74/14/554977414.db2.gz	WIIYLGYALSDKOO-AYWGPLOBSA-N	0	1	596.061	6.020	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1	ZINC000102604234	554978106	/nfs/dbraw/zinc/97/81/06/554978106.db2.gz	KABGCIREFKITNS-AHPONGEQSA-N	0	1	517.754	8.898	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000102610470	554980769	/nfs/dbraw/zinc/98/07/69/554980769.db2.gz	BSFPEMHCEMBYLB-UUALVTFQSA-N	0	1	615.733	6.325	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2	ZINC000102622196	554987478	/nfs/dbraw/zinc/98/74/78/554987478.db2.gz	GQMSSHKTLODGCW-ZHHPLPSFSA-N	0	1	577.615	5.073	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000102623008	554987646	/nfs/dbraw/zinc/98/76/46/554987646.db2.gz	GNWMSTQDUWAUQN-ONQGDUAMSA-N	0	1	611.676	6.520	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O	ZINC000102626849	554988210	/nfs/dbraw/zinc/98/82/10/554988210.db2.gz	KADWAWDAJPMILK-XYGUOAIHSA-N	0	1	611.445	5.862	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O	ZINC000102626849	554988212	/nfs/dbraw/zinc/98/82/12/554988212.db2.gz	KADWAWDAJPMILK-XYGUOAIHSA-N	0	1	611.445	5.862	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000102645729	554992196	/nfs/dbraw/zinc/99/21/96/554992196.db2.gz	WLTIEMZVMXNQBY-RWMNMRIUSA-N	0	1	541.644	6.210	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)ccc1OCc1ccccc1	ZINC000102648991	554994566	/nfs/dbraw/zinc/99/45/66/554994566.db2.gz	VDXJYORLDFEECC-RWMNMRIUSA-N	0	1	557.643	5.446	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000102653386	554997076	/nfs/dbraw/zinc/99/70/76/554997076.db2.gz	CCCZHNLAEUEHKE-WGGXKBPPSA-N	0	1	558.631	5.442	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C	ZINC000102653554	554997141	/nfs/dbraw/zinc/99/71/41/554997141.db2.gz	VLOMKZGINBDUQG-CJJGVWJISA-N	0	1	600.649	5.466	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102653736	554997398	/nfs/dbraw/zinc/99/73/98/554997398.db2.gz	KCGQOJOZVAIBLA-BBHOXHGRSA-N	0	1	610.544	7.087	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C	ZINC000102655893	554998732	/nfs/dbraw/zinc/99/87/32/554998732.db2.gz	PJNJRJMWNLPGHS-GRBPGWBESA-N	0	1	619.139	7.333	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000102675396	555003752	/nfs/dbraw/zinc/00/37/52/555003752.db2.gz	QXAIZQWVOSSERS-BBHOXHGRSA-N	0	1	594.089	6.573	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(O)c3)ccc2O1	ZINC000102679218	555004787	/nfs/dbraw/zinc/00/47/87/555004787.db2.gz	MPHNXZIRBAMDLZ-HALAOQOWSA-N	0	1	575.643	5.625	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102693999	555009578	/nfs/dbraw/zinc/00/95/78/555009578.db2.gz	HUYQVKHYDUMYNB-NHFXJNLRSA-N	0	1	509.381	5.841	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102710752	555016439	/nfs/dbraw/zinc/01/64/39/555016439.db2.gz	ODHRLFOLMJIUEQ-JBCNATCCSA-N	0	1	523.408	6.149	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000102717136	555018957	/nfs/dbraw/zinc/01/89/57/555018957.db2.gz	HGOUBVNYVWNKEL-MIOXIQPJSA-N	0	1	536.584	5.305	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102717146	555019292	/nfs/dbraw/zinc/01/92/92/555019292.db2.gz	RCBYLTDSNHMKCM-NHFXJNLRSA-N	0	1	525.449	6.309	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102730939	555023792	/nfs/dbraw/zinc/02/37/92/555023792.db2.gz	QSMOCYHTNLDBMO-YDJIHCHBSA-N	0	1	509.381	5.841	50	30		KKEAMN
Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000102731951	555023807	/nfs/dbraw/zinc/02/38/07/555023807.db2.gz	XRTKZKRGLYWNIM-QMMFTLRZSA-N	0	1	540.660	5.026	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000102732547	555024072	/nfs/dbraw/zinc/02/40/72/555024072.db2.gz	ZBVZZQHAMZVUFM-DFXXOVSGSA-N	0	1	542.035	5.936	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccccc3)cc2)c1	ZINC000102732650	555024123	/nfs/dbraw/zinc/02/41/23/555024123.db2.gz	LEFIEPZREBRZGL-TXTDGAROSA-N	0	1	507.590	5.283	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102734704	555024992	/nfs/dbraw/zinc/02/49/92/555024992.db2.gz	IPJMHXLPKUYXJD-ZHHPLPSFSA-N	0	1	531.546	5.156	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1	ZINC000102736930	555026383	/nfs/dbraw/zinc/02/63/83/555026383.db2.gz	FGDSXLUFVPIPLJ-FECHNCLXSA-N	0	1	547.976	5.808	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1	ZINC000102736939	555026468	/nfs/dbraw/zinc/02/64/68/555026468.db2.gz	CSORDWJNGNFVGM-FECHNCLXSA-N	0	1	531.521	5.293	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccs3)ccc2O1	ZINC000102771546	555060563	/nfs/dbraw/zinc/06/05/63/555060563.db2.gz	NOBWSQFCHBHUCV-HDTBSZCESA-N	0	1	509.008	5.961	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(C)cc1	ZINC000102858085	555089218	/nfs/dbraw/zinc/08/92/18/555089218.db2.gz	DTGNGLLZFKEGDE-ZORLYMSLSA-N	0	1	596.650	9.661	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000102858557	555089433	/nfs/dbraw/zinc/08/94/33/555089433.db2.gz	YMBNEOINHJREEW-NXLSWJSLSA-N	0	1	564.591	5.486	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000102858550	555089453	/nfs/dbraw/zinc/08/94/53/555089453.db2.gz	NZKNQAABLQTMOG-JBCNATCCSA-N	0	1	524.570	5.182	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000102859119	555089750	/nfs/dbraw/zinc/08/97/50/555089750.db2.gz	OUCYFDNNKRJVFA-LODGOHBISA-N	0	1	512.606	5.596	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000102859694	555090054	/nfs/dbraw/zinc/09/00/54/555090054.db2.gz	VFGFNUSISZEZLM-TXTDGAROSA-N	0	1	530.621	5.454	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1Cl	ZINC000102860498	555090577	/nfs/dbraw/zinc/09/05/77/555090577.db2.gz	UHLJKHLCDYEBOF-MOBKVPTQSA-N	0	1	500.382	5.101	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102861548	555091492	/nfs/dbraw/zinc/09/14/92/555091492.db2.gz	ILLKLCBEFJWBTQ-MRJHHRETSA-N	0	1	522.941	5.502	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(OC)cc1	ZINC000102861971	555091904	/nfs/dbraw/zinc/09/19/04/555091904.db2.gz	YTLSWLZBJLERHI-AHPONGEQSA-N	0	1	612.649	9.361	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000102865125	555094915	/nfs/dbraw/zinc/09/49/15/555094915.db2.gz	HAZKIRBYKNWTHQ-MOBKVPTQSA-N	0	1	506.967	5.593	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(Br)c2)nc1C	ZINC000102866550	555095769	/nfs/dbraw/zinc/09/57/69/555095769.db2.gz	KDEAEOWSAUDZPZ-SELCWUDQSA-N	0	1	527.396	5.017	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000102867222	555096612	/nfs/dbraw/zinc/09/66/12/555096612.db2.gz	XKXBMVGUPGWXFC-UUALVTFQSA-N	0	1	533.577	5.250	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102869505	555098890	/nfs/dbraw/zinc/09/88/90/555098890.db2.gz	VJHROUKXINXEAE-YREDKMEYSA-N	0	1	613.761	6.959	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102869677	555099477	/nfs/dbraw/zinc/09/94/77/555099477.db2.gz	WKBVHZAVEIJZDT-GMBUILNLSA-N	0	1	577.456	6.017	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102869680	555099489	/nfs/dbraw/zinc/09/94/89/555099489.db2.gz	WKBVHZAVEIJZDT-WGQAXHKASA-N	0	1	577.456	6.017	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102870020	555099692	/nfs/dbraw/zinc/09/96/92/555099692.db2.gz	RABNQCANCXSBRS-JRPVAJNPSA-N	0	1	591.483	6.407	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102870011	555099719	/nfs/dbraw/zinc/09/97/19/555099719.db2.gz	RABNQCANCXSBRS-HAQIDCBSSA-N	0	1	591.483	6.407	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000102870082	555100173	/nfs/dbraw/zinc/10/01/73/555100173.db2.gz	VNCIUXHUBGITPF-LOOKCOSASA-N	0	1	531.605	5.803	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000102872751	555103156	/nfs/dbraw/zinc/10/31/56/555103156.db2.gz	XPBLJQYQKAZHAE-SBXHHDGASA-N	0	1	534.565	5.478	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1	ZINC000102876614	555106191	/nfs/dbraw/zinc/10/61/91/555106191.db2.gz	RYSXHNVNTLHAAF-QMMFTLRZSA-N	0	1	617.068	10.006	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000102877999	555107191	/nfs/dbraw/zinc/10/71/91/555107191.db2.gz	KSUDEAQMIUKZID-ZHJYXLETSA-N	0	1	511.618	6.201	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000102880013	555108902	/nfs/dbraw/zinc/10/89/02/555108902.db2.gz	XXVXMAIWSWJSPK-AYWGPLOBSA-N	0	1	520.994	5.983	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000102880212	555109276	/nfs/dbraw/zinc/10/92/76/555109276.db2.gz	VDAIJGSCNPEUPZ-QZDFLZESSA-N	0	1	555.671	6.456	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000102882908	555111441	/nfs/dbraw/zinc/11/14/41/555111441.db2.gz	QPUGTNJIYCUKMK-AYWGPLOBSA-N	0	1	520.538	5.088	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102883967	555112598	/nfs/dbraw/zinc/11/25/98/555112598.db2.gz	CVMXMKXZPBYRQR-ZHHPLPSFSA-N	0	1	569.422	6.009	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000102884346	555113163	/nfs/dbraw/zinc/11/31/63/555113163.db2.gz	CDONGKQZFJKPBD-QNIVJUIWSA-N	0	1	606.125	6.442	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1	ZINC000102886829	555117581	/nfs/dbraw/zinc/11/75/81/555117581.db2.gz	RIECCSSGYSHMBL-WGGXKBPPSA-N	0	1	616.692	6.136	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000102887429	555119285	/nfs/dbraw/zinc/11/92/85/555119285.db2.gz	SQBOGJXESIFOPF-WNQPQFFOSA-N	0	1	606.697	5.765	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000102887356	555119295	/nfs/dbraw/zinc/11/92/95/555119295.db2.gz	MXSGMNPGGXBBAC-WYNCGZBVSA-N	0	1	629.760	6.578	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000102887437	555119303	/nfs/dbraw/zinc/11/93/03/555119303.db2.gz	SQBOGJXESIFOPF-AMKIGSDESA-N	0	1	606.697	5.765	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000102887783	555120122	/nfs/dbraw/zinc/12/01/22/555120122.db2.gz	SEEXHYXBJFGPBG-FSDXSRJSSA-N	0	1	617.680	5.706	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000102888061	555120844	/nfs/dbraw/zinc/12/08/44/555120844.db2.gz	LQPONVLMFCMRNH-HOGKFDNTSA-N	0	1	522.941	5.486	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000102888850	555122493	/nfs/dbraw/zinc/12/24/93/555122493.db2.gz	OTRCYTZUMXLPFG-HAQIDCBSSA-N	0	1	547.032	6.298	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000102890932	555126563	/nfs/dbraw/zinc/12/65/63/555126563.db2.gz	CFUJCKNZJDWNJO-WMRKGWLDSA-N	0	1	529.637	5.288	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102891354	555127126	/nfs/dbraw/zinc/12/71/26/555127126.db2.gz	KUPSLWUMVLRKBJ-SBXHHDGASA-N	0	1	583.449	6.399	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000102891997	555128190	/nfs/dbraw/zinc/12/81/90/555128190.db2.gz	IVCUMHFCTVAFEW-WGQAXHKASA-N	0	1	533.005	5.908	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC	ZINC000102892276	555128459	/nfs/dbraw/zinc/12/84/59/555128459.db2.gz	VJEJGLSBEGLNGA-FWOIGAHVSA-N	0	1	593.057	5.925	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000102893061	555129917	/nfs/dbraw/zinc/12/99/17/555129917.db2.gz	IJXNKLGHKDBHDM-KFLIVHAJSA-N	0	1	563.779	8.607	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc(Br)c1O	ZINC000102893567	555131040	/nfs/dbraw/zinc/13/10/40/555131040.db2.gz	AKMWKOGKGLHIMO-WRPQUVRJSA-N	0	1	550.405	5.109	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc(Br)c1O	ZINC000102893575	555131043	/nfs/dbraw/zinc/13/10/43/555131043.db2.gz	AKMWKOGKGLHIMO-HALAOQOWSA-N	0	1	550.405	5.109	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1	ZINC000102893530	555131055	/nfs/dbraw/zinc/13/10/55/555131055.db2.gz	XKISSRLHRYJTHY-PYCUTIABSA-N	0	1	576.649	6.005	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCC)c(OC)c3)sc2c1	ZINC000102893627	555131268	/nfs/dbraw/zinc/13/12/68/555131268.db2.gz	HBLHPJWNWZFGQP-UUALVTFQSA-N	0	1	588.638	5.500	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000102895483	555134688	/nfs/dbraw/zinc/13/46/88/555134688.db2.gz	PEHVTWJHWLCKCV-WGGXKBPPSA-N	0	1	543.616	5.513	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000102895548	555134749	/nfs/dbraw/zinc/13/47/49/555134749.db2.gz	BJWDZUBGSUEYBD-RJIUIVJKSA-N	0	1	591.660	6.100	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1	ZINC000102896574	555136615	/nfs/dbraw/zinc/13/66/15/555136615.db2.gz	CWFGLWYTGJEABI-QMMFTLRZSA-N	0	1	556.162	9.382	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000102898139	555138234	/nfs/dbraw/zinc/13/82/34/555138234.db2.gz	LSBACRVIMTVQHE-CZNAVJSXSA-N	0	1	520.582	5.442	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C	ZINC000102899408	555139063	/nfs/dbraw/zinc/13/90/63/555139063.db2.gz	WJPJXHWSKBRNSP-MIOXIQPJSA-N	0	1	558.631	5.298	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C	ZINC000102899759	555139667	/nfs/dbraw/zinc/13/96/67/555139667.db2.gz	HQNCNAMBBOPZBZ-RWMNMRIUSA-N	0	1	556.659	5.851	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000102926808	555151417	/nfs/dbraw/zinc/15/14/17/555151417.db2.gz	LRTWRWXHGWMXLX-DNNDWWBDSA-N	0	1	527.617	5.819	50	30		KKEAMN
Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000102927265	555151941	/nfs/dbraw/zinc/15/19/41/555151941.db2.gz	IHPPRIMZAJNPAG-QMMFTLRZSA-N	0	1	540.660	5.026	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4C)cc3)[C@@H]2c2cccc(Cl)c2)s1	ZINC000102930827	555157998	/nfs/dbraw/zinc/15/79/98/555157998.db2.gz	JQASGVCHFAMTIU-NXLSWJSLSA-N	0	1	532.021	6.014	50	30		KKEAMN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102930847	555158107	/nfs/dbraw/zinc/15/81/07/555158107.db2.gz	ZJLSAINQNGEGIU-VFJWVMJUSA-N	0	1	506.898	5.051	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(Cl)cc2)no1	ZINC000102935207	555162484	/nfs/dbraw/zinc/16/24/84/555162484.db2.gz	UHKBEPRQMGRAAM-NHFXJNLRSA-N	0	1	515.791	6.014	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1O	ZINC000102937662	555165638	/nfs/dbraw/zinc/16/56/38/555165638.db2.gz	DLNQMQIWCHMUFB-VWLOTQADSA-N	0	1	621.649	5.080	50	30		KKEAMN
CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000103070554	555251361	/nfs/dbraw/zinc/25/13/61/555251361.db2.gz	CVNWCJVKCHFCFL-UHFFFAOYSA-N	0	1	627.649	7.194	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C	ZINC000103143698	555312008	/nfs/dbraw/zinc/31/20/08/555312008.db2.gz	SEUAVXIIPSFEFK-AYWGPLOBSA-N	0	1	506.426	5.939	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000103929043	571370152	/nfs/dbraw/zinc/37/01/52/571370152.db2.gz	GYUDLXVMAZJHKC-CZNAVJSXSA-N	0	1	584.650	6.364	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000104175920	571375985	/nfs/dbraw/zinc/37/59/85/571375985.db2.gz	VZBUWFLVMDFBSO-DFXXOVSGSA-N	0	1	515.606	6.034	50	30		KKEAMN
COc1ccc(Nc2nc(N=NCc3ccc(-c4ccc([N+](=O)[O-])c(C)c4C)o3)nc(NCc3ccco3)n2)cc1	ZINC000106254354	571411624	/nfs/dbraw/zinc/41/16/24/571411624.db2.gz	FOVAAMFTCHMXDA-OKCVXOCRSA-N	0	1	554.567	6.060	50	30		KKEAMN
O=C(CSc1nc2ccc(/N=C/c3cc(I)cc(I)c3O)cc2s1)NCCOc1ccccc1	ZINC000150363657	571464319	/nfs/dbraw/zinc/46/43/19/571464319.db2.gz	ABVJWRSZUUTOAP-XODNFHPESA-N	0	1	715.376	6.249	50	30		KKEAMN
COc1cc([C@@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)C=Cc2ccccc2)cc(OC)c1OC	ZINC000150376324	571466351	/nfs/dbraw/zinc/46/63/51/571466351.db2.gz	PPJAPOVNCNPISZ-OYBFDOIVSA-N	0	1	642.796	8.624	50	30		KKEAMN
CCCCCCCCCCCCCCCCCCOc1ccccc1N1C(=O)c2ccccc2C(Sc2nnnn2-c2ccccc2)C1=O	ZINC000150391518	571473863	/nfs/dbraw/zinc/47/38/63/571473863.db2.gz	ZYSWTYWXGJBAFY-QNGWXLTQSA-N	0	1	681.947	10.323	50	30		KKEAMN
CCCCCCCCOc1ccc(Nc2cc(Nc3ccccc3/N=C/c3c(O)ccc4ccccc43)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000150399516	571477721	/nfs/dbraw/zinc/47/77/21/571477721.db2.gz	VOYFLIZRLADAMC-XPGZBYHPSA-N	0	1	647.732	10.339	50	30		KKEAMN
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N(CC)CC)c(S(=O)(=O)Nc3ccccc3OC)c2)c1	ZINC000150407624	571480141	/nfs/dbraw/zinc/48/01/41/571480141.db2.gz	UKJZRPJNMDGAET-UHFFFAOYSA-N	0	1	683.252	6.629	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150417253	571486078	/nfs/dbraw/zinc/48/60/78/571486078.db2.gz	QXIKCNIHSRXFPB-DFXXOVSGSA-N	0	1	645.759	6.334	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C	ZINC000150424785	571489327	/nfs/dbraw/zinc/48/93/27/571489327.db2.gz	CTAWVJVNFGXURT-VEZPTTSMSA-N	0	1	742.703	8.358	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C	ZINC000150424778	571489348	/nfs/dbraw/zinc/48/93/48/571489348.db2.gz	GBPUHCCXKPGCJX-SMOAUKQDSA-N	0	1	740.731	8.911	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C	ZINC000150424764	571489366	/nfs/dbraw/zinc/48/93/66/571489366.db2.gz	GBPUHCCXKPGCJX-YSJQHINGSA-N	0	1	740.731	8.911	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000150426547	571490687	/nfs/dbraw/zinc/49/06/87/571490687.db2.gz	GLFTVGYGNRKUDZ-HAQIDCBSSA-N	0	1	668.580	6.874	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000150426795	571491113	/nfs/dbraw/zinc/49/11/13/571491113.db2.gz	GOCQOEBYHGTZJY-QNIVJUIWSA-N	0	1	634.135	6.220	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000150427654	571491795	/nfs/dbraw/zinc/49/17/95/571491795.db2.gz	QSUZWZDAXVEFJU-WGGXKBPPSA-N	0	1	642.730	6.549	50	30		KKEAMN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000150432485	571494365	/nfs/dbraw/zinc/49/43/65/571494365.db2.gz	JWKYSSGLNKEAQT-VWLOTQADSA-N	0	1	624.096	6.444	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000150435340	571495265	/nfs/dbraw/zinc/49/52/65/571495265.db2.gz	HKPVEOLRDSIAQY-PMERELPUSA-N	0	1	640.758	8.018	50	30		KKEAMN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000150435207	571495281	/nfs/dbraw/zinc/49/52/81/571495281.db2.gz	OONYXFYLFHRRNU-CJJGVWJISA-N	0	1	654.597	7.658	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1	ZINC000150435510	571495456	/nfs/dbraw/zinc/49/54/56/571495456.db2.gz	DAGLJGLTWUUADW-JOZOHXTNSA-N	0	1	726.276	8.411	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1	ZINC000150435582	571495479	/nfs/dbraw/zinc/49/54/79/571495479.db2.gz	ZZILABCOXMIXAC-CBOKBIJUSA-N	0	1	760.721	9.065	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1	ZINC000150435518	571495570	/nfs/dbraw/zinc/49/55/70/571495570.db2.gz	DAGLJGLTWUUADW-QCRSBAEDSA-N	0	1	726.276	8.411	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1	ZINC000150435556	571495601	/nfs/dbraw/zinc/49/56/01/571495601.db2.gz	LOSQQCCTQRVVIX-QCRSBAEDSA-N	0	1	709.821	7.897	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1	ZINC000150439741	571497666	/nfs/dbraw/zinc/49/76/66/571497666.db2.gz	OGQOSLZHSITRKY-KFLIVHAJSA-N	0	1	693.803	7.206	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1	ZINC000150439718	571497710	/nfs/dbraw/zinc/49/77/10/571497710.db2.gz	UCYRZWYTLNYIBE-ANBMCXBTSA-N	0	1	691.831	7.758	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C	ZINC000150445201	571500147	/nfs/dbraw/zinc/50/01/47/571500147.db2.gz	FFRKMZWTZWKYLW-WAUVLBAPSA-N	0	1	629.485	5.055	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150445794	571500694	/nfs/dbraw/zinc/50/06/94/571500694.db2.gz	JETAQCNSEVDWLS-QBCYBHDASA-N	0	1	662.233	7.858	50	30		KKEAMN
C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(Br)cc3)c2)c1	ZINC000150452703	571503425	/nfs/dbraw/zinc/50/34/25/571503425.db2.gz	FAXRQJKVHHXOAI-UHFFFAOYSA-N	0	1	691.025	6.546	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000150457524	571504865	/nfs/dbraw/zinc/50/48/65/571504865.db2.gz	NRFLOGLIMJYIIX-DNNDWWBDSA-N	0	1	645.778	7.488	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000150457520	571505037	/nfs/dbraw/zinc/50/50/37/571505037.db2.gz	NRFLOGLIMJYIIX-VXJPNWOUSA-N	0	1	645.778	7.488	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150457457	571505058	/nfs/dbraw/zinc/50/50/58/571505058.db2.gz	VNVYFURFWXKENR-UGQRDJPYSA-N	0	1	677.848	8.358	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150458481	571505522	/nfs/dbraw/zinc/50/55/22/571505522.db2.gz	NCJXTFSZHJPPNU-UGQRDJPYSA-N	0	1	677.848	8.502	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150459199	571505685	/nfs/dbraw/zinc/50/56/85/571505685.db2.gz	HGKKTZNKTYTPJK-FZIYRNTBSA-N	0	1	634.179	7.222	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCCCC)c(OCC)c2)nc1C	ZINC000150459743	571505855	/nfs/dbraw/zinc/50/58/55/571505855.db2.gz	FAOJREGVWPWXOA-DFXXOVSGSA-N	0	1	648.734	6.160	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O	ZINC000150460504	571506065	/nfs/dbraw/zinc/50/60/65/571506065.db2.gz	XUHBUAZGIZRTQC-XYGUOAIHSA-N	0	1	627.900	6.376	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150460461	571506077	/nfs/dbraw/zinc/50/60/77/571506077.db2.gz	ALQKXVGNBJDBLA-HYVCFMKYSA-N	0	1	661.777	7.107	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000150460650	571506105	/nfs/dbraw/zinc/50/61/05/571506105.db2.gz	LXHVFFQYHQIHKY-PSPOUMMOSA-N	0	1	707.874	8.511	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O	ZINC000150460521	571506195	/nfs/dbraw/zinc/50/61/95/571506195.db2.gz	XUHBUAZGIZRTQC-RSERVXPISA-N	0	1	627.900	6.376	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000150461437	571506365	/nfs/dbraw/zinc/50/63/65/571506365.db2.gz	NWBXBFHSXWCVNY-WYNCGZBVSA-N	0	1	631.751	7.098	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150461046	571506375	/nfs/dbraw/zinc/50/63/75/571506375.db2.gz	DYYSCCKMEOSIMP-NNZNMFTDSA-N	0	1	649.794	7.722	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C	ZINC000150463337	571506895	/nfs/dbraw/zinc/50/68/95/571506895.db2.gz	JRXFWVPVMBRSDX-LHRXRZTBSA-N	0	1	641.496	5.221	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150463173	571506984	/nfs/dbraw/zinc/50/69/84/571506984.db2.gz	IDKBOMZMDYJKGY-QBCYBHDASA-N	0	1	662.233	7.858	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000150462875	571507035	/nfs/dbraw/zinc/50/70/35/571507035.db2.gz	ZVYZBUBZZSZXNM-QMNXYOJKSA-N	0	1	675.804	7.497	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150463170	571507059	/nfs/dbraw/zinc/50/70/59/571507059.db2.gz	IDKBOMZMDYJKGY-VXJPNWOUSA-N	0	1	662.233	7.858	50	30		KKEAMN
O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc2c1-c1c(cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc1[N+](=O)[O-])C2=NO	ZINC000150463508	571507259	/nfs/dbraw/zinc/50/72/59/571507259.db2.gz	MZISUJYKDZYSMI-UHFFFAOYSA-N	0	1	803.875	7.492	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000150463515	571507326	/nfs/dbraw/zinc/50/73/26/571507326.db2.gz	KLHFHAIGLXADFB-DNNDWWBDSA-N	0	1	645.778	7.344	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000150464431	571507635	/nfs/dbraw/zinc/50/76/35/571507635.db2.gz	UIGXRKOXTLMZAE-NYFCFKJUSA-N	0	1	712.677	8.274	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000150466144	571507920	/nfs/dbraw/zinc/50/79/20/571507920.db2.gz	MXAJRSUWDWHJCK-QJGFIUGVSA-N	0	1	645.778	7.488	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150467504	571508093	/nfs/dbraw/zinc/50/80/93/571508093.db2.gz	JKMPBZDLKOXVGM-CJJGVWJISA-N	0	1	668.580	7.100	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000150472709	571510184	/nfs/dbraw/zinc/51/01/84/571510184.db2.gz	JVGWSARPEKHLOS-FSISNWKMSA-N	0	1	628.534	7.226	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150476828	571511030	/nfs/dbraw/zinc/51/10/30/571511030.db2.gz	RFWJPSNBOKFQGD-DFXXOVSGSA-N	0	1	664.205	7.306	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150481234	571512460	/nfs/dbraw/zinc/51/24/60/571512460.db2.gz	KQLDPVDQRDSSCP-DFXXOVSGSA-N	0	1	698.650	8.104	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150486545	571516390	/nfs/dbraw/zinc/51/63/90/571516390.db2.gz	MMGBAGCJGIQDKJ-CZNAVJSXSA-N	0	1	636.151	6.670	50	30		KKEAMN
C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@]2(C)[C@H]1C[C@@H](C1=CCOC1=O)N1CCN(c2ccccc2F)CC1	ZINC000250604815	572259134	/nfs/dbraw/zinc/25/91/34/572259134.db2.gz	ANBNJZPPIQCICX-VOUORPSGSA-N	0	1	596.740	5.073	50	30		KKEAMN
CCCCN(CCCC)c1nc(N=NCc2cc([N+](=O)[O-])ccc2OC)nc(Nc2ccc([N+](=O)[O-])cc2)n1	ZINC000252597011	572267069	/nfs/dbraw/zinc/26/70/69/572267069.db2.gz	CNPSDLPQOXDCAB-UHFFFAOYSA-N	0	1	537.581	5.293	50	30		KKEAMN
CCCCC1SC(=NN=Cc2c(OS(=O)(=O)c3ccc(OCC)cc3)ccc3ccccc32)NC1=O	ZINC000252607023	572267888	/nfs/dbraw/zinc/26/78/88/572267888.db2.gz	GXPBRVXJTCFUET-DEOSSOPVSA-N	0	1	525.652	5.118	50	30		KKEAMN
Cc1cccc(Nc2nc(=NN=Cc3ccc(-c4cccc(Cl)c4)o3)nc(N3CCC(C)CC3)[nH]2)c1C	ZINC000252616629	572268670	/nfs/dbraw/zinc/26/86/70/572268670.db2.gz	KCGLRXRRTPXRLJ-UHFFFAOYSA-N	0	1	516.049	6.828	50	30		KKEAMN
O=C(CSc1nc2ccc(N=Cc3cc(Br)cc(Br)c3O)cc2s1)N1CCOCC1	ZINC000252616632	572268703	/nfs/dbraw/zinc/26/87/03/572268703.db2.gz	KCIUNFGJJYPVGL-UHFFFAOYSA-N	0	1	571.316	5.228	50	30		KKEAMN
Cc1ccc(Nc2nc(N=NCc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)nc(N3CCOCC3)n2)c(Br)c1	ZINC000252628737	572271052	/nfs/dbraw/zinc/27/10/52/572271052.db2.gz	SWNPBCRWJKWZDR-UHFFFAOYSA-N	0	1	613.860	5.790	50	30		KKEAMN
COc1ccc(-c2nc3cc(N=Cc4cc(Br)cc(Br)c4O)ccc3o2)cc1	ZINC000252638719	572272088	/nfs/dbraw/zinc/27/20/88/572272088.db2.gz	YEXKQIKMPVXETJ-UHFFFAOYSA-N	0	1	502.162	6.485	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000097969601	1069794881	/nfs/dbraw/zinc/79/48/81/1069794881.db2.gz	BRFMEESECJSUOT-JGCGQSQUSA-N	0	1	563.779	8.769	50	30		KKEAMN
O=C(/C(=C\c1cc(Br)cc(Br)c1O)c1nc2ccccc2s1)c1ccccc1	ZINC000102945393	1070982485	/nfs/dbraw/zinc/98/24/85/1070982485.db2.gz	ALSNOWCEDBEYMD-LFIBNONCSA-N	0	1	515.226	6.950	50	30		KKEAMN
O=C(/C=C\c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1)c1ccc(C2CCCCC2)cc1	ZINC000033778439	1071202144	/nfs/dbraw/zinc/20/21/44/1071202144.db2.gz	FPFGWASODAZYQR-LGMDPLHJSA-N	0	1	513.619	6.481	50	30		KKEAMN
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](OC(=O)[C@H](C)c1ccc(CC(C)C)cc1)c1ccnc2ccc(OC)cc21	ZINC000008431284	1071311107	/nfs/dbraw/zinc/31/11/07/1071311107.db2.gz	KHTBQXMEHFNCNM-LKQCQMFKSA-N	0	1	512.694	6.726	50	30		KKEAMN
CCCCCCCCCCCCCCC1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)NC1=O	ZINC000245263838	1072830291	/nfs/dbraw/zinc/83/02/91/1072830291.db2.gz	BEFRPVGUXAFEOW-MUUNZHRXSA-N	0	1	640.699	8.774	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000097969721	1072836836	/nfs/dbraw/zinc/83/68/36/1072836836.db2.gz	VMNCWBIHMALKFE-XIFFEERXSA-N	0	1	577.806	9.072	50	30		KKEAMN
COc1cc(C=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1OC(=O)c1cccnc1	ZINC000254351104	1072848906	/nfs/dbraw/zinc/84/89/06/1072848906.db2.gz	VXMAUGZHYLCJRR-UHFFFAOYSA-N	0	1	506.606	5.051	50	30		KKEAMN
COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2c(=O)n3cccc(C)c3nc2Nc2ccc(SC(F)F)cc2)cc1	ZINC000254485291	1072857721	/nfs/dbraw/zinc/85/77/21/1072857721.db2.gz	PDROOUDBVKNANS-UHFFFAOYSA-N	0	1	681.703	6.225	50	30		KKEAMN
COc1ccccc1NS(=O)(=O)c1ccc(NN=Cc2c(-c3ccccc3)nc3sccn23)c([N+](=O)[O-])c1	ZINC000254740304	1072874353	/nfs/dbraw/zinc/87/43/53/1072874353.db2.gz	ORTWJDVISHTBGZ-UHFFFAOYSA-N	0	1	548.606	5.226	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000000631134	551505068	/nfs/dbraw/zinc/50/50/68/551505068.db2.gz	XSWXZQIPVGUTQQ-LJQANCHMSA-N	0	1	512.971	5.073	50	30		KKEAMN
CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1	ZINC000000672218	551519419	/nfs/dbraw/zinc/51/94/19/551519419.db2.gz	IJBJLRXIGQWDIZ-UVMFRMCBSA-N	0	1	514.625	7.186	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3cccc([N+](=O)[O-])c3)C2)cc1OC	ZINC000000674203	551520919	/nfs/dbraw/zinc/52/09/19/551520919.db2.gz	FJUMWPFHGOCJKP-ACSYHNTCSA-N	0	1	513.550	5.533	50	30		KKEAMN
O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccc(Cl)cc1)C(F)(F)F	ZINC000000681833	551524760	/nfs/dbraw/zinc/52/47/60/551524760.db2.gz	BRHZQUUPHVDNJY-CRICUBBOSA-N	0	1	541.913	6.711	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC	ZINC000000702247	551529640	/nfs/dbraw/zinc/52/96/40/551529640.db2.gz	PVTSTXQJIOKOPS-PMERELPUSA-N	0	1	580.637	5.773	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1	ZINC000000702741	551529910	/nfs/dbraw/zinc/52/99/10/551529910.db2.gz	LSHVXYGVMNPRSV-RSXGOPAZSA-N	0	1	503.982	5.676	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000000702995	551530268	/nfs/dbraw/zinc/53/02/68/551530268.db2.gz	WIHZESCZGYXRMB-MHZLTWQESA-N	0	1	515.562	6.238	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000000703090	551530777	/nfs/dbraw/zinc/53/07/77/551530777.db2.gz	NRFBZUGEWRBMHJ-KEEVHDRGSA-N	0	1	551.595	5.969	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1	ZINC000000703177	551530955	/nfs/dbraw/zinc/53/09/55/551530955.db2.gz	ONWOSAATKMDHDT-UKPGIYTDSA-N	0	1	562.622	5.771	50	30		KKEAMN
COc1cccc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)c1	ZINC000000717151	551534670	/nfs/dbraw/zinc/53/46/70/551534670.db2.gz	JWGCCRBHNDZREE-HFJWLAOPSA-N	0	1	526.942	6.812	50	30		KKEAMN
COc1cccc([C@@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)c1	ZINC000000717149	551534680	/nfs/dbraw/zinc/53/46/80/551534680.db2.gz	JWGCCRBHNDZREE-WXTAPIANSA-N	0	1	526.942	6.812	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CC(C)C)[C@@H]3c3ccccc3Cl)C2)cc1	ZINC000000718148	551535177	/nfs/dbraw/zinc/53/51/77/551535177.db2.gz	VQMQBZHHGLPEHF-JCOAXYOVSA-N	0	1	515.053	7.295	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]3c2cccnc2)cc1	ZINC000000718157	551535201	/nfs/dbraw/zinc/53/52/01/551535201.db2.gz	MGPZATPNNPHAPT-NHRFMIRVSA-N	0	1	591.664	6.330	50	30		KKEAMN
COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2cccc(F)c2)cc(OC)c1OC	ZINC000000719679	551536089	/nfs/dbraw/zinc/53/60/89/551536089.db2.gz	ZDECLTXRBDGWQX-CRYYWNKWSA-N	0	1	570.539	6.314	50	30		KKEAMN
COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2cccc(F)c2)cc(OC)c1OC	ZINC000000719677	551536108	/nfs/dbraw/zinc/53/61/08/551536108.db2.gz	ZDECLTXRBDGWQX-XGCWNURASA-N	0	1	570.539	6.314	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccnc2)cc1	ZINC000000986545	551593104	/nfs/dbraw/zinc/59/31/04/551593104.db2.gz	DYGSCRGUUAAMON-XJFCNFDWSA-N	0	1	501.586	6.305	50	30		KKEAMN
CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000001003446	551596027	/nfs/dbraw/zinc/59/60/27/551596027.db2.gz	WKKKBWRMORZDQH-VKGTZQKMSA-N	0	1	501.970	6.559	50	30		KKEAMN
COc1cc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc(OC)c1OC	ZINC000001070638	551602580	/nfs/dbraw/zinc/60/25/80/551602580.db2.gz	WCEKOHGEXIYCLY-DNOBIOAJSA-N	0	1	552.549	6.175	50	30		KKEAMN
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC	ZINC000001077240	551604507	/nfs/dbraw/zinc/60/45/07/551604507.db2.gz	YPGWWTUKKRPLAV-YMGMXPECSA-N	0	1	531.565	5.696	50	30		KKEAMN
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OCC)c(O)c([N+](=O)[O-])c2)cc1OC	ZINC000001077434	551604914	/nfs/dbraw/zinc/60/49/14/551604914.db2.gz	GLNIPDWENLHMFW-YRVHBCJASA-N	0	1	545.592	6.086	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1	ZINC000001103842	551609482	/nfs/dbraw/zinc/60/94/82/551609482.db2.gz	HTVXAUMAKQLUOP-NDEPHWFRSA-N	0	1	540.572	5.752	50	30		KKEAMN
COc1cc([C@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc(OC)c1OC	ZINC000001251409	551632542	/nfs/dbraw/zinc/63/25/42/551632542.db2.gz	ZMMCEEQHVPVEIL-ICACTRECSA-N	0	1	554.687	6.930	50	30		KKEAMN
Cc1ccc2c(c1)N(C(=O)c1cccs1)[C@@H](c1ccc(F)cc1)C1C(=O)C[C@H](c3ccccc3)CC1=N2	ZINC000001268895	551634436	/nfs/dbraw/zinc/63/44/36/551634436.db2.gz	OTKRUQXKDGIMET-RCRUUEGKSA-N	0	1	508.618	7.410	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2ccc(OC)c(OC)c2)cc1	ZINC000001303163	551638472	/nfs/dbraw/zinc/63/84/72/551638472.db2.gz	LYYYXIWLMVGEQO-WHLCRQNOSA-N	0	1	552.549	6.175	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1OC	ZINC000001409626	551664195	/nfs/dbraw/zinc/66/41/95/551664195.db2.gz	KFGVICPIJUBQSK-UVMFRMCBSA-N	0	1	544.651	7.227	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000001411056	551664775	/nfs/dbraw/zinc/66/47/75/551664775.db2.gz	JHAQLRSDADQRDK-MUUNZHRXSA-N	0	1	510.590	5.786	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1OC	ZINC000001413425	551665507	/nfs/dbraw/zinc/66/55/07/551665507.db2.gz	MFCQDXZQTLUNGN-AREMUKBSSA-N	0	1	561.432	5.769	50	30		KKEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c1	ZINC000001413478	551665809	/nfs/dbraw/zinc/66/58/09/551665809.db2.gz	PQJBXOUHDPELIS-SANMLTNESA-N	0	1	516.981	5.660	50	30		KKEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccccn1	ZINC000001413438	551665826	/nfs/dbraw/zinc/66/58/26/551665826.db2.gz	BTIOVILZAQQGLL-QHCPKHFHSA-N	0	1	502.368	5.146	50	30		KKEAMN
O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(Br)c1	ZINC000001413464	551665832	/nfs/dbraw/zinc/66/58/32/551665832.db2.gz	PJOXGDLTUCXJAR-DEOSSOPVSA-N	0	1	519.370	5.891	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1OC	ZINC000001413452	551665868	/nfs/dbraw/zinc/66/58/68/551665868.db2.gz	CRYVFABRJQAAKJ-SANMLTNESA-N	0	1	500.526	5.145	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000001450605	551675583	/nfs/dbraw/zinc/67/55/83/551675583.db2.gz	PYIIPDYLNWEYOD-HXUWFJFHSA-N	0	1	509.381	5.997	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000001451434	551676011	/nfs/dbraw/zinc/67/60/11/551676011.db2.gz	JRUDHPHKGXFBGV-NRFANRHFSA-N	0	1	523.408	6.306	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000001451685	551676368	/nfs/dbraw/zinc/67/63/68/551676368.db2.gz	QJLWBUDECCDTNM-XMMPIXPASA-N	0	1	534.565	5.634	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]3c2cccs2)cc1	ZINC000001453814	551676506	/nfs/dbraw/zinc/67/65/06/551676506.db2.gz	FHAAAGBQBBZVLT-MNAQKMTRSA-N	0	1	596.705	6.997	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1	ZINC000001480154	551681633	/nfs/dbraw/zinc/68/16/33/551681633.db2.gz	XQXSLEDQEKHJCO-QFIPXVFZSA-N	0	1	536.993	5.758	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000001480868	551682181	/nfs/dbraw/zinc/68/21/81/551682181.db2.gz	UJXHWGZSQQIENN-DEOSSOPVSA-N	0	1	534.565	5.634	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc(Br)c1)c1ccc(Br)cc1	ZINC000001481237	551682256	/nfs/dbraw/zinc/68/22/56/551682256.db2.gz	PTAYNRRUSPDBLB-MRXNPFEDSA-N	0	1	520.202	5.451	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000001482368	551682956	/nfs/dbraw/zinc/68/29/56/551682956.db2.gz	DMCFDLVOMBGZMH-DEOSSOPVSA-N	0	1	534.565	5.634	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1	ZINC000001740140	551691472	/nfs/dbraw/zinc/69/14/72/551691472.db2.gz	KSOBETNRXXAWKW-PMERELPUSA-N	0	1	533.580	5.815	50	30		KKEAMN
Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1cc(Br)cc(Br)c1O	ZINC000001921030	551734549	/nfs/dbraw/zinc/73/45/49/551734549.db2.gz	RBTZWMTYDWFWHN-KIBLKLHPSA-N	0	1	520.608	7.438	50	30		KKEAMN
COc1ccc(-c2nc3cc(C)ccc3o2)cc1/N=C/c1cc(Br)cc(Br)c1O	ZINC000001951568	551735364	/nfs/dbraw/zinc/73/53/64/551735364.db2.gz	QVNSYWRBSIXAIU-OPEKNORGSA-N	0	1	516.189	6.793	50	30		KKEAMN
CCOc1cc(/C=N/c2ccc(O)c(-c3nc4ccccc4s3)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000002069971	551746672	/nfs/dbraw/zinc/74/66/72/551746672.db2.gz	JIVKQYLWNNBOQS-MUFRIFMGSA-N	0	1	556.556	7.427	50	30		KKEAMN
C[C@]1(c2cccc([N+](=O)[O-])c2)Nc2ccccc2C(=O)N1/N=C/c1cc(Br)cc(Br)c1O	ZINC000002188434	551788431	/nfs/dbraw/zinc/78/84/31/551788431.db2.gz	RWVAAUQAHSQQJX-RVRSLOCESA-N	0	1	560.202	5.600	50	30		KKEAMN
COc1ccc(Cl)cc1NC(=Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1)NC(=O)c1ccccc1	ZINC000002594498	552134053	/nfs/dbraw/zinc/13/40/53/552134053.db2.gz	ONMHNTTZPXYQOY-UHFFFAOYSA-N	0	1	554.459	5.907	50	30		KKEAMN
Cc1c(Cl)c(C)c(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c(O)c1Br	ZINC000003066603	552285018	/nfs/dbraw/zinc/28/50/18/552285018.db2.gz	JUZBJCNNVIMMJQ-OXUBWTJQSA-N	0	1	524.629	8.291	50	30		KKEAMN
Cc1ccc2nc(-c3cc(/N=C/c4c(C)c(Cl)c(C)c(Br)c4O)ccc3Cl)oc2c1	ZINC000003114197	552290054	/nfs/dbraw/zinc/29/00/54/552290054.db2.gz	IPRLZENFEMEKHW-YPXUMCKCSA-N	0	1	504.211	7.946	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000003772236	552417832	/nfs/dbraw/zinc/41/78/32/552417832.db2.gz	LFDZYHZYPREMLE-WNSROMTISA-N	0	1	588.714	9.484	50	30		KKEAMN
O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(N=Cc5ccccc5O)cc4)cc3[nH]2)cc1)c1ccc(N=Cc2ccccc2O)cc1	ZINC000004017877	552428886	/nfs/dbraw/zinc/42/88/86/552428886.db2.gz	XDDZWSRKPABJAJ-FFVIWPAXSA-N	0	1	670.729	8.647	50	30		KKEAMN
O=C(CSc1nc2ccc(/N=C/c3cc(I)cc(I)c3O)cc2s1)NCCc1ccccc1	ZINC000004109549	552437893	/nfs/dbraw/zinc/43/78/93/552437893.db2.gz	CDFXGNVOMLYKIM-XODNFHPESA-N	0	1	699.377	6.413	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1	ZINC000004624929	552469161	/nfs/dbraw/zinc/46/91/61/552469161.db2.gz	PWGOUDSTFIMIRN-HKBQPEDESA-N	0	1	529.592	6.833	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(Br)c1)c1ccc(Br)cc1	ZINC000004635177	552469474	/nfs/dbraw/zinc/46/94/74/552469474.db2.gz	UFNXSJWHMGAORL-XMMPIXPASA-N	0	1	580.276	6.514	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(Br)cc1)c1ccc(Br)cc1	ZINC000004635167	552469517	/nfs/dbraw/zinc/46/95/17/552469517.db2.gz	NKFXRCAPQBJSLU-XMMPIXPASA-N	0	1	580.276	6.514	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1	ZINC000004641084	552470020	/nfs/dbraw/zinc/47/00/20/552470020.db2.gz	BVNWDXZYJLPNQO-HHHXNRCGSA-N	0	1	513.037	6.940	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000005355597	552499013	/nfs/dbraw/zinc/49/90/13/552499013.db2.gz	FRGGTRBJECFARK-RUZDIDTESA-N	0	1	578.687	6.297	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000005918665	552511623	/nfs/dbraw/zinc/51/16/23/552511623.db2.gz	CPWXMAVLODQFDH-HSZRJFAPSA-N	0	1	566.632	5.217	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000005918806	552511990	/nfs/dbraw/zinc/51/19/90/552511990.db2.gz	VXJKOMADERUPBC-XRHLQHRESA-N	0	1	517.578	5.569	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000005919198	552512342	/nfs/dbraw/zinc/51/23/42/552512342.db2.gz	VPMOTLDERGMULN-VWLOTQADSA-N	0	1	578.687	6.297	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1	ZINC000005919193	552512439	/nfs/dbraw/zinc/51/24/39/552512439.db2.gz	YENSGDCFDIQIDN-DEOSSOPVSA-N	0	1	564.660	5.907	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2ccncc2)cc1	ZINC000005944490	552514620	/nfs/dbraw/zinc/51/46/20/552514620.db2.gz	NADIXNQVDDVWMY-NYFMKLKXSA-N	0	1	527.668	7.594	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1	ZINC000005944498	552514652	/nfs/dbraw/zinc/51/46/52/552514652.db2.gz	VTGSPUMAADDXIP-FWUCURJTSA-N	0	1	558.644	8.314	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2ccncc2)cc1	ZINC000005944496	552514704	/nfs/dbraw/zinc/51/47/04/552514704.db2.gz	NADIXNQVDDVWMY-UTONBFNKSA-N	0	1	527.668	7.594	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2ccncc2)cc1	ZINC000005944508	552514724	/nfs/dbraw/zinc/51/47/24/552514724.db2.gz	NADIXNQVDDVWMY-OOOSNSGVSA-N	0	1	527.668	7.594	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1	ZINC000006445381	552587665	/nfs/dbraw/zinc/58/76/65/552587665.db2.gz	MDGKUTLYHFQUEX-FQEVSTJZSA-N	0	1	536.731	6.904	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000008383428	552986457	/nfs/dbraw/zinc/98/64/57/552986457.db2.gz	OKRRPCFPUIIMIF-MHZLTWQESA-N	0	1	632.163	8.192	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000008383427	552986566	/nfs/dbraw/zinc/98/65/66/552986566.db2.gz	OKRRPCFPUIIMIF-HHHXNRCGSA-N	0	1	632.163	8.192	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OC	ZINC000008383458	552986803	/nfs/dbraw/zinc/98/68/03/552986803.db2.gz	ZWILMJBEOCXOMT-AREMUKBSSA-N	0	1	617.680	6.906	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(C(C)C)cc3)s2)cc1	ZINC000008384010	552988746	/nfs/dbraw/zinc/98/87/46/552988746.db2.gz	ONBSTHHNWJIZGF-HHHXNRCGSA-N	0	1	581.719	7.791	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1O	ZINC000008384077	552988813	/nfs/dbraw/zinc/98/88/13/552988813.db2.gz	ZTNRIATZYPCUQH-VWLOTQADSA-N	0	1	620.108	7.117	50	30		KKEAMN
CCN(CC)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1	ZINC000008384793	552990066	/nfs/dbraw/zinc/99/00/66/552990066.db2.gz	JMJUELIXBYXLOR-JGCGQSQUSA-N	0	1	507.678	6.919	50	30		KKEAMN
Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2/C=N/c2nc3ccccc3n2Cc2ccccc2)cc1	ZINC000008399109	553000296	/nfs/dbraw/zinc/00/02/96/553000296.db2.gz	WOCMZYJDIZHCEO-RDRPBHBLSA-N	0	1	525.590	5.853	50	30		KKEAMN
CCCCC1S/C(=N/N=C/c2cc(C)ccc2OS(=O)(=O)c2cc(Br)ccc2Br)NC1=O	ZINC000008400511	553004723	/nfs/dbraw/zinc/00/47/23/553004723.db2.gz	XWJCFEYDAIPLBZ-SZMVHAFZSA-N	0	1	603.358	5.399	50	30		KKEAMN
Cc1cccc(NC(=O)CSc2nc(C)c(C=C(O)c3ccc(Br)cc3)c(C)c2C#N)c1C	ZINC000008416428	553012256	/nfs/dbraw/zinc/01/22/56/553012256.db2.gz	SLQQEMUKTPBLMH-UHFFFAOYSA-N	0	1	522.468	6.106	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@@H](c4cccc(F)c4)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000008433083	553028014	/nfs/dbraw/zinc/02/80/14/553028014.db2.gz	OXHAKRSVPWRXSM-KCEHZKJRSA-N	0	1	587.478	8.356	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000008433090	553028017	/nfs/dbraw/zinc/02/80/17/553028017.db2.gz	GYJZENLFTVUQFY-HZAQMHFWSA-N	0	1	590.532	8.670	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	ZINC000008440649	553038221	/nfs/dbraw/zinc/03/82/21/553038221.db2.gz	PRDNVQXFLDZIEX-MHZLTWQESA-N	0	1	535.568	5.037	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1	ZINC000008440831	553038736	/nfs/dbraw/zinc/03/87/36/553038736.db2.gz	PLHNTQXRPRUIKY-SANMLTNESA-N	0	1	544.401	6.400	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000008441226	553040054	/nfs/dbraw/zinc/04/00/54/553040054.db2.gz	MUJFCCUJMRIPPP-LJAQVGFWSA-N	0	1	617.708	8.152	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(C[C@@H]4CCCO4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000008441473	553040962	/nfs/dbraw/zinc/04/09/62/553040962.db2.gz	NKVCWTQAJXLLBS-LFQQERRSSA-N	0	1	525.601	5.346	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3cccs3)sc2c1	ZINC000008441747	553042171	/nfs/dbraw/zinc/04/21/71/553042171.db2.gz	JAVBZXOIYYCHAM-QFIPXVFZSA-N	0	1	502.573	6.286	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000008441742	553042248	/nfs/dbraw/zinc/04/22/48/553042248.db2.gz	NWKJHYWXSBMUFL-XMMPIXPASA-N	0	1	575.440	6.987	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000008441791	553042316	/nfs/dbraw/zinc/04/23/16/553042316.db2.gz	VHMGFMOLLAKZNJ-PMERELPUSA-N	0	1	631.735	8.078	50	30		KKEAMN
CCCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1OC	ZINC000008443986	553048853	/nfs/dbraw/zinc/04/88/53/553048853.db2.gz	RTQRCAQTOGGVMY-DEOSSOPVSA-N	0	1	502.533	6.189	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccc(OC)cc1	ZINC000008445056	553052909	/nfs/dbraw/zinc/05/29/09/553052909.db2.gz	CUUBOOGZSDIXGV-JPQMRUPTSA-N	0	1	539.632	7.084	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@@H](c4cccc([N+](=O)[O-])c4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000008445100	553053126	/nfs/dbraw/zinc/05/31/26/553053126.db2.gz	WNQZKLOIWQPZNA-QNLPTKCRSA-N	0	1	545.595	6.818	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000008445108	553053181	/nfs/dbraw/zinc/05/31/81/553053181.db2.gz	WDTNHCDLAXJEON-PVAZPRTOSA-N	0	1	569.658	7.093	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000008445133	553053405	/nfs/dbraw/zinc/05/34/05/553053405.db2.gz	PLUWBBVOAUSTMD-WKRVVKTRSA-N	0	1	544.051	7.729	50	30		KKEAMN
O=C(c1ccccc1)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000008450853	553059454	/nfs/dbraw/zinc/05/94/54/553059454.db2.gz	TYEXOVCCGDDLER-SLGOVJDISA-N	0	1	550.014	7.463	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000008450862	553059497	/nfs/dbraw/zinc/05/94/97/553059497.db2.gz	ZQFLMJNTMHUAJG-UGDMGKLASA-N	0	1	544.051	7.729	50	30		KKEAMN
Cc1cccc(C)c1OCCOc1c(Cl)cc(Cl)cc1C=NN=c1nc(N2CCCC2)[nH]c(N2CCCC2)n1	ZINC000008492908	553076052	/nfs/dbraw/zinc/07/60/52/553076052.db2.gz	HUZBPJMSJFGEOX-FDAWAROLSA-N	0	1	570.525	5.899	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000008695573	553122171	/nfs/dbraw/zinc/12/21/71/553122171.db2.gz	CQCWNWDQEVCYEO-JPZYQRIQSA-N	0	1	533.499	8.474	50	30		KKEAMN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2cccc(Cl)c2)cc1	ZINC000008695597	553122185	/nfs/dbraw/zinc/12/21/85/553122185.db2.gz	FBDPOSQCOIOTCW-BCHFMIIMSA-N	0	1	510.943	7.111	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000008766790	553139080	/nfs/dbraw/zinc/13/90/80/553139080.db2.gz	FPEQESNVIKODGI-AFJIDDCJSA-N	0	1	520.551	7.025	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c(OC)c1	ZINC000008775575	553142270	/nfs/dbraw/zinc/14/22/70/553142270.db2.gz	HRXWHOWQWBBGOL-SANMLTNESA-N	0	1	561.432	5.769	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(OC)cc2OC)cc1	ZINC000008775469	553142365	/nfs/dbraw/zinc/14/23/65/553142365.db2.gz	VAMFYWOANXSMAH-MHZLTWQESA-N	0	1	512.562	5.015	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)C1	ZINC000008817464	553152821	/nfs/dbraw/zinc/15/28/21/553152821.db2.gz	FYPDESGCYYHYTM-AREMUKBSSA-N	0	1	501.424	6.906	50	30		KKEAMN
CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC(C)C)cc2)cc1	ZINC000008836038	553162986	/nfs/dbraw/zinc/16/29/86/553162986.db2.gz	MRASOZFGYHVTLC-AREMUKBSSA-N	0	1	503.599	5.126	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000008837623	553164394	/nfs/dbraw/zinc/16/43/94/553164394.db2.gz	QKHXDBCNFADIJH-HSZRJFAPSA-N	0	1	504.539	5.626	50	30		KKEAMN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(F)c2)cc1Br	ZINC000008846447	553166364	/nfs/dbraw/zinc/16/63/64/553166364.db2.gz	FLCRMGKKLKMMAE-NRFANRHFSA-N	0	1	500.751	6.333	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccco3)C2)cc1	ZINC000008846683	553166582	/nfs/dbraw/zinc/16/65/82/553166582.db2.gz	YXJBVGKGKIRLFE-QYBDOPJKSA-N	0	1	508.540	7.040	50	30		KKEAMN
CCCCCCCCCCCCCCCCOC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)NC	ZINC000008860526	553170135	/nfs/dbraw/zinc/17/01/35/553170135.db2.gz	FNFHZBKBDFRYHS-RUZDIDTESA-O	0	1	539.715	6.049	50	30	in-vitro	KKEAMN
Clc1ccc(Cl)c(-c2ccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCCCC4)n3)o2)c1	ZINC000008872365	553173357	/nfs/dbraw/zinc/17/33/57/553173357.db2.gz	PITNATSLHSMLLJ-LQKURTRISA-N	0	1	508.413	6.618	50	30		KKEAMN
O=[N+]([O-])c1ccc(Nc2nc(=NN=Cc3c(Cl)cccc3Cl)nc(N3CCCCCC3)[nH]2)cc1	ZINC000008872914	553174308	/nfs/dbraw/zinc/17/43/08/553174308.db2.gz	RNRJNVXAHODQQH-QFEZKATASA-N	0	1	501.378	5.657	50	30		KKEAMN
Cc1cccc(Nc2nc(N=NCc3cc(Br)cc(Br)c3O)nc(N3CCC(C)CC3)n2)c1C	ZINC000008872986	553174633	/nfs/dbraw/zinc/17/46/33/553174633.db2.gz	FYSOOKFDAWPMSG-UVHMKAGCSA-N	0	1	589.336	6.145	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000008894384	553177573	/nfs/dbraw/zinc/17/75/73/553177573.db2.gz	FZQOEOXYEJCOAA-QFIPXVFZSA-N	0	1	503.511	5.689	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000008904393	553183435	/nfs/dbraw/zinc/18/34/35/553183435.db2.gz	IWDIHSWTLBPWGB-JOCHJYFZSA-N	0	1	520.538	5.244	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2)cc1	ZINC000008919180	553188802	/nfs/dbraw/zinc/18/88/02/553188802.db2.gz	PJASOWRYNXOEHB-NRFANRHFSA-N	0	1	506.580	5.200	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000008964767	553194782	/nfs/dbraw/zinc/19/47/82/553194782.db2.gz	ZOOAIEZLCAMZFL-SMSORMJASA-N	0	1	510.590	5.792	50	30	biogenic	KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000008996334	553197219	/nfs/dbraw/zinc/19/72/19/553197219.db2.gz	IYNKPAUQZKNDSZ-LJAQVGFWSA-N	0	1	526.633	5.279	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000008996645	553197435	/nfs/dbraw/zinc/19/74/35/553197435.db2.gz	UVKBCMFSKSCPOC-QFIPXVFZSA-N	0	1	502.548	5.330	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccc(C(C)(C)C)cc3)cc2)c1	ZINC000008996947	553197461	/nfs/dbraw/zinc/19/74/61/553197461.db2.gz	MRUNBSZOORKYJQ-LJAQVGFWSA-N	0	1	526.677	6.011	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000009042985	553202908	/nfs/dbraw/zinc/20/29/08/553202908.db2.gz	SVQZMNGXLYOHDQ-HMILPKGGSA-N	0	1	501.970	6.559	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000009045722	553203601	/nfs/dbraw/zinc/20/36/01/553203601.db2.gz	ZEYUGEDCKDKTHF-QHCPKHFHSA-N	0	1	520.538	5.244	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Cl)cc1	ZINC000009046749	553204234	/nfs/dbraw/zinc/20/42/34/553204234.db2.gz	XLRHLBKFZWSVQR-AREMUKBSSA-N	0	1	505.014	5.367	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Cl)cc1	ZINC000009046749	553204236	/nfs/dbraw/zinc/20/42/36/553204236.db2.gz	XLRHLBKFZWSVQR-AREMUKBSSA-N	0	1	505.014	5.367	50	30		KKEAMN
Cc1cc(OC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000009086099	553208321	/nfs/dbraw/zinc/20/83/21/553208321.db2.gz	QHVFGRNHICHHAN-XMMPIXPASA-N	0	1	511.405	6.263	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000009110413	553210000	/nfs/dbraw/zinc/21/00/00/553210000.db2.gz	KVGYXAFVDDITRO-HXUWFJFHSA-N	0	1	502.286	6.251	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@H]2c2ccc(C(F)(F)F)cc2)C1	ZINC000009183476	553216819	/nfs/dbraw/zinc/21/68/19/553216819.db2.gz	RCQIMLFWBFTYMJ-NDEPHWFRSA-N	0	1	504.552	7.091	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1	ZINC000009185007	553217081	/nfs/dbraw/zinc/21/70/81/553217081.db2.gz	UCBQZXLOQCZLJD-QFIPXVFZSA-N	0	1	506.605	5.938	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000009233762	553224547	/nfs/dbraw/zinc/22/45/47/553224547.db2.gz	ALYUYYKIQOZLFI-SMSORMJASA-N	0	1	512.606	6.547	50	30	biogenic	KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3OC)sc2c1	ZINC000009236344	553225618	/nfs/dbraw/zinc/22/56/18/553225618.db2.gz	UNCBWENEEHWTPI-HSZRJFAPSA-N	0	1	504.539	5.626	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC	ZINC000009242953	553226578	/nfs/dbraw/zinc/22/65/78/553226578.db2.gz	HQQIDDBYXZZMJZ-RUZDIDTESA-N	0	1	506.555	5.352	50	30		KKEAMN
Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009264223	553228674	/nfs/dbraw/zinc/22/86/74/553228674.db2.gz	DTELUVMJNCSDBY-CHJDUVSTSA-N	0	1	509.005	7.456	50	30		KKEAMN
O=C(Cc1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000009264231	553228796	/nfs/dbraw/zinc/22/87/96/553228796.db2.gz	JHOCRMSNPIMRPL-XBBWARJSSA-N	0	1	515.034	7.138	50	30		KKEAMN
O=C(Cc1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000009264235	553228807	/nfs/dbraw/zinc/22/88/07/553228807.db2.gz	JHOCRMSNPIMRPL-ADXZGYQBSA-N	0	1	515.034	7.138	50	30		KKEAMN
O=C(NC1CCCCC1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000009264238	553228812	/nfs/dbraw/zinc/22/88/12/553228812.db2.gz	YZIKHBBHZKJNKV-OLILMLBXSA-N	0	1	516.041	7.349	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C	ZINC000009271210	553230626	/nfs/dbraw/zinc/23/06/26/553230626.db2.gz	PACFMJLCKKCILH-HSZRJFAPSA-N	0	1	505.442	5.621	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C	ZINC000009271210	553230628	/nfs/dbraw/zinc/23/06/28/553230628.db2.gz	PACFMJLCKKCILH-HSZRJFAPSA-N	0	1	505.442	5.621	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCC)cc2)cc1C	ZINC000009272571	553231807	/nfs/dbraw/zinc/23/18/07/553231807.db2.gz	HLXOIFJREAYXOJ-MHZLTWQESA-N	0	1	500.595	5.746	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)ccc1O	ZINC000009272378	553231810	/nfs/dbraw/zinc/23/18/10/553231810.db2.gz	KFTIUQQUROWIGW-OAQYLSRUSA-N	0	1	503.860	5.856	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000009273783	553232247	/nfs/dbraw/zinc/23/22/47/553232247.db2.gz	VXHUSKUJVFZHNI-HSZRJFAPSA-N	0	1	520.563	5.397	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000009280159	553232849	/nfs/dbraw/zinc/23/28/49/553232849.db2.gz	GSKVOQPNQDWYLT-IBGZPJMESA-N	0	1	511.353	5.443	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)o1	ZINC000009280257	553233060	/nfs/dbraw/zinc/23/30/60/553233060.db2.gz	FDOBFKVFDRBCGI-IBGZPJMESA-N	0	1	513.344	5.882	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1	ZINC000009280175	553233092	/nfs/dbraw/zinc/23/30/92/553233092.db2.gz	QZWWASUOQJYBOH-XMMPIXPASA-N	0	1	518.566	6.016	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccnc3)ccc2O1	ZINC000009291561	553234662	/nfs/dbraw/zinc/23/46/62/553234662.db2.gz	KKGLGKATUPPIHV-MCMMXHMISA-N	0	1	503.967	5.451	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000009292794	553235153	/nfs/dbraw/zinc/23/51/53/553235153.db2.gz	CIZDZDPOHMSWPQ-LYZGTLIUSA-N	0	1	529.637	5.444	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000009312553	553240498	/nfs/dbraw/zinc/24/04/98/553240498.db2.gz	KZRRNYMPRMYZMZ-LGGPFLRQSA-N	0	1	511.618	6.010	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)cc1OCC	ZINC000009313133	553240988	/nfs/dbraw/zinc/24/09/88/553240988.db2.gz	DUXFRUFYODTBKZ-WINIVTDRSA-N	0	1	523.626	5.202	50	30		KKEAMN
CCCOc1ccccc1[C@@H]1C2=C(C[C@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)CC	ZINC000009327507	553241735	/nfs/dbraw/zinc/24/17/35/553241735.db2.gz	FERUFQUYQKNRQF-GHRAFVERSA-N	0	1	510.634	6.795	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000009328398	553241996	/nfs/dbraw/zinc/24/19/96/553241996.db2.gz	ONHMBDJMPCJCBB-NPMXOYFQSA-N	0	1	512.393	5.182	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000009328949	553242021	/nfs/dbraw/zinc/24/20/21/553242021.db2.gz	AJWUGSWPBSUULJ-VKGTZQKMSA-N	0	1	531.605	5.959	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000009328962	553242156	/nfs/dbraw/zinc/24/21/56/553242156.db2.gz	PBRGMDQWCDQTMI-DEOSSOPVSA-N	0	1	510.373	5.586	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000009329165	553242296	/nfs/dbraw/zinc/24/22/96/553242296.db2.gz	PAZMPQYNDRAPPJ-SANMLTNESA-N	0	1	503.551	5.254	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000009329429	553242439	/nfs/dbraw/zinc/24/24/39/553242439.db2.gz	PRLIEDLPRWOWBR-QKVFXAPYSA-N	0	1	508.983	5.414	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000009339624	553243663	/nfs/dbraw/zinc/24/36/63/553243663.db2.gz	ZWEJXLHRCSCSDE-HSZRJFAPSA-N	0	1	506.530	6.146	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000009357998	553247205	/nfs/dbraw/zinc/24/72/05/553247205.db2.gz	VZUNBCUNPLCRAE-QGZVFWFLSA-N	0	1	503.363	5.328	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000009358974	553247688	/nfs/dbraw/zinc/24/76/88/553247688.db2.gz	PCZGTWUTYXNQRJ-DCFHFQCYSA-N	0	1	515.610	5.054	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000009359978	553248194	/nfs/dbraw/zinc/24/81/94/553248194.db2.gz	RFPRMVCLFHDUFW-RBTNQOKQSA-N	0	1	529.637	5.300	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000009359966	553248259	/nfs/dbraw/zinc/24/82/59/553248259.db2.gz	RFPRMVCLFHDUFW-PIKZIKFNSA-N	0	1	529.637	5.300	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000009374339	553250678	/nfs/dbraw/zinc/25/06/78/553250678.db2.gz	KMCSIUWOIDKXID-GDLZYMKVSA-N	0	1	527.661	6.486	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OCc2ccccc2)c1	ZINC000009374587	553250900	/nfs/dbraw/zinc/25/09/00/553250900.db2.gz	SEHOZOUHLMOGPG-NGOKVRLYSA-N	0	1	513.590	5.204	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OCc2ccccc2)c1	ZINC000009374594	553250961	/nfs/dbraw/zinc/25/09/61/553250961.db2.gz	SEHOZOUHLMOGPG-WTYVLRPYSA-N	0	1	513.590	5.204	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC	ZINC000009375158	553251068	/nfs/dbraw/zinc/25/10/68/553251068.db2.gz	ZUQUDOKARGJMAK-XMMPIXPASA-N	0	1	510.974	5.997	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C	ZINC000009379836	553251597	/nfs/dbraw/zinc/25/15/97/553251597.db2.gz	RRHDTTDDLBKSSI-VWLOTQADSA-N	0	1	525.432	6.654	50	30		KKEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000009380661	553251980	/nfs/dbraw/zinc/25/19/80/553251980.db2.gz	WSUPFIMVJCUUKK-MUUNZHRXSA-N	0	1	515.606	6.047	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccs3)ccc2O1	ZINC000009403676	553255385	/nfs/dbraw/zinc/25/53/85/553255385.db2.gz	LIGUEBHFSASPQI-LAJNKCICSA-N	0	1	509.008	6.118	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000009424562	553258676	/nfs/dbraw/zinc/25/86/76/553258676.db2.gz	YQXCDQGBYUELID-FQEVSTJZSA-N	0	1	502.832	6.050	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000009424994	553259073	/nfs/dbraw/zinc/25/90/73/553259073.db2.gz	WYPQMFIZGKUXSP-WRONEBCDSA-N	0	1	527.617	5.628	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000009425102	553259098	/nfs/dbraw/zinc/25/90/98/553259098.db2.gz	KLVPRRVXCAGRGY-NGOKVRLYSA-N	0	1	512.606	5.753	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000009425101	553259106	/nfs/dbraw/zinc/25/91/06/553259106.db2.gz	KLVPRRVXCAGRGY-PIIWDFAUSA-N	0	1	512.606	5.753	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1	ZINC000009436625	553264560	/nfs/dbraw/zinc/26/45/60/553264560.db2.gz	MNOHKPKIHOKOJW-WTYVLRPYSA-N	0	1	512.606	5.608	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1	ZINC000009451746	553265946	/nfs/dbraw/zinc/26/59/46/553265946.db2.gz	GFQCIVYTSJTUPH-RUZDIDTESA-N	0	1	500.507	5.255	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000009456219	553266291	/nfs/dbraw/zinc/26/62/91/553266291.db2.gz	CMBBNRODGYNAHE-MHZLTWQESA-N	0	1	515.562	5.034	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000009458899	553266554	/nfs/dbraw/zinc/26/65/54/553266554.db2.gz	FSVGKRZZYGNFSX-AREMUKBSSA-N	0	1	503.551	5.398	50	30		KKEAMN
CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009460754	553266880	/nfs/dbraw/zinc/26/68/80/553266880.db2.gz	TUEBYJCUQLHTNU-QFIPXVFZSA-N	0	1	510.771	6.088	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000009460955	553267123	/nfs/dbraw/zinc/26/71/23/553267123.db2.gz	HQPFCDMDTZXJNC-LJAQVGFWSA-N	0	1	520.585	5.756	50	30		KKEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000009461051	553267194	/nfs/dbraw/zinc/26/71/94/553267194.db2.gz	POXVOYCOMIKDFQ-MUUNZHRXSA-N	0	1	513.634	6.096	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000009460941	553267210	/nfs/dbraw/zinc/26/72/10/553267210.db2.gz	YIMUDZTWIAUXQA-HXUWFJFHSA-N	0	1	513.384	5.305	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccccc3F)cc2)c1	ZINC000009461086	553267325	/nfs/dbraw/zinc/26/73/25/553267325.db2.gz	IPZJIBMCMYGHLI-MUUNZHRXSA-N	0	1	508.549	5.887	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(O)c3)cc2)c1	ZINC000009461425	553267527	/nfs/dbraw/zinc/26/75/27/553267527.db2.gz	KFJZVELZHGXOPC-MUUNZHRXSA-N	0	1	523.589	5.145	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(OC)cc1	ZINC000009461471	553267603	/nfs/dbraw/zinc/26/76/03/553267603.db2.gz	CTWDGIASYWCGEC-HHHXNRCGSA-N	0	1	501.579	5.197	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccco2)ccc1O	ZINC000009463103	553268662	/nfs/dbraw/zinc/26/86/62/553268662.db2.gz	KVWVFLACVYFKSI-MUUNZHRXSA-N	0	1	525.557	5.660	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(O)c3)cc2)c1	ZINC000009463122	553268667	/nfs/dbraw/zinc/26/86/67/553268667.db2.gz	IBFIKLNAMVDATB-MUUNZHRXSA-N	0	1	506.558	5.453	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1	ZINC000009463553	553269174	/nfs/dbraw/zinc/26/91/74/553269174.db2.gz	ARQHVLPKOQRZIF-NDEPHWFRSA-N	0	1	513.590	5.805	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(Br)c3)ccc2O1	ZINC000009471304	553269938	/nfs/dbraw/zinc/26/99/38/553269938.db2.gz	FCNPNBAMKVZKPD-NSYGIPOTSA-N	0	1	518.407	5.594	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCOC)cc1OC	ZINC000009477479	553272462	/nfs/dbraw/zinc/27/24/62/553272462.db2.gz	HOUSFGURZSAJLA-MUUNZHRXSA-N	0	1	531.605	5.206	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc(F)c2)cc1	ZINC000009553341	553278380	/nfs/dbraw/zinc/27/83/80/553278380.db2.gz	FEKWHYGUYGLAEW-BNHRFMORSA-N	0	1	518.588	7.049	50	30		KKEAMN
CCCCCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000009849820	553312423	/nfs/dbraw/zinc/31/24/23/553312423.db2.gz	CGDXRXBDSHGPEJ-NFMXCSJRSA-N	0	1	501.652	6.811	50	30		KKEAMN
O=C(NCc1ccco1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000012652315	553409756	/nfs/dbraw/zinc/40/97/56/553409756.db2.gz	VYTDSNHQXABWSQ-VKGTZQKMSA-N	0	1	513.981	6.810	50	30		KKEAMN
COC(=O)C(=CNNc1ncc(C(F)(F)F)cc1Cl)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12	ZINC000012950204	553428379	/nfs/dbraw/zinc/42/83/79/553428379.db2.gz	WQMKCPWHNNAVOV-YBELZCCZSA-N	0	1	590.311	7.119	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C(C)C)cc1	ZINC000013548361	553469989	/nfs/dbraw/zinc/46/99/89/553469989.db2.gz	XZEZXDRNFVFCSB-GDLZYMKVSA-N	0	1	513.634	6.312	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(F)cc3)cc2)c1	ZINC000013569726	553473696	/nfs/dbraw/zinc/47/36/96/553473696.db2.gz	VKSLFTRVUSDXHP-MUUNZHRXSA-N	0	1	508.549	5.887	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000013882120	553494186	/nfs/dbraw/zinc/49/41/86/553494186.db2.gz	YEFQGGDTEOUHGY-SLGOVJDISA-N	0	1	509.606	7.076	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)cc1C	ZINC000016729651	553575933	/nfs/dbraw/zinc/57/59/33/553575933.db2.gz	BZKYYGPUXVXCBS-MHZLTWQESA-N	0	1	501.579	5.232	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(Br)cc2)cc1Cl	ZINC000016733224	553577898	/nfs/dbraw/zinc/57/78/98/553577898.db2.gz	SXTKEPGTQDKLPO-HXUWFJFHSA-N	0	1	508.796	5.116	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000016733191	553577902	/nfs/dbraw/zinc/57/79/02/553577902.db2.gz	NKEAFJSBHRCHAZ-QHCPKHFHSA-N	0	1	512.393	5.423	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2cccc(Oc3ccccc3)c2)cc1Cl	ZINC000016733221	553577953	/nfs/dbraw/zinc/57/79/53/553577953.db2.gz	KITUWVNUNRRWBJ-SANMLTNESA-N	0	1	521.997	6.146	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Br)cc2)cc1Cl	ZINC000016733525	553578050	/nfs/dbraw/zinc/57/80/50/553578050.db2.gz	YPRJTJPGYHIRRN-OAQYLSRUSA-N	0	1	516.775	5.873	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Br)cc2)cc1Cl	ZINC000016733528	553578057	/nfs/dbraw/zinc/57/80/57/553578057.db2.gz	YPRJTJPGYHIRRN-NRFANRHFSA-N	0	1	516.775	5.873	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1Cl	ZINC000016733537	553578163	/nfs/dbraw/zinc/57/81/63/553578163.db2.gz	LNZKSDBEVFPCOW-OAQYLSRUSA-N	0	1	506.769	6.417	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOc3cccc(C)c3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000016735713	553578909	/nfs/dbraw/zinc/57/89/09/553578909.db2.gz	WWDBFSZCLLFQHK-NDEPHWFRSA-N	0	1	513.590	5.616	50	30		KKEAMN
CC(C)CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1	ZINC000016736861	553579090	/nfs/dbraw/zinc/57/90/90/553579090.db2.gz	NTXLNLBNSIHMAK-SANMLTNESA-N	0	1	503.551	5.254	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000016737469	553579319	/nfs/dbraw/zinc/57/93/19/553579319.db2.gz	FEJIDIULBBLOFF-MUUNZHRXSA-N	0	1	520.541	5.424	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3nc4ccccc4s3)[C@@H]2c2ccccc2)nc1C	ZINC000016750584	553580689	/nfs/dbraw/zinc/58/06/89/553580689.db2.gz	SRVGYQRMKLKEAP-IBGZPJMESA-N	0	1	517.588	5.187	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(CC)cc2)nc1C	ZINC000016805433	553582822	/nfs/dbraw/zinc/58/28/22/553582822.db2.gz	ISOKLQWNVCJHKE-NRFANRHFSA-N	0	1	508.571	5.421	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccnc3)s2)cc1	ZINC000016806221	553583173	/nfs/dbraw/zinc/58/31/73/553583173.db2.gz	SYTXNDSPKONHII-QFIPXVFZSA-N	0	1	514.632	5.625	50	30		KKEAMN
Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000017180443	553590107	/nfs/dbraw/zinc/59/01/07/553590107.db2.gz	GACPBRFYLUPENN-LDADJPATSA-N	0	1	504.612	5.717	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccccc1Cl	ZINC000018115303	553604729	/nfs/dbraw/zinc/60/47/29/553604729.db2.gz	POLJJJIQMJYCTQ-JCOAXYOVSA-N	0	1	517.044	7.960	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2cccc(F)c2)cc1	ZINC000018137085	553605672	/nfs/dbraw/zinc/60/56/72/553605672.db2.gz	CKZBFZYZUNEYFC-HFJWLAOPSA-N	0	1	510.487	6.297	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2cccc(F)c2)cc1	ZINC000018137091	553605726	/nfs/dbraw/zinc/60/57/26/553605726.db2.gz	CKZBFZYZUNEYFC-DWXRJYCRSA-N	0	1	510.487	6.297	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1cccc(OC)c1	ZINC000018142923	553606039	/nfs/dbraw/zinc/60/60/39/553606039.db2.gz	MLSJSZFTSVEINR-HEIROHQZSA-N	0	1	512.625	7.315	50	30		KKEAMN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)[C@H]3C[C@@H]12	ZINC000070687957	553607789	/nfs/dbraw/zinc/60/77/89/553607789.db2.gz	ZGGVOXYWOVDRQW-AABNTIBMSA-N	0	1	520.664	5.986	50	30	biogenic	KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000018325059	553612226	/nfs/dbraw/zinc/61/22/26/553612226.db2.gz	WDGYXGDEIGGBHT-ROTAYESASA-N	0	1	514.622	6.778	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020232026	553617657	/nfs/dbraw/zinc/61/76/57/553617657.db2.gz	NDQSCDDXDKXELG-NDEPHWFRSA-N	0	1	514.622	5.113	50	30		KKEAMN
CCOC(=O)c1ccc(O/C(=C/N(C)Cc2ccccc2)C(=O)c2ccc(O)c(C[N@H+](C)Cc3ccccc3)c2[O-])cc1	ZINC000071382578	553635279	/nfs/dbraw/zinc/63/52/79/553635279.db2.gz	XIHVCWFQYXZKHJ-FEZSWGLMSA-N	0	1	580.681	6.142	50	30		KKEAMN
CCOC(=O)c1ccc(O/C(=C/N(C)Cc2ccccc2)C(=O)c2ccc(O)c(C[N@@H+](C)Cc3ccccc3)c2[O-])cc1	ZINC000071382578	553635281	/nfs/dbraw/zinc/63/52/81/553635281.db2.gz	XIHVCWFQYXZKHJ-FEZSWGLMSA-N	0	1	580.681	6.142	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020083447	553684225	/nfs/dbraw/zinc/68/42/25/553684225.db2.gz	BZSWGDMBZOUWOL-NDEPHWFRSA-N	0	1	514.622	5.113	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000020083447	553684227	/nfs/dbraw/zinc/68/42/27/553684227.db2.gz	BZSWGDMBZOUWOL-NDEPHWFRSA-N	0	1	514.622	5.113	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000095201994	553700635	/nfs/dbraw/zinc/70/06/35/553700635.db2.gz	LQCAPZFOMOXRHZ-NPMXOYFQSA-N	0	1	512.584	5.074	50	30		KKEAMN
CCOC(=O)[C@](O)(c1ccc(NC(NC(=O)c2ccccc2OCC)(C(F)(F)F)C(F)(F)F)c(OC)c1)C(F)(F)F	ZINC000095725691	553710642	/nfs/dbraw/zinc/71/06/42/553710642.db2.gz	KPBHWSLEACNTPG-HXUWFJFHSA-N	0	1	606.438	5.070	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000095892001	553714793	/nfs/dbraw/zinc/71/47/93/553714793.db2.gz	SBXRJHNUDDUDJV-SANMLTNESA-N	0	1	503.599	5.128	50	30		KKEAMN
CCCCCCCCOc1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)cc1	ZINC000096022752	553722622	/nfs/dbraw/zinc/72/26/22/553722622.db2.gz	CKOGNWQLTXOYOY-ZZUBLQEUSA-N	0	1	519.683	6.905	50	30		KKEAMN
C=C(C)COc1ccc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1OC	ZINC000096115502	553726174	/nfs/dbraw/zinc/72/61/74/553726174.db2.gz	LHTCPEJCLLVXFB-SFHVURJKSA-N	0	1	500.503	5.276	50	30	biogenic	KKEAMN
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000096234387	553731611	/nfs/dbraw/zinc/73/16/11/553731611.db2.gz	FMEZFDNJNPBYKG-LPYMAVHISA-N	0	1	514.676	5.354	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Cl)c2)cc1Cl	ZINC000096793130	553757342	/nfs/dbraw/zinc/75/73/42/553757342.db2.gz	TXMDMOSDDYJOIA-QFIPXVFZSA-N	0	1	500.382	5.257	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939693	553760471	/nfs/dbraw/zinc/76/04/71/553760471.db2.gz	MEJWMKDYRGRMQG-GYCJOSAFSA-N	0	1	558.678	5.419	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939698	553760536	/nfs/dbraw/zinc/76/05/36/553760536.db2.gz	RCAKPRFFNSDLFX-XHCCPWGMSA-N	0	1	560.628	5.518	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(S(=O)(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1	ZINC000024193213	553790562	/nfs/dbraw/zinc/79/05/62/553790562.db2.gz	MYHJSLZWGWQDEQ-XMMPIXPASA-N	0	1	510.011	5.853	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000097948792	553796941	/nfs/dbraw/zinc/79/69/41/553796941.db2.gz	PJKNVXLENSAYFX-KCEHZKJRSA-N	0	1	603.933	8.870	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000097949143	553799657	/nfs/dbraw/zinc/79/96/57/553799657.db2.gz	JLVNIBDQKBOMHV-IYLMVCPTSA-N	0	1	650.728	6.953	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3OCC)C2)[C@H]1c1ccc(OC)cc1	ZINC000097949808	553803173	/nfs/dbraw/zinc/80/31/73/553803173.db2.gz	LLJDPDHFBANEHH-PBUKZNKTSA-N	0	1	538.688	7.575	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3OCC)C2)[C@H]1c1ccc(OC)cc1	ZINC000097949810	553803477	/nfs/dbraw/zinc/80/34/77/553803477.db2.gz	LLJDPDHFBANEHH-YUYWZBKDSA-N	0	1	538.688	7.575	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(C)cc1	ZINC000097951306	553808123	/nfs/dbraw/zinc/80/81/23/553808123.db2.gz	BKYGTHIHFAFWKC-WJOKGBTCSA-N	0	1	517.754	9.055	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000097951436	553809002	/nfs/dbraw/zinc/80/90/02/553809002.db2.gz	DKERBHNWQHEKHH-NRUKRWIHSA-N	0	1	536.672	7.081	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000097951435	553809069	/nfs/dbraw/zinc/80/90/69/553809069.db2.gz	DKERBHNWQHEKHH-BNHRFMORSA-N	0	1	536.672	7.081	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1	ZINC000097951673	553810633	/nfs/dbraw/zinc/81/06/33/553810633.db2.gz	JSRPCHIQBWURCP-NDEPHWFRSA-N	0	1	535.556	5.656	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000097951801	553811417	/nfs/dbraw/zinc/81/14/17/553811417.db2.gz	JJVBZKLWXFZYSF-OAQYLSRUSA-N	0	1	521.938	5.649	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000097952170	553813491	/nfs/dbraw/zinc/81/34/91/553813491.db2.gz	MYLQSHIWHGURCM-QFIPXVFZSA-N	0	1	519.966	6.203	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000097952442	553815676	/nfs/dbraw/zinc/81/56/76/553815676.db2.gz	IKQHRQKCDCTUIZ-QHCPKHFHSA-N	0	1	531.546	5.313	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000097952464	553816100	/nfs/dbraw/zinc/81/61/00/553816100.db2.gz	FOCSSDSOWJCDME-FQEVSTJZSA-N	0	1	525.449	6.466	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(OCc2ccccc2)c1	ZINC000097952946	553818208	/nfs/dbraw/zinc/81/82/08/553818208.db2.gz	OJHHGRDAFRJRAX-SSEXGKCCSA-N	0	1	533.580	5.815	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1F	ZINC000026459132	553818594	/nfs/dbraw/zinc/81/85/94/553818594.db2.gz	YQFCURFXIWPPHC-SANMLTNESA-N	0	1	523.557	5.639	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097953047	553818888	/nfs/dbraw/zinc/81/88/88/553818888.db2.gz	NRSQCUIRNSRHIV-HEIROHQZSA-N	0	1	545.635	6.410	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097953045	553818958	/nfs/dbraw/zinc/81/89/58/553818958.db2.gz	NRSQCUIRNSRHIV-JIYROHSKSA-N	0	1	545.635	6.410	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000097954150	553821625	/nfs/dbraw/zinc/82/16/25/553821625.db2.gz	MBAPXEGTLPWMMI-ACSYHNTCSA-N	0	1	545.632	6.349	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097954733	553824895	/nfs/dbraw/zinc/82/48/95/553824895.db2.gz	RFSYKWUMXWSXAX-YKGWIAGDSA-N	0	1	549.627	5.454	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097954735	553824902	/nfs/dbraw/zinc/82/49/02/553824902.db2.gz	RFSYKWUMXWSXAX-RCRUUEGKSA-N	0	1	549.627	5.454	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000097954739	553824944	/nfs/dbraw/zinc/82/49/44/553824944.db2.gz	UKODMAVGVHFVGM-HEIROHQZSA-N	0	1	545.635	6.410	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000097954769	553825373	/nfs/dbraw/zinc/82/53/73/553825373.db2.gz	MVZOSVJOUXKDQR-IIMAJNMQSA-N	0	1	541.644	6.019	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000097955013	553827520	/nfs/dbraw/zinc/82/75/20/553827520.db2.gz	JPMUENKNBUIAFD-SHACYNPGSA-N	0	1	543.557	5.319	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000097955071	553828285	/nfs/dbraw/zinc/82/82/85/553828285.db2.gz	YSFDQBBREMBCPF-RZFZLAGVSA-N	0	1	623.481	5.888	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C	ZINC000097955107	553828817	/nfs/dbraw/zinc/82/88/17/553828817.db2.gz	STGDNZMIQFUGIG-HHHXNRCGSA-N	0	1	636.723	6.006	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000097955578	553831607	/nfs/dbraw/zinc/83/16/07/553831607.db2.gz	SBDGKARZIVDEJT-RCRUUEGKSA-N	0	1	549.627	5.454	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000097955580	553831654	/nfs/dbraw/zinc/83/16/54/553831654.db2.gz	HDNDGWQOVSGFGA-JBEBIEQOSA-N	0	1	544.560	5.328	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000097955574	553831726	/nfs/dbraw/zinc/83/17/26/553831726.db2.gz	BCXKJKDPMIIDIU-SGANQWHYSA-N	0	1	547.032	6.455	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000097955620	553832088	/nfs/dbraw/zinc/83/20/88/553832088.db2.gz	WMGDDBWGNABGNP-BZQUYTCOSA-N	0	1	547.032	6.455	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC	ZINC000097955683	553832932	/nfs/dbraw/zinc/83/29/32/553832932.db2.gz	YTJKMZDZFJTGFP-HHHXNRCGSA-N	0	1	607.084	6.691	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000097955725	553833155	/nfs/dbraw/zinc/83/31/55/553833155.db2.gz	PNNHZIQHDRPYHG-ZAMGYDSWSA-N	0	1	520.969	6.195	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000097956229	553837004	/nfs/dbraw/zinc/83/70/04/553837004.db2.gz	LQCARSUPQNCQIE-NPMABZOXSA-N	0	1	531.521	5.450	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000097956569	553839813	/nfs/dbraw/zinc/83/98/13/553839813.db2.gz	JOYRKHIDEAISSM-JRTUOMDPSA-N	0	1	680.754	6.961	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000097956686	553840724	/nfs/dbraw/zinc/84/07/24/553840724.db2.gz	SRKJITHEVDWILF-SHACYNPGSA-N	0	1	543.557	5.319	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000097956838	553842171	/nfs/dbraw/zinc/84/21/71/553842171.db2.gz	ZGSFMKKPYNXSGJ-AREMUKBSSA-N	0	1	584.650	6.520	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000097956872	553843022	/nfs/dbraw/zinc/84/30/22/553843022.db2.gz	YCKFQEXNUSIDSH-NRFANRHFSA-N	0	1	532.599	5.875	50	30		KKEAMN
O=C(Nc1cccc(/N=C/c2cc(I)cc(I)c2O)c1)c1cccc(Cl)c1	ZINC000097958534	553855391	/nfs/dbraw/zinc/85/53/91/553855391.db2.gz	TZGYWWZYLZXBQH-BHGWPJFGSA-N	0	1	602.597	6.258	50	30		KKEAMN
C=CCOc1c(I)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I	ZINC000097960830	553873687	/nfs/dbraw/zinc/87/36/87/553873687.db2.gz	RWPYOMVELDLZTD-WQLSENKSSA-N	0	1	634.208	5.271	50	30		KKEAMN
Clc1ccc(COc2c(Br)cc(C=NN=c3[nH]c4ccccc4s3)cc2Br)cc1	ZINC000097962094	553883037	/nfs/dbraw/zinc/88/30/37/553883037.db2.gz	VHDDZHOOOWGMHB-OPEKNORGSA-N	0	1	551.691	7.500	50	30		KKEAMN
Cc1cc(/N=C/c2cc(Br)cc(Br)c2O)ccc1NC(=O)c1cc2ccccc2o1	ZINC000097966010	553906445	/nfs/dbraw/zinc/90/64/45/553906445.db2.gz	BFOXLYYNXGGDHC-RPPGKUMJSA-N	0	1	528.200	6.975	50	30		KKEAMN
COc1cc(/N=C/c2cc(Br)cc(Br)c2O)ccc1NC(=O)c1cc2ccccc2o1	ZINC000097966012	553906483	/nfs/dbraw/zinc/90/64/83/553906483.db2.gz	OBIJJQKPMNHCGL-RPPGKUMJSA-N	0	1	544.199	6.675	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Br)cc1	ZINC000097966744	553910042	/nfs/dbraw/zinc/91/00/42/553910042.db2.gz	IKUGMHWMCTWTHB-AREMUKBSSA-N	0	1	571.512	5.093	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccc(Br)c1	ZINC000097966794	553910416	/nfs/dbraw/zinc/91/04/16/553910416.db2.gz	XBKOPFMOZUEHHR-AREMUKBSSA-N	0	1	550.449	5.951	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OC	ZINC000097966809	553910759	/nfs/dbraw/zinc/91/07/59/553910759.db2.gz	RSLWOEQFJHTOBG-SSEXGKCCSA-N	0	1	567.642	5.456	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000097966842	553910780	/nfs/dbraw/zinc/91/07/80/553910780.db2.gz	OGWCBFZVKWTKIE-JCOAXYOVSA-N	0	1	565.622	6.359	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Br)c1	ZINC000097966875	553911480	/nfs/dbraw/zinc/91/14/80/553911480.db2.gz	DXYJHNMWZWDCJK-GDLZYMKVSA-N	0	1	605.529	5.637	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCOC)cc1OC	ZINC000097966970	553912357	/nfs/dbraw/zinc/91/23/57/553912357.db2.gz	OBPUFAPSYROPSV-LJAQVGFWSA-N	0	1	545.632	5.596	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000097966984	553912631	/nfs/dbraw/zinc/91/26/31/553912631.db2.gz	GULCBQLIWBGTFN-NDEPHWFRSA-N	0	1	628.703	6.316	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O	ZINC000097967003	553912738	/nfs/dbraw/zinc/91/27/38/553912738.db2.gz	RFLZQIAGGXAJIO-MHZLTWQESA-N	0	1	614.676	6.013	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Br)c1	ZINC000097967038	553913054	/nfs/dbraw/zinc/91/30/54/553913054.db2.gz	DNBRIAFRHJHESA-SANMLTNESA-N	0	1	571.512	5.093	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)ccc1OCC(C)C	ZINC000097967048	553913159	/nfs/dbraw/zinc/91/31/59/553913159.db2.gz	LSQRGCCOAXAQCM-AREMUKBSSA-N	0	1	571.512	5.093	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000097967016	553913178	/nfs/dbraw/zinc/91/31/78/553913178.db2.gz	QYEZRPNDNIECDH-OAQYLSRUSA-N	0	1	555.837	6.504	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000097967135	553914380	/nfs/dbraw/zinc/91/43/80/553914380.db2.gz	VHVCWLHRSHYVOP-YTTGMZPUSA-N	0	1	584.713	6.123	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(F)cc2)nc1C	ZINC000097967194	553914716	/nfs/dbraw/zinc/91/47/16/553914716.db2.gz	AIOOEXAQUWPODR-HHHXNRCGSA-N	0	1	598.652	6.604	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1OCC	ZINC000097967205	553915333	/nfs/dbraw/zinc/91/53/33/553915333.db2.gz	PFNXADBMZQSIJS-IPBJYNAHSA-N	0	1	592.733	5.278	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCCCC)c2)nc1C	ZINC000097967420	553918115	/nfs/dbraw/zinc/91/81/15/553918115.db2.gz	HIXXGNBIZKZUEG-AREMUKBSSA-N	0	1	604.681	5.917	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000097967433	553918559	/nfs/dbraw/zinc/91/85/59/553918559.db2.gz	MZRQUZTYOOVBHV-HWRSSNJWSA-N	0	1	637.508	6.278	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCn2ccnc2)ccc1O	ZINC000097967485	553919401	/nfs/dbraw/zinc/91/94/01/553919401.db2.gz	KXYWRFHWXYMQTM-LJAQVGFWSA-N	0	1	553.615	5.153	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000097967525	553919879	/nfs/dbraw/zinc/91/98/79/553919879.db2.gz	SQCGHJQVHXKBIN-SANMLTNESA-N	0	1	586.641	6.438	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C	ZINC000097967572	553920197	/nfs/dbraw/zinc/92/01/97/553920197.db2.gz	KYMXAYAMQGUYGC-MUUNZHRXSA-N	0	1	648.734	6.172	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C	ZINC000097967595	553920596	/nfs/dbraw/zinc/92/05/96/553920596.db2.gz	BYNRMFCXOGZJQI-SANMLTNESA-N	0	1	620.680	5.536	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C	ZINC000097967615	553921170	/nfs/dbraw/zinc/92/11/70/553921170.db2.gz	MSGYGRNGFPCIAK-LAJNKCICSA-N	0	1	629.485	5.211	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C	ZINC000097967685	553921899	/nfs/dbraw/zinc/92/18/99/553921899.db2.gz	WSXWKYRSCBLMHF-UDNBHOFDSA-N	0	1	685.868	8.069	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097967725	553922307	/nfs/dbraw/zinc/92/23/07/553922307.db2.gz	SEAMEGNRXCRTEQ-JCOAXYOVSA-N	0	1	682.223	8.169	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1	ZINC000097967715	553922313	/nfs/dbraw/zinc/92/23/13/553922313.db2.gz	IVAWWMRPLKQKHB-SOKVYYICSA-N	0	1	569.639	5.540	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000097967706	553922322	/nfs/dbraw/zinc/92/23/22/553922322.db2.gz	PRBVFMHGQPRHFO-MHZLTWQESA-N	0	1	614.676	5.926	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000097967827	553923604	/nfs/dbraw/zinc/92/36/04/553923604.db2.gz	IDQIMHRJIATBES-MYYSRTQBSA-N	0	1	577.634	6.215	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000097967820	553923660	/nfs/dbraw/zinc/92/36/60/553923660.db2.gz	FWQHMKPIXDIPLQ-QHCPKHFHSA-N	0	1	646.961	7.345	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000097967951	553925257	/nfs/dbraw/zinc/92/52/57/553925257.db2.gz	NOQBVTPNXLWNOH-ADXZGYQBSA-N	0	1	678.232	7.778	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000097967952	553925517	/nfs/dbraw/zinc/92/55/17/553925517.db2.gz	NOQBVTPNXLWNOH-SLQAJWMNSA-N	0	1	678.232	7.778	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000097967954	553925778	/nfs/dbraw/zinc/92/57/78/553925778.db2.gz	NOQBVTPNXLWNOH-XBBWARJSSA-N	0	1	678.232	7.778	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097968032	553926554	/nfs/dbraw/zinc/92/65/54/553926554.db2.gz	GBTDCAFMQJHMCW-SANMLTNESA-N	0	1	601.706	6.092	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C	ZINC000097968027	553926605	/nfs/dbraw/zinc/92/66/05/553926605.db2.gz	AOFGDZORZSMUFP-WJOKGBTCSA-N	0	1	687.840	7.517	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097968104	553928010	/nfs/dbraw/zinc/92/80/10/553928010.db2.gz	WAJXKSFJEWWWOT-NDEPHWFRSA-N	0	1	664.205	7.463	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(O)c3)ccc2O1	ZINC000097968138	553928487	/nfs/dbraw/zinc/92/84/87/553928487.db2.gz	MYZDVXFCBJTFIY-MYYSRTQBSA-N	0	1	592.098	6.296	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097968206	553929061	/nfs/dbraw/zinc/92/90/61/553929061.db2.gz	XQNQBDHOGDXKDD-GDLZYMKVSA-N	0	1	659.786	6.962	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097968228	553929200	/nfs/dbraw/zinc/92/92/00/553929200.db2.gz	SKHLCEVCIHEOGY-XGCWNURASA-N	0	1	668.624	8.032	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000097968236	553929631	/nfs/dbraw/zinc/92/96/31/553929631.db2.gz	NHTVTTIVFVBWIL-MYYSRTQBSA-N	0	1	594.089	6.729	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000097968257	553929643	/nfs/dbraw/zinc/92/96/43/553929643.db2.gz	XPGYFAPVCSPEMB-PMERELPUSA-N	0	1	684.195	7.617	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097968279	553930038	/nfs/dbraw/zinc/93/00/38/553930038.db2.gz	HSYXARBVPZTKGI-RUZDIDTESA-N	0	1	605.669	5.922	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000097968321	553930346	/nfs/dbraw/zinc/93/03/46/553930346.db2.gz	STUACRWXCGLULW-HMILPKGGSA-N	0	1	634.751	6.702	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C	ZINC000097968310	553930389	/nfs/dbraw/zinc/93/03/89/553930389.db2.gz	HNFBGTWVXXVGME-HHHXNRCGSA-N	0	1	582.634	5.787	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097968338	553930685	/nfs/dbraw/zinc/93/06/85/553930685.db2.gz	SNGGSHYCESCDAU-LFPIHBKWSA-N	0	1	644.989	7.897	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000033354684	553930799	/nfs/dbraw/zinc/93/07/99/553930799.db2.gz	QHALWPNBLRJJLP-JXSYCYSGSA-N	0	1	632.713	7.022	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)ccc1OCc1ccc(Cl)cc1	ZINC000033354665	553930825	/nfs/dbraw/zinc/93/08/25/553930825.db2.gz	GEGDYHYQKVHQKW-OIVXELCOSA-N	0	1	661.223	9.594	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2	ZINC000097968369	553931463	/nfs/dbraw/zinc/93/14/63/553931463.db2.gz	SHNOUVCSGYFBMP-HSZRJFAPSA-N	0	1	577.615	5.229	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097968383	553931586	/nfs/dbraw/zinc/93/15/86/553931586.db2.gz	OLDFETPQTWZVCQ-PLTNMMHCSA-N	0	1	716.668	8.823	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(O)c3)ccc2O1	ZINC000097968354	553931607	/nfs/dbraw/zinc/93/16/07/553931607.db2.gz	PCNKJAZIVDQLJD-IZHWHUGBSA-N	0	1	575.643	5.781	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097968390	553931977	/nfs/dbraw/zinc/93/19/77/553931977.db2.gz	XAXDCPRQUDHEQE-SANMLTNESA-N	0	1	619.696	6.312	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097968411	553931990	/nfs/dbraw/zinc/93/19/90/553931990.db2.gz	QACARLVBDWEHHK-SANMLTNESA-N	0	1	636.151	6.827	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097968384	553932029	/nfs/dbraw/zinc/93/20/29/553932029.db2.gz	OLDFETPQTWZVCQ-PKHCJMHPSA-N	0	1	716.668	8.823	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000097968991	553935527	/nfs/dbraw/zinc/93/55/27/553935527.db2.gz	OLWCYUNKNJKCCZ-YTTGMZPUSA-N	0	1	584.713	6.267	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000097969011	553935887	/nfs/dbraw/zinc/93/58/87/553935887.db2.gz	PIQGRIXFJUYODH-YUYWZBKDSA-N	0	1	589.688	6.809	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097969134	553937008	/nfs/dbraw/zinc/93/70/08/553937008.db2.gz	DJXHQYVHANNUIN-MYYSRTQBSA-N	0	1	594.089	6.729	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097969140	553937081	/nfs/dbraw/zinc/93/70/81/553937081.db2.gz	YGFQPUVYTGIHNR-WGDIFIGCSA-N	0	1	603.697	6.475	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000097969190	553937961	/nfs/dbraw/zinc/93/79/61/553937961.db2.gz	WFYJULAQFDODCZ-WZQKQDCOSA-N	0	1	577.058	6.463	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccncc2)cc1OC	ZINC000097969228	553938364	/nfs/dbraw/zinc/93/83/64/553938364.db2.gz	RTMGKPFMHPKMNI-SSEXGKCCSA-N	0	1	550.611	5.765	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000097969309	553939446	/nfs/dbraw/zinc/93/94/46/553939446.db2.gz	SMGQYUALHBERDA-GDLZYMKVSA-N	0	1	642.730	6.706	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000097969341	553939777	/nfs/dbraw/zinc/93/97/77/553939777.db2.gz	RVFBZUUSSBOFIF-SGANQWHYSA-N	0	1	591.483	6.564	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097969356	553940120	/nfs/dbraw/zinc/94/01/20/553940120.db2.gz	QUSXHHOYRTUXTC-WRONEBCDSA-N	0	1	662.233	8.015	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000097969566	553942169	/nfs/dbraw/zinc/94/21/69/553942169.db2.gz	MAQLHTIFTSMANG-QHCPKHFHSA-N	0	1	569.422	6.166	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Br)cc1	ZINC000097969548	553942257	/nfs/dbraw/zinc/94/22/57/553942257.db2.gz	OQRAPYFQJBVQRM-SSEXGKCCSA-N	0	1	627.620	9.417	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000097969652	553943397	/nfs/dbraw/zinc/94/33/97/553943397.db2.gz	VLCALTNROZAOOJ-IVCQMTBJSA-N	0	1	606.125	6.599	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097969736	553944120	/nfs/dbraw/zinc/94/41/20/553944120.db2.gz	KCRJCYIUCXXRLV-SONOPUAISA-N	0	1	659.761	7.039	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C	ZINC000097969807	553944911	/nfs/dbraw/zinc/94/49/11/553944911.db2.gz	YSZPCTJBGXLBDS-MHZLTWQESA-N	0	1	614.676	6.013	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1	ZINC000097969848	553945839	/nfs/dbraw/zinc/94/58/39/553945839.db2.gz	ZNQCJUQMDVAOIW-IIMAJNMQSA-N	0	1	556.659	5.128	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1	ZINC000097969863	553945939	/nfs/dbraw/zinc/94/59/39/553945939.db2.gz	KTMZPSAPCJEGEK-MHZLTWQESA-N	0	1	570.623	5.675	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097969840	553945948	/nfs/dbraw/zinc/94/59/48/553945948.db2.gz	KXGYQRZJBARZSK-KWMCUTETSA-N	0	1	682.651	8.422	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C	ZINC000097969889	553946340	/nfs/dbraw/zinc/94/63/40/553946340.db2.gz	CQFCLHSSESUYOL-BGOLNKOXSA-N	0	1	689.831	7.899	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1	ZINC000097969893	553946417	/nfs/dbraw/zinc/94/64/17/553946417.db2.gz	HPUYVWJNOXGTLP-DEOSSOPVSA-N	0	1	578.643	5.361	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097969960	553947706	/nfs/dbraw/zinc/94/77/06/553947706.db2.gz	MVASUSTXHAGVKS-OLILMLBXSA-N	0	1	643.787	7.124	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000097970034	553948463	/nfs/dbraw/zinc/94/84/63/553948463.db2.gz	CQFNRBHTFXLVBR-SONOPUAISA-N	0	1	621.740	7.099	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1	ZINC000097970095	553949554	/nfs/dbraw/zinc/94/95/54/553949554.db2.gz	RHAHLGYFQJIMPY-YUYWZBKDSA-N	0	1	705.858	8.223	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097970166	553950464	/nfs/dbraw/zinc/95/04/64/553950464.db2.gz	YISZKSHSNAKION-SONOPUAISA-N	0	1	661.777	7.263	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097970152	553950482	/nfs/dbraw/zinc/95/04/82/553950482.db2.gz	MTKXQTKARLKASV-KWMCUTETSA-N	0	1	647.750	6.873	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000097970190	553950794	/nfs/dbraw/zinc/95/07/94/553950794.db2.gz	OHNHVGRDRMNJPG-JCOAXYOVSA-N	0	1	689.831	8.044	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1	ZINC000097970202	553950895	/nfs/dbraw/zinc/95/08/95/553950895.db2.gz	BEQZGUPZGZIKEH-DHYKOVJISA-N	0	1	709.821	8.054	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097970198	553950920	/nfs/dbraw/zinc/95/09/20/553950920.db2.gz	UQNYJGMXKNFWLD-ROTAYESASA-N	0	1	689.831	8.044	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097970217	553951219	/nfs/dbraw/zinc/95/12/19/553951219.db2.gz	XDUHDAMLSZHPOU-SLQAJWMNSA-N	0	1	696.678	8.813	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C	ZINC000097970360	553952863	/nfs/dbraw/zinc/95/28/63/553952863.db2.gz	TYPNRCBRLJCNSC-ROTAYESASA-N	0	1	706.286	8.414	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097970347	553952948	/nfs/dbraw/zinc/95/29/48/553952948.db2.gz	OSIXMIRGXPJXFD-DNOBIOAJSA-N	0	1	634.179	7.379	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1	ZINC000097970401	553953815	/nfs/dbraw/zinc/95/38/15/553953815.db2.gz	DFQRKEUPRRUXJU-KCEHZKJRSA-N	0	1	576.649	6.161	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C	ZINC000097970443	553954120	/nfs/dbraw/zinc/95/41/20/553954120.db2.gz	XFGKQDFBUDFZNG-GDLZYMKVSA-N	0	1	558.631	5.455	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C	ZINC000097970444	553954128	/nfs/dbraw/zinc/95/41/28/553954128.db2.gz	XFGKQDFBUDFZNG-LJAQVGFWSA-N	0	1	558.631	5.455	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000097970464	553954523	/nfs/dbraw/zinc/95/45/23/553954523.db2.gz	BRPKTQXYDFBSKG-YKGWIAGDSA-N	0	1	573.690	5.843	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000097970490	553954980	/nfs/dbraw/zinc/95/49/80/553954980.db2.gz	MCUHKIKQXSIJSQ-DHYKOVJISA-N	0	1	693.847	8.277	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000097970505	553955065	/nfs/dbraw/zinc/95/50/65/553955065.db2.gz	WICDEVOXFPZIPD-IVCQMTBJSA-N	0	1	634.135	6.377	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097970539	553955475	/nfs/dbraw/zinc/95/54/75/553955475.db2.gz	NEXGSQATWVFRKW-AFJIDDCJSA-N	0	1	643.787	7.043	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000097970631	553956873	/nfs/dbraw/zinc/95/68/73/553956873.db2.gz	VXGNNTJHKOGTDX-RBSBEOHCSA-N	0	1	619.139	7.634	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OC	ZINC000097970699	553957494	/nfs/dbraw/zinc/95/74/94/553957494.db2.gz	WZKVPONGTKWLDM-KCWXNJEJSA-N	0	1	559.663	5.453	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000097970698	553957610	/nfs/dbraw/zinc/95/76/10/553957610.db2.gz	RSEGNZCTDVBTEP-SSOJOUAXSA-N	0	1	571.680	5.945	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000097970944	553959548	/nfs/dbraw/zinc/95/95/48/553959548.db2.gz	VBBYEDRFOMDYGO-JRPXNJEYSA-N	0	1	556.659	6.151	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1	ZINC000097999755	554045659	/nfs/dbraw/zinc/04/56/59/554045659.db2.gz	IPAUTQWAMCBSTQ-XJDVZLJJSA-N	0	1	665.230	9.273	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	ZINC000097999769	554045938	/nfs/dbraw/zinc/04/59/38/554045938.db2.gz	LGMMQDNXRHFURG-BMWXWXOGSA-N	0	1	663.258	10.107	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1	ZINC000097999797	554045986	/nfs/dbraw/zinc/04/59/86/554045986.db2.gz	RTCUDCAEILXUHW-IPKWWJLYSA-N	0	1	775.298	9.567	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1	ZINC000097999898	554046732	/nfs/dbraw/zinc/04/67/32/554046732.db2.gz	NJWBJSXLEHEPKW-AYAMJOBCSA-N	0	1	655.622	9.528	50	30		KKEAMN
O=C(c1ccc(Cl)cc1)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000098045528	554132204	/nfs/dbraw/zinc/13/22/04/554132204.db2.gz	YBNBMNSKFYNOGI-UGDMGKLASA-N	0	1	568.004	7.602	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3ccccc3)cc2)c1	ZINC000098045756	554133738	/nfs/dbraw/zinc/13/37/38/554133738.db2.gz	KKJUPGZIQGQTCJ-LJAQVGFWSA-N	0	1	623.731	7.640	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCC)cc2)cc1C	ZINC000098046315	554137627	/nfs/dbraw/zinc/13/76/27/554137627.db2.gz	OHRIIWWCPMGOKN-VWLOTQADSA-N	0	1	576.671	6.073	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000098046334	554137916	/nfs/dbraw/zinc/13/79/16/554137916.db2.gz	ZLBZRMAGIIZCKJ-JOCHJYFZSA-N	0	1	553.036	5.938	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000098046425	554139053	/nfs/dbraw/zinc/13/90/53/554139053.db2.gz	SGMACPNDFDPLBZ-MHZLTWQESA-N	0	1	682.220	7.471	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1F	ZINC000098046517	554140256	/nfs/dbraw/zinc/14/02/56/554140256.db2.gz	SGJZGISJQPXYLM-NDEPHWFRSA-N	0	1	673.744	6.940	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000098046604	554141464	/nfs/dbraw/zinc/14/14/64/554141464.db2.gz	MNWANIXQDNYJRV-AREMUKBSSA-N	0	1	670.596	7.480	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(Br)c3)cc2)c1	ZINC000098046671	554142301	/nfs/dbraw/zinc/14/23/01/554142301.db2.gz	WWHPPZAFKIXGHO-MUUNZHRXSA-N	0	1	569.455	6.510	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C	ZINC000098046712	554142696	/nfs/dbraw/zinc/14/26/96/554142696.db2.gz	ZUHLMDJZLXHAIJ-QHCPKHFHSA-N	0	1	577.615	5.664	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc(Oc4ccccc4)c3)cc2)c1	ZINC000098046700	554142784	/nfs/dbraw/zinc/14/27/84/554142784.db2.gz	CIRUTOTVLDESLO-UMSFTDKQSA-N	0	1	582.656	7.540	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC	ZINC000098046715	554142804	/nfs/dbraw/zinc/14/28/04/554142804.db2.gz	LMHOSRSDPYBWAA-OAQYLSRUSA-N	0	1	551.671	5.692	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC	ZINC000098046716	554142834	/nfs/dbraw/zinc/14/28/34/554142834.db2.gz	LMHOSRSDPYBWAA-NRFANRHFSA-N	0	1	551.671	5.692	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000098047040	554146037	/nfs/dbraw/zinc/14/60/37/554146037.db2.gz	HRMRBOWVMKDRLR-WJOKGBTCSA-N	0	1	570.686	5.877	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000098047035	554146165	/nfs/dbraw/zinc/14/61/65/554146165.db2.gz	VMBVRDBVTLOJPT-PMERELPUSA-N	0	1	556.659	5.487	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F	ZINC000098047260	554148503	/nfs/dbraw/zinc/14/85/03/554148503.db2.gz	HLSDWWUCOUULJD-PMERELPUSA-N	0	1	704.201	8.002	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000098047369	554150078	/nfs/dbraw/zinc/15/00/78/554150078.db2.gz	ZMJLSXVMALZUTQ-MHZLTWQESA-N	0	1	601.750	7.191	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCCC)cc2)cc1	ZINC000098047418	554150473	/nfs/dbraw/zinc/15/04/73/554150473.db2.gz	ULXYVYIMGYHLPE-GDLZYMKVSA-N	0	1	629.804	7.889	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000098047394	554150584	/nfs/dbraw/zinc/15/05/84/554150584.db2.gz	SHWUVZWMEWCZRM-XMMPIXPASA-N	0	1	596.105	7.113	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000098047417	554150597	/nfs/dbraw/zinc/15/05/97/554150597.db2.gz	HCSNZWUEVUMLPY-HKBQPEDESA-N	0	1	657.858	8.670	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCCC)cc2)cc1	ZINC000098047419	554150606	/nfs/dbraw/zinc/15/06/06/554150606.db2.gz	ULXYVYIMGYHLPE-LJAQVGFWSA-N	0	1	629.804	7.889	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCCCC)cc2)cc1	ZINC000098047425	554150890	/nfs/dbraw/zinc/15/08/90/554150890.db2.gz	CMODIUNOACYFRJ-LJAQVGFWSA-N	0	1	647.794	8.110	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1	ZINC000098047424	554151006	/nfs/dbraw/zinc/15/10/06/554151006.db2.gz	CMODIUNOACYFRJ-GDLZYMKVSA-N	0	1	647.794	8.110	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000098047463	554151315	/nfs/dbraw/zinc/15/13/15/554151315.db2.gz	DDPJLRWNEMYGKZ-YTTGMZPUSA-N	0	1	681.811	8.510	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC	ZINC000098047469	554151480	/nfs/dbraw/zinc/15/14/80/554151480.db2.gz	YOFGOYSQKJAROG-LJAQVGFWSA-N	0	1	643.787	7.366	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(C(=O)OC)cc2)nc1C	ZINC000098047478	554151525	/nfs/dbraw/zinc/15/15/25/554151525.db2.gz	MNRSOSLQGVAGQK-XMMPIXPASA-N	0	1	590.654	5.543	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000098047508	554151711	/nfs/dbraw/zinc/15/17/11/554151711.db2.gz	WTXAZXBVUUBPSW-HKBQPEDESA-N	0	1	654.785	7.805	50	30		KKEAMN
CCCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OC	ZINC000098047482	554151721	/nfs/dbraw/zinc/15/17/21/554151721.db2.gz	WMYFXNXFCQUDBJ-XIFFEERXSA-N	0	1	736.356	9.803	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000098047502	554151863	/nfs/dbraw/zinc/15/18/63/554151863.db2.gz	BJMDPHUIRMUSCC-VWLOTQADSA-N	0	1	606.697	6.013	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000098047524	554152310	/nfs/dbraw/zinc/15/23/10/554152310.db2.gz	NMOFKRJMBSYBNP-HSZRJFAPSA-N	0	1	567.063	6.410	50	30		KKEAMN
CCCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC	ZINC000098047550	554152628	/nfs/dbraw/zinc/15/26/28/554152628.db2.gz	MXBWJXHAUYDPMY-XIFFEERXSA-N	0	1	701.911	9.150	50	30		KKEAMN
CCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC	ZINC000098047563	554152646	/nfs/dbraw/zinc/15/26/46/554152646.db2.gz	DKRWGLFVJNDNCI-JGCGQSQUSA-N	0	1	687.884	8.760	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000098047585	554152925	/nfs/dbraw/zinc/15/29/25/554152925.db2.gz	ZHGHUAJGSKIUHN-WJOKGBTCSA-N	0	1	708.302	8.879	50	30		KKEAMN
CCCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC	ZINC000098047595	554153150	/nfs/dbraw/zinc/15/31/50/554153150.db2.gz	ABUIDBDXTIJAEZ-UUWRZZSWSA-N	0	1	715.938	9.458	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000098047605	554153559	/nfs/dbraw/zinc/15/35/59/554153559.db2.gz	MWDJRYFFAQMHHY-AREMUKBSSA-N	0	1	606.169	7.754	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1	ZINC000098047633	554154033	/nfs/dbraw/zinc/15/40/33/554154033.db2.gz	XQDRIVMCZCZUGG-MUUNZHRXSA-N	0	1	636.767	7.168	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000098047694	554154388	/nfs/dbraw/zinc/15/43/88/554154388.db2.gz	ZWACZXUBVKRNEH-VWLOTQADSA-N	0	1	602.694	6.700	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C)cc2)cc1F	ZINC000098047741	554155384	/nfs/dbraw/zinc/15/53/84/554155384.db2.gz	AZSIWHXXZGASCX-HHHXNRCGSA-N	0	1	597.693	7.223	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047768	554155842	/nfs/dbraw/zinc/15/58/42/554155842.db2.gz	BPGJXYOAAPHCCM-NDEPHWFRSA-N	0	1	653.738	6.570	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F	ZINC000098047762	554155860	/nfs/dbraw/zinc/15/58/60/554155860.db2.gz	DCBDTGFNIZMVMP-XIFFEERXSA-N	0	1	673.791	8.793	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047826	554156744	/nfs/dbraw/zinc/15/67/44/554156744.db2.gz	QLFAAVFSDKHMEJ-NDEPHWFRSA-N	0	1	611.720	7.613	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C	ZINC000098047898	554157352	/nfs/dbraw/zinc/15/73/52/554157352.db2.gz	IQYGSRYXURFISQ-MHZLTWQESA-N	0	1	625.659	6.373	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)ccc1O	ZINC000098048008	554158358	/nfs/dbraw/zinc/15/83/58/554158358.db2.gz	LTNXXMLMPMWVGJ-RUZDIDTESA-N	0	1	528.586	5.528	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)cc1C	ZINC000098050342	554174028	/nfs/dbraw/zinc/17/40/28/554174028.db2.gz	GLHYEIXFTQQNJD-OAQYLSRUSA-N	0	1	539.009	5.548	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000098050346	554174049	/nfs/dbraw/zinc/17/40/49/554174049.db2.gz	PGFWZYPIZUXBLH-OAQYLSRUSA-N	0	1	539.009	5.548	50	30		KKEAMN
CCCCCCCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1	ZINC000100063156	554199251	/nfs/dbraw/zinc/19/92/51/554199251.db2.gz	OUUIKGYBGUIURH-UHFFFAOYSA-N	0	1	550.703	7.615	50	30		KKEAMN
C=CCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1	ZINC000036301676	554211420	/nfs/dbraw/zinc/21/14/20/554211420.db2.gz	WYFYFOCRWPEUBP-QHCPKHFHSA-N	0	1	500.039	5.411	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000100340490	554324973	/nfs/dbraw/zinc/32/49/73/554324973.db2.gz	PVKFRVADIZVEJR-JBCNATCCSA-N	0	1	532.312	6.103	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2Cl)[C@H]3c2ccc(F)cc2)cc1	ZINC000049771675	554325959	/nfs/dbraw/zinc/32/59/59/554325959.db2.gz	HIDBFCAYHFMHLE-ZWVRTZEQSA-N	0	1	579.115	8.991	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2Cl)[C@@H]3c2ccc(F)cc2)cc1	ZINC000049771677	554325971	/nfs/dbraw/zinc/32/59/71/554325971.db2.gz	HIDBFCAYHFMHLE-PBUKZNKTSA-N	0	1	579.115	8.991	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000049918058	554327105	/nfs/dbraw/zinc/32/71/05/554327105.db2.gz	SXKFJWGUZMQKMG-UKJJDJLKSA-N	0	1	546.598	6.827	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000049918092	554327307	/nfs/dbraw/zinc/32/73/07/554327307.db2.gz	GGQPJZBVFPWEKT-UBOZLPQGSA-N	0	1	558.634	6.696	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)c(C)c1	ZINC000053305751	554332854	/nfs/dbraw/zinc/33/28/54/554332854.db2.gz	NQUMKFQXNOAHLY-RUZDIDTESA-N	0	1	535.438	6.110	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(Br)c2)nc1C	ZINC000053307809	554335513	/nfs/dbraw/zinc/33/55/13/554335513.db2.gz	RISMILBXXPONDH-HXUWFJFHSA-N	0	1	571.449	5.491	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000053319104	554335808	/nfs/dbraw/zinc/33/58/08/554335808.db2.gz	BDXQRTMYAOTZAV-HSZRJFAPSA-N	0	1	565.445	6.249	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000053319132	554336247	/nfs/dbraw/zinc/33/62/47/554336247.db2.gz	ZBHSHRZWOIFKKT-HSZRJFAPSA-N	0	1	565.445	6.249	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Br)c2)cc1	ZINC000053319133	554336366	/nfs/dbraw/zinc/33/63/66/554336366.db2.gz	ZBHSHRZWOIFKKT-QHCPKHFHSA-N	0	1	565.445	6.249	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1	ZINC000053319223	554336885	/nfs/dbraw/zinc/33/68/85/554336885.db2.gz	INGBGSOGFVBBQV-NDEPHWFRSA-N	0	1	569.455	6.510	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)cc1Cl	ZINC000053319338	554337228	/nfs/dbraw/zinc/33/72/28/554337228.db2.gz	AZKWSNWUUQBNSW-QFIPXVFZSA-N	0	1	527.802	5.675	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000053335290	554340635	/nfs/dbraw/zinc/34/06/35/554340635.db2.gz	LZQZQHHAMVRXQN-QHCPKHFHSA-N	0	1	529.530	5.067	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)cc1	ZINC000053337261	554342000	/nfs/dbraw/zinc/34/20/00/554342000.db2.gz	OCNRGNXMNIGZBG-NRFANRHFSA-N	0	1	539.382	5.989	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2	ZINC000053338737	554342748	/nfs/dbraw/zinc/34/27/48/554342748.db2.gz	KRLVJZGMFUJUKE-QFIPXVFZSA-N	0	1	549.948	5.412	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1	ZINC000053339124	554343007	/nfs/dbraw/zinc/34/30/07/554343007.db2.gz	PKIBAAPQKOEGNY-ZLOXQWCVSA-N	0	1	520.969	6.195	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000053339300	554343577	/nfs/dbraw/zinc/34/35/77/554343577.db2.gz	PNNHZIQHDRPYHG-ZLOXQWCVSA-N	0	1	520.969	6.195	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000053340146	554343744	/nfs/dbraw/zinc/34/37/44/554343744.db2.gz	RQGZFDXKYQFYSC-DEOSSOPVSA-N	0	1	593.455	6.012	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1	ZINC000053339843	554343953	/nfs/dbraw/zinc/34/39/53/554343953.db2.gz	ZAVFACRFGUKUQV-HXUWFJFHSA-N	0	1	547.630	6.648	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000053358635	554344953	/nfs/dbraw/zinc/34/49/53/554344953.db2.gz	DKERBHNWQHEKHH-QNLPTKCRSA-N	0	1	536.672	7.081	50	30		KKEAMN
CCOc1ccc(/N=C2/NC(=O)/C(=C\c3cc(Br)c(O)c(I)c3)S2)cc1	ZINC000053358629	554344977	/nfs/dbraw/zinc/34/49/77/554344977.db2.gz	MKWLCLLFDMHFHR-OQLLNIDSSA-N	0	1	545.196	5.050	50	30		KKEAMN
O=C(Oc1cccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)c1)c1ccccc1	ZINC000053359664	554345327	/nfs/dbraw/zinc/34/53/27/554345327.db2.gz	ZTNFRNGDLBOXOS-JOCIVYRRSA-N	0	1	590.679	8.120	50	30		KKEAMN
O=C(Oc1cccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)c1)c1ccccc1	ZINC000053359661	554345353	/nfs/dbraw/zinc/34/53/53/554345353.db2.gz	ZTNFRNGDLBOXOS-SDZGCHGRSA-N	0	1	590.679	8.120	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000100675221	554443314	/nfs/dbraw/zinc/44/33/14/554443314.db2.gz	SHROJGZFWVNOTL-MUUNZHRXSA-N	0	1	527.548	6.093	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000100675298	554443731	/nfs/dbraw/zinc/44/37/31/554443731.db2.gz	CCDDFJHGEINEFS-AREMUKBSSA-N	0	1	592.714	6.625	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCC)cc2)cc1	ZINC000100677306	554444639	/nfs/dbraw/zinc/44/46/39/554444639.db2.gz	IPMCHLYSTKERAQ-DEOSSOPVSA-N	0	1	564.660	5.989	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000100679529	554445276	/nfs/dbraw/zinc/44/52/76/554445276.db2.gz	MHCVFDXCDPVPMU-DEOSSOPVSA-N	0	1	562.644	5.683	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000100679711	554445679	/nfs/dbraw/zinc/44/56/79/554445679.db2.gz	NGELUPZQTKTZKM-QFIPXVFZSA-N	0	1	555.052	6.243	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000100680314	554446423	/nfs/dbraw/zinc/44/64/23/554446423.db2.gz	LJAXNBAQJPPBRF-QHCPKHFHSA-N	0	1	567.063	6.410	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000100680690	554446784	/nfs/dbraw/zinc/44/67/84/554446784.db2.gz	ZRYLZMBCDVNTFW-QFIPXVFZSA-N	0	1	536.606	5.209	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000100680403	554446828	/nfs/dbraw/zinc/44/68/28/554446828.db2.gz	PLBUWKQJWBYOHP-GDLZYMKVSA-N	0	1	624.715	7.548	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000100681022	554447160	/nfs/dbraw/zinc/44/71/60/554447160.db2.gz	MVHIQVMWWQXIGO-XMMPIXPASA-N	0	1	564.660	5.989	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2cccc(F)c2)nc1C	ZINC000100681048	554447186	/nfs/dbraw/zinc/44/71/86/554447186.db2.gz	BZMOVZCYIHMLOW-QHCPKHFHSA-N	0	1	550.608	5.895	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C	ZINC000100681011	554447218	/nfs/dbraw/zinc/44/72/18/554447218.db2.gz	OXDAVLPYEBQXQV-MUUNZHRXSA-N	0	1	634.751	6.944	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1	ZINC000100681125	554447227	/nfs/dbraw/zinc/44/72/27/554447227.db2.gz	WIIOGEVQCWZQFF-AREMUKBSSA-N	0	1	592.714	6.769	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(OC)c2)cc1	ZINC000100681116	554447241	/nfs/dbraw/zinc/44/72/41/554447241.db2.gz	JQWULEAHJXJTIP-JOCHJYFZSA-N	0	1	536.606	5.209	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000100681214	554447537	/nfs/dbraw/zinc/44/75/37/554447537.db2.gz	UXBLYKJFFKLMDY-IRPSRAIASA-N	0	1	551.680	6.056	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000100681247	554447569	/nfs/dbraw/zinc/44/75/69/554447569.db2.gz	KQESSCWFGNXWHS-LJAQVGFWSA-N	0	1	547.648	6.815	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000100681188	554447611	/nfs/dbraw/zinc/44/76/11/554447611.db2.gz	SLAPORDPOPICCN-DGPALRBDSA-N	0	1	541.644	6.202	50	30		KKEAMN
CCc1ccc2oc(-c3cc(/N=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)ccc3O)nc2c1	ZINC000100992007	554550422	/nfs/dbraw/zinc/55/04/22/554550422.db2.gz	FDKFBMPOJMUHFU-MWLSYYOVSA-N	0	1	524.489	7.122	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(Br)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000101069781	554574110	/nfs/dbraw/zinc/57/41/10/554574110.db2.gz	APGDBIZAZADHIX-JBCNATCCSA-N	0	1	584.289	6.756	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1	ZINC000101069823	554574371	/nfs/dbraw/zinc/57/43/71/554574371.db2.gz	SKFQXADIGGLKHZ-IAMBOQNYSA-N	0	1	553.865	6.955	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000101072818	554576442	/nfs/dbraw/zinc/57/64/42/554576442.db2.gz	KFGQBQRKMSZQGW-YDJIHCHBSA-N	0	1	570.262	6.448	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000101100215	554587130	/nfs/dbraw/zinc/58/71/30/554587130.db2.gz	RVBHOWOBCZWXDF-JBCNATCCSA-N	0	1	523.383	6.133	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000101101523	554638783	/nfs/dbraw/zinc/63/87/83/554638783.db2.gz	YAWLTNFDLSPGAU-LFVOPCPISA-N	0	1	511.422	6.055	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000101101525	554638816	/nfs/dbraw/zinc/63/88/16/554638816.db2.gz	YAWLTNFDLSPGAU-WOOAAIBNSA-N	0	1	511.422	6.055	50	30		KKEAMN
CCOC(=O)c1sc(N=Cc2c(C)[nH]n(-c3ccc(Br)c(C)c3C)c2=O)c(C#N)c1C	ZINC000101128400	554646681	/nfs/dbraw/zinc/64/66/81/554646681.db2.gz	FYZJNXAFRDMVPK-MHWRWJLKSA-N	0	1	501.406	5.203	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000101277583	554703850	/nfs/dbraw/zinc/70/38/50/554703850.db2.gz	IJXORONBYHLPQB-JBCNATCCSA-N	0	1	583.460	5.500	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000101278226	554704868	/nfs/dbraw/zinc/70/48/68/554704868.db2.gz	LJXBQFNXDZLCPG-SJKYFALESA-N	0	1	551.020	5.397	50	30		KKEAMN
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCC(=O)c3ccc(F)cc3)nn1[C@H]2c1ccc(Cl)cc1Cl	ZINC000101294961	554711822	/nfs/dbraw/zinc/71/18/22/554711822.db2.gz	LXPWRCFEYGCLMR-QFIPXVFZSA-N	0	1	531.440	6.357	50	30		KKEAMN
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCC(=O)c3ccc(F)cc3)nn1[C@@H]2c1ccc(Cl)cc1Cl	ZINC000101294964	554711836	/nfs/dbraw/zinc/71/18/36/554711836.db2.gz	LXPWRCFEYGCLMR-JOCHJYFZSA-N	0	1	531.440	6.357	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000101316817	554723868	/nfs/dbraw/zinc/72/38/68/554723868.db2.gz	LREGSNNFTZKAQQ-UUALVTFQSA-N	0	1	613.717	6.101	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000101316866	554724155	/nfs/dbraw/zinc/72/41/55/554724155.db2.gz	RUCPSDDNCMCQQJ-CZNAVJSXSA-N	0	1	617.680	5.932	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000101316977	554724385	/nfs/dbraw/zinc/72/43/85/554724385.db2.gz	XPIZKVVEMNGGDW-NSOCNUKWSA-N	0	1	615.708	6.484	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCC(=O)c4ccccc4)s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000101337930	554734549	/nfs/dbraw/zinc/73/45/49/554734549.db2.gz	UHAWFSTZUVECJM-HSZRJFAPSA-N	0	1	578.071	5.958	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000101338289	554734857	/nfs/dbraw/zinc/73/48/57/554734857.db2.gz	GAYRNVZLIZHZPE-VWLOTQADSA-N	0	1	610.132	7.503	50	30		KKEAMN
N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1	ZINC000101360197	554742047	/nfs/dbraw/zinc/74/20/47/554742047.db2.gz	HVVZVOAOZLBZFV-NDEPHWFRSA-N	0	1	547.486	7.738	50	30		KKEAMN
COc1ccc(OC)c([C@@H](CNc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)N2CCCCC2)c1	ZINC000101360994	554742516	/nfs/dbraw/zinc/74/25/16/554742516.db2.gz	YUTYNKJKSPJELI-GDLZYMKVSA-N	0	1	573.093	7.102	50	30		KKEAMN
N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@H](c1ccc(Cl)cc1)N1CCCC1	ZINC000101361297	554742730	/nfs/dbraw/zinc/74/27/30/554742730.db2.gz	OMALFAHZZSXWKW-HHHXNRCGSA-N	0	1	533.459	7.348	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000102169207	554891265	/nfs/dbraw/zinc/89/12/65/554891265.db2.gz	NGPJNRCQLKBSQE-KFLIVHAJSA-N	0	1	584.713	5.966	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nnc(C)s2)ccc1O	ZINC000102175781	554892238	/nfs/dbraw/zinc/89/22/38/554892238.db2.gz	XPXUFOMOANETTO-AREMUKBSSA-N	0	1	557.628	5.621	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C	ZINC000102175482	554892273	/nfs/dbraw/zinc/89/22/73/554892273.db2.gz	DQQGLPDWHUBRMO-SZYGQJGOSA-N	0	1	584.713	5.966	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000102486303	554938315	/nfs/dbraw/zinc/93/83/15/554938315.db2.gz	CJVFMMABZHQILG-NXLSWJSLSA-N	0	1	540.597	6.047	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000102487747	554938555	/nfs/dbraw/zinc/93/85/55/554938555.db2.gz	KHNVMRSRJPXUCT-NPJIAGGLSA-N	0	1	501.539	5.099	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102490382	554939163	/nfs/dbraw/zinc/93/91/63/554939163.db2.gz	IFSVEJQOOGPGNA-HOGKFDNTSA-N	0	1	501.520	5.230	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OC	ZINC000102493610	554940091	/nfs/dbraw/zinc/94/00/91/554940091.db2.gz	LBTYLUQSENKLSP-VEZPTTSMSA-N	0	1	567.642	5.300	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C	ZINC000102496400	554940867	/nfs/dbraw/zinc/94/08/67/554940867.db2.gz	LCMYHOACSHYIPX-ONQGDUAMSA-N	0	1	546.620	5.217	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1OC	ZINC000102497828	554941346	/nfs/dbraw/zinc/94/13/46/554941346.db2.gz	XGBMXZZBMBSLDT-CJJGVWJISA-N	0	1	557.628	5.377	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000102502899	554943646	/nfs/dbraw/zinc/94/36/46/554943646.db2.gz	BFTOXOJLTSAYOJ-WNQPQFFOSA-N	0	1	503.551	5.022	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000102510627	554946031	/nfs/dbraw/zinc/94/60/31/554946031.db2.gz	YOZZKGMWHOQZDY-QMMFTLRZSA-N	0	1	550.611	5.608	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000102514628	554947601	/nfs/dbraw/zinc/94/76/01/554947601.db2.gz	WLTIEMZVMXNQBY-WENCHWOGSA-N	0	1	541.644	6.210	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(OC)c3OC)sc2c1	ZINC000102516431	554947906	/nfs/dbraw/zinc/94/79/06/554947906.db2.gz	WMLMBYQJSGNEJP-MRJHHRETSA-N	0	1	522.604	5.400	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC	ZINC000102516790	554948239	/nfs/dbraw/zinc/94/82/39/554948239.db2.gz	DAAUUFXTUDUVQQ-VEZPTTSMSA-N	0	1	580.637	5.617	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccc3OC)sc2c1	ZINC000102521449	554949580	/nfs/dbraw/zinc/94/95/80/554949580.db2.gz	YWAQSWVWZOQZJS-MOBKVPTQSA-N	0	1	506.967	5.593	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(F)cc3)sc2c1	ZINC000102525525	554951874	/nfs/dbraw/zinc/95/18/74/554951874.db2.gz	RVXIVDUNPJAPIQ-ZHHPLPSFSA-N	0	1	504.539	5.469	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl	ZINC000102529906	554953394	/nfs/dbraw/zinc/95/33/94/554953394.db2.gz	FMXTZSCKNSSJGD-MRJHHRETSA-N	0	1	514.987	5.065	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(Cl)cc1	ZINC000102529693	554953452	/nfs/dbraw/zinc/95/34/52/554953452.db2.gz	PJZJUPGCXBSPGT-VEZPTTSMSA-N	0	1	617.068	10.006	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1	ZINC000102529802	554953481	/nfs/dbraw/zinc/95/34/81/554953481.db2.gz	JGRLGPOEBKOMGG-AYWGPLOBSA-N	0	1	520.994	5.983	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000102532612	554954513	/nfs/dbraw/zinc/95/45/13/554954513.db2.gz	YFPJOWOUSOIXAS-YELMDPSYSA-N	0	1	549.627	5.298	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000102532619	554954523	/nfs/dbraw/zinc/95/45/23/554954523.db2.gz	YFPJOWOUSOIXAS-FCLPXNLHSA-N	0	1	549.627	5.298	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1	ZINC000102538611	554956585	/nfs/dbraw/zinc/95/65/85/554956585.db2.gz	HQZUPFCNRJSYNK-HOGKFDNTSA-N	0	1	520.538	5.088	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000102539106	554956844	/nfs/dbraw/zinc/95/68/44/554956844.db2.gz	FTRJYXWMXGRAKY-QBCYBHDASA-N	0	1	545.632	6.193	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1	ZINC000102542021	554957630	/nfs/dbraw/zinc/95/76/30/554957630.db2.gz	IVFVOFKUQPBRRD-AHPONGEQSA-N	0	1	535.744	9.037	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102543405	554958098	/nfs/dbraw/zinc/95/80/98/554958098.db2.gz	YLISPRCIUZJYFG-ZHHPLPSFSA-N	0	1	506.530	5.990	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1	ZINC000102548972	554960851	/nfs/dbraw/zinc/96/08/51/554960851.db2.gz	IPAUEBUFQPGGIC-KYWXLPDZSA-N	0	1	565.420	6.148	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1	ZINC000102551373	554961861	/nfs/dbraw/zinc/96/18/61/554961861.db2.gz	JJQBQLNPHNFHHE-FSISNWKMSA-N	0	1	516.550	5.394	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000102551315	554961902	/nfs/dbraw/zinc/96/19/02/554961902.db2.gz	HXITWGGWJGFFJI-QMMFTLRZSA-N	0	1	533.580	5.915	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(Cl)cc2)s1	ZINC000102553207	554963086	/nfs/dbraw/zinc/96/30/86/554963086.db2.gz	XZEZMCJRVHOXJK-NXLSWJSLSA-N	0	1	532.021	6.014	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(Cl)cc2)s1	ZINC000102553217	554963169	/nfs/dbraw/zinc/96/31/69/554963169.db2.gz	XZEZMCJRVHOXJK-SBXHHDGASA-N	0	1	532.021	6.014	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000102556484	554964712	/nfs/dbraw/zinc/96/47/12/554964712.db2.gz	WJGUDYMYWIQUFG-WGGXKBPPSA-N	0	1	543.616	5.310	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000102561383	554968250	/nfs/dbraw/zinc/96/82/50/554968250.db2.gz	OETAVJMTLHDUOL-AYWGPLOBSA-N	0	1	562.987	5.134	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1	ZINC000102586924	554973587	/nfs/dbraw/zinc/97/35/87/554973587.db2.gz	UWEMSYGHMCMYAO-SBXHHDGASA-N	0	1	548.617	5.231	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1	ZINC000102588428	554973603	/nfs/dbraw/zinc/97/36/03/554973603.db2.gz	RZMFZJNXDCJEBC-HOGKFDNTSA-N	0	1	528.439	5.257	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000102591970	554974209	/nfs/dbraw/zinc/97/42/09/554974209.db2.gz	CSKNSVKEPCQGTQ-ZHHPLPSFSA-N	0	1	578.071	5.881	50	30		KKEAMN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000102597687	554977181	/nfs/dbraw/zinc/97/71/81/554977181.db2.gz	VDVWQKUZTPBCGH-CZNAVJSXSA-N	0	1	603.697	6.490	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccccc1	ZINC000102601506	554977649	/nfs/dbraw/zinc/97/76/49/554977649.db2.gz	BHQPOPIVZRZVAJ-QMMFTLRZSA-N	0	1	503.727	8.590	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc1OC	ZINC000102606078	554978786	/nfs/dbraw/zinc/97/87/86/554978786.db2.gz	MDOXMGKFDWYYDC-OWJWWREXSA-N	0	1	535.622	5.140	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC	ZINC000102606415	554979349	/nfs/dbraw/zinc/97/93/49/554979349.db2.gz	MGRGHVLODSFFMD-MOBKVPTQSA-N	0	1	528.439	5.257	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102643854	554991230	/nfs/dbraw/zinc/99/12/30/554991230.db2.gz	KWOQPAOUNJQGLP-DNNDWWBDSA-N	0	1	527.617	5.819	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102645477	554991891	/nfs/dbraw/zinc/99/18/91/554991891.db2.gz	PEKOSTQMVCLJQZ-LOOKCOSASA-N	0	1	513.590	5.429	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102647207	554993343	/nfs/dbraw/zinc/99/33/43/554993343.db2.gz	OQFPNLUCEJIRBD-FFMCZVIESA-N	0	1	555.671	6.600	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000102650038	554995245	/nfs/dbraw/zinc/99/52/45/554995245.db2.gz	FTRJYXWMXGRAKY-VXJPNWOUSA-N	0	1	545.632	6.193	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC	ZINC000102650739	554995549	/nfs/dbraw/zinc/99/55/49/554995549.db2.gz	DKDFIBVSLPAKMF-DFXXOVSGSA-N	0	1	628.703	6.159	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000102650326	554995590	/nfs/dbraw/zinc/99/55/90/554995590.db2.gz	QWLSKZDKAPHNSN-WSOTVMCUSA-N	0	1	575.661	6.262	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000102650956	554995675	/nfs/dbraw/zinc/99/56/75/554995675.db2.gz	XDVKSIDDZUKSEI-AMKIGSDESA-N	0	1	620.152	6.832	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000102654779	554997613	/nfs/dbraw/zinc/99/76/13/554997613.db2.gz	IFWYFQMLXCWIDV-NPJIAGGLSA-N	0	1	526.570	5.120	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1	ZINC000102655232	554998065	/nfs/dbraw/zinc/99/80/65/554998065.db2.gz	RSCQKEAXOBTMHN-XLNMUAQOSA-N	0	1	504.514	5.524	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000102655446	554998258	/nfs/dbraw/zinc/99/82/58/554998258.db2.gz	PZNROVYMGXBGRG-WMRKGWLDSA-N	0	1	529.637	5.288	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102655745	554998692	/nfs/dbraw/zinc/99/86/92/554998692.db2.gz	BLYHBIIIFSMMKQ-KNZGKXHUSA-N	0	1	577.456	6.017	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000102656196	554999127	/nfs/dbraw/zinc/99/91/27/554999127.db2.gz	WKVNYRAWKOVRQD-TVKWNQJWSA-N	0	1	549.627	5.298	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000102657569	554999637	/nfs/dbraw/zinc/99/96/37/554999637.db2.gz	HVTOXUZYSRLQCF-BBHOXHGRSA-N	0	1	577.634	6.058	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000102663144	555000938	/nfs/dbraw/zinc/00/09/38/555000938.db2.gz	HIIWMOVEWZBIAO-QNIVJUIWSA-N	0	1	589.670	5.928	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000102680770	555005274	/nfs/dbraw/zinc/00/52/74/555005274.db2.gz	JHQYXTFUCUPEGS-WKUSSTJHSA-N	0	1	609.704	7.072	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000102699037	555012424	/nfs/dbraw/zinc/01/24/24/555012424.db2.gz	MYNWIEIQYYQGIO-WGGXKBPPSA-N	0	1	539.584	5.806	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccc(C(C)(C)C)cc3)cc2)c1	ZINC000102700413	555012862	/nfs/dbraw/zinc/01/28/62/555012862.db2.gz	NYPCHYYKOQRSJG-MIOXIQPJSA-N	0	1	526.677	5.855	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC	ZINC000102706340	555014782	/nfs/dbraw/zinc/01/47/82/555014782.db2.gz	WWNUFPQPKPOTPJ-AYWGPLOBSA-N	0	1	504.564	5.485	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000102729376	555022979	/nfs/dbraw/zinc/02/29/79/555022979.db2.gz	UMEBVYGPRMRAHC-UUALVTFQSA-N	0	1	524.529	5.697	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000102735218	555024947	/nfs/dbraw/zinc/02/49/47/555024947.db2.gz	SMVONXWOVPVOLR-GYBOJBDRSA-N	0	1	531.608	6.211	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000102735306	555025355	/nfs/dbraw/zinc/02/53/55/555025355.db2.gz	XESKBVLAHZYSNK-VDBNUPDGSA-N	0	1	531.608	6.211	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102736973	555026405	/nfs/dbraw/zinc/02/64/05/555026405.db2.gz	TWAIIZIRKRLBJO-KNZGKXHUSA-N	0	1	543.557	5.163	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1	ZINC000102771061	555059474	/nfs/dbraw/zinc/05/94/74/555059474.db2.gz	KMCXZOAGTOMQQS-YMCWBSDSSA-N	0	1	537.424	6.553	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1	ZINC000102771103	555059508	/nfs/dbraw/zinc/05/95/08/555059508.db2.gz	KSIJWZJCDYZFEB-KYWXLPDZSA-N	0	1	520.969	6.039	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1	ZINC000102771105	555059665	/nfs/dbraw/zinc/05/96/65/555059665.db2.gz	KSIJWZJCDYZFEB-FECHNCLXSA-N	0	1	520.969	6.039	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102771315	555060001	/nfs/dbraw/zinc/06/00/01/555060001.db2.gz	PBDLXELTLIFQJU-HALAOQOWSA-N	0	1	594.089	6.573	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102771313	555060023	/nfs/dbraw/zinc/06/00/23/555060023.db2.gz	PBDLXELTLIFQJU-AIKCTZLLSA-N	0	1	594.089	6.573	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102771278	555060035	/nfs/dbraw/zinc/06/00/35/555060035.db2.gz	UHFASTFAGTWKTI-KYWXLPDZSA-N	0	1	520.969	6.039	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccnc3)ccc2O1	ZINC000102771481	555060552	/nfs/dbraw/zinc/06/05/52/555060552.db2.gz	CCBGHMPPSNXIIF-YFFBQLFZSA-N	0	1	503.967	5.294	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000102859107	555089318	/nfs/dbraw/zinc/08/93/18/555089318.db2.gz	PHFJMSAJOWHHNS-ICQXDZJJSA-N	0	1	541.644	5.862	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000102858561	555089425	/nfs/dbraw/zinc/08/94/25/555089425.db2.gz	YMBNEOINHJREEW-SBXHHDGASA-N	0	1	564.591	5.486	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000102861057	555091345	/nfs/dbraw/zinc/09/13/45/555091345.db2.gz	AMNFSNAOCTYPLR-KXDYMIPJSA-N	0	1	501.579	5.794	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC	ZINC000102861636	555091968	/nfs/dbraw/zinc/09/19/68/555091968.db2.gz	BTVYLFUJDZSTIY-UUALVTFQSA-N	0	1	546.620	5.073	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Br)c2)nc1C	ZINC000102862119	555091995	/nfs/dbraw/zinc/09/19/95/555091995.db2.gz	YNXNAERUWKKEIF-SELCWUDQSA-N	0	1	545.386	5.156	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102862769	555092524	/nfs/dbraw/zinc/09/25/24/555092524.db2.gz	DOYAWPOMTUOPHU-ICQXDZJJSA-N	0	1	541.644	6.210	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(OC)c3OC)sc2c1	ZINC000102864038	555093921	/nfs/dbraw/zinc/09/39/21/555093921.db2.gz	ILRGDLKXEMXSOJ-YDJIHCHBSA-N	0	1	508.577	5.010	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000102864208	555093983	/nfs/dbraw/zinc/09/39/83/555093983.db2.gz	MQVHEJDUCDJWAH-ZHHPLPSFSA-N	0	1	520.563	5.240	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)c(C)c1	ZINC000102865284	555094861	/nfs/dbraw/zinc/09/48/61/555094861.db2.gz	KPKHVEBCIIGSNJ-CZNAVJSXSA-N	0	1	571.512	5.080	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000102865620	555095224	/nfs/dbraw/zinc/09/52/24/555095224.db2.gz	FRQRCHIANCRGNC-QMMFTLRZSA-N	0	1	550.611	5.695	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000102866330	555095435	/nfs/dbraw/zinc/09/54/35/555095435.db2.gz	DKEJIBOAHHVEID-QJGFIUGVSA-N	0	1	542.632	5.605	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(F)cc3)sc2c1	ZINC000102866619	555095958	/nfs/dbraw/zinc/09/59/58/555095958.db2.gz	MXNQFRHJFVTNSA-NXLSWJSLSA-N	0	1	532.549	5.232	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000102867411	555097020	/nfs/dbraw/zinc/09/70/20/555097020.db2.gz	GOBMUBCWDWJZOW-PEHBIRLUSA-N	0	1	577.058	6.307	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000102867555	555097074	/nfs/dbraw/zinc/09/70/74/555097074.db2.gz	DIKMFJNLYNZYGU-DFXXOVSGSA-N	0	1	513.590	5.301	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCCC(C)C	ZINC000102869557	555099189	/nfs/dbraw/zinc/09/91/89/555099189.db2.gz	XPCBWLLEHBDHQP-SBXHHDGASA-N	0	1	510.974	5.696	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccncc2)ccc1O	ZINC000102869837	555099500	/nfs/dbraw/zinc/09/95/00/555099500.db2.gz	YDGOORKFIPSNLR-VEZPTTSMSA-N	0	1	550.611	5.695	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000102869814	555099524	/nfs/dbraw/zinc/09/95/24/555099524.db2.gz	WBBIIJQFWQLFFX-AMKIGSDESA-N	0	1	603.697	6.318	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000102869809	555099576	/nfs/dbraw/zinc/09/95/76/555099576.db2.gz	WBBIIJQFWQLFFX-XVTRYDTASA-N	0	1	603.697	6.318	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000102875189	555105336	/nfs/dbraw/zinc/10/53/36/555105336.db2.gz	YNFCWIWTHXVRDG-YDJIHCHBSA-N	0	1	513.384	5.148	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000102875394	555105415	/nfs/dbraw/zinc/10/54/15/555105415.db2.gz	ZPCOWYFGCHHAAP-MIOXIQPJSA-N	0	1	565.626	5.069	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000102876840	555106630	/nfs/dbraw/zinc/10/66/30/555106630.db2.gz	GZZCUMPRHBXYTR-KFLIVHAJSA-N	0	1	600.712	5.125	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000102877094	555106710	/nfs/dbraw/zinc/10/67/10/555106710.db2.gz	SCWVRJULSSSSQR-ZHHPLPSFSA-N	0	1	504.539	5.469	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000102876843	555106741	/nfs/dbraw/zinc/10/67/41/555106741.db2.gz	GZZCUMPRHBXYTR-SZYGQJGOSA-N	0	1	600.712	5.125	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102878009	555107274	/nfs/dbraw/zinc/10/72/74/555107274.db2.gz	RJWQLXKFHFKMKR-NHFXJNLRSA-N	0	1	525.380	5.677	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102879276	555108481	/nfs/dbraw/zinc/10/84/81/555108481.db2.gz	QETZONOYERPLCG-MOBKVPTQSA-N	0	1	569.864	6.737	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000102880204	555109340	/nfs/dbraw/zinc/10/93/40/555109340.db2.gz	ZJQCJLNECVXKFM-AYWGPLOBSA-N	0	1	567.019	5.610	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102883734	555112290	/nfs/dbraw/zinc/11/22/90/555112290.db2.gz	MEORUSPHMAHIQN-HOGKFDNTSA-N	0	1	535.965	5.883	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1	ZINC000102884589	555113750	/nfs/dbraw/zinc/11/37/50/555113750.db2.gz	OTYQBVWJKGCCTI-JFTLGNCFSA-N	0	1	530.577	5.784	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1	ZINC000102884584	555113837	/nfs/dbraw/zinc/11/38/37/555113837.db2.gz	OTYQBVWJKGCCTI-CGKJMNDRSA-N	0	1	530.577	5.784	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1	ZINC000102884718	555114157	/nfs/dbraw/zinc/11/41/57/555114157.db2.gz	NELPNFOHBSZTKI-ZORLYMSLSA-N	0	1	578.621	5.452	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1	ZINC000102884717	555114226	/nfs/dbraw/zinc/11/42/26/555114226.db2.gz	NELPNFOHBSZTKI-AHPONGEQSA-N	0	1	578.621	5.452	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102884835	555114493	/nfs/dbraw/zinc/11/44/93/555114493.db2.gz	TZIJMQVEUDOCRO-SBXHHDGASA-N	0	1	559.556	5.001	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OCc2ccccc2)c1	ZINC000102885556	555115730	/nfs/dbraw/zinc/11/57/30/555115730.db2.gz	NSYMHDCOSXHFKB-FGEDTZIGSA-N	0	1	513.590	5.047	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102886901	555117773	/nfs/dbraw/zinc/11/77/73/555117773.db2.gz	UPIGAUWMFGGVSC-ZORLYMSLSA-N	0	1	571.670	6.090	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000102887139	555118223	/nfs/dbraw/zinc/11/82/23/555118223.db2.gz	NYLLOEADLPERFC-XVTRYDTASA-N	0	1	603.697	6.318	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000102887434	555119226	/nfs/dbraw/zinc/11/92/26/555119226.db2.gz	SQBOGJXESIFOPF-TVXPFAQOSA-N	0	1	606.697	5.765	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000102887360	555119253	/nfs/dbraw/zinc/11/92/53/555119253.db2.gz	MXSGMNPGGXBBAC-VMFRQMAUSA-N	0	1	629.760	6.578	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000102887788	555120117	/nfs/dbraw/zinc/12/01/17/555120117.db2.gz	SEEXHYXBJFGPBG-WBMUNJTESA-N	0	1	617.680	5.706	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000102888263	555121080	/nfs/dbraw/zinc/12/10/80/555121080.db2.gz	FWTOIUXJIIMMQG-XCSSDTEYSA-N	0	1	613.717	5.875	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000102888407	555121516	/nfs/dbraw/zinc/12/15/16/555121516.db2.gz	XRNRSNMWIIYLNP-HWTUVFLMSA-N	0	1	621.740	6.942	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000102889387	555123604	/nfs/dbraw/zinc/12/36/04/555123604.db2.gz	TXISKOCCAGBZAZ-HVESIFNPSA-N	0	1	503.363	5.171	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000102889932	555124407	/nfs/dbraw/zinc/12/44/07/555124407.db2.gz	WHZKVPIMTSBJRT-HOGKFDNTSA-N	0	1	573.841	6.654	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102890204	555125216	/nfs/dbraw/zinc/12/52/16/555125216.db2.gz	FSTCOWDZGYXJGX-MOBKVPTQSA-N	0	1	553.865	6.901	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102890349	555125628	/nfs/dbraw/zinc/12/56/28/555125628.db2.gz	DSHCOBGEDNIMMA-SBXHHDGASA-N	0	1	593.455	5.855	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000102890924	555126424	/nfs/dbraw/zinc/12/64/24/555126424.db2.gz	CFUJCKNZJDWNJO-WZEFDDPJSA-N	0	1	529.637	5.288	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000102890862	555126450	/nfs/dbraw/zinc/12/64/50/555126450.db2.gz	FEWVCGGDLQKRFT-DFXXOVSGSA-N	0	1	513.590	5.301	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC	ZINC000102891275	555126836	/nfs/dbraw/zinc/12/68/36/555126836.db2.gz	WHNOHZHOTSMXOM-IUKMQXEJSA-N	0	1	506.555	5.196	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccnc3)s2)cc1	ZINC000102891596	555127427	/nfs/dbraw/zinc/12/74/27/555127427.db2.gz	DRKSCGZGPALDEJ-MRJHHRETSA-N	0	1	500.605	5.160	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000102893108	555129937	/nfs/dbraw/zinc/12/99/37/555129937.db2.gz	QPJQNKNTCAZHCV-QNIVJUIWSA-N	0	1	617.680	5.706	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000102893109	555129971	/nfs/dbraw/zinc/12/99/71/555129971.db2.gz	QPJQNKNTCAZHCV-WBMUNJTESA-N	0	1	617.680	5.706	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C	ZINC000102893722	555131407	/nfs/dbraw/zinc/13/14/07/555131407.db2.gz	CEMFFTXZNMFDBH-MIOXIQPJSA-N	0	1	558.631	5.298	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1	ZINC000102894885	555133242	/nfs/dbraw/zinc/13/32/42/555133242.db2.gz	TVJVWIZUIMBIGY-WGGXKBPPSA-N	0	1	512.650	5.681	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(N(C)C)cc3)cc2)c1	ZINC000102895077	555133415	/nfs/dbraw/zinc/13/34/15/555133415.db2.gz	NZYDLQKSNSPOQO-VEZPTTSMSA-N	0	1	550.659	5.349	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1	ZINC000102895210	555133728	/nfs/dbraw/zinc/13/37/28/555133728.db2.gz	WUFNMBKRGDBSRU-FGEDTZIGSA-N	0	1	512.606	5.596	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102924855	555148925	/nfs/dbraw/zinc/14/89/25/555148925.db2.gz	AEAFWBKWOPEMAN-MRJHHRETSA-N	0	1	505.508	5.131	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000102924899	555149145	/nfs/dbraw/zinc/14/91/45/555149145.db2.gz	NQDQTGWJSDFPSV-HOGKFDNTSA-N	0	1	553.409	6.223	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC	ZINC000102926123	555150291	/nfs/dbraw/zinc/15/02/91/555150291.db2.gz	IAEGKQNLYNUREC-ZHHPLPSFSA-N	0	1	536.631	5.790	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000102927245	555152005	/nfs/dbraw/zinc/15/20/05/555152005.db2.gz	QVMPHRYIRSRGQF-MIOXIQPJSA-N	0	1	526.677	5.855	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000102927245	555152008	/nfs/dbraw/zinc/15/20/08/555152008.db2.gz	QVMPHRYIRSRGQF-MIOXIQPJSA-N	0	1	526.677	5.855	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102927559	555152213	/nfs/dbraw/zinc/15/22/13/555152213.db2.gz	HNTHMYASZPOISF-FFMCZVIESA-N	0	1	555.671	6.252	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000102928069	555153163	/nfs/dbraw/zinc/15/31/63/555153163.db2.gz	RALBTBBYGJFSEQ-JBCNATCCSA-N	0	1	508.577	5.010	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	ZINC000102929501	555155277	/nfs/dbraw/zinc/15/52/77/555155277.db2.gz	PFKLJEKUFRRYAV-WOOAAIBNSA-N	0	1	514.719	5.032	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Br)cc1	ZINC000102930162	555156413	/nfs/dbraw/zinc/15/64/13/555156413.db2.gz	IPEIFJGGJORQRN-CJJGVWJISA-N	0	1	549.465	5.320	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000102930432	555157080	/nfs/dbraw/zinc/15/70/80/555157080.db2.gz	CZJCBHFJCKQIBH-ANBMCXBTSA-N	0	1	575.661	6.610	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4C)cc3)[C@H]2c2cccc(Cl)c2)s1	ZINC000102930829	555158006	/nfs/dbraw/zinc/15/80/06/555158006.db2.gz	JQASGVCHFAMTIU-SBXHHDGASA-N	0	1	532.021	6.014	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000102931491	555159245	/nfs/dbraw/zinc/15/92/45/555159245.db2.gz	IZUQYWHESBHWDM-CZNAVJSXSA-N	0	1	603.096	6.795	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1O	ZINC000102937659	555165731	/nfs/dbraw/zinc/16/57/31/555165731.db2.gz	DLNQMQIWCHMUFB-RUZDIDTESA-N	0	1	621.649	5.080	50	30		KKEAMN
C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(N(CC)CC)c(S(=O)(=O)Nc3ccccc3OC)c2)c1	ZINC000102971999	555181913	/nfs/dbraw/zinc/18/19/13/555181913.db2.gz	JMMZFYORIQSJKO-UHFFFAOYSA-N	0	1	550.725	6.432	50	30		KKEAMN
CCCCCCCCCCCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)[C@@H](C)CC	ZINC000102999542	555199215	/nfs/dbraw/zinc/19/92/15/555199215.db2.gz	JRRUKYCSPLAZQJ-NDEPHWFRSA-N	0	1	537.837	7.371	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000100735753	571361150	/nfs/dbraw/zinc/36/11/50/571361150.db2.gz	FGAKELFPMCSZEV-HSZRJFAPSA-N	0	1	566.632	5.135	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000103928936	571370135	/nfs/dbraw/zinc/37/01/35/571370135.db2.gz	ZPBGISYAMUSIJQ-YDJIHCHBSA-N	0	1	571.449	5.334	50	30		KKEAMN
Cc1ccc(/N=C2/c3ccccc3N(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1Br	ZINC000104429941	571381036	/nfs/dbraw/zinc/38/10/36/571381036.db2.gz	CDUZLRYRYGRRGH-LLZINOMRSA-N	0	1	579.542	6.590	50	30		KKEAMN
Cc1ccccc1NC(=O)c1cc2ccccc2c(/C=N/c2c(Cl)cccc2S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)c1O	ZINC000150353938	571462879	/nfs/dbraw/zinc/46/28/79/571462879.db2.gz	YGSQXXBQQKZITQ-JAVCYFNSSA-N	0	1	646.968	8.074	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150387090	571469777	/nfs/dbraw/zinc/46/97/77/571469777.db2.gz	WQMWNXHUUDIZBP-DFXXOVSGSA-N	0	1	663.749	6.555	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000150391958	571474286	/nfs/dbraw/zinc/47/42/86/571474286.db2.gz	DLKSEEIAABETHR-CZNAVJSXSA-N	0	1	647.547	6.904	50	30		KKEAMN
Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1ccc(F)cc1	ZINC000150404460	571479078	/nfs/dbraw/zinc/47/90/78/571479078.db2.gz	GTTUEWUXBJEJFL-MHZLTWQESA-N	0	1	650.782	8.338	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000150414020	571484943	/nfs/dbraw/zinc/48/49/43/571484943.db2.gz	PYXGHWHTBGYKHT-YTTGMZPUSA-N	0	1	659.764	9.006	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000150417769	571486322	/nfs/dbraw/zinc/48/63/22/571486322.db2.gz	GJHYBIOBKMKZGX-UUALVTFQSA-N	0	1	700.622	7.332	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000150422198	571488064	/nfs/dbraw/zinc/48/80/64/571488064.db2.gz	ATQWIISOWXZCHV-JHRPXHEESA-N	0	1	699.810	7.960	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000150422213	571488205	/nfs/dbraw/zinc/48/82/05/571488205.db2.gz	ZFEYBRVWBRBPHQ-QMMFTLRZSA-N	0	1	684.195	7.460	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C	ZINC000150424582	571489154	/nfs/dbraw/zinc/48/91/54/571489154.db2.gz	XJUWVZQRZBIWQF-RIEKNRFYSA-N	0	1	689.831	7.743	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C	ZINC000150424594	571489323	/nfs/dbraw/zinc/48/93/23/571489323.db2.gz	XJUWVZQRZBIWQF-NNZNMFTDSA-N	0	1	689.831	7.743	50	30		KKEAMN
CCCCN(CCCC)S(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)N(CCCC)CCCC)cc1[N+](=O)[O-])C2=NO	ZINC000150425773	571490082	/nfs/dbraw/zinc/49/00/82/571490082.db2.gz	LZBGPBGRMBWBFP-UHFFFAOYSA-N	0	1	667.807	5.892	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000150426649	571490881	/nfs/dbraw/zinc/49/08/81/571490881.db2.gz	MWQIIKDOJYSFOA-HWTUVFLMSA-N	0	1	649.750	6.720	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000150426560	571490931	/nfs/dbraw/zinc/49/09/31/571490931.db2.gz	FACPDLLUUXPGRE-SBXHHDGASA-N	0	1	670.552	6.321	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000150426808	571491071	/nfs/dbraw/zinc/49/10/71/571491071.db2.gz	UECPOOLZHDSPEC-NXLSWJSLSA-N	0	1	636.107	5.668	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000150426791	571491106	/nfs/dbraw/zinc/49/11/06/571491106.db2.gz	GOCQOEBYHGTZJY-FSDXSRJSSA-N	0	1	634.135	6.220	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)nc1C	ZINC000150434361	571494893	/nfs/dbraw/zinc/49/48/93/571494893.db2.gz	AYVFXOCAIZPHDO-GDLZYMKVSA-N	0	1	648.778	7.190	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1	ZINC000150435598	571495593	/nfs/dbraw/zinc/49/55/93/571495593.db2.gz	PMSLSEYZZZLOFU-KVKFUISSSA-N	0	1	741.891	8.911	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1	ZINC000150439902	571497481	/nfs/dbraw/zinc/49/74/81/571497481.db2.gz	VYFRXGUGTUNNRV-HTDBSKDNSA-N	0	1	726.276	8.411	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C	ZINC000150445300	571500388	/nfs/dbraw/zinc/50/03/88/571500388.db2.gz	DUCWJVUCEVKFER-UUALVTFQSA-N	0	1	636.723	5.849	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000150445731	571500726	/nfs/dbraw/zinc/50/07/26/571500726.db2.gz	QXFMDUZJAZNDKG-VMFRQMAUSA-N	0	1	631.751	7.098	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000150453784	571503755	/nfs/dbraw/zinc/50/37/55/571503755.db2.gz	PFKKDRXKPJAABF-LXIOPLLASA-N	0	1	637.508	6.121	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150454006	571503806	/nfs/dbraw/zinc/50/38/06/571503806.db2.gz	HISKGDICXHCIRS-CDXXWDJZSA-N	0	1	697.838	8.512	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1	ZINC000150453849	571503823	/nfs/dbraw/zinc/50/38/23/571503823.db2.gz	GKIJUJGYQGTAPL-KFLIVHAJSA-N	0	1	650.709	6.680	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150457083	571504777	/nfs/dbraw/zinc/50/47/77/571504777.db2.gz	LWZQMYQLJRPHKJ-QMDVFYPZSA-N	0	1	659.761	6.883	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150457703	571505047	/nfs/dbraw/zinc/50/50/47/571505047.db2.gz	MKHIVYJSBDUFCO-DDLSXHCZSA-N	0	1	692.259	8.011	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150457969	571505243	/nfs/dbraw/zinc/50/52/43/571505243.db2.gz	LCLFXFGTOJEZFG-QJGFIUGVSA-N	0	1	643.787	6.968	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150458707	571505482	/nfs/dbraw/zinc/50/54/82/571505482.db2.gz	CSMVLPGZCSFUOR-GSYBUTJLSA-N	0	1	655.798	7.052	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)s2)cc1	ZINC000150458122	571505526	/nfs/dbraw/zinc/50/55/26/571505526.db2.gz	HXNLTSRGMGIPIT-ZCCBWQDPSA-N	0	1	661.805	7.668	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000150459434	571505674	/nfs/dbraw/zinc/50/56/74/571505674.db2.gz	MGBFBEXJEZOLBN-RJIUIVJKSA-N	0	1	672.759	8.100	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000150460302	571505899	/nfs/dbraw/zinc/50/58/99/571505899.db2.gz	PSQUSMYICFTOTI-DDLSXHCZSA-N	0	1	692.259	8.011	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000150460652	571506029	/nfs/dbraw/zinc/50/60/29/571506029.db2.gz	LXHVFFQYHQIHKY-PSXXPYPYSA-N	0	1	707.874	8.511	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)s2)cc1	ZINC000150460629	571506047	/nfs/dbraw/zinc/50/60/47/571506047.db2.gz	JKLBPGVAZJASOH-TVKWNQJWSA-N	0	1	641.815	7.513	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O	ZINC000150460509	571506221	/nfs/dbraw/zinc/50/62/21/571506221.db2.gz	XUHBUAZGIZRTQC-WTPDXTQDSA-N	0	1	627.900	6.376	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000150462865	571506723	/nfs/dbraw/zinc/50/67/23/571506723.db2.gz	ZVYZBUBZZSZXNM-DDLSXHCZSA-N	0	1	675.804	7.497	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000150463180	571506884	/nfs/dbraw/zinc/50/68/84/571506884.db2.gz	IJVXLJJBEOTLQE-DNNDWWBDSA-N	0	1	645.778	7.344	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150463877	571507563	/nfs/dbraw/zinc/50/75/63/571507563.db2.gz	GHIQIZFTIAXKMO-ICQXDZJJSA-N	0	1	657.814	7.358	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150467451	571508046	/nfs/dbraw/zinc/50/80/46/571508046.db2.gz	ALDPAEAXLISTFZ-TXTDGAROSA-N	0	1	643.743	6.191	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150469469	571508563	/nfs/dbraw/zinc/50/85/63/571508563.db2.gz	UZYONSMJFVBLET-QMMFTLRZSA-N	0	1	708.258	7.849	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150473617	571510391	/nfs/dbraw/zinc/51/03/91/571510391.db2.gz	FCQKMIILEQPXIK-WGGXKBPPSA-N	0	1	694.231	7.459	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000150475834	571510858	/nfs/dbraw/zinc/51/08/58/571510858.db2.gz	LAOGLNRQSDBICE-YSJQHINGSA-N	0	1	740.731	9.055	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000150475837	571510876	/nfs/dbraw/zinc/51/08/76/571510876.db2.gz	LAOGLNRQSDBICE-SMOAUKQDSA-N	0	1	740.731	9.055	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150476588	571511037	/nfs/dbraw/zinc/51/10/37/571511037.db2.gz	VUPPKRKZTNDVJT-KFLIVHAJSA-N	0	1	679.820	7.806	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000150479359	571511571	/nfs/dbraw/zinc/51/15/71/571511571.db2.gz	RJIKOQZFJBKBTK-TXTDGAROSA-N	0	1	647.750	6.936	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000150479359	571511574	/nfs/dbraw/zinc/51/15/74/571511574.db2.gz	RJIKOQZFJBKBTK-TXTDGAROSA-N	0	1	647.750	6.936	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000150482910	571513676	/nfs/dbraw/zinc/51/36/76/571513676.db2.gz	XRYRFNCECYHCES-DFXXOVSGSA-N	0	1	647.750	6.792	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000150485494	571515863	/nfs/dbraw/zinc/51/58/63/571515863.db2.gz	VULMHLJPDSBQAW-PMERELPUSA-N	0	1	690.872	8.987	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000150486365	571516416	/nfs/dbraw/zinc/51/64/16/571516416.db2.gz	WGGTVAGDGFMINY-YZUJGMDRSA-N	0	1	726.704	8.665	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150486757	571516565	/nfs/dbraw/zinc/51/65/65/571516565.db2.gz	OFJQFMSNVJIRTN-LOTNQUKISA-N	0	1	716.668	8.666	50	30		KKEAMN
CCCCCCCCCCCCCCCCn1c(NN=Cc2cc(Br)c(O)c(OC)c2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000261493128	572111340	/nfs/dbraw/zinc/11/13/40/572111340.db2.gz	HYGCZZNZCPHEOP-RUMWWMSVSA-N	0	1	633.632	7.240	50	30		KKEAMN
CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCCC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1	ZINC000227069097	572149087	/nfs/dbraw/zinc/14/90/87/572149087.db2.gz	XSNYUNULXNPZAW-DCMFLLSESA-N	0	1	556.703	7.266	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1C=Nc1ccc2oc(-c3ccccc3Cl)nc2c1	ZINC000252591154	572266656	/nfs/dbraw/zinc/26/66/56/572266656.db2.gz	AYBVTCUUMHGCGU-UHFFFAOYSA-N	0	1	506.581	7.129	50	30		KKEAMN
COc1ccc(-c2nc3ccccc3o2)cc1N=Cc1cc(Br)cc(Br)c1O	ZINC000252594538	572266931	/nfs/dbraw/zinc/26/69/31/572266931.db2.gz	BTHUGKQGXIIZRN-UHFFFAOYSA-N	0	1	502.162	6.485	50	30		KKEAMN
N#Cc1c2c(sc1N=Cc1cc(Br)cc(Br)c1[O-])C[N@H+](Cc1ccccc1)CC2	ZINC000252626050	572270560	/nfs/dbraw/zinc/27/05/60/572270560.db2.gz	QVBRHRLFFRLVFW-UHFFFAOYSA-N	0	1	531.273	6.159	50	30		KKEAMN
N#Cc1c2c(sc1N=Cc1cc(Br)cc(Br)c1[O-])C[N@@H+](Cc1ccccc1)CC2	ZINC000252626050	572270561	/nfs/dbraw/zinc/27/05/61/572270561.db2.gz	QVBRHRLFFRLVFW-UHFFFAOYSA-N	0	1	531.273	6.159	50	30		KKEAMN
BrC(=CC=Nc1ccc(-c2nc3ccc(N=CC=C(Br)c4ccccc4)cc3[nH]2)cc1)c1ccccc1	ZINC000252627533	572270769	/nfs/dbraw/zinc/27/07/69/572270769.db2.gz	RWKXMVREAJZDII-BHLMDJLESA-N	0	1	610.353	9.507	50	30		KKEAMN
Oc1ccccc1C=Nc1ccc2[nH]c(-c3ccc(-c4nc5ccc(N=Cc6ccccc6O)cc5[nH]4)cc3)nc2c1	ZINC000252628299	572270918	/nfs/dbraw/zinc/27/09/18/572270918.db2.gz	SNDFAYYOGSFCBU-UHFFFAOYSA-N	0	1	548.606	7.686	50	30		KKEAMN
CCCCCCCCCCCCCCCCn1c2ccccc2nc1N=Cc1cc(Cl)cc(Br)c1O	ZINC000252628750	572271046	/nfs/dbraw/zinc/27/10/46/572271046.db2.gz	SWVZQWUCPDLETA-UHFFFAOYSA-N	0	1	575.035	10.390	50	30		KKEAMN
COc1ccccc1[C@H](CNC(C)=C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O)c1c[nH]c2ccccc21	ZINC000253399060	572284669	/nfs/dbraw/zinc/28/46/69/572284669.db2.gz	COPMMUABHNCDCQ-QVYSEMLRSA-N	0	1	592.648	5.480	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@@H](CCC(C)C)[C@H]3CCOC(C)(C)C3)C1=O)O2	ZINC000253404728	572286076	/nfs/dbraw/zinc/28/60/76/572286076.db2.gz	HYCNKKGGDFCLBZ-ZLZRCYAOSA-N	0	1	567.723	5.806	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@@H](CCC(C)C)[C@@H]3CCOC(C)(C)C3)C1=O)O2	ZINC000253404718	572286113	/nfs/dbraw/zinc/28/61/13/572286113.db2.gz	HYCNKKGGDFCLBZ-LPNUNGKUSA-N	0	1	567.723	5.806	50	30		KKEAMN
COc1ccc([C@@H](CNC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)c2c(C)[nH]c3ccccc32)cc1	ZINC000253406219	572286228	/nfs/dbraw/zinc/28/62/28/572286228.db2.gz	ITYYJQRGOHGCIZ-WPHUZWFUSA-N	0	1	606.675	5.789	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC[C@]3(C)CCC[C@]4(C)c5ccc(C(C)C)cc5CC[C@@H]34)C1=O)O2	ZINC000253414421	572288917	/nfs/dbraw/zinc/28/89/17/572288917.db2.gz	XLLCZKSDIVPBCY-XHQZAPCNSA-N	0	1	611.779	6.992	50	30		KKEAMN
CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c(O)c3C)C(=O)C(=C(Cc3cc(C)cc(C)c3)C4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O	ZINC000253488029	572291131	/nfs/dbraw/zinc/29/11/31/572291131.db2.gz	VSXAFEPYVMYOJE-LASYNVCASA-N	0	1	813.941	5.860	50	30		KKEAMN
C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000254305689	572302351	/nfs/dbraw/zinc/30/23/51/572302351.db2.gz	VDUIMSYELFBSAE-UHFFFAOYSA-N	0	1	512.060	5.496	50	30		KKEAMN
O=C1/C(=C/c2cc(Br)cc(Br)c2O)CC/C1=C/c1cc(Br)cc(Br)c1[O-]	ZINC000102944842	1070981768	/nfs/dbraw/zinc/98/17/68/1070981768.db2.gz	KNTODSPKTQNBLZ-INWPEIIHSA-N	0	1	607.918	6.978	50	30		KKEAMN
CCn1c2ccccc2c2cc(C=NN=C3NC(=O)C(Cc4ccc(SC(F)F)cc4)S3)ccc21	ZINC000585680918	1071129647	/nfs/dbraw/zinc/12/96/47/1071129647.db2.gz	POQJELPQRJSDGS-HSZRJFAPSA-N	0	1	508.619	6.293	50	30		KKEAMN
Cc1ccccc1NC(=O)c1cc2ccc(/C=N/c3ccc(Nc4c5ccccc5c([N+](=O)[O-])cc4[N+](=O)[O-])cc3)cc2cc1O	ZINC000108905012	1071130962	/nfs/dbraw/zinc/13/09/62/1071130962.db2.gz	IBRYSPBCPZUQKH-ZSNJKBEMSA-N	0	1	611.614	8.570	50	30		KKEAMN
CCCCCCCCOc1ccc([C@@H](CC(=O)OC)c2c(O)cc(C)n(CCc3cnc[nH]3)c2=O)cc1	ZINC000604404013	1071268593	/nfs/dbraw/zinc/26/85/93/1071268593.db2.gz	IAMJDHHUPNTAFI-RUZDIDTESA-N	0	1	509.647	5.262	50	30		KKEAMN
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)C[C@H]1C	ZINC000604405242	1071271717	/nfs/dbraw/zinc/27/17/17/1071271717.db2.gz	OJLKJYVLORBCQI-GOXOYUAHSA-N	0	1	523.973	5.004	50	30		KKEAMN
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)C[C@H]1C	ZINC000604405243	1071272581	/nfs/dbraw/zinc/27/25/81/1071272581.db2.gz	OJLKJYVLORBCQI-HEVVRDHBSA-N	0	1	523.973	5.004	50	30		KKEAMN
CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(OC)c(O)c5)oc-4c32)cc1	ZINC000217699962	1071291977	/nfs/dbraw/zinc/29/19/77/1071291977.db2.gz	UDGUYCSKTMTGQH-HSZRJFAPSA-N	0	1	558.627	7.060	50	30	biogenic	KKEAMN
CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(OC)c(O)c5)oc-4c32)cc1	ZINC000217699892	1071292013	/nfs/dbraw/zinc/29/20/13/1071292013.db2.gz	UDGUYCSKTMTGQH-QHCPKHFHSA-N	0	1	558.627	7.060	50	30	biogenic	KKEAMN
COc1cc(C=Nc2ccc(-c3nc4ccc(N=Cc5cc(OC)c(OC)c(OC)c5)cc4[nH]3)cc2)cc(OC)c1OC	ZINC000886016240	1071315884	/nfs/dbraw/zinc/31/58/84/1071315884.db2.gz	BMFWWDCLIUAPKN-UHFFFAOYSA-N	0	1	580.641	6.783	50	30		KKEAMN
O=[N+]([O-])c1ccccc1CC=CN=Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]	ZINC000245265036	1072830705	/nfs/dbraw/zinc/83/07/05/1072830705.db2.gz	FUXBCYQCVKTGCT-TWWMWVSZSA-N	0	1	501.908	5.068	50	30		KKEAMN
CCCCCCCCCCC1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)NC1=O	ZINC000245284012	1072831239	/nfs/dbraw/zinc/83/12/39/1072831239.db2.gz	PRZAVOWQMAAVJS-HSZRJFAPSA-N	0	1	673.493	7.432	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000097967119	1072836498	/nfs/dbraw/zinc/83/64/98/1072836498.db2.gz	XUQFBNBMKPHSRS-JGCGQSQUSA-N	0	1	642.675	9.526	50	30		KKEAMN
O=[N+]([O-])c1cccc(C=NNc2ncnc3sc(Sc4ccccc4[N+](=O)[O-])c(-c4ccccc4)c32)c1	ZINC000254482464	1072857322	/nfs/dbraw/zinc/85/73/22/1072857322.db2.gz	PRVZNEJFRXLIBB-UHFFFAOYSA-N	0	1	528.575	6.772	50	30		KKEAMN
CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000254843035	1072884221	/nfs/dbraw/zinc/88/42/21/1072884221.db2.gz	UPPIRXWGLQCVOI-UHFFFAOYSA-N	0	1	514.529	6.177	50	30		KKEAMN
CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000254843035	1072884224	/nfs/dbraw/zinc/88/42/24/1072884224.db2.gz	UPPIRXWGLQCVOI-UHFFFAOYSA-N	0	1	514.529	6.177	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000000631224	551505024	/nfs/dbraw/zinc/50/50/24/551505024.db2.gz	JOANBNJPZGGBRV-LJQANCHMSA-N	0	1	541.423	5.482	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2)cc1	ZINC000000672323	551519427	/nfs/dbraw/zinc/51/94/27/551519427.db2.gz	SYUCUYJSRZXWJT-XDCSYDRFSA-N	0	1	560.650	6.927	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2)cc1	ZINC000000672317	551519465	/nfs/dbraw/zinc/51/94/65/551519465.db2.gz	SYUCUYJSRZXWJT-WNSROMTISA-N	0	1	560.650	6.927	50	30		KKEAMN
O=C(c1ccccc1)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000000674118	551520900	/nfs/dbraw/zinc/52/09/00/551520900.db2.gz	KINWNGNCMCOSKE-PBBNMVCDSA-N	0	1	505.530	6.402	50	30		KKEAMN
CCN(CC)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccco3)C2)cc1	ZINC000000681772	551524662	/nfs/dbraw/zinc/52/46/62/551524662.db2.gz	XBERHAOLEBHNRL-PPHZAIPVSA-N	0	1	523.555	6.589	50	30		KKEAMN
O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccc(Cl)cc1)C(F)(F)F	ZINC000000681834	551524754	/nfs/dbraw/zinc/52/47/54/551524754.db2.gz	BRHZQUUPHVDNJY-NSYGIPOTSA-N	0	1	541.913	6.711	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(C[C@H]4CCCO4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000000703058	551530235	/nfs/dbraw/zinc/53/02/35/551530235.db2.gz	NKVCWTQAJXLLBS-LCHPKMOASA-N	0	1	525.601	5.346	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1	ZINC000000703153	551530682	/nfs/dbraw/zinc/53/06/82/551530682.db2.gz	PKKBJFNAWUWTRH-AREMUKBSSA-N	0	1	553.596	5.963	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1	ZINC000000703181	551531019	/nfs/dbraw/zinc/53/10/19/551531019.db2.gz	WZWJLLHWJLTTRG-SSEXGKCCSA-N	0	1	564.594	5.219	50	30		KKEAMN
CC(=O)C1C(Nc2ccc(Br)cc2)=C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccc(Br)cc1	ZINC000000709658	551532875	/nfs/dbraw/zinc/53/28/75/551532875.db2.gz	QCNSPDJXBZFUHE-VJBWXMMDSA-N	0	1	521.249	5.610	50	30		KKEAMN
O=C(CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2s1)N1CCOCC1	ZINC000000713097	551533588	/nfs/dbraw/zinc/53/35/88/551533588.db2.gz	KCIUNFGJJYPVGL-AUEPDCJTSA-N	0	1	571.316	5.228	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000000718122	551534989	/nfs/dbraw/zinc/53/49/89/551534989.db2.gz	SXGANHMVGCHPAB-QABMSTFYSA-N	0	1	506.602	6.092	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2cccs2)cc1OC	ZINC000000719045	551535701	/nfs/dbraw/zinc/53/57/01/551535701.db2.gz	PGJNQOIPYBMJNZ-HMILPKGGSA-N	0	1	500.620	6.076	50	30		KKEAMN
COc1cc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc(OC)c1OC	ZINC000000985920	551592527	/nfs/dbraw/zinc/59/25/27/551592527.db2.gz	UCEDUESVBAWLLV-WHLCRQNOSA-N	0	1	566.576	6.484	50	30		KKEAMN
COc1cc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC	ZINC000000985926	551592843	/nfs/dbraw/zinc/59/28/43/551592843.db2.gz	VFKHKRRDTMZELY-GZGVDWRWSA-N	0	1	574.677	7.235	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC	ZINC000001070898	551602927	/nfs/dbraw/zinc/60/29/27/551602927.db2.gz	OMDDYQPXXBPWPU-WENCNXQZSA-N	0	1	599.640	5.635	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1	ZINC000001103843	551609440	/nfs/dbraw/zinc/60/94/40/551609440.db2.gz	HTVXAUMAKQLUOP-MUUNZHRXSA-N	0	1	540.572	5.752	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccccc3Cl)C2)cc1	ZINC000001246292	551631639	/nfs/dbraw/zinc/63/16/39/551631639.db2.gz	RODHTOQVGHOHOG-MRDQGFSESA-N	0	1	526.942	6.812	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccccc3Cl)C2)cc1	ZINC000001246291	551631724	/nfs/dbraw/zinc/63/17/24/551631724.db2.gz	RODHTOQVGHOHOG-WGDIFIGCSA-N	0	1	526.942	6.812	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000001261521	551633663	/nfs/dbraw/zinc/63/36/63/551633663.db2.gz	JKUBBKLSTHOFOP-JHOBJCJYSA-N	0	1	534.637	6.749	50	30		KKEAMN
O=C(c1cccs1)N1CCN(c2ccc(/N=C/c3cc(Cl)cc(Br)c3O)cc2)CC1	ZINC000001312039	551639981	/nfs/dbraw/zinc/63/99/81/551639981.db2.gz	GJCCBGYMCKRFKQ-AFUMVMLFSA-N	0	1	504.837	5.583	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000001411049	551664709	/nfs/dbraw/zinc/66/47/09/551664709.db2.gz	LPLRLNHWGRKYTG-MHZLTWQESA-N	0	1	524.573	5.174	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000001411044	551664740	/nfs/dbraw/zinc/66/47/40/551664740.db2.gz	DUEUSMJXDJPBIS-MUUNZHRXSA-N	0	1	526.589	5.405	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)C(F)(F)F)[C@H]3c2cccs2)cc1	ZINC000001412999	551665121	/nfs/dbraw/zinc/66/51/21/551665121.db2.gz	PURXEQFBZQESMW-NSYGIPOTSA-N	0	1	512.553	6.528	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@H]3c2cccs2)cc1OC	ZINC000001413007	551665218	/nfs/dbraw/zinc/66/52/18/551665218.db2.gz	VWOKZVKSFMFPDN-XBBWARJSSA-N	0	1	542.682	7.041	50	30		KKEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c1	ZINC000001413426	551665477	/nfs/dbraw/zinc/66/54/77/551665477.db2.gz	SXUVCPRNSWVEMA-SANMLTNESA-N	0	1	561.432	5.769	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(Br)cc2)cc1	ZINC000001413502	551665878	/nfs/dbraw/zinc/66/58/78/551665878.db2.gz	HXXXULYAFISUCJ-VWLOTQADSA-N	0	1	531.406	5.760	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000001413508	551665988	/nfs/dbraw/zinc/66/59/88/551665988.db2.gz	IQAICBGMIWHYDH-NDEPHWFRSA-N	0	1	508.618	6.295	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O	ZINC000001414780	551666543	/nfs/dbraw/zinc/66/65/43/551666543.db2.gz	KZXZATGFVDHINC-AREMUKBSSA-N	0	1	516.981	5.747	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000001446815	551674227	/nfs/dbraw/zinc/67/42/27/551674227.db2.gz	OAKSJWYHEBMJLY-OAQYLSRUSA-N	0	1	524.526	5.146	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000001451435	551676003	/nfs/dbraw/zinc/67/60/03/551676003.db2.gz	JRUDHPHKGXFBGV-OAQYLSRUSA-N	0	1	523.408	6.306	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Br)c2)nc1C	ZINC000001458637	551677326	/nfs/dbraw/zinc/67/73/26/551677326.db2.gz	JXDWEGODUOLYIB-SFHVURJKSA-N	0	1	527.396	5.174	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000001458963	551677623	/nfs/dbraw/zinc/67/76/23/551677623.db2.gz	QEMRRNBETSHQPM-QCBOHVIISA-N	0	1	560.650	6.927	50	30		KKEAMN
COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)NC[C@H]2CCCO2)cc1OC	ZINC000001459840	551678040	/nfs/dbraw/zinc/67/80/40/551678040.db2.gz	BUUKWZDNHRKJFA-WINIVTDRSA-N	0	1	521.683	5.374	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000001477078	551681292	/nfs/dbraw/zinc/68/12/92/551681292.db2.gz	QOCCXORTOXDSBK-GDLZYMKVSA-N	0	1	542.632	5.097	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000001480821	551681889	/nfs/dbraw/zinc/68/18/89/551681889.db2.gz	ASWQAJODNHYRLG-HSZRJFAPSA-N	0	1	550.589	5.405	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000001481488	551682632	/nfs/dbraw/zinc/68/26/32/551682632.db2.gz	OJQZXMUBCWLYEN-JOCHJYFZSA-N	0	1	554.983	5.898	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC	ZINC000001481484	551682681	/nfs/dbraw/zinc/68/26/81/551682681.db2.gz	VLOFNAVWLWNJML-OAQYLSRUSA-N	0	1	524.957	5.889	50	30		KKEAMN
CCOc1cc(Br)c(Br)c(/C=N/c2cc(C(C)(C)C)cc(Cl)c2O)c1O	ZINC000001879412	551723840	/nfs/dbraw/zinc/72/38/40/551723840.db2.gz	YGBLCQDHHQLPJG-NUGSKGIGSA-N	0	1	505.634	6.723	50	30		KKEAMN
Oc1c(Cl)cc(Br)cc1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1	ZINC000001882773	551724607	/nfs/dbraw/zinc/72/46/07/551724607.db2.gz	IMYFUFXNQNFASS-YSURURNPSA-N	0	1	506.581	7.129	50	30		KKEAMN
Cc1cc2nc(-c3ccc(C)c(/N=C/c4cc(Br)cc(Br)c4O)c3)oc2c(C)c1	ZINC000001884428	551725018	/nfs/dbraw/zinc/72/50/18/551725018.db2.gz	VMLBVIAVASAKQT-KBKYJPHKSA-N	0	1	514.217	7.401	50	30		KKEAMN
CCN(CC)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)NC2CCCCC2)cc1	ZINC000002768683	552183752	/nfs/dbraw/zinc/18/37/52/552183752.db2.gz	QHDYMVGNDXCRBU-SSEXGKCCSA-N	0	1	530.782	7.356	50	30		KKEAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(Cc2ccccc2Cl)C2=C1C(=O)CC(C)(C)C2	ZINC000002863468	552204611	/nfs/dbraw/zinc/20/46/11/552204611.db2.gz	UNUDBVACSUZELC-HHHXNRCGSA-N	0	1	543.973	5.613	50	30		KKEAMN
Oc1c(I)cc(Br)cc1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1	ZINC000003049938	552277080	/nfs/dbraw/zinc/27/70/80/552277080.db2.gz	XKIGBKSNKIAXLP-YSURURNPSA-N	0	1	598.032	7.081	50	30		KKEAMN
C(=Nc1ccc(-c2nc3ccc(-c4nc5cc(N=Cc6ccccn6)ccc5[nH]4)cc3[nH]2)cc1)c1ccccn1	ZINC000003143501	552296199	/nfs/dbraw/zinc/29/61/99/552296199.db2.gz	BBIXPTKZJPMOPB-CQFWSYKGSA-N	0	1	518.584	7.064	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000003892825	552421839	/nfs/dbraw/zinc/42/18/39/552421839.db2.gz	INBXFALHNOAFLD-PMERELPUSA-N	0	1	534.612	6.750	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1	ZINC000004017849	552428892	/nfs/dbraw/zinc/42/88/92/552428892.db2.gz	BCKPSSGFCJQRIW-DHRITJCHSA-N	0	1	555.234	6.035	50	30		KKEAMN
O=C(Nc1cccc2ccccc21)c1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1	ZINC000004455009	552461318	/nfs/dbraw/zinc/46/13/18/552461318.db2.gz	ILXDAKLZQDOJRC-MZJWZYIUSA-N	0	1	524.212	7.073	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1	ZINC000004635178	552469496	/nfs/dbraw/zinc/46/94/96/552469496.db2.gz	SKUVHIXPIKSNIU-DEOSSOPVSA-N	0	1	535.825	6.405	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)c(C)c1	ZINC000005355082	552498332	/nfs/dbraw/zinc/49/83/32/552498332.db2.gz	PVVZHKIPSOIXEQ-QFIPXVFZSA-N	0	1	538.597	5.647	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2F)cc1C	ZINC000005355383	552498646	/nfs/dbraw/zinc/49/86/46/552498646.db2.gz	HNOMQTASAGKFLZ-JOCHJYFZSA-N	0	1	538.597	5.647	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000005355479	552498677	/nfs/dbraw/zinc/49/86/77/552498677.db2.gz	YWLRICMRSYUURU-XMMPIXPASA-N	0	1	619.493	6.966	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)c(C)c1	ZINC000005357387	552499743	/nfs/dbraw/zinc/49/97/43/552499743.db2.gz	LMMOMRWOZMBOFO-OAQYLSRUSA-N	0	1	539.009	5.548	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000005918854	552512070	/nfs/dbraw/zinc/51/20/70/552512070.db2.gz	SGHUHRHOFHUTDE-VKGTZQKMSA-N	0	1	528.605	5.371	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Cl)c2)cc1C	ZINC000005919785	552512717	/nfs/dbraw/zinc/51/27/17/552512717.db2.gz	VKIRJVMINXGIJB-QFIPXVFZSA-N	0	1	553.036	5.938	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2ccncc2)cc1	ZINC000005944502	552514602	/nfs/dbraw/zinc/51/46/02/552514602.db2.gz	NADIXNQVDDVWMY-UBOZLPQGSA-N	0	1	527.668	7.594	50	30		KKEAMN
COc1ccc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccc(C(C)(C)C)cc4)CC(=O)C3[C@@H]2c2ccccc2Cl)cc1	ZINC000005944487	552514731	/nfs/dbraw/zinc/51/47/31/552514731.db2.gz	HHHBYMJZJYDXGC-FEERPNRMSA-N	0	1	591.151	8.861	50	30		KKEAMN
O=S(=O)(N=C(Nc1cc(Br)c(O)c(Br)c1)c1ccccc1)c1ccccc1	ZINC000006143298	552545177	/nfs/dbraw/zinc/54/51/77/552545177.db2.gz	DDNNQXRUUKFXAV-UHFFFAOYSA-N	0	1	510.207	5.165	50	30		KKEAMN
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1	ZINC000006146742	552548618	/nfs/dbraw/zinc/54/86/18/552548618.db2.gz	DJEIKHOHPMSNST-UHFFFAOYSA-N	0	1	559.738	7.649	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1	ZINC000006304402	552580674	/nfs/dbraw/zinc/58/06/74/552580674.db2.gz	LWOGOHBSVIGFHK-JIYROHSKSA-N	0	1	594.689	6.766	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1	ZINC000006458591	552590104	/nfs/dbraw/zinc/59/01/04/552590104.db2.gz	KAZBTSVKDNAJST-QHCPKHFHSA-N	0	1	533.631	5.669	50	30		KKEAMN
CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(C)=O	ZINC000008214639	552984519	/nfs/dbraw/zinc/98/45/19/552984519.db2.gz	ZXCIEWBDUAPBJF-MUUNZHRXSA-O	0	1	552.754	7.036	50	30	in-vitro	KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1cccs1	ZINC000008383327	552986185	/nfs/dbraw/zinc/98/61/85/552986185.db2.gz	BCGJUAFOCYALDP-NRFANRHFSA-N	0	1	549.630	6.560	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000008383364	552986442	/nfs/dbraw/zinc/98/64/42/552986442.db2.gz	QTLGTGSBKANYPH-XMMPIXPASA-N	0	1	573.627	6.507	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H]1c1cccc(Br)c1	ZINC000008383404	552986576	/nfs/dbraw/zinc/98/65/76/552986576.db2.gz	AHXODZTYNANUHV-QHCPKHFHSA-N	0	1	638.952	7.775	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000008383479	552986752	/nfs/dbraw/zinc/98/67/52/552986752.db2.gz	XFDYLVMHYNYJAK-NDEPHWFRSA-N	0	1	629.735	8.068	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H]1c1cccc(O)c1	ZINC000008383443	552986865	/nfs/dbraw/zinc/98/68/65/552986865.db2.gz	DWBQFQPRLAIGQQ-QHCPKHFHSA-N	0	1	576.055	6.719	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1	ZINC000008383544	552987135	/nfs/dbraw/zinc/98/71/35/552987135.db2.gz	UEEMPANMROSHCK-MHZLTWQESA-N	0	1	514.578	5.200	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC	ZINC000008383973	552988295	/nfs/dbraw/zinc/98/82/95/552988295.db2.gz	UHVIPJQSBSXYHU-MHZLTWQESA-N	0	1	613.717	7.075	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3cccs3)s2)cc1	ZINC000008383964	552988301	/nfs/dbraw/zinc/98/83/01/552988301.db2.gz	OEDOEQHUEWENLO-JOCHJYFZSA-N	0	1	545.667	6.729	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000008433091	553028049	/nfs/dbraw/zinc/02/80/49/553028049.db2.gz	GYJZENLFTVUQFY-QTEAWJPNSA-N	0	1	590.532	8.670	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1	ZINC000008440106	553036481	/nfs/dbraw/zinc/03/64/81/553036481.db2.gz	SROMXQBADSHLKA-JGCGQSQUSA-N	0	1	563.650	6.494	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1	ZINC000008440851	553038728	/nfs/dbraw/zinc/03/87/28/553038728.db2.gz	GZTLKCPGQIJVJN-AOYPEHQESA-N	0	1	548.433	5.785	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000008441062	553039238	/nfs/dbraw/zinc/03/92/38/553039238.db2.gz	LIFNMQVLRQUYRR-JOCHJYFZSA-N	0	1	553.865	7.058	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1O	ZINC000008441145	553039583	/nfs/dbraw/zinc/03/95/83/553039583.db2.gz	ARNGKNAOMGZCSL-JOCHJYFZSA-N	0	1	518.547	5.288	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc(Br)c1O	ZINC000008441183	553039783	/nfs/dbraw/zinc/03/97/83/553039783.db2.gz	LYRPCYMJDPFTPS-FQEVSTJZSA-N	0	1	583.416	5.660	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC	ZINC000008441222	553039936	/nfs/dbraw/zinc/03/99/36/553039936.db2.gz	XMHVTWLLKTVENA-LJAQVGFWSA-N	0	1	641.771	7.937	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C	ZINC000008441255	553040174	/nfs/dbraw/zinc/04/01/74/553040174.db2.gz	KFOPANRTFOYARI-LJAQVGFWSA-N	0	1	641.771	7.793	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C	ZINC000008441253	553040187	/nfs/dbraw/zinc/04/01/87/553040187.db2.gz	KFOPANRTFOYARI-GDLZYMKVSA-N	0	1	641.771	7.793	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1	ZINC000008441516	553041144	/nfs/dbraw/zinc/04/11/44/553041144.db2.gz	JWAWBNWTSUPJDF-SZJUTTIESA-N	0	1	505.611	5.336	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1	ZINC000008441756	553042180	/nfs/dbraw/zinc/04/21/80/553042180.db2.gz	DFPLGEHZUMTFMI-PMERELPUSA-N	0	1	588.641	8.016	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000008441738	553042190	/nfs/dbraw/zinc/04/21/90/553042190.db2.gz	TWXFSCSZNSIEOF-DEOSSOPVSA-N	0	1	530.989	6.878	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1ccccc1F	ZINC000008441801	553042485	/nfs/dbraw/zinc/04/24/85/553042485.db2.gz	MZYFPCDFQCTVLS-MHZLTWQESA-N	0	1	593.661	7.652	50	30		KKEAMN
CCCOc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1	ZINC000008444110	553049279	/nfs/dbraw/zinc/04/92/79/553049279.db2.gz	MUBHCCUBTAOKDO-IJAHGLKVSA-N	0	1	558.678	7.698	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2ccc(F)cc2)cc1	ZINC000008444543	553050755	/nfs/dbraw/zinc/05/07/55/553050755.db2.gz	LHVCUCBFYKJEEH-FWUCURJTSA-N	0	1	508.637	7.434	50	30		KKEAMN
O=[N+]([O-])c1ccc(Nc2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2)c([N+](=O)[O-])c1	ZINC000008448381	553055969	/nfs/dbraw/zinc/05/59/69/553055969.db2.gz	CWRUGDIMVPQWCN-LSHDLFTRSA-N	0	1	536.136	6.228	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000008450777	553059004	/nfs/dbraw/zinc/05/90/04/553059004.db2.gz	CQARRPBVHYMDMO-CGKQSPDFSA-N	0	1	572.658	6.040	50	30		KKEAMN
O=C(c1ccccc1)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000008450852	553059427	/nfs/dbraw/zinc/05/94/27/553059427.db2.gz	TYEXOVCCGDDLER-IPBJYNAHSA-N	0	1	550.014	7.463	50	30		KKEAMN
COc1ccc(CCNc2ccc(C(F)(F)F)cc2/N=C/c2cc(Cl)cc(Cl)c2O)cc1OC	ZINC000008629036	553104722	/nfs/dbraw/zinc/10/47/22/553104722.db2.gz	WIVUPDHGDPFILC-IURWMYGYSA-N	0	1	513.343	7.140	50	30		KKEAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2ccc(C)cc2)C2=C1C(=O)CC(C)(C)C2	ZINC000008686233	553115162	/nfs/dbraw/zinc/11/51/62/553115162.db2.gz	SDOPGOMGIHUEME-MHZLTWQESA-N	0	1	509.528	5.273	50	30		KKEAMN
Clc1cccc(-c2ccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCCCC4)n3)o2)c1Cl	ZINC000008694744	553120408	/nfs/dbraw/zinc/12/04/08/553120408.db2.gz	VQEGMERSUJSYOA-LQKURTRISA-N	0	1	508.413	6.618	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000008695572	553122243	/nfs/dbraw/zinc/12/22/43/553122243.db2.gz	CQCWNWDQEVCYEO-UVDDSOTQSA-N	0	1	533.499	8.474	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C	ZINC000008817510	553152850	/nfs/dbraw/zinc/15/28/50/553152850.db2.gz	KHYUVAJXGNXLBB-HSZRJFAPSA-N	0	1	505.442	5.477	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C	ZINC000008817510	553152853	/nfs/dbraw/zinc/15/28/53/553152853.db2.gz	KHYUVAJXGNXLBB-HSZRJFAPSA-N	0	1	505.442	5.477	50	30		KKEAMN
CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1	ZINC000008834445	553161080	/nfs/dbraw/zinc/16/10/80/553161080.db2.gz	XWKRMHHCKCOCLK-JOCHJYFZSA-N	0	1	503.647	5.020	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1C	ZINC000008836072	553162903	/nfs/dbraw/zinc/16/29/03/553162903.db2.gz	PZTHWWNFOCMJKQ-AREMUKBSSA-N	0	1	527.061	5.128	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000008837192	553163828	/nfs/dbraw/zinc/16/38/28/553163828.db2.gz	VSHGQSWLQCEZQE-QHCPKHFHSA-N	0	1	520.538	5.244	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1cccs1	ZINC000008846354	553166063	/nfs/dbraw/zinc/16/60/63/553166063.db2.gz	KOSGRGSZYAPMSN-HEIROHQZSA-N	0	1	526.746	8.527	50	30		KKEAMN
O=C(C1CC1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1Cl	ZINC000008846339	553166072	/nfs/dbraw/zinc/16/60/72/553166072.db2.gz	UOUMMBULCORECE-VKGTZQKMSA-N	0	1	503.429	7.304	50	30		KKEAMN
O=C(C1CC1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1Cl	ZINC000008846338	553166124	/nfs/dbraw/zinc/16/61/24/553166124.db2.gz	UOUMMBULCORECE-GDJIYFAZSA-N	0	1	503.429	7.304	50	30		KKEAMN
O=C(C1CC1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(Cl)cc1Cl	ZINC000008846341	553166154	/nfs/dbraw/zinc/16/61/54/553166154.db2.gz	UOUMMBULCORECE-HMILPKGGSA-N	0	1	503.429	7.304	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2F)cc1	ZINC000008857933	553168538	/nfs/dbraw/zinc/16/85/38/553168538.db2.gz	VHCAGTHZXWJGRN-OAQYLSRUSA-N	0	1	524.570	5.339	50	30		KKEAMN
Cc1ccc(Nc2nc(N=NCc3cc(Cl)cc(Cl)c3O)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C	ZINC000008872107	553172220	/nfs/dbraw/zinc/17/22/20/553172220.db2.gz	POXXYQRBGFYSLD-KKMKTNMSSA-N	0	1	539.383	6.342	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000008913846	553185532	/nfs/dbraw/zinc/18/55/32/553185532.db2.gz	DXBSAVMCHPDYLQ-WENCNXQZSA-N	0	1	517.025	6.668	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000008934736	553193251	/nfs/dbraw/zinc/19/32/51/553193251.db2.gz	PIYQCIXIKZNBKO-HSZRJFAPSA-N	0	1	516.550	5.567	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000008973298	553195219	/nfs/dbraw/zinc/19/52/19/553195219.db2.gz	VHJBLIGRVCVMDD-NRFANRHFSA-N	0	1	511.386	6.395	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(OC)cc3)sc2c1	ZINC000008987819	553196846	/nfs/dbraw/zinc/19/68/46/553196846.db2.gz	WDJMNOGHYNVHMK-HSZRJFAPSA-N	0	1	504.539	5.626	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(OC)c3OC)sc2c1	ZINC000009008174	553198480	/nfs/dbraw/zinc/19/84/80/553198480.db2.gz	OSSVOAFQNRIODD-NRFANRHFSA-N	0	1	506.536	5.088	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000009008225	553198507	/nfs/dbraw/zinc/19/85/07/553198507.db2.gz	XPBDRBOWZMLTSU-HSZRJFAPSA-N	0	1	520.994	6.140	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000009008688	553199036	/nfs/dbraw/zinc/19/90/36/553199036.db2.gz	BLLCAAKLPJPAKS-JOCHJYFZSA-N	0	1	508.958	6.270	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1ccccc1Cl	ZINC000009011987	553199910	/nfs/dbraw/zinc/19/99/10/553199910.db2.gz	JRDSMGABDMROBV-JIYROHSKSA-N	0	1	513.081	8.129	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000009041153	553202315	/nfs/dbraw/zinc/20/23/15/553202315.db2.gz	FFRHBRRPVXZQNG-NRFANRHFSA-N	0	1	524.570	5.339	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(Br)cc1	ZINC000009044178	553203056	/nfs/dbraw/zinc/20/30/56/553203056.db2.gz	UGTLIYMAZLBZKY-QHCPKHFHSA-N	0	1	516.432	5.407	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000009044786	553203226	/nfs/dbraw/zinc/20/32/26/553203226.db2.gz	RDFNQNNLVJAUOT-MUUNZHRXSA-N	0	1	506.558	5.969	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000009071470	553207063	/nfs/dbraw/zinc/20/70/63/553207063.db2.gz	YXHZREKTGZUQFT-HSZRJFAPSA-N	0	1	520.538	5.244	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1	ZINC000009086248	553208353	/nfs/dbraw/zinc/20/83/53/553208353.db2.gz	JCQPFSYLDNEHMP-JOCHJYFZSA-N	0	1	517.887	6.159	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(F)cc1	ZINC000009109147	553209910	/nfs/dbraw/zinc/20/99/10/553209910.db2.gz	PAVOYJYOSFLOFV-XDCSYDRFSA-N	0	1	538.707	8.604	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1OC	ZINC000009185699	553217431	/nfs/dbraw/zinc/21/74/31/553217431.db2.gz	AKWOXFZBZVQYNZ-LMKMVOKYSA-N	0	1	512.484	5.760	50	30		KKEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C	ZINC000009191997	553218795	/nfs/dbraw/zinc/21/87/95/553218795.db2.gz	IKTKEVOMCFGPPK-RUZDIDTESA-N	0	1	515.610	5.279	50	30		KKEAMN
Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009264221	553228640	/nfs/dbraw/zinc/22/86/40/553228640.db2.gz	DTELUVMJNCSDBY-RCRUUEGKSA-N	0	1	509.005	7.456	50	30		KKEAMN
O=C(NC1CCCCC1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000009264239	553228786	/nfs/dbraw/zinc/22/87/86/553228786.db2.gz	YZIKHBBHZKJNKV-ACSYHNTCSA-N	0	1	516.041	7.349	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)ccc1O	ZINC000009272379	553231764	/nfs/dbraw/zinc/23/17/64/553231764.db2.gz	KFTIUQQUROWIGW-NRFANRHFSA-N	0	1	503.860	5.856	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(F)cc2)nc1C	ZINC000009272823	553231999	/nfs/dbraw/zinc/23/19/99/553231999.db2.gz	ADXOVBWZKFDOBV-OAQYLSRUSA-N	0	1	522.554	5.033	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000009272896	553232096	/nfs/dbraw/zinc/23/20/96/553232096.db2.gz	XDASVYPVOPYBOQ-FQEVSTJZSA-N	0	1	502.832	6.050	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCOC)ccc1OCCC(C)C	ZINC000009308646	553237528	/nfs/dbraw/zinc/23/75/28/553237528.db2.gz	NUYXWPSJTRIQOY-UZTOHYMASA-N	0	1	523.626	5.058	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(Br)c3)ccc2O1	ZINC000009312628	553240532	/nfs/dbraw/zinc/24/05/32/553240532.db2.gz	PEPDSEOWSIUHSJ-VOIUYBSRSA-N	0	1	504.380	5.551	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1	ZINC000009353257	553245300	/nfs/dbraw/zinc/24/53/00/553245300.db2.gz	VPQGCEFPWPXNKK-JOCHJYFZSA-N	0	1	503.511	5.743	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000009354047	553245794	/nfs/dbraw/zinc/24/57/94/553245794.db2.gz	XDRPSZWCHRHSQV-CHJDUVSTSA-N	0	1	525.645	6.400	50	30		KKEAMN
Brc1cc(Br)c(OCc2ccccc2)c(C=NNc2nc3ccccc3[nH]2)c1	ZINC000009355886	553246589	/nfs/dbraw/zinc/24/65/89/553246589.db2.gz	AWKJKOKYPYTNAT-WYMPLXKRSA-N	0	1	500.194	6.113	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000009357974	553247202	/nfs/dbraw/zinc/24/72/02/553247202.db2.gz	SQCDCXLICBCWAH-SMSORMJASA-N	0	1	525.645	6.400	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000009357986	553247282	/nfs/dbraw/zinc/24/72/82/553247282.db2.gz	SQCDCXLICBCWAH-RCRUUEGKSA-N	0	1	525.645	6.400	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000009358572	553247740	/nfs/dbraw/zinc/24/77/40/553247740.db2.gz	VGWKVNJWQJFEQW-AREMUKBSSA-N	0	1	520.582	5.598	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)ccc1OCc1ccccc1	ZINC000009359126	553247922	/nfs/dbraw/zinc/24/79/22/553247922.db2.gz	UCJTXAWRJQWBFQ-MUUNZHRXSA-N	0	1	508.549	5.887	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000009358980	553247962	/nfs/dbraw/zinc/24/79/62/553247962.db2.gz	PCZGTWUTYXNQRJ-HRFSGMKKSA-N	0	1	515.610	5.054	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC	ZINC000009370639	553250056	/nfs/dbraw/zinc/25/00/56/553250056.db2.gz	IDNGBBXAUNSJIS-QFIPXVFZSA-N	0	1	517.887	6.159	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC	ZINC000009370638	553250114	/nfs/dbraw/zinc/25/01/14/553250114.db2.gz	IDNGBBXAUNSJIS-JOCHJYFZSA-N	0	1	517.887	6.159	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000009370855	553250125	/nfs/dbraw/zinc/25/01/25/553250125.db2.gz	HLJFWCUZZDAZEI-SANMLTNESA-N	0	1	502.567	5.060	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OCc2ccccc2)cc1	ZINC000009371027	553250292	/nfs/dbraw/zinc/25/02/92/553250292.db2.gz	RANZMAZVGHIMHG-MGBGTMOVSA-N	0	1	522.689	7.989	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000009375169	553251178	/nfs/dbraw/zinc/25/11/78/553251178.db2.gz	XDRPSZWCHRHSQV-YKGWIAGDSA-N	0	1	525.645	6.400	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(OC)c(OC)c1	ZINC000009379651	553251278	/nfs/dbraw/zinc/25/12/78/553251278.db2.gz	LINRIBTYCIXLBC-MUUNZHRXSA-N	0	1	531.605	5.206	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000009424109	553258490	/nfs/dbraw/zinc/25/84/90/553258490.db2.gz	WYPQMFIZGKUXSP-ACSYHNTCSA-N	0	1	527.617	5.628	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000009424252	553258526	/nfs/dbraw/zinc/25/85/26/553258526.db2.gz	YGIRHSJUUYIYMF-UZTOHYMASA-N	0	1	501.579	5.806	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2ccco2)ccc1O	ZINC000009424524	553258717	/nfs/dbraw/zinc/25/87/17/553258717.db2.gz	GHOYJSWFXONKHZ-MUUNZHRXSA-N	0	1	525.557	5.660	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccccc2F)s1	ZINC000009427382	553259868	/nfs/dbraw/zinc/25/98/68/553259868.db2.gz	RRTKXFUWDHQQHU-DEOSSOPVSA-N	0	1	515.566	5.656	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccncc1	ZINC000009451902	553265966	/nfs/dbraw/zinc/26/59/66/553265966.db2.gz	SQSIWWYVUHKRLQ-INJOXJOKSA-N	0	1	521.705	7.860	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000009454277	553266366	/nfs/dbraw/zinc/26/63/66/553266366.db2.gz	IPKJEWQIWHBGJY-ACSYHNTCSA-N	0	1	521.569	5.961	50	30		KKEAMN
O=C(N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccccc1Cl)C(F)(F)F	ZINC000009459480	553266760	/nfs/dbraw/zinc/26/67/60/553266760.db2.gz	CEDWHZRMMVNNTQ-PUAOIOHZSA-N	0	1	514.906	6.942	50	30		KKEAMN
CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000009460752	553266930	/nfs/dbraw/zinc/26/69/30/553266930.db2.gz	TUEBYJCUQLHTNU-JOCHJYFZSA-N	0	1	510.771	6.088	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(Br)c3)ccc2O1	ZINC000009471305	553270036	/nfs/dbraw/zinc/27/00/36/553270036.db2.gz	FCNPNBAMKVZKPD-GKVSMKOHSA-N	0	1	518.407	5.594	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCOC)cc1	ZINC000009477399	553272424	/nfs/dbraw/zinc/27/24/24/553272424.db2.gz	KJCANPCOJHJEFP-LJAQVGFWSA-N	0	1	529.633	5.978	50	30		KKEAMN
COCCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	ZINC000009556438	553278909	/nfs/dbraw/zinc/27/89/09/553278909.db2.gz	HRSWGAJRGQKXDA-HHHXNRCGSA-N	0	1	513.546	5.245	50	30		KKEAMN
COc1cccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)c1	ZINC000009720409	553300692	/nfs/dbraw/zinc/30/06/92/553300692.db2.gz	XBGAEYDVQOIAHE-GOXGLGGOSA-N	0	1	500.598	6.910	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000009993702	553324112	/nfs/dbraw/zinc/32/41/12/553324112.db2.gz	PYSUQUNUHDEDOH-LJAQVGFWSA-N	0	1	520.585	6.360	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1C	ZINC000009994085	553324416	/nfs/dbraw/zinc/32/44/16/553324416.db2.gz	JWDOKLVGNAXZCM-XMMPIXPASA-N	0	1	519.395	5.496	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1	ZINC000009994298	553324680	/nfs/dbraw/zinc/32/46/80/553324680.db2.gz	KVIZZCAOKQSNHJ-MUUNZHRXSA-N	0	1	520.670	5.208	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000012411381	553363429	/nfs/dbraw/zinc/36/34/29/553363429.db2.gz	FANTWRKFOPMDJF-GYCJOSAFSA-N	0	1	526.611	5.321	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2c2ccc(C#N)c(Cl)c2)cc1	ZINC000013129388	553450619	/nfs/dbraw/zinc/45/06/19/553450619.db2.gz	AXJJRCXAHWKWRN-JOCHJYFZSA-N	0	1	507.329	5.435	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000013550642	553470198	/nfs/dbraw/zinc/47/01/98/553470198.db2.gz	IGQDBMVSZGYJAR-QFIPXVFZSA-N	0	1	509.414	6.948	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000013549849	553470240	/nfs/dbraw/zinc/47/02/40/553470240.db2.gz	QZIDPBQOHIFTGB-LJAQVGFWSA-N	0	1	527.661	6.486	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000013552687	553470870	/nfs/dbraw/zinc/47/08/70/553470870.db2.gz	DGWKTSPIAJMVLV-OAQYLSRUSA-N	0	1	504.589	5.490	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000013882121	553494188	/nfs/dbraw/zinc/49/41/88/553494188.db2.gz	YEFQGGDTEOUHGY-FWUCURJTSA-N	0	1	509.606	7.076	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000016729872	553575989	/nfs/dbraw/zinc/57/59/89/553575989.db2.gz	LYIQGLQVQNPWEY-OAQYLSRUSA-N	0	1	524.570	5.339	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F	ZINC000016731122	553577115	/nfs/dbraw/zinc/57/71/15/553577115.db2.gz	QAQSTTFSUHNLSL-NDEPHWFRSA-N	0	1	508.549	5.887	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1OC	ZINC000016732873	553577679	/nfs/dbraw/zinc/57/76/79/553577679.db2.gz	LSIKJSKWULXLQP-RBJSKKJNSA-N	0	1	537.653	5.810	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2C[C@H]2CCCO2)ccc1OCCC(C)C	ZINC000016734748	553578652	/nfs/dbraw/zinc/57/86/52/553578652.db2.gz	YJPKKOIEKGFSNF-DUAIZULJSA-N	0	1	535.637	5.201	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F	ZINC000016741271	553579724	/nfs/dbraw/zinc/57/97/24/553579724.db2.gz	MCHLAJUFQGKVPJ-DEOSSOPVSA-N	0	1	500.551	5.953	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2ccncc2)cc1	ZINC000016741949	553579998	/nfs/dbraw/zinc/57/99/98/553579998.db2.gz	YWDZHEVFTYAQEH-AREMUKBSSA-N	0	1	502.567	5.056	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cccc(Oc3ccccc3)c2)cc1Cl	ZINC000016805647	553582991	/nfs/dbraw/zinc/58/29/91/553582991.db2.gz	XXKKXORYFNFLRD-VWLOTQADSA-N	0	1	507.970	5.756	50	30		KKEAMN
COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2ccc(F)cc2)c1	ZINC000017160192	553589312	/nfs/dbraw/zinc/58/93/12/553589312.db2.gz	ONQFSNCEYQZHNT-NRUKRWIHSA-N	0	1	518.588	7.049	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccnc1	ZINC000018116281	553604721	/nfs/dbraw/zinc/60/47/21/553604721.db2.gz	WCQNWLUMYBCBJD-UDNBHOFDSA-N	0	1	525.649	6.580	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(C)C)[C@@H]3c2ccc(F)cc2)cc1OC	ZINC000018116334	553604775	/nfs/dbraw/zinc/60/47/75/553604775.db2.gz	VWPJLJBEVRWZLJ-IIMAJNMQSA-N	0	1	514.597	6.400	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2cccc(F)c2)cc1	ZINC000018137087	553605768	/nfs/dbraw/zinc/60/57/68/553605768.db2.gz	CKZBFZYZUNEYFC-WXTAPIANSA-N	0	1	510.487	6.297	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1cccc(OC)c1	ZINC000018142930	553606008	/nfs/dbraw/zinc/60/60/08/553606008.db2.gz	MLSJSZFTSVEINR-JPQMRUPTSA-N	0	1	512.625	7.315	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccc(Cl)cc2)cc1OC	ZINC000018172528	553607214	/nfs/dbraw/zinc/60/72/14/553607214.db2.gz	AVAHFWFFLUFJHE-AFJIDDCJSA-N	0	1	502.998	6.278	50	30		KKEAMN
C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1	ZINC000070687825	553607657	/nfs/dbraw/zinc/60/76/57/553607657.db2.gz	XYVTWDNTBKSHPD-GFCMWKPXSA-N	0	1	536.663	5.199	50	30	biogenic	KKEAMN
CCCCOc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)[C@H](CC)CCCC)c1	ZINC000018180747	553607699	/nfs/dbraw/zinc/60/76/99/553607699.db2.gz	KGYMHKNNSBSTMO-IPBJYNAHSA-N	0	1	516.726	8.225	50	30		KKEAMN
Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000020356991	553642192	/nfs/dbraw/zinc/64/21/92/553642192.db2.gz	ZFTKLQRTMYAROC-BKUYFWCQSA-N	0	1	514.676	6.195	50	30		KKEAMN
CCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000020102018	553687366	/nfs/dbraw/zinc/68/73/66/553687366.db2.gz	WUGMJCKVGRCALP-SANMLTNESA-N	0	1	519.649	5.492	50	30		KKEAMN
C=CCN1CC[C@@]23c4c5c(OC(=O)CCCCCCCCCCCCC)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5	ZINC000085893497	553690384	/nfs/dbraw/zinc/69/03/84/553690384.db2.gz	SOOCNOSNEVGYEV-OUDZLNJNSA-N	0	1	537.741	6.202	50	30	biogenic	KKEAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc2)n1	ZINC000095100611	553698972	/nfs/dbraw/zinc/69/89/72/553698972.db2.gz	HFSFJFHWRIGOBK-GDBMZVCRSA-N	0	1	756.391	6.705	50	30		KKEAMN
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3cccc(F)c3)nn1[C@H]2c1ccc(Cl)cc1Cl	ZINC000020850557	553699889	/nfs/dbraw/zinc/69/98/89/553699889.db2.gz	AAVONNBNYWUGAB-NRFANRHFSA-N	0	1	503.430	6.674	50	30		KKEAMN
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)nn1[C@H]2c1ccc(Cl)cc1Cl	ZINC000020850478	553699958	/nfs/dbraw/zinc/69/99/58/553699958.db2.gz	SJJFMQYYQDVZDU-NRFANRHFSA-N	0	1	503.430	6.674	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(O)cc3)cc2)c1	ZINC000095346106	553700669	/nfs/dbraw/zinc/70/06/69/553700669.db2.gz	BOSGKGFRNXTWMA-NDEPHWFRSA-N	0	1	523.589	5.145	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(O)cc3)cc2)c1	ZINC000095346105	553700692	/nfs/dbraw/zinc/70/06/92/553700692.db2.gz	BOSGKGFRNXTWMA-MUUNZHRXSA-N	0	1	523.589	5.145	50	30		KKEAMN
CCCC1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2cccc3ccccc32)C1=O	ZINC000095471659	553701422	/nfs/dbraw/zinc/70/14/22/553701422.db2.gz	WTMUXVDKPPSSBO-WUVQHWOTSA-N	0	1	510.457	6.245	50	30		KKEAMN
CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1	ZINC000096021448	553717116	/nfs/dbraw/zinc/71/71/16/553717116.db2.gz	DWAFVWXWNGJLQT-UHFFFAOYSA-N	0	1	557.742	6.938	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939648	553759968	/nfs/dbraw/zinc/75/99/68/553759968.db2.gz	XZRLNDZJAIVZRH-XRHLQHRESA-N	0	1	576.627	5.354	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939650	553759999	/nfs/dbraw/zinc/75/99/99/553759999.db2.gz	XZRLNDZJAIVZRH-DNOBIOAJSA-N	0	1	576.627	5.354	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939786	553761291	/nfs/dbraw/zinc/76/12/91/553761291.db2.gz	VQNCYNJIFGQWBE-GKVSMKOHSA-N	0	1	556.637	5.090	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939788	553761306	/nfs/dbraw/zinc/76/13/06/553761306.db2.gz	VQNCYNJIFGQWBE-NSYGIPOTSA-N	0	1	556.637	5.090	50	30		KKEAMN
CCc1ccc(/N=C2/c3ccccc3N(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1	ZINC000022942411	553768390	/nfs/dbraw/zinc/76/83/90/553768390.db2.gz	GWYGXYRGDMJFQI-JCUPVDEDSA-N	0	1	514.673	6.081	50	30		KKEAMN
O=C(c1cccs1)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccccc1Cl	ZINC000097945474	553772446	/nfs/dbraw/zinc/77/24/46/553772446.db2.gz	DXXCNCQXSWPXML-SONOPUAISA-N	0	1	529.036	7.755	50	30		KKEAMN
COc1cccc([C@@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)c1	ZINC000097945709	553774153	/nfs/dbraw/zinc/77/41/53/553774153.db2.gz	WQGIJKUYLBKJIX-GPNASLBKSA-N	0	1	535.043	7.563	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000024334106	553790568	/nfs/dbraw/zinc/79/05/68/553790568.db2.gz	RRJMXPFBWBFDDW-MHZLTWQESA-N	0	1	500.595	5.326	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl	ZINC000097948168	553791742	/nfs/dbraw/zinc/79/17/42/553791742.db2.gz	MSXXPQZWGAEBAC-WOPWWUTRSA-N	0	1	555.162	9.118	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H]3c2cccc(F)c2)cc1	ZINC000097948762	553796606	/nfs/dbraw/zinc/79/66/06/553796606.db2.gz	ZOVDFKQUBIDLDH-MNAQKMTRSA-N	0	1	602.493	8.747	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1	ZINC000097949033	553798725	/nfs/dbraw/zinc/79/87/25/553798725.db2.gz	KPNDUFPHUANICP-HTOJEEBVSA-N	0	1	633.188	8.937	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1	ZINC000097949133	553799800	/nfs/dbraw/zinc/79/98/00/553799800.db2.gz	OOUURFFQUIEZGB-KSXAPKRDSA-N	0	1	649.231	9.573	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C	ZINC000097951304	553808086	/nfs/dbraw/zinc/80/80/86/553808086.db2.gz	VDRIMISVEOKQGD-HHHXNRCGSA-N	0	1	546.620	5.373	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC	ZINC000097951521	553809701	/nfs/dbraw/zinc/80/97/01/553809701.db2.gz	OAMAZEKPOQBYRK-HHHXNRCGSA-N	0	1	546.620	5.229	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1C	ZINC000097951649	553810191	/nfs/dbraw/zinc/81/01/91/553810191.db2.gz	CYWSSBJERITKFI-VWLOTQADSA-N	0	1	535.438	6.110	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1	ZINC000097951672	553810532	/nfs/dbraw/zinc/81/05/32/553810532.db2.gz	JSRPCHIQBWURCP-MUUNZHRXSA-N	0	1	535.556	5.656	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccccc1	ZINC000097951651	553810641	/nfs/dbraw/zinc/81/06/41/553810641.db2.gz	OCNIZBRYRBPXJP-SSEXGKCCSA-N	0	1	503.727	8.746	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1	ZINC000097951736	553810926	/nfs/dbraw/zinc/81/09/26/553810926.db2.gz	JMDZDRHJKSSXHF-HKBQPEDESA-N	0	1	533.753	8.755	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000097952188	553813798	/nfs/dbraw/zinc/81/37/98/553813798.db2.gz	DOFOFPYYIFFLSK-NDEPHWFRSA-N	0	1	547.051	5.138	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000097952318	553814715	/nfs/dbraw/zinc/81/47/15/553814715.db2.gz	PDENFBWSBBKVTQ-QFIPXVFZSA-N	0	1	537.410	6.543	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(Cl)c(Cl)c3)cc2)c1	ZINC000097952305	553814770	/nfs/dbraw/zinc/81/47/70/553814770.db2.gz	FCNGBLQCLBBTDG-AREMUKBSSA-N	0	1	539.459	6.021	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(Cl)c(Cl)c3)cc2)c1	ZINC000097952305	553814775	/nfs/dbraw/zinc/81/47/75/553814775.db2.gz	FCNGBLQCLBBTDG-AREMUKBSSA-N	0	1	539.459	6.021	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccncc2)cc1	ZINC000097952296	553814787	/nfs/dbraw/zinc/81/47/87/553814787.db2.gz	XOMHHCNAOUPQFG-GDLZYMKVSA-N	0	1	548.595	5.534	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000097952360	553815411	/nfs/dbraw/zinc/81/54/11/553815411.db2.gz	ICDZZAFNTPWYSS-LJAQVGFWSA-N	0	1	536.584	5.462	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)s1	ZINC000097952448	553815993	/nfs/dbraw/zinc/81/59/93/553815993.db2.gz	LVLSOAWKMCFLMV-XMMPIXPASA-N	0	1	542.573	5.425	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000097952484	553816001	/nfs/dbraw/zinc/81/60/01/553816001.db2.gz	MSESIILBIKYWGF-QFIPXVFZSA-N	0	1	519.966	6.203	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1	ZINC000097952503	553816291	/nfs/dbraw/zinc/81/62/91/553816291.db2.gz	USEILUSSWJNWNG-LJAQVGFWSA-N	0	1	548.595	5.534	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(F)cc3)sc2c1	ZINC000097953031	553818850	/nfs/dbraw/zinc/81/88/50/553818850.db2.gz	UZUOAWMUNXDLLU-DEOSSOPVSA-N	0	1	532.549	5.388	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000097953127	553819513	/nfs/dbraw/zinc/81/95/13/553819513.db2.gz	BSXFLBHOORMXDZ-HHHXNRCGSA-N	0	1	533.577	5.407	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000097954063	553820859	/nfs/dbraw/zinc/82/08/59/553820859.db2.gz	ZCZRDCYTIIOVLA-DFXYEROKSA-N	0	1	541.644	6.222	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000097954167	553821880	/nfs/dbraw/zinc/82/18/80/553821880.db2.gz	CMQBZDACFWOFTQ-IIMAJNMQSA-N	0	1	541.644	6.366	50	30		KKEAMN
C=CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1	ZINC000027017968	553823459	/nfs/dbraw/zinc/82/34/59/553823459.db2.gz	KFAQTIQKUVYAOB-HHHXNRCGSA-N	0	1	500.599	5.321	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097954504	553823500	/nfs/dbraw/zinc/82/35/00/553823500.db2.gz	CCOYEDSVCDXTJJ-UGDMGKLASA-N	0	1	531.608	6.368	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097954736	553824962	/nfs/dbraw/zinc/82/49/62/553824962.db2.gz	RFSYKWUMXWSXAX-CHJDUVSTSA-N	0	1	549.627	5.454	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000097954744	553825379	/nfs/dbraw/zinc/82/53/79/553825379.db2.gz	NPCUNQIFFLPHCZ-JPZYQRIQSA-N	0	1	531.608	6.368	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)cc1C	ZINC000097954884	553826462	/nfs/dbraw/zinc/82/64/62/553826462.db2.gz	KRMLLZMMJPSHEG-JOCHJYFZSA-N	0	1	538.597	5.647	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000097955068	553828249	/nfs/dbraw/zinc/82/82/49/553828249.db2.gz	YSFDQBBREMBCPF-YEBMWUKDSA-N	0	1	623.481	5.888	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000097955069	553828427	/nfs/dbraw/zinc/82/84/27/553828427.db2.gz	YSFDQBBREMBCPF-RKNYENMMSA-N	0	1	623.481	5.888	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097955151	553829008	/nfs/dbraw/zinc/82/90/08/553829008.db2.gz	OQDXHXHTRSTLSH-IIMAJNMQSA-N	0	1	532.596	5.763	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000097955189	553829517	/nfs/dbraw/zinc/82/95/17/553829517.db2.gz	BLHXTJOJBYSLCF-SXBQZSJRSA-N	0	1	576.602	5.568	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000097955264	553830703	/nfs/dbraw/zinc/83/07/03/553830703.db2.gz	UPODBMJPAIOXNH-NPMABZOXSA-N	0	1	547.976	5.964	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000097955576	553831479	/nfs/dbraw/zinc/83/14/79/553831479.db2.gz	SBDGKARZIVDEJT-YKGWIAGDSA-N	0	1	549.627	5.454	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccnc2)nc1C	ZINC000097955656	553832545	/nfs/dbraw/zinc/83/25/45/553832545.db2.gz	SZXDLQDWZKSTQR-AREMUKBSSA-N	0	1	581.650	5.860	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(N(C)C)cc2)cc1	ZINC000097955750	553833531	/nfs/dbraw/zinc/83/35/31/553833531.db2.gz	HGYHCUIKPNFRTD-SSEXGKCCSA-N	0	1	533.628	5.814	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1OC	ZINC000097955870	553834576	/nfs/dbraw/zinc/83/45/76/553834576.db2.gz	LJMBYFDSUQGAHY-SANMLTNESA-N	0	1	542.613	5.831	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OCC)cc2)nc1C	ZINC000097956797	553841747	/nfs/dbraw/zinc/84/17/47/553841747.db2.gz	WWIGXJAPRKMINB-JOCHJYFZSA-N	0	1	536.606	5.127	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC	ZINC000029747943	553849200	/nfs/dbraw/zinc/84/92/00/553849200.db2.gz	IFVRPRCKRJDAKN-PRAQEBQASA-N	0	1	599.640	5.635	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@H]3c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	ZINC000097960019	553867621	/nfs/dbraw/zinc/86/76/21/553867621.db2.gz	PBWAOCFLQXGNPZ-JLKRBFOBSA-N	0	1	660.924	10.561	50	30		KKEAMN
COc1ccc(Nc2nc(=NN=Cc3ccc(-c4ccc(Cl)cc4)o3)nc(N3CCC(Cc4ccccc4)CC3)[nH]2)cc1	ZINC000097965569	553905502	/nfs/dbraw/zinc/90/55/02/553905502.db2.gz	XBPNYTJMGSWJGI-QHDYCIAZSA-N	0	1	594.119	7.442	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000097966799	553910332	/nfs/dbraw/zinc/91/03/32/553910332.db2.gz	UJVNWNJBYJXVKH-GDLZYMKVSA-N	0	1	640.714	6.482	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OC	ZINC000097966808	553910407	/nfs/dbraw/zinc/91/04/07/553910407.db2.gz	RSLWOEQFJHTOBG-PMERELPUSA-N	0	1	567.642	5.456	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000097966903	553911533	/nfs/dbraw/zinc/91/15/33/553911533.db2.gz	GJHOIVAKCYIXDO-HKBQPEDESA-N	0	1	548.639	7.140	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C	ZINC000097966930	553911951	/nfs/dbraw/zinc/91/19/51/553911951.db2.gz	PCVRJMHWZSIMSM-YTTGMZPUSA-N	0	1	584.713	6.123	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000097966988	553912751	/nfs/dbraw/zinc/91/27/51/553912751.db2.gz	YPTWPZJQSOKWQL-YTTGMZPUSA-N	0	1	642.675	9.526	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000097967061	553913480	/nfs/dbraw/zinc/91/34/80/553913480.db2.gz	WEGYRGQEFZMWQR-WKRVVKTRSA-N	0	1	555.671	6.756	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OC)c2)nc1C	ZINC000097967223	553915297	/nfs/dbraw/zinc/91/52/97/553915297.db2.gz	WWMOEEXRCVSEEM-AREMUKBSSA-N	0	1	600.649	5.623	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000097967329	553917149	/nfs/dbraw/zinc/91/71/49/553917149.db2.gz	TXDTVXIBWAPKEC-IZHWHUGBSA-N	0	1	577.634	6.215	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1	ZINC000097967336	553917265	/nfs/dbraw/zinc/91/72/65/553917265.db2.gz	QVKCLDMCJOJDRQ-KATKFWMUSA-N	0	1	726.276	8.568	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097967378	553917604	/nfs/dbraw/zinc/91/76/04/553917604.db2.gz	WLCAPYHJBBGDRB-FLASPHMUSA-N	0	1	677.848	8.659	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000097967482	553918832	/nfs/dbraw/zinc/91/88/32/553918832.db2.gz	JPOXTEIXQAKOMZ-JRPXNJEYSA-N	0	1	556.659	6.151	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1	ZINC000097967464	553918868	/nfs/dbraw/zinc/91/88/68/553918868.db2.gz	DFOVUANHJZWTTG-PMERELPUSA-N	0	1	582.623	9.509	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCn2ccnc2)ccc1O	ZINC000097967486	553919411	/nfs/dbraw/zinc/91/94/11/553919411.db2.gz	KXYWRFHWXYMQTM-GDLZYMKVSA-N	0	1	553.615	5.153	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O	ZINC000097967526	553919680	/nfs/dbraw/zinc/91/96/80/553919680.db2.gz	ZPMIYTGVFDGHRW-SPSFWMDKSA-N	0	1	627.900	6.533	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O	ZINC000097967528	553919722	/nfs/dbraw/zinc/91/97/22/553919722.db2.gz	ZPMIYTGVFDGHRW-SFDCACGMSA-N	0	1	627.900	6.533	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097967555	553920165	/nfs/dbraw/zinc/92/01/65/553920165.db2.gz	OTNJAPKMFWJVKA-MYYSRTQBSA-N	0	1	610.544	7.244	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000097967593	553920616	/nfs/dbraw/zinc/92/06/16/553920616.db2.gz	RPALZPCDFUSIQJ-DAOPMYJZSA-N	0	1	571.869	7.363	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000097967657	553921445	/nfs/dbraw/zinc/92/14/45/553921445.db2.gz	LDSHWEMHPXUUEP-NDEPHWFRSA-N	0	1	597.048	7.296	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C	ZINC000097967687	553921867	/nfs/dbraw/zinc/92/18/67/553921867.db2.gz	WSXWKYRSCBLMHF-HEIROHQZSA-N	0	1	685.868	8.069	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000097967705	553921963	/nfs/dbraw/zinc/92/19/63/553921963.db2.gz	AUDIOSAGIXFCJF-UKPGIYTDSA-N	0	1	706.286	8.558	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000097967850	553923954	/nfs/dbraw/zinc/92/39/54/553923954.db2.gz	VUOHDBJGJHSMNN-YRVHBCJASA-N	0	1	712.677	8.431	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C	ZINC000097967836	553924054	/nfs/dbraw/zinc/92/40/54/553924054.db2.gz	IWDPMZWJTHNKIO-PMERELPUSA-N	0	1	742.703	8.515	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000097967919	553924924	/nfs/dbraw/zinc/92/49/24/553924924.db2.gz	QGEUBPINKKCXJR-HSZRJFAPSA-N	0	1	612.516	6.691	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000097967955	553925715	/nfs/dbraw/zinc/92/57/15/553925715.db2.gz	WNGCIBPDCBYSNF-RBSBEOHCSA-N	0	1	710.661	8.207	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000097968004	553926166	/nfs/dbraw/zinc/92/61/66/553926166.db2.gz	HIGVSZHLKTWPSO-LFPIHBKWSA-N	0	1	628.534	7.383	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097968006	553926234	/nfs/dbraw/zinc/92/62/34/553926234.db2.gz	HZWRYUDSHZSEDL-MHZLTWQESA-N	0	1	633.723	6.703	50	30		KKEAMN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000097968014	553926663	/nfs/dbraw/zinc/92/66/63/553926663.db2.gz	NSSLFSKOHWEFPC-SANMLTNESA-N	0	1	603.697	6.647	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000097968070	553926957	/nfs/dbraw/zinc/92/69/57/553926957.db2.gz	JBFUHULSNCKJHE-PKHCJMHPSA-N	0	1	740.731	9.211	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(I)cc1	ZINC000033353942	553927484	/nfs/dbraw/zinc/92/74/84/553927484.db2.gz	CEOGWBKDBUZTEN-PMERELPUSA-N	0	1	664.068	10.004	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097968098	553927539	/nfs/dbraw/zinc/92/75/39/553927539.db2.gz	WCKCFJPYWAXQSA-HHHXNRCGSA-N	0	1	649.722	6.321	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1	ZINC000097968123	553927999	/nfs/dbraw/zinc/92/79/99/553927999.db2.gz	MNIUILGNVNXFSA-XIFFEERXSA-N	0	1	707.830	7.671	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097968130	553928031	/nfs/dbraw/zinc/92/80/31/553928031.db2.gz	XYEGYXVKEGNKHV-MUUNZHRXSA-N	0	1	680.204	7.225	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097968154	553928329	/nfs/dbraw/zinc/92/83/29/553928329.db2.gz	ZZCKGSFVKCACHG-MUUNZHRXSA-N	0	1	647.750	7.093	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097968183	553928857	/nfs/dbraw/zinc/92/88/57/553928857.db2.gz	DBDHCLCTCOWZAG-MHZLTWQESA-N	0	1	684.623	7.870	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000097968210	553929072	/nfs/dbraw/zinc/92/90/72/553929072.db2.gz	LVKRGTVEFNVLEI-HSZRJFAPSA-N	0	1	579.606	5.663	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000097968233	553929623	/nfs/dbraw/zinc/92/96/23/553929623.db2.gz	IOCMNPPNCPEVOZ-DEOSSOPVSA-N	0	1	591.642	5.532	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1	ZINC000097968245	553929654	/nfs/dbraw/zinc/92/96/54/553929654.db2.gz	FLIYZQDPDZXOCQ-MHZLTWQESA-N	0	1	599.734	6.816	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097968242	553929669	/nfs/dbraw/zinc/92/96/69/553929669.db2.gz	SMPVWOZICPOMDL-AREMUKBSSA-N	0	1	617.680	6.088	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097968266	553930097	/nfs/dbraw/zinc/93/00/97/553930097.db2.gz	ZYZCYXCKRUMVCB-HHHXNRCGSA-N	0	1	615.733	6.482	50	30		KKEAMN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000097968300	553930272	/nfs/dbraw/zinc/93/02/72/553930272.db2.gz	MIRKDLLUEFMJRE-SANMLTNESA-N	0	1	620.152	7.161	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C	ZINC000097968333	553930853	/nfs/dbraw/zinc/93/08/53/553930853.db2.gz	XFPJLLJNVZNYBO-HHHXNRCGSA-N	0	1	606.697	6.032	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@@H]3c2ccc(F)cc2)cc1	ZINC000033354703	553930859	/nfs/dbraw/zinc/93/08/59/553930859.db2.gz	CJVQAHSAWKYOOD-JIYROHSKSA-N	0	1	553.033	7.702	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000033354682	553930914	/nfs/dbraw/zinc/93/09/14/553930914.db2.gz	QHALWPNBLRJJLP-IJAHGLKVSA-N	0	1	632.713	7.022	50	30		KKEAMN
CCCCCCCCCCOP(=O)(N=c1c(Cl)c(Cl)[nH]c(Cl)c1Cl)OCCCCCCCCCC	ZINC000033354870	553931928	/nfs/dbraw/zinc/93/19/28/553931928.db2.gz	YSLFLFXMYUPKHE-UHFFFAOYSA-N	0	1	592.416	11.530	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000097968404	553931988	/nfs/dbraw/zinc/93/19/88/553931988.db2.gz	OGOFCOBMSZPQBC-SSEXGKCCSA-N	0	1	667.740	7.103	50	30		KKEAMN
O=C(c1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1	ZINC000033355656	553936057	/nfs/dbraw/zinc/93/60/57/553936057.db2.gz	XFRSXAFAHXIXAV-AFJIDDCJSA-N	0	1	529.036	7.755	50	30		KKEAMN
O=C(c1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1	ZINC000033355655	553936107	/nfs/dbraw/zinc/93/61/07/553936107.db2.gz	XFRSXAFAHXIXAV-WRONEBCDSA-N	0	1	529.036	7.755	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000097969113	553936555	/nfs/dbraw/zinc/93/65/55/553936555.db2.gz	STNWURUBNKAIDM-PMERELPUSA-N	0	1	550.611	5.852	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000097969119	553936641	/nfs/dbraw/zinc/93/66/41/553936641.db2.gz	NNTGAVYNNWRASO-HKBQPEDESA-N	0	1	570.686	5.273	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097969139	553936979	/nfs/dbraw/zinc/93/69/79/553936979.db2.gz	YGFQPUVYTGIHNR-QLXKLKPCSA-N	0	1	603.697	6.475	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097969172	553937355	/nfs/dbraw/zinc/93/73/55/553937355.db2.gz	IRKSMRLZNNHUNP-DFXYEROKSA-N	0	1	657.814	7.433	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097969198	553937674	/nfs/dbraw/zinc/93/76/74/553937674.db2.gz	WHALWRZCWJRFPQ-UVDDSOTQSA-N	0	1	647.778	7.516	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000097969214	553938371	/nfs/dbraw/zinc/93/83/71/553938371.db2.gz	GBEGMMCZPIBUON-SSEXGKCCSA-N	0	1	550.611	5.852	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097969273	553938817	/nfs/dbraw/zinc/93/88/17/553938817.db2.gz	QWXFTZGHMPHVBT-WRONEBCDSA-N	0	1	662.233	8.159	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1	ZINC000097969259	553938839	/nfs/dbraw/zinc/93/88/39/553938839.db2.gz	MNGCOQPBUCRPPY-NBLPZQPVSA-N	0	1	709.821	8.054	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1	ZINC000097969363	553940194	/nfs/dbraw/zinc/94/01/94/553940194.db2.gz	VUOXJNAFLMSOLU-ZAMGYDSWSA-N	0	1	581.875	6.819	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097969355	553940255	/nfs/dbraw/zinc/94/02/55/553940255.db2.gz	QUSXHHOYRTUXTC-OLILMLBXSA-N	0	1	662.233	8.015	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097969372	553940427	/nfs/dbraw/zinc/94/04/27/553940427.db2.gz	MRZKAZSVTBFZQT-HMILPKGGSA-N	0	1	648.206	7.769	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000097969455	553941230	/nfs/dbraw/zinc/94/12/30/553941230.db2.gz	LCAIELLCNRGPCV-YTTGMZPUSA-N	0	1	600.712	5.282	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000097969499	553941457	/nfs/dbraw/zinc/94/14/57/553941457.db2.gz	GECWUNJCDDKVLX-YTTGMZPUSA-N	0	1	584.713	6.267	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1	ZINC000097969502	553941477	/nfs/dbraw/zinc/94/14/77/553941477.db2.gz	CEQQSJHFERKWOX-GDLZYMKVSA-N	0	1	561.078	5.528	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000097969498	553941612	/nfs/dbraw/zinc/94/16/12/553941612.db2.gz	WDSBAXTZOSRDIM-SANMLTNESA-N	0	1	637.541	7.605	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000097969533	553941811	/nfs/dbraw/zinc/94/18/11/553941811.db2.gz	GRHXUZGHDYYOQO-YTTGMZPUSA-N	0	1	660.748	8.091	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000097969574	553942702	/nfs/dbraw/zinc/94/27/02/553942702.db2.gz	KIZXGUVWZCHUBG-LJAQVGFWSA-N	0	1	558.631	5.599	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1	ZINC000097969592	553942706	/nfs/dbraw/zinc/94/27/06/553942706.db2.gz	BKPXUYWKGIQNJW-WJOKGBTCSA-N	0	1	578.621	5.609	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097969735	553944091	/nfs/dbraw/zinc/94/40/91/553944091.db2.gz	KCRJCYIUCXXRLV-SLQAJWMNSA-N	0	1	659.761	7.039	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097969737	553944138	/nfs/dbraw/zinc/94/41/38/553944138.db2.gz	KCRJCYIUCXXRLV-XBBWARJSSA-N	0	1	659.761	7.039	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097969774	553944594	/nfs/dbraw/zinc/94/45/94/553944594.db2.gz	DISQCVSQOMEVOF-ACSYHNTCSA-N	0	1	641.771	6.900	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000097969811	553945525	/nfs/dbraw/zinc/94/55/25/553945525.db2.gz	JONNWPWVOCBTFL-SGANQWHYSA-N	0	1	591.483	6.564	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2ccncc2)cc1OC	ZINC000097969918	553946814	/nfs/dbraw/zinc/94/68/14/553946814.db2.gz	DECNLRJXCRJBOW-SSEXGKCCSA-N	0	1	550.611	5.765	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000097969937	553947271	/nfs/dbraw/zinc/94/72/71/553947271.db2.gz	QPJGNPJEKWYLAM-PUAOIOHZSA-N	0	1	617.680	5.862	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1	ZINC000097969991	553947693	/nfs/dbraw/zinc/94/76/93/553947693.db2.gz	ULTWMGQZVXQPPZ-WJOKGBTCSA-N	0	1	578.621	5.609	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C	ZINC000097970129	553949943	/nfs/dbraw/zinc/94/99/43/553949943.db2.gz	LJJBLXGONNSSAK-MUUNZHRXSA-N	0	1	626.687	6.179	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C	ZINC000097970146	553950090	/nfs/dbraw/zinc/95/00/90/553950090.db2.gz	HAFMANOOEOBYDS-PUAOIOHZSA-N	0	1	592.670	5.532	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097970196	553950853	/nfs/dbraw/zinc/95/08/53/553950853.db2.gz	UQNYJGMXKNFWLD-JCOAXYOVSA-N	0	1	689.831	8.044	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097970251	553951614	/nfs/dbraw/zinc/95/16/14/553951614.db2.gz	MHLZOTAOWYRUMM-GDJIYFAZSA-N	0	1	631.751	7.255	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000097970287	553952113	/nfs/dbraw/zinc/95/21/13/553952113.db2.gz	QKPOOZSRHXJWID-MQNRADLISA-N	0	1	668.580	7.030	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C	ZINC000097970361	553952972	/nfs/dbraw/zinc/95/29/72/553952972.db2.gz	TYPNRCBRLJCNSC-UKPGIYTDSA-N	0	1	706.286	8.414	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1	ZINC000097970399	553953731	/nfs/dbraw/zinc/95/37/31/553953731.db2.gz	DFQRKEUPRRUXJU-ICACTRECSA-N	0	1	576.649	6.161	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000097970430	553954090	/nfs/dbraw/zinc/95/40/90/553954090.db2.gz	HWJRXJRFVWQPMP-RZFZLAGVSA-N	0	1	567.450	6.718	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097970449	553954159	/nfs/dbraw/zinc/95/41/59/553954159.db2.gz	KBNPZYBIQRYOMH-HEIROHQZSA-N	0	1	685.868	8.213	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097970447	553954220	/nfs/dbraw/zinc/95/42/20/553954220.db2.gz	KBNPZYBIQRYOMH-UDNBHOFDSA-N	0	1	685.868	8.213	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097970477	553954461	/nfs/dbraw/zinc/95/44/61/553954461.db2.gz	BZLPTEFJJCHWLY-GDJIYFAZSA-N	0	1	648.206	7.769	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000097970486	553954593	/nfs/dbraw/zinc/95/45/93/553954593.db2.gz	ZYZUKXDVCOAGCO-MUUNZHRXSA-N	0	1	628.703	6.316	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)s2)cc1	ZINC000097970533	553955516	/nfs/dbraw/zinc/95/55/16/553955516.db2.gz	AZYXLUOLMQKORJ-SSOJOUAXSA-N	0	1	590.126	6.899	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097970527	553955609	/nfs/dbraw/zinc/95/56/09/553955609.db2.gz	QXKHCNZXMLNJDA-WXTAPIANSA-N	0	1	585.707	6.335	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097970606	553956262	/nfs/dbraw/zinc/95/62/62/553956262.db2.gz	CJSBRYRZCMCVEJ-IZHWHUGBSA-N	0	1	610.544	7.244	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(N(C)C)cc3)cc2)c1	ZINC000097970589	553956271	/nfs/dbraw/zinc/95/62/71/553956271.db2.gz	KLYMJXQPSOWZDL-SSEXGKCCSA-N	0	1	550.659	5.505	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000097970613	553956313	/nfs/dbraw/zinc/95/63/13/553956313.db2.gz	QOUZDBZMIDPHES-XRHLQHRESA-N	0	1	620.724	6.312	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(N(C)C)cc3)cc2)c1	ZINC000097970588	553956407	/nfs/dbraw/zinc/95/64/07/553956407.db2.gz	KLYMJXQPSOWZDL-PMERELPUSA-N	0	1	550.659	5.505	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1	ZINC000097970652	553957235	/nfs/dbraw/zinc/95/72/35/553957235.db2.gz	YHSRUCQWLCRUQR-SSEXGKCCSA-N	0	1	556.162	9.539	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097970681	553957552	/nfs/dbraw/zinc/95/75/52/553957552.db2.gz	NXRVYOJURONNTG-DNOBIOAJSA-N	0	1	615.708	6.641	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097970682	553957572	/nfs/dbraw/zinc/95/75/72/553957572.db2.gz	NXRVYOJURONNTG-XRHLQHRESA-N	0	1	615.708	6.641	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097970714	553957907	/nfs/dbraw/zinc/95/79/07/553957907.db2.gz	SIVQTGCMDKITIU-MMTVBGGISA-N	0	1	613.761	7.034	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097970713	553958006	/nfs/dbraw/zinc/95/80/06/553958006.db2.gz	SIVQTGCMDKITIU-WTYVLRPYSA-N	0	1	613.761	7.034	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097970760	553958276	/nfs/dbraw/zinc/95/82/76/553958276.db2.gz	BGJCALJOSRDVQH-ADXZGYQBSA-N	0	1	676.216	7.554	50	30		KKEAMN
CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000097970903	553959159	/nfs/dbraw/zinc/95/91/59/553959159.db2.gz	FWCQZYLNNMXWRI-WJOKGBTCSA-N	0	1	554.687	5.437	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000097970919	553959595	/nfs/dbraw/zinc/95/95/95/553959595.db2.gz	WBRYZUKEBRXREE-LJAQVGFWSA-N	0	1	595.523	6.181	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1	ZINC000097999743	554045541	/nfs/dbraw/zinc/04/55/41/554045541.db2.gz	KVFGNMQCZMIODP-LJTBLCAVSA-N	0	1	649.187	8.637	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	ZINC000097999772	554045960	/nfs/dbraw/zinc/04/59/60/554045960.db2.gz	LGMMQDNXRHFURG-WXWXLQMXSA-N	0	1	663.258	10.107	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1	ZINC000097999836	554046176	/nfs/dbraw/zinc/04/61/76/554046176.db2.gz	FQAVNYLSQUPLDZ-AIJWEMPKSA-N	0	1	607.150	8.547	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	ZINC000097999882	554046790	/nfs/dbraw/zinc/04/67/90/554046790.db2.gz	CAJNJSGKHRQOQR-XJDVZLJJSA-N	0	1	683.676	10.452	50	30		KKEAMN
Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(CCOc3ccc(Cl)cc3)CC2)c1Cc1ccccc1Cl	ZINC000098000303	554049850	/nfs/dbraw/zinc/04/98/50/554049850.db2.gz	PQBJFCDCHZFUOK-UHFFFAOYSA-N	0	1	570.524	6.766	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1	ZINC000098003650	554055781	/nfs/dbraw/zinc/05/57/81/554055781.db2.gz	DIGWGDPLQSYITM-RGJYROARSA-N	0	1	627.568	8.892	50	30		KKEAMN
CCN(CC)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2CC(=O)NC2CCCCC2)cc1	ZINC000098042812	554122667	/nfs/dbraw/zinc/12/26/67/554122667.db2.gz	BFBSUMKWSYRBDG-LHAPQZOASA-N	0	1	566.746	6.949	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccc(C)cc4)C3)[C@H]2c2cccc(Br)c2)cc(OC)c1OC	ZINC000098045243	554131327	/nfs/dbraw/zinc/13/13/27/554131327.db2.gz	MVQGIUXJCBTBCJ-PBUKZNKTSA-N	0	1	653.573	7.998	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)cc1C	ZINC000098046337	554137942	/nfs/dbraw/zinc/13/79/42/554137942.db2.gz	FBPLRWIQULXJFN-FQEVSTJZSA-N	0	1	526.998	5.382	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccccc2F)cc1	ZINC000098046445	554138869	/nfs/dbraw/zinc/13/88/69/554138869.db2.gz	WMGQRFUWGHGMAN-VWLOTQADSA-N	0	1	575.687	6.931	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000098046506	554139849	/nfs/dbraw/zinc/13/98/49/554139849.db2.gz	DHJJKNKQKKEPCW-MUUNZHRXSA-N	0	1	660.148	8.207	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000098046525	554140111	/nfs/dbraw/zinc/14/01/11/554140111.db2.gz	YCVDMMBWNYISBV-MUUNZHRXSA-N	0	1	611.745	7.847	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000098046540	554140349	/nfs/dbraw/zinc/14/03/49/554140349.db2.gz	DLPCQUBJVZMJOC-MHZLTWQESA-N	0	1	615.708	7.678	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000098046541	554140383	/nfs/dbraw/zinc/14/03/83/554140383.db2.gz	PXWMTOTTXILKTE-AREMUKBSSA-N	0	1	599.665	7.063	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000098046592	554141075	/nfs/dbraw/zinc/14/10/75/554141075.db2.gz	GKSYYBJSRXPQGP-OAQYLSRUSA-N	0	1	570.117	6.727	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC	ZINC000098046616	554141686	/nfs/dbraw/zinc/14/16/86/554141686.db2.gz	LEYLUILROIWHJG-MUUNZHRXSA-N	0	1	621.111	7.081	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc(Br)c3)cc2)c1	ZINC000098046673	554142414	/nfs/dbraw/zinc/14/24/14/554142414.db2.gz	YPJLVMIFGKAENO-MUUNZHRXSA-N	0	1	569.455	6.510	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(Br)cc3)cc2)c1	ZINC000098046684	554142426	/nfs/dbraw/zinc/14/24/26/554142426.db2.gz	KQUFFLOGBYZGIO-NDEPHWFRSA-N	0	1	586.486	6.202	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)s1	ZINC000098046702	554142736	/nfs/dbraw/zinc/14/27/36/554142736.db2.gz	PGPJTLJZIMDHHA-PMERELPUSA-N	0	1	589.673	7.309	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000098046845	554144179	/nfs/dbraw/zinc/14/41/79/554144179.db2.gz	SEHPMFUPYZCRGY-QFIPXVFZSA-N	0	1	584.506	6.929	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047232	554147993	/nfs/dbraw/zinc/14/79/93/554147993.db2.gz	FVAKIRMXJJQDCQ-LJAQVGFWSA-N	0	1	625.747	8.003	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O	ZINC000098047228	554148003	/nfs/dbraw/zinc/14/80/03/554148003.db2.gz	HHCCRBNIIYFGEB-MHZLTWQESA-N	0	1	613.692	6.928	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O	ZINC000098047234	554148027	/nfs/dbraw/zinc/14/80/27/554148027.db2.gz	VUYVAEYFDBSXIL-NDEPHWFRSA-N	0	1	627.719	7.318	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccncc2)cc1F	ZINC000098047262	554148312	/nfs/dbraw/zinc/14/83/12/554148312.db2.gz	XFBWYUFAZAGBDD-VWLOTQADSA-N	0	1	584.654	6.309	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC	ZINC000098047290	554148792	/nfs/dbraw/zinc/14/87/92/554148792.db2.gz	WRAWZMZYHBOSSO-DEOSSOPVSA-N	0	1	550.633	5.633	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(O)cc2)cc1F	ZINC000098047274	554148827	/nfs/dbraw/zinc/14/88/27/554148827.db2.gz	CKRAADJNCWPBMY-SANMLTNESA-N	0	1	599.665	6.620	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccccc2)cc1	ZINC000098047292	554148921	/nfs/dbraw/zinc/14/89/21/554148921.db2.gz	AMHBIZMLTJHBLX-VWLOTQADSA-N	0	1	575.687	6.931	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(OC)c2)cc1	ZINC000098047364	554150045	/nfs/dbraw/zinc/15/00/45/554150045.db2.gz	KODROKCCMSSZDW-AREMUKBSSA-N	0	1	622.168	7.454	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1	ZINC000098047402	554150565	/nfs/dbraw/zinc/15/05/65/554150565.db2.gz	XYXNWFPIHXBMIR-GDLZYMKVSA-N	0	1	664.249	8.625	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000098047416	554150574	/nfs/dbraw/zinc/15/05/74/554150574.db2.gz	HCSNZWUEVUMLPY-WJOKGBTCSA-N	0	1	657.858	8.670	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000098047398	554150618	/nfs/dbraw/zinc/15/06/18/554150618.db2.gz	HMQYIVFYDHCTCZ-HSZRJFAPSA-N	0	1	644.533	7.154	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(Cl)cc2)cc1C	ZINC000098047441	554150904	/nfs/dbraw/zinc/15/09/04/554150904.db2.gz	OBTMVPDFRIXTLA-QFIPXVFZSA-N	0	1	555.052	6.162	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000098047472	554151404	/nfs/dbraw/zinc/15/14/04/554151404.db2.gz	UIMFBEUEECWFMV-MUUNZHRXSA-N	0	1	666.221	7.853	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000098047462	554151450	/nfs/dbraw/zinc/15/14/50/554151450.db2.gz	DDPJLRWNEMYGKZ-JGCGQSQUSA-N	0	1	681.811	8.510	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OC	ZINC000098047504	554151813	/nfs/dbraw/zinc/15/18/13/554151813.db2.gz	GTPNYNQOBIBJLD-LJAQVGFWSA-N	0	1	661.777	7.505	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000098047501	554151820	/nfs/dbraw/zinc/15/18/20/554151820.db2.gz	BJMDPHUIRMUSCC-RUZDIDTESA-N	0	1	606.697	6.013	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000098047536	554152188	/nfs/dbraw/zinc/15/21/88/554152188.db2.gz	VBDBPEGGKXEZRN-HHHXNRCGSA-N	0	1	682.220	7.471	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000098047525	554152239	/nfs/dbraw/zinc/15/22/39/554152239.db2.gz	NMOFKRJMBSYBNP-QHCPKHFHSA-N	0	1	567.063	6.410	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000098047533	554152334	/nfs/dbraw/zinc/15/23/34/554152334.db2.gz	WFEWIGAQXGEMOE-YTTGMZPUSA-N	0	1	722.329	9.413	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000098047554	554152763	/nfs/dbraw/zinc/15/27/63/554152763.db2.gz	XVADDYIEWIKOHF-HKBQPEDESA-N	0	1	691.847	8.365	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000098047593	554153067	/nfs/dbraw/zinc/15/30/67/554153067.db2.gz	SVHBUKYXBLDGHG-AREMUKBSSA-N	0	1	616.721	7.009	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1	ZINC000098047588	554153074	/nfs/dbraw/zinc/15/30/74/554153074.db2.gz	CJSYEGQWQJGPOG-HKBQPEDESA-N	0	1	708.302	9.023	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000098047622	554153403	/nfs/dbraw/zinc/15/34/03/554153403.db2.gz	XGXXOSMWJBCIPP-NDEPHWFRSA-N	0	1	631.776	7.118	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000098047623	554153608	/nfs/dbraw/zinc/15/36/08/554153608.db2.gz	DUIUQBSRWUFXNQ-JGCGQSQUSA-N	0	1	705.874	8.899	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000098047637	554153890	/nfs/dbraw/zinc/15/38/90/554153890.db2.gz	CHJOYFQTZXOUMI-HHHXNRCGSA-N	0	1	619.740	7.330	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccs2)cc1F	ZINC000098047712	554154877	/nfs/dbraw/zinc/15/48/77/554154877.db2.gz	AYTRPYQBOATZOY-DEOSSOPVSA-N	0	1	589.695	6.976	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1F	ZINC000098047727	554154920	/nfs/dbraw/zinc/15/49/20/554154920.db2.gz	HDDUMLQWFVPTBA-MUUNZHRXSA-N	0	1	643.718	6.931	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(O)c2)cc1F	ZINC000098047737	554155415	/nfs/dbraw/zinc/15/54/15/554155415.db2.gz	QLNVTEKSUACMQH-AREMUKBSSA-N	0	1	599.665	6.620	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccccc2)cc1OC	ZINC000098047774	554155899	/nfs/dbraw/zinc/15/58/99/554155899.db2.gz	RKJIWXGARLUGHG-MHZLTWQESA-N	0	1	595.702	6.784	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1OC	ZINC000098047792	554156140	/nfs/dbraw/zinc/15/61/40/554156140.db2.gz	HIUFHJBJEWPUJP-LJAQVGFWSA-N	0	1	655.754	6.801	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cc(Br)c(O)c(OC)c2)cc1	ZINC000098047846	554156722	/nfs/dbraw/zinc/15/67/22/554156722.db2.gz	VENHRUMRZMUKQF-QFIPXVFZSA-N	0	1	540.366	5.100	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000098047854	554157012	/nfs/dbraw/zinc/15/70/12/554157012.db2.gz	ZBMQMPFTUOJHGR-MHZLTWQESA-N	0	1	640.699	6.692	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000098047896	554157336	/nfs/dbraw/zinc/15/73/36/554157336.db2.gz	UOSKJOPCINLQMN-MHZLTWQESA-N	0	1	625.659	6.373	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)ccc1O	ZINC000098048013	554158311	/nfs/dbraw/zinc/15/83/11/554158311.db2.gz	MUUKNVUYNRZTPB-SANMLTNESA-N	0	1	542.613	5.918	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nnc(C(C)C)s2)ccc1OCCC(C)C	ZINC000098047983	554158398	/nfs/dbraw/zinc/15/83/98/554158398.db2.gz	KRTVAHOSUCURNE-HSZRJFAPSA-N	0	1	539.629	6.017	50	30		KKEAMN
Cc1ccc2nc(-c3ccc(/N=C/c4cc(I)cc(I)c4O)cc3)oc2c1	ZINC000100025852	554183674	/nfs/dbraw/zinc/18/36/74/554183674.db2.gz	XMNXRULNGFTALH-BHGWPJFGSA-N	0	1	580.163	6.469	50	30		KKEAMN
Cc1cccc2oc(-c3ccc(/N=C/c4cc(I)cc(I)c4O)cc3)nc21	ZINC000100046897	554193817	/nfs/dbraw/zinc/19/38/17/554193817.db2.gz	NNZBIKFRCUHNBF-BHGWPJFGSA-N	0	1	580.163	6.469	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3cccc(F)c3)nc2c1	ZINC000100046260	554193909	/nfs/dbraw/zinc/19/39/09/554193909.db2.gz	RIJJXWIQYNWYKC-YSURURNPSA-N	0	1	584.126	6.299	50	30		KKEAMN
O=C(Nc1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000100052644	554194912	/nfs/dbraw/zinc/19/49/12/554194912.db2.gz	OYAWYPSJENPRNG-SLQAJWMNSA-N	0	1	544.438	8.193	50	30		KKEAMN
O=C(CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2s1)NC1CC1	ZINC000100086119	554209108	/nfs/dbraw/zinc/20/91/08/554209108.db2.gz	AZFFQJHYPNBCGH-GZIVZEMBSA-N	0	1	541.290	5.648	50	30		KKEAMN
COc1ccccc1[C@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)c1cccc2ccccc21	ZINC000100142031	554228328	/nfs/dbraw/zinc/22/83/28/554228328.db2.gz	LVYWWXMWWHDMLL-HUBRWUETSA-N	0	1	540.619	7.656	50	30		KKEAMN
CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000040165444	554282917	/nfs/dbraw/zinc/28/29/17/554282917.db2.gz	SRRQPVVYXBTRQK-XMMPIXPASA-O	0	1	510.673	5.602	50	30	endogenous,in-man	KKEAMN
CCCOc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)C(F)(F)F	ZINC000053305929	554333080	/nfs/dbraw/zinc/33/30/80/554333080.db2.gz	ZBTVEZAYTNGJOI-OLILMLBXSA-N	0	1	550.577	6.947	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000053306255	554333471	/nfs/dbraw/zinc/33/34/71/554333471.db2.gz	GAFQZEOTGZVCKK-JOCHJYFZSA-N	0	1	553.409	6.380	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000053306272	554333633	/nfs/dbraw/zinc/33/36/33/554333633.db2.gz	HEQOALRPSGNUFR-QHCPKHFHSA-N	0	1	531.546	5.395	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000053306186	554333658	/nfs/dbraw/zinc/33/36/58/554333658.db2.gz	NMOBWLRIYNJCSL-QHCPKHFHSA-N	0	1	565.445	6.249	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000053306332	554333900	/nfs/dbraw/zinc/33/39/00/554333900.db2.gz	JONNWPWVOCBTFL-MQNRADLISA-N	0	1	591.483	6.564	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Br)cc1	ZINC000053307140	554334618	/nfs/dbraw/zinc/33/46/18/554334618.db2.gz	ITBGOPCBUUUPPR-AREMUKBSSA-N	0	1	549.465	5.476	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Br)cc1	ZINC000053307140	554334622	/nfs/dbraw/zinc/33/46/22/554334622.db2.gz	ITBGOPCBUUUPPR-AREMUKBSSA-N	0	1	549.465	5.476	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000053306956	554334776	/nfs/dbraw/zinc/33/47/76/554334776.db2.gz	JANFJLQACDDVHJ-HSZRJFAPSA-N	0	1	531.546	5.395	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000053307509	554335006	/nfs/dbraw/zinc/33/50/06/554335006.db2.gz	YNQZPWXAVUXXRV-LJQANCHMSA-N	0	1	547.416	5.645	50	30		KKEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)c1	ZINC000053307666	554335482	/nfs/dbraw/zinc/33/54/82/554335482.db2.gz	YYSYCORRHYWJPR-QFIPXVFZSA-N	0	1	541.398	5.535	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000053319177	554336670	/nfs/dbraw/zinc/33/66/70/554336670.db2.gz	YEXXSOWRKGVPDB-NRFANRHFSA-N	0	1	521.392	5.850	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)cc1C	ZINC000053319394	554337518	/nfs/dbraw/zinc/33/75/18/554337518.db2.gz	HPLUMIAKUYCBTA-VWLOTQADSA-N	0	1	535.438	6.110	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Br)c2)ccc1OCc1ccccc1	ZINC000053319397	554337562	/nfs/dbraw/zinc/33/75/62/554337562.db2.gz	BSZNIECWIAQEGG-AREMUKBSSA-N	0	1	549.465	5.476	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Br)c2)ccc1OCc1ccccc1	ZINC000053319397	554337565	/nfs/dbraw/zinc/33/75/65/554337565.db2.gz	BSZNIECWIAQEGG-AREMUKBSSA-N	0	1	549.465	5.476	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000053319443	554337945	/nfs/dbraw/zinc/33/79/45/554337945.db2.gz	WBSLOXSKPVVQQG-OAQYLSRUSA-N	0	1	541.025	5.770	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000053319510	554338596	/nfs/dbraw/zinc/33/85/96/554338596.db2.gz	RXNVSTXCMGPQIQ-HXUWFJFHSA-N	0	1	525.811	6.495	50	30		KKEAMN
O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1	ZINC000053334015	554339801	/nfs/dbraw/zinc/33/98/01/554339801.db2.gz	KOGLUBGNPXGHJU-JCOAXYOVSA-N	0	1	572.467	8.739	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC	ZINC000053334159	554340338	/nfs/dbraw/zinc/34/03/38/554340338.db2.gz	JJHBEKJZBAITEQ-DEOSSOPVSA-N	0	1	595.029	5.530	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Br)cn3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000053335145	554340551	/nfs/dbraw/zinc/34/05/51/554340551.db2.gz	VQFLDCNUGUKLAJ-OAQYLSRUSA-N	0	1	558.226	5.788	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000053336032	554341358	/nfs/dbraw/zinc/34/13/58/554341358.db2.gz	WFYJULAQFDODCZ-PVPMGCCUSA-N	0	1	577.058	6.463	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000053336318	554341655	/nfs/dbraw/zinc/34/16/55/554341655.db2.gz	HIBCNFLGJVVLRW-QHCPKHFHSA-N	0	1	549.004	5.918	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1	ZINC000053336901	554341790	/nfs/dbraw/zinc/34/17/90/554341790.db2.gz	TZWIOFFRPCDVQH-ZLOXQWCVSA-N	0	1	537.424	6.709	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000053337256	554342023	/nfs/dbraw/zinc/34/20/23/554342023.db2.gz	OCNRGNXMNIGZBG-OAQYLSRUSA-N	0	1	539.382	5.989	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000053337143	554342086	/nfs/dbraw/zinc/34/20/86/554342086.db2.gz	RNNWUVCNSWVOAV-BSEYFRJRSA-N	0	1	561.015	5.843	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000053337998	554342363	/nfs/dbraw/zinc/34/23/63/554342363.db2.gz	JPMUENKNBUIAFD-BSEYFRJRSA-N	0	1	543.557	5.319	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc(Cl)c2)cc1OC	ZINC000053359682	554345322	/nfs/dbraw/zinc/34/53/22/554345322.db2.gz	FWCDMNISLAQFNB-RBBQXQBVSA-N	0	1	565.069	7.572	50	30		KKEAMN
O=C1C(=Nc2ccc(OC(F)(F)F)cc2)C[C@@H](c2ccc(C(F)(F)F)cc2)N1c1ccc(OC(F)(F)F)cc1	ZINC000100384696	554364572	/nfs/dbraw/zinc/36/45/72/554364572.db2.gz	BNPBBOCVWNKRSR-NRFANRHFSA-N	0	1	562.388	7.587	50	30		KKEAMN
Fc1ccc(Nc2nc(N=NCc3ccc(-c4cccc(Cl)c4Cl)o3)nc(N3CCCCC3)n2)cc1	ZINC000100463664	554397695	/nfs/dbraw/zinc/39/76/95/554397695.db2.gz	ZINQLDZGOCTMCB-WKULSOCRSA-N	0	1	526.403	6.757	50	30		KKEAMN
CN(C)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000059641071	554416770	/nfs/dbraw/zinc/41/67/70/554416770.db2.gz	QAGIXCRBQCTUHQ-MUUNZHRXSA-N	0	1	549.502	7.908	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1	ZINC000100580075	554424762	/nfs/dbraw/zinc/42/47/62/554424762.db2.gz	HZLINTMBPGABGV-NRFANRHFSA-N	0	1	532.312	6.259	50	30		KKEAMN
O=C(C(O)=C(c1ccccc1)[C@H]1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@@H]1c1ccccc1)c1ccccc1	ZINC000100660295	554438509	/nfs/dbraw/zinc/43/85/09/554438509.db2.gz	GJTHMHRZFIJUGA-MKTDKWDHSA-N	0	1	532.639	7.816	50	30		KKEAMN
CCN(CC)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1	ZINC000100668536	554440506	/nfs/dbraw/zinc/44/05/06/554440506.db2.gz	YYVLATHVNYNJOY-QYTMHSNXSA-N	0	1	559.685	7.886	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000100672102	554441531	/nfs/dbraw/zinc/44/15/31/554441531.db2.gz	MBVLAHPEACZZBI-PMERELPUSA-N	0	1	534.612	6.750	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000100672409	554442020	/nfs/dbraw/zinc/44/20/20/554442020.db2.gz	SBIRVLAWUDOJPJ-WJOKGBTCSA-N	0	1	568.670	5.653	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccc(Br)c2)cc1	ZINC000100674880	554443346	/nfs/dbraw/zinc/44/33/46/554443346.db2.gz	GNUSEKUPDRAQFO-DEOSSOPVSA-N	0	1	627.557	6.989	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000100677689	554444602	/nfs/dbraw/zinc/44/46/02/554444602.db2.gz	UAFZEYCMIXSGRI-QHCPKHFHSA-N	0	1	552.624	6.038	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1OC	ZINC000100678355	554444945	/nfs/dbraw/zinc/44/49/45/554444945.db2.gz	CZYJWNRGPUWWBJ-GDLZYMKVSA-N	0	1	536.584	5.456	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000100679425	554445259	/nfs/dbraw/zinc/44/52/59/554445259.db2.gz	QXUXFTMTSIADJG-XMMPIXPASA-N	0	1	580.659	5.607	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000100679901	554445732	/nfs/dbraw/zinc/44/57/32/554445732.db2.gz	XOUGQNJUQVUHPA-MUUNZHRXSA-N	0	1	636.767	7.024	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000100679962	554446064	/nfs/dbraw/zinc/44/60/64/554446064.db2.gz	VNFHOLGWEJBYNR-MUUNZHRXSA-N	0	1	612.704	7.382	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000100680057	554446080	/nfs/dbraw/zinc/44/60/80/554446080.db2.gz	VFUSHGIYHUWLBV-HXUWFJFHSA-N	0	1	528.428	5.571	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(O)c(OCC)c2)cc1	ZINC000100680240	554446204	/nfs/dbraw/zinc/44/62/04/554446204.db2.gz	IWCRUUJZHDGFFB-DEOSSOPVSA-N	0	1	580.659	5.694	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2cccc(OC)c2)nc1C	ZINC000100680366	554446399	/nfs/dbraw/zinc/44/63/99/554446399.db2.gz	BKOVKFNRELTAIT-XMMPIXPASA-N	0	1	562.644	5.765	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCC=C)c(OC)c2)nc1C	ZINC000100680384	554446462	/nfs/dbraw/zinc/44/64/62/554446462.db2.gz	SXRQZGROTVDUCY-HHHXNRCGSA-N	0	1	618.708	6.330	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000100680822	554446794	/nfs/dbraw/zinc/44/67/94/554446794.db2.gz	LHAVDILIRFJDLH-SSEXGKCCSA-N	0	1	554.643	5.263	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2cccnc2)nc1C	ZINC000100680411	554446818	/nfs/dbraw/zinc/44/68/18/554446818.db2.gz	HFYHAWNUDVCLJX-JOCHJYFZSA-N	0	1	533.606	5.151	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2cccc(F)c2)nc1C	ZINC000100681045	554447204	/nfs/dbraw/zinc/44/72/04/554447204.db2.gz	BZMOVZCYIHMLOW-HSZRJFAPSA-N	0	1	550.608	5.895	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000100681231	554447601	/nfs/dbraw/zinc/44/76/01/554447601.db2.gz	SBRHTZVMHZQNEW-GDLZYMKVSA-N	0	1	547.648	6.671	50	30		KKEAMN
C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000100841037	554489442	/nfs/dbraw/zinc/48/94/42/554489442.db2.gz	VDUIMSYELFBSAE-COOPMVRXSA-N	0	1	512.060	5.496	50	30		KKEAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(Cc2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2	ZINC000100934015	554528300	/nfs/dbraw/zinc/52/83/00/554528300.db2.gz	KJRBPFYPYHGMJT-MHZLTWQESA-N	0	1	527.518	5.099	50	30		KKEAMN
Cc1ccc(/N=C2\S/C(=C\c3cc(Cl)cc(Br)c3O)C(=O)N2c2ccc(C)c(C)c2)cc1C	ZINC000101002137	554552684	/nfs/dbraw/zinc/55/26/84/554552684.db2.gz	XAIIYYIEJFWDKI-NOMMCYAHSA-N	0	1	541.898	7.850	50	30		KKEAMN
CCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1	ZINC000101025547	554563575	/nfs/dbraw/zinc/56/35/75/554563575.db2.gz	MKUNYHIAHIKVBM-OCBJUFRSSA-N	0	1	528.649	6.486	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccc2Cl)no1	ZINC000101062662	554570646	/nfs/dbraw/zinc/57/06/46/554570646.db2.gz	FMLJJOKGFCAXID-YDJIHCHBSA-N	0	1	515.791	6.014	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000101277890	554704200	/nfs/dbraw/zinc/70/42/00/554704200.db2.gz	DJZJPEFDAIQGNM-MRJHHRETSA-N	0	1	539.009	5.391	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000101278224	554704860	/nfs/dbraw/zinc/70/48/60/554704860.db2.gz	LJXBQFNXDZLCPG-PMLJWHLSSA-N	0	1	551.020	5.397	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000101293989	554710567	/nfs/dbraw/zinc/71/05/67/554710567.db2.gz	VMRHOCTWBOIHMY-ZHHPLPSFSA-N	0	1	504.514	5.766	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000101294339	554711262	/nfs/dbraw/zinc/71/12/62/554711262.db2.gz	QNCYSROSRFPRFL-IUKMQXEJSA-N	0	1	561.015	5.912	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000101297461	554712501	/nfs/dbraw/zinc/71/25/01/554712501.db2.gz	MJCYBSMFQWUOLZ-WGGXKBPPSA-N	0	1	526.633	5.122	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000101310207	554717077	/nfs/dbraw/zinc/71/70/77/554717077.db2.gz	CSDLTQKYWIWAJG-QBCYBHDASA-N	0	1	525.601	5.595	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC	ZINC000101310410	554717800	/nfs/dbraw/zinc/71/78/00/554717800.db2.gz	CUPJYDLIYNXPMD-IUKMQXEJSA-N	0	1	576.627	5.015	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000101316897	554724115	/nfs/dbraw/zinc/72/41/15/554724115.db2.gz	OXKIEFSDSZCXRX-KXDYMIPJSA-N	0	1	597.718	6.345	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000101316864	554724122	/nfs/dbraw/zinc/72/41/22/554724122.db2.gz	RUCPSDDNCMCQQJ-CJJGVWJISA-N	0	1	617.680	5.932	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000101338300	554735077	/nfs/dbraw/zinc/73/50/77/554735077.db2.gz	XIUZOTVCNRUJEB-NDEPHWFRSA-N	0	1	609.704	7.853	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000101344364	554736692	/nfs/dbraw/zinc/73/66/92/554736692.db2.gz	OUQVXBRTINMHGV-HHHXNRCGSA-N	0	1	597.693	7.223	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	ZINC000101672004	554825525	/nfs/dbraw/zinc/82/55/25/554825525.db2.gz	JMEZRQDRKQYTFK-DHUJRADRSA-N	0	1	601.187	9.041	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000102076483	554874567	/nfs/dbraw/zinc/87/45/67/554874567.db2.gz	SVXQBIOFEBWELY-ZLYDLHQSSA-N	0	1	501.579	5.650	50	30		KKEAMN
O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)C1=C(O)C(=Cc2ccco2)CCC1	ZINC000102159593	554890107	/nfs/dbraw/zinc/89/01/07/554890107.db2.gz	LNWFOZSQLNZJSJ-FINIEXEPSA-N	0	1	524.400	5.733	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OC(C)C	ZINC000102377668	554918221	/nfs/dbraw/zinc/91/82/21/554918221.db2.gz	BGKXHIJNDOOSLW-NPJIAGGLSA-N	0	1	547.479	5.233	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)c(OCC)c2)cc1C	ZINC000102432537	554927346	/nfs/dbraw/zinc/92/73/46/554927346.db2.gz	ALBFQCFCZDGHQE-UUALVTFQSA-N	0	1	516.594	5.295	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl	ZINC000102491408	554939352	/nfs/dbraw/zinc/93/93/52/554939352.db2.gz	PDJFTSHUCOSDGS-NPJIAGGLSA-N	0	1	508.018	5.571	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1	ZINC000102491289	554939413	/nfs/dbraw/zinc/93/94/13/554939413.db2.gz	OMSQQAVYGHMMCZ-ZHHPLPSFSA-N	0	1	534.565	5.478	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000102493150	554939623	/nfs/dbraw/zinc/93/96/23/554939623.db2.gz	LURQGGUXUZDHOQ-VIDUVWHZSA-N	0	1	545.635	6.253	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000102493639	554940133	/nfs/dbraw/zinc/94/01/33/554940133.db2.gz	GAPRIEXLSQFQNH-JBCNATCCSA-N	0	1	541.025	5.613	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000102502260	554943396	/nfs/dbraw/zinc/94/33/96/554943396.db2.gz	FGSYWPMYLMFQSO-JBCNATCCSA-N	0	1	539.382	5.833	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102502725	554943668	/nfs/dbraw/zinc/94/36/68/554943668.db2.gz	KWOQPAOUNJQGLP-QBCYBHDASA-N	0	1	527.617	5.819	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000102505238	554944239	/nfs/dbraw/zinc/94/42/39/554944239.db2.gz	QTMYWBGRMDIQDA-WGGXKBPPSA-N	0	1	527.661	6.330	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(OC)c3)sc2c1	ZINC000102509676	554946054	/nfs/dbraw/zinc/94/60/54/554946054.db2.gz	QFSJHZDVBZNSFV-ZHHPLPSFSA-N	0	1	504.539	5.469	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	ZINC000102516826	554948222	/nfs/dbraw/zinc/94/82/22/554948222.db2.gz	XACQNWLBRJEQQC-DFXXOVSGSA-N	0	1	535.556	5.499	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102520943	554949592	/nfs/dbraw/zinc/94/95/92/554949592.db2.gz	GTFPQGOJJCYBDT-MRJHHRETSA-N	0	1	521.938	5.493	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000102522327	554949956	/nfs/dbraw/zinc/94/99/56/554949956.db2.gz	HTCUVWXXKZJUKT-SBXHHDGASA-N	0	1	518.566	5.859	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000102526408	554952148	/nfs/dbraw/zinc/95/21/48/554952148.db2.gz	XGQYZFAVKRWBME-WOOAAIBNSA-N	0	1	547.416	5.488	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(OC)cc1	ZINC000102527277	554952570	/nfs/dbraw/zinc/95/25/70/554952570.db2.gz	XWTFMIMXKRFWTL-ZORLYMSLSA-N	0	1	612.649	9.361	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000102530767	554953890	/nfs/dbraw/zinc/95/38/90/554953890.db2.gz	HOZMRXMKEQBKPS-DFXXOVSGSA-N	0	1	506.558	5.813	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000102532421	554954403	/nfs/dbraw/zinc/95/44/03/554954403.db2.gz	HQUFSXRBMCOSMU-QZDFLZESSA-N	0	1	531.608	6.467	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000102532914	554954761	/nfs/dbraw/zinc/95/47/61/554954761.db2.gz	WAUFAOJREBAWGA-HOGKFDNTSA-N	0	1	506.967	5.593	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OC)c2)nc1C	ZINC000102536310	554955648	/nfs/dbraw/zinc/95/56/48/554955648.db2.gz	CMSIITJRWWGINW-UUALVTFQSA-N	0	1	614.676	5.856	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102539408	554956973	/nfs/dbraw/zinc/95/69/73/554956973.db2.gz	SOAYPZBZCUOISZ-AYWGPLOBSA-N	0	1	531.546	5.238	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OC)c2)nc1C	ZINC000102543280	554958190	/nfs/dbraw/zinc/95/81/90/554958190.db2.gz	YDPAUDRJMSVAMI-CJJGVWJISA-N	0	1	600.649	5.466	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000102545834	554959100	/nfs/dbraw/zinc/95/91/00/554959100.db2.gz	XDVKSIDDZUKSEI-XVTRYDTASA-N	0	1	620.152	6.832	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2	ZINC000102545756	554959124	/nfs/dbraw/zinc/95/91/24/554959124.db2.gz	DQHAMZZHUJPQHJ-HOGKFDNTSA-N	0	1	549.948	5.255	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000102547430	554959960	/nfs/dbraw/zinc/95/99/60/554959960.db2.gz	CECIJFWGVKLNEO-CJJGVWJISA-N	0	1	526.614	6.056	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1	ZINC000102551380	554961993	/nfs/dbraw/zinc/96/19/93/554961993.db2.gz	JJQBQLNPHNFHHE-GMBUILNLSA-N	0	1	516.550	5.394	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000102552151	554962542	/nfs/dbraw/zinc/96/25/42/554962542.db2.gz	WWZHAVGWAWFVKL-KFLIVHAJSA-N	0	1	577.633	6.057	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000102553972	554963494	/nfs/dbraw/zinc/96/34/94/554963494.db2.gz	IDKQRYIGJSPLJL-GSYBUTJLSA-N	0	1	556.659	5.995	50	30		KKEAMN
O=C(c1cccs1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccc(O)cc1	ZINC000102555901	554964388	/nfs/dbraw/zinc/96/43/88/554964388.db2.gz	MNZFGGHGPKVYSQ-LFVOPCPISA-N	0	1	507.618	5.224	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000102559884	554967237	/nfs/dbraw/zinc/96/72/37/554967237.db2.gz	PUNSBCOZYYCYSA-DFXXOVSGSA-N	0	1	597.048	7.140	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000102578766	554971693	/nfs/dbraw/zinc/97/16/93/554971693.db2.gz	NKIMSCYZXSSDFA-ZHHPLPSFSA-N	0	1	561.616	5.367	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc(O)c2)s1	ZINC000102584119	554972740	/nfs/dbraw/zinc/97/27/40/554972740.db2.gz	SZFWHPDKXNZWNQ-SBXHHDGASA-N	0	1	513.575	5.066	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1	ZINC000102586686	554973326	/nfs/dbraw/zinc/97/33/26/554973326.db2.gz	ATMHPCNGIXYPLZ-ONQGDUAMSA-N	0	1	585.638	5.222	50	30		KKEAMN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000102590449	554973802	/nfs/dbraw/zinc/97/38/02/554973802.db2.gz	CDTDKIKXMVTYGJ-CZNAVJSXSA-N	0	1	603.697	6.490	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102597709	554977147	/nfs/dbraw/zinc/97/71/47/554977147.db2.gz	SGNBHFLAHISLHQ-CZNAVJSXSA-N	0	1	601.706	6.017	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000102598572	554977395	/nfs/dbraw/zinc/97/73/95/554977395.db2.gz	FDKIWNXGOAIYNU-NPJIAGGLSA-N	0	1	622.124	6.280	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102598901	554977432	/nfs/dbraw/zinc/97/74/32/554977432.db2.gz	IGHWROWUBAYKIH-WRPQUVRJSA-N	0	1	594.089	6.573	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102600592	554977643	/nfs/dbraw/zinc/97/76/43/554977643.db2.gz	TYYVOUWXXDTTBI-TXTDGAROSA-N	0	1	629.760	6.797	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000102602816	554978186	/nfs/dbraw/zinc/97/81/86/554978186.db2.gz	PMEKKOHHBFCNGD-TXTDGAROSA-N	0	1	623.712	6.390	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)s2)cc1	ZINC000102605906	554978893	/nfs/dbraw/zinc/97/88/93/554978893.db2.gz	RYQRRBDWWULGDM-NXLSWJSLSA-N	0	1	592.098	6.190	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1OC	ZINC000102606164	554979036	/nfs/dbraw/zinc/97/90/36/554979036.db2.gz	WDEVPHKYIARATE-SANMLTNESA-N	0	1	557.628	5.534	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000102611945	554981729	/nfs/dbraw/zinc/98/17/29/554981729.db2.gz	WZZCXJPVAZUMLG-NPJIAGGLSA-N	0	1	605.669	5.766	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)c1	ZINC000102611783	554981757	/nfs/dbraw/zinc/98/17/57/554981757.db2.gz	YJDFPBYARIURRS-UUALVTFQSA-N	0	1	514.578	5.044	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC	ZINC000102618789	554985581	/nfs/dbraw/zinc/98/55/81/554985581.db2.gz	OPFKIJOFEDPWME-HOGKFDNTSA-N	0	1	517.887	6.002	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000102621257	554987083	/nfs/dbraw/zinc/98/70/83/554987083.db2.gz	RRJRXYUKRBHSHM-DFXXOVSGSA-N	0	1	629.760	6.715	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(O)c(OCC)c2)cc1C	ZINC000102622291	554987385	/nfs/dbraw/zinc/98/73/85/554987385.db2.gz	SRCRHELPRPYMBF-XMMPIXPASA-N	0	1	578.643	5.389	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000102640471	554990497	/nfs/dbraw/zinc/99/04/97/554990497.db2.gz	ASIDBJZYENHVAF-VXJPNWOUSA-N	0	1	545.632	6.049	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2c2nnc(C)s2)c1	ZINC000102644817	554991649	/nfs/dbraw/zinc/99/16/49/554991649.db2.gz	UAZDRRZARBCXJA-IUKMQXEJSA-N	0	1	527.602	5.369	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102651517	554996126	/nfs/dbraw/zinc/99/61/26/554996126.db2.gz	PGLWOUMMOXGRTE-JBODOUGHSA-N	0	1	581.477	6.952	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000102654022	554997375	/nfs/dbraw/zinc/99/73/75/554997375.db2.gz	MDRHBJYEDPEMCW-TXTDGAROSA-N	0	1	544.604	5.052	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000102653991	554997431	/nfs/dbraw/zinc/99/74/31/554997431.db2.gz	AFCBXSBZWIIEOU-YMCWBSDSSA-N	0	1	520.969	6.039	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000102653995	554997480	/nfs/dbraw/zinc/99/74/80/554997480.db2.gz	AFCBXSBZWIIEOU-XLNMUAQOSA-N	0	1	520.969	6.039	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC	ZINC000102654280	554997718	/nfs/dbraw/zinc/99/77/18/554997718.db2.gz	VBLZKRPHIIHGBV-SBXHHDGASA-N	0	1	595.029	5.373	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000102680771	555005229	/nfs/dbraw/zinc/00/52/29/555005229.db2.gz	JHQYXTFUCUPEGS-XTUFCYCQSA-N	0	1	609.704	7.072	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102710760	555016420	/nfs/dbraw/zinc/01/64/20/555016420.db2.gz	ODHRLFOLMJIUEQ-MRJHHRETSA-N	0	1	523.408	6.149	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000102712621	555017333	/nfs/dbraw/zinc/01/73/33/555017333.db2.gz	YQTHUKVBPRETLI-CZNAVJSXSA-N	0	1	540.443	6.339	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102717145	555019364	/nfs/dbraw/zinc/01/93/64/555019364.db2.gz	RCBYLTDSNHMKCM-YDJIHCHBSA-N	0	1	525.449	6.309	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000102734297	555024623	/nfs/dbraw/zinc/02/46/23/555024623.db2.gz	WYAYWFLWUQXKEH-DFXXOVSGSA-N	0	1	535.556	5.499	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000102735215	555024955	/nfs/dbraw/zinc/02/49/55/555024955.db2.gz	RSPJHUBADATCRH-ZCCBWQDPSA-N	0	1	545.635	6.253	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000102735224	555025019	/nfs/dbraw/zinc/02/50/19/555025019.db2.gz	SMVONXWOVPVOLR-VDBNUPDGSA-N	0	1	531.608	6.211	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102736970	555026438	/nfs/dbraw/zinc/02/64/38/555026438.db2.gz	TWAIIZIRKRLBJO-WGQAXHKASA-N	0	1	543.557	5.163	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102737015	555026723	/nfs/dbraw/zinc/02/67/23/555026723.db2.gz	HZBMRQDECDMLNG-JFTLGNCFSA-N	0	1	557.584	5.553	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000102770806	555058185	/nfs/dbraw/zinc/05/81/85/555058185.db2.gz	MYNPSRVRPGBLNR-RSERVXPISA-N	0	1	555.414	6.692	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1	ZINC000102771070	555059333	/nfs/dbraw/zinc/05/93/33/555059333.db2.gz	PVQYELIFUBRXEV-XLNMUAQOSA-N	0	1	520.969	6.039	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1	ZINC000102771109	555059657	/nfs/dbraw/zinc/05/96/57/555059657.db2.gz	KSIJWZJCDYZFEB-XLNMUAQOSA-N	0	1	520.969	6.039	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)s2)cc1	ZINC000102771302	555059982	/nfs/dbraw/zinc/05/99/82/555059982.db2.gz	BQXRHKGOCCDQNE-IIHDFJPDSA-N	0	1	590.126	6.742	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102771314	555060020	/nfs/dbraw/zinc/06/00/20/555060020.db2.gz	PBDLXELTLIFQJU-BBHOXHGRSA-N	0	1	594.089	6.573	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102771272	555060059	/nfs/dbraw/zinc/06/00/59/555060059.db2.gz	LMIYFPDDGYERDB-YMCWBSDSSA-N	0	1	537.424	6.553	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000102857006	555088331	/nfs/dbraw/zinc/08/83/31/555088331.db2.gz	MLMUPUUDKVEUJS-HOGKFDNTSA-N	0	1	541.412	6.247	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1	ZINC000102857209	555088558	/nfs/dbraw/zinc/08/85/58/555088558.db2.gz	QNGGJZCPXLKLLQ-KFLIVHAJSA-N	0	1	546.796	8.656	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)cc2)cc1Cl	ZINC000102860500	555090542	/nfs/dbraw/zinc/09/05/42/555090542.db2.gz	UHLJKHLCDYEBOF-HOGKFDNTSA-N	0	1	500.382	5.101	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102862025	555091923	/nfs/dbraw/zinc/09/19/23/555091923.db2.gz	QZMXZKSYYRESPX-CZNAVJSXSA-N	0	1	617.705	6.116	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Br)cc2)cc1Cl	ZINC000102862998	555092973	/nfs/dbraw/zinc/09/29/73/555092973.db2.gz	JXSWATBLUHLBDL-HOGKFDNTSA-N	0	1	544.833	5.210	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102863454	555093237	/nfs/dbraw/zinc/09/32/37/555093237.db2.gz	UAXWDUHMRAJIOH-MRJHHRETSA-N	0	1	539.407	5.985	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102863454	555093239	/nfs/dbraw/zinc/09/32/39/555093239.db2.gz	UAXWDUHMRAJIOH-MRJHHRETSA-N	0	1	539.407	5.985	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1	ZINC000102864726	555094488	/nfs/dbraw/zinc/09/44/88/555094488.db2.gz	XREPYOSVWPJKDS-ONQGDUAMSA-N	0	1	546.620	5.217	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Br)c2)nc1C	ZINC000102866553	555095747	/nfs/dbraw/zinc/09/57/47/555095747.db2.gz	KDEAEOWSAUDZPZ-GHNGSUTGSA-N	0	1	527.396	5.017	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000102867409	555096975	/nfs/dbraw/zinc/09/69/75/555096975.db2.gz	GOBMUBCWDWJZOW-YYXRCVDTSA-N	0	1	577.058	6.307	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000102867415	555096984	/nfs/dbraw/zinc/09/69/84/555096984.db2.gz	GOBMUBCWDWJZOW-FZIUWASMSA-N	0	1	577.058	6.307	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102869213	555098627	/nfs/dbraw/zinc/09/86/27/555098627.db2.gz	HWNZGBVQPKPOLO-MIOXIQPJSA-N	0	1	543.616	5.310	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(F)cc3)cc2)c1	ZINC000102871340	555101877	/nfs/dbraw/zinc/10/18/77/555101877.db2.gz	AUJMPQWYICKDBR-NXLSWJSLSA-N	0	1	500.551	5.796	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000102874704	555104840	/nfs/dbraw/zinc/10/48/40/555104840.db2.gz	MHBHRDXRXTVGNB-SBXHHDGASA-N	0	1	564.591	5.486	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000102877993	555107196	/nfs/dbraw/zinc/10/71/96/555107196.db2.gz	KSUDEAQMIUKZID-MNOIWJKESA-N	0	1	511.618	6.201	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000102877897	555107252	/nfs/dbraw/zinc/10/72/52/555107252.db2.gz	XOJOXGDJFTUDKS-NXLSWJSLSA-N	0	1	518.566	5.859	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000102878408	555107833	/nfs/dbraw/zinc/10/78/33/555107833.db2.gz	BEQDDVGCALKRQQ-GHNGSUTGSA-N	0	1	500.935	5.047	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102879906	555108939	/nfs/dbraw/zinc/10/89/39/555108939.db2.gz	BCIPCRVCFLIZSM-QJGFIUGVSA-N	0	1	527.617	5.472	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102881362	555110212	/nfs/dbraw/zinc/11/02/12/555110212.db2.gz	GBYVGOLEMFYEOZ-HOGKFDNTSA-N	0	1	501.520	5.230	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000102882907	555111399	/nfs/dbraw/zinc/11/13/99/555111399.db2.gz	QPUGTNJIYCUKMK-ZHHPLPSFSA-N	0	1	520.538	5.088	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000102884719	555114237	/nfs/dbraw/zinc/11/42/37/555114237.db2.gz	CBIMUKNYNYMTQB-IUKMQXEJSA-N	0	1	599.621	5.660	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000102884881	555114789	/nfs/dbraw/zinc/11/47/89/555114789.db2.gz	CHPGYZBORIXQJL-SBXHHDGASA-N	0	1	517.006	6.310	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000102884877	555114859	/nfs/dbraw/zinc/11/48/59/555114859.db2.gz	CHPGYZBORIXQJL-NXLSWJSLSA-N	0	1	517.006	6.310	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000102885199	555115092	/nfs/dbraw/zinc/11/50/92/555115092.db2.gz	ZGMHIIHZQHWRAY-MIOXIQPJSA-N	0	1	527.617	5.691	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccc(O)cc1)c1ccccc1	ZINC000102885067	555115148	/nfs/dbraw/zinc/11/51/48/555115148.db2.gz	YFKGHZHUZYLWMN-MRJHHRETSA-N	0	1	501.589	5.162	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccc(O)cc1)c1ccccc1	ZINC000102885065	555115160	/nfs/dbraw/zinc/11/51/60/555115160.db2.gz	YFKGHZHUZYLWMN-JBCNATCCSA-N	0	1	501.589	5.162	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000102885599	555115799	/nfs/dbraw/zinc/11/57/99/555115799.db2.gz	VEVBPCRYYSRXRY-UUALVTFQSA-N	0	1	514.578	5.044	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102886066	555116313	/nfs/dbraw/zinc/11/63/13/555116313.db2.gz	LRAVKVKLASRJQM-JRPVAJNPSA-N	0	1	591.483	6.407	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102886061	555116362	/nfs/dbraw/zinc/11/63/62/555116362.db2.gz	LRAVKVKLASRJQM-CGKJMNDRSA-N	0	1	591.483	6.407	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000102886511	555117032	/nfs/dbraw/zinc/11/70/32/555117032.db2.gz	ZQXUWSYQDGMJKD-KNZGKXHUSA-N	0	1	561.015	5.686	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccs3)sc2c1	ZINC000102887277	555118436	/nfs/dbraw/zinc/11/84/36/555118436.db2.gz	YHCSAOMNLDRWJU-HOGKFDNTSA-N	0	1	520.588	5.154	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000102887451	555119263	/nfs/dbraw/zinc/11/92/63/555119263.db2.gz	ZMONTDBKYYBJCT-DFXXOVSGSA-N	0	1	547.604	5.640	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)cc1OCC	ZINC000102887825	555120234	/nfs/dbraw/zinc/12/02/34/555120234.db2.gz	KMRDKHVYUPLKNA-YREDKMEYSA-N	0	1	537.653	5.436	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Br)cn3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000102887957	555120505	/nfs/dbraw/zinc/12/05/05/555120505.db2.gz	SDMGYVAKCMSBID-JBCNATCCSA-N	0	1	558.226	5.632	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000102888629	555121749	/nfs/dbraw/zinc/12/17/49/555121749.db2.gz	YBLJCKVYHLNPIU-FZIYRNTBSA-N	0	1	617.724	6.708	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000102888849	555122405	/nfs/dbraw/zinc/12/24/05/555122405.db2.gz	OTRCYTZUMXLPFG-CGKJMNDRSA-N	0	1	547.032	6.298	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000102888852	555122465	/nfs/dbraw/zinc/12/24/65/555122465.db2.gz	OTRCYTZUMXLPFG-JFTLGNCFSA-N	0	1	547.032	6.298	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000102890227	555125283	/nfs/dbraw/zinc/12/52/83/555125283.db2.gz	HOXAEDYQXMPAGZ-SBXHHDGASA-N	0	1	527.558	5.565	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000102890864	555126551	/nfs/dbraw/zinc/12/65/51/555126551.db2.gz	FEWVCGGDLQKRFT-TXTDGAROSA-N	0	1	513.590	5.301	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102892717	555129043	/nfs/dbraw/zinc/12/90/43/555129043.db2.gz	YXHABXSFOQDFLG-WGQAXHKASA-N	0	1	544.560	5.172	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000102893491	555131046	/nfs/dbraw/zinc/13/10/46/555131046.db2.gz	XRBQOEPPYRKIIV-TVKWNQJWSA-N	0	1	573.690	5.686	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCC)c(OC)c3)sc2c1	ZINC000102893630	555131371	/nfs/dbraw/zinc/13/13/71/555131371.db2.gz	HBLHPJWNWZFGQP-ONQGDUAMSA-N	0	1	588.638	5.500	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1	ZINC000102894000	555132011	/nfs/dbraw/zinc/13/20/11/555132011.db2.gz	KCMYPNPNDFSGBE-ZZIWUOEGSA-N	0	1	567.450	6.617	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1	ZINC000102895208	555133742	/nfs/dbraw/zinc/13/37/42/555133742.db2.gz	WUFNMBKRGDBSRU-YFVVEFNMSA-N	0	1	512.606	5.596	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O	ZINC000102897426	555137888	/nfs/dbraw/zinc/13/78/88/555137888.db2.gz	HUHSWABZFOOHEP-QDMOOSCLSA-N	0	1	549.004	5.614	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102898256	555138450	/nfs/dbraw/zinc/13/84/50/555138450.db2.gz	HWYPPSNSBGXLNK-KNZGKXHUSA-N	0	1	533.005	5.908	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OC	ZINC000102899308	555138895	/nfs/dbraw/zinc/13/88/95/555138895.db2.gz	MFWFIHNKYWZJBQ-MNOIWJKESA-N	0	1	559.663	5.296	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Br)c2)ccc1OCc1ccccc1	ZINC000102926470	555150922	/nfs/dbraw/zinc/15/09/22/555150922.db2.gz	SZVODDYMAZPMIZ-CJJGVWJISA-N	0	1	549.465	5.320	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCOC)cc1OCC	ZINC000102926575	555151129	/nfs/dbraw/zinc/15/11/29/555151129.db2.gz	SWLUDBSUGORAAX-KXDYMIPJSA-N	0	1	523.626	5.046	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000102926537	555151142	/nfs/dbraw/zinc/15/11/42/555151142.db2.gz	MWUXJROOSSNIBB-AYWGPLOBSA-N	0	1	520.994	5.983	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000102926645	555151145	/nfs/dbraw/zinc/15/11/45/555151145.db2.gz	HRKRZZSUBZGERU-WGGXKBPPSA-N	0	1	595.523	6.025	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc(Br)c1O	ZINC000102929283	555154992	/nfs/dbraw/zinc/15/49/92/555154992.db2.gz	FRPLFMHWVWRSEH-WBMUNJTESA-N	0	1	564.432	5.151	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	ZINC000102929499	555155283	/nfs/dbraw/zinc/15/52/83/555155283.db2.gz	PFKLJEKUFRRYAV-LFVOPCPISA-N	0	1	514.719	5.032	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102929720	555155816	/nfs/dbraw/zinc/15/58/16/555155816.db2.gz	XNTVMBNJIBPMDK-HOGKFDNTSA-N	0	1	508.958	6.114	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000102930905	555157970	/nfs/dbraw/zinc/15/79/70/555157970.db2.gz	QVCNREHNDZGBBM-SZYGQJGOSA-N	0	1	562.666	6.350	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000102930905	555157973	/nfs/dbraw/zinc/15/79/73/555157973.db2.gz	QVCNREHNDZGBBM-SZYGQJGOSA-N	0	1	562.666	6.350	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102931064	555158346	/nfs/dbraw/zinc/15/83/46/555158346.db2.gz	HBZDRMVNWJGSGK-AYWGPLOBSA-N	0	1	520.538	5.088	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102931333	555158751	/nfs/dbraw/zinc/15/87/51/555158751.db2.gz	QXSKHKRNEYATMD-MOBKVPTQSA-N	0	1	535.965	5.883	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)cc1OCC	ZINC000102932513	555160045	/nfs/dbraw/zinc/16/00/45/555160045.db2.gz	PIXXAZXRDKIKOQ-NGAXIMOQSA-N	0	1	523.626	5.046	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)nc1C	ZINC000102935127	555162509	/nfs/dbraw/zinc/16/25/09/555162509.db2.gz	AAHFADSSALNAJP-YDJIHCHBSA-N	0	1	510.999	5.641	50	30		KKEAMN
CN(CCS(=O)(=O)OCC(F)(F)F)c1ccc(/C=C2\CCC(C(=S)Nc3ccccc3)=C2N2CCCCC2)cc1	ZINC000102943182	555170748	/nfs/dbraw/zinc/17/07/48/555170748.db2.gz	ICDXPAMJYRLLQL-BSYVCWPDSA-N	0	1	593.737	6.388	50	30		KKEAMN
CCCCCCCCC(=O)N(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)CC(C)C	ZINC000102995822	555195172	/nfs/dbraw/zinc/19/51/72/555195172.db2.gz	VRPVFINSQRHOEZ-UHFFFAOYSA-N	0	1	541.800	6.839	50	30		KKEAMN
CCCCCCCCCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C1CC1	ZINC000102997571	555197020	/nfs/dbraw/zinc/19/70/20/555197020.db2.gz	UDFCKYRYNUDOOI-UHFFFAOYSA-N	0	1	511.730	6.093	50	30		KKEAMN
CCCCCCCCCCCC(=O)N1CCN(c2nc(CN(CC)Cc3ccccc3)cc(=O)[nH]2)CC1	ZINC000103127170	555295327	/nfs/dbraw/zinc/29/53/27/555295327.db2.gz	BQQONAXUDOWJPH-UHFFFAOYSA-N	0	1	509.739	5.362	50	30		KKEAMN
COc1ccc(NC2=C(Sc3cccc(NS(=O)(=O)c4ccccc4C#N)c3)C(=O)N(c3ccccc3)C2=O)cc1	ZINC000103410271	555396381	/nfs/dbraw/zinc/39/63/81/555396381.db2.gz	CVEGJBASDLPKHM-UHFFFAOYSA-N	0	1	582.663	5.357	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000150351861	571462207	/nfs/dbraw/zinc/46/22/07/571462207.db2.gz	LLXAYXNOQHEGOJ-BQTHQZBGSA-N	0	1	653.080	8.236	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1	ZINC000150352553	571462577	/nfs/dbraw/zinc/46/25/77/571462577.db2.gz	ZHHAAYTUJBWLCG-YCPBAFNGSA-N	0	1	635.026	7.467	50	30		KKEAMN
Cc1c(NC(=O)CSc2nc3ccc(/N=C/c4cc(I)cc(I)c4O)cc3s2)c(=O)n(-c2ccccc2)n1C	ZINC000150358687	571463655	/nfs/dbraw/zinc/46/36/55/571463655.db2.gz	AQNWJVYRPADMFO-VVEOGCPPSA-N	0	1	781.439	6.490	50	30		KKEAMN
Cc1cc(Br)c(Nc2nc(=NN=Cc3ccc(Br)c([N+](=O)[O-])c3)nc(N3CCOCC3)[nH]2)cc1Cl	ZINC000150384685	571468310	/nfs/dbraw/zinc/46/83/10/571468310.db2.gz	RCHZZCZJXWPCTI-GATIEOLUSA-N	0	1	626.697	5.293	50	30		KKEAMN
CCCC(=O)C1=C(Nc2ccc(-c3ccc(NC4=C(C(=O)CCC)C(O)=C(C(=O)OC)C(C)(C)C4)cc3)cc2)CC(C)(C)[C@@H](C(=O)OC)C1=O	ZINC000150415242	571485310	/nfs/dbraw/zinc/48/53/10/571485310.db2.gz	ZGAUELUAJGRJHL-KKLWWLSJSA-N	0	1	684.830	7.000	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150417234	571486066	/nfs/dbraw/zinc/48/60/66/571486066.db2.gz	HCAHEUHRPNCUGH-VXJPNWOUSA-N	0	1	643.787	6.886	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150417223	571486211	/nfs/dbraw/zinc/48/62/11/571486211.db2.gz	HCAHEUHRPNCUGH-QBCYBHDASA-N	0	1	643.787	6.886	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150418403	571486461	/nfs/dbraw/zinc/48/64/61/571486461.db2.gz	JCTKKPYJMAPTQD-WKUSSTJHSA-N	0	1	647.750	6.717	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C	ZINC000150422208	571488077	/nfs/dbraw/zinc/48/80/77/571488077.db2.gz	VESWORFXTAHDFI-NNZNMFTDSA-N	0	1	706.286	8.257	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C	ZINC000150422211	571488300	/nfs/dbraw/zinc/48/83/00/571488300.db2.gz	VESWORFXTAHDFI-JNYBUSFRSA-N	0	1	706.286	8.257	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C	ZINC000150424758	571489383	/nfs/dbraw/zinc/48/93/83/571489383.db2.gz	GBPUHCCXKPGCJX-XXAHXYPMSA-N	0	1	740.731	8.911	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000150426371	571490627	/nfs/dbraw/zinc/49/06/27/571490627.db2.gz	RSWKTUBHJPCSQE-SBXHHDGASA-N	0	1	636.107	5.668	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000150426670	571490992	/nfs/dbraw/zinc/49/09/92/571490992.db2.gz	YOZWDEBXMQWRAT-TXTDGAROSA-N	0	1	651.722	6.168	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000150435337	571495285	/nfs/dbraw/zinc/49/52/85/571495285.db2.gz	HKPVEOLRDSIAQY-SSEXGKCCSA-N	0	1	640.758	8.018	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1	ZINC000150435586	571495536	/nfs/dbraw/zinc/49/55/36/571495536.db2.gz	PMSLSEYZZZLOFU-BPBRYWPMSA-N	0	1	741.891	8.911	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1	ZINC000150435595	571495611	/nfs/dbraw/zinc/49/56/11/571495611.db2.gz	PMSLSEYZZZLOFU-PUPPBXBUSA-N	0	1	741.891	8.911	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1	ZINC000150435784	571495827	/nfs/dbraw/zinc/49/58/27/571495827.db2.gz	JMKZGBZYOJWNMA-SZYGQJGOSA-N	0	1	728.248	7.859	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1	ZINC000150439732	571497661	/nfs/dbraw/zinc/49/76/61/571497661.db2.gz	UCYRZWYTLNYIBE-HUVRIODYSA-N	0	1	691.831	7.758	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1	ZINC000150440084	571497824	/nfs/dbraw/zinc/49/78/24/571497824.db2.gz	UYEXYXJSTSWRPN-SZYGQJGOSA-N	0	1	711.793	7.345	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150445579	571500587	/nfs/dbraw/zinc/50/05/87/571500587.db2.gz	WLDZAZUWZKYCOL-GYBOJBDRSA-N	0	1	647.778	7.359	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150446808	571501117	/nfs/dbraw/zinc/50/11/17/571501117.db2.gz	KHBYPCXXTNRGHC-DZTJFIFISA-N	0	1	648.206	7.612	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150446817	571501146	/nfs/dbraw/zinc/50/11/46/571501146.db2.gz	KHBYPCXXTNRGHC-LOOKCOSASA-N	0	1	648.206	7.612	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000150448820	571501864	/nfs/dbraw/zinc/50/18/64/571501864.db2.gz	FNNBOMBCALBAGJ-MIOXIQPJSA-N	0	1	640.714	6.325	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000150456355	571504496	/nfs/dbraw/zinc/50/44/96/571504496.db2.gz	HEGBMJYEKCELLC-RJIUIVJKSA-N	0	1	672.759	8.100	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000150457516	571504953	/nfs/dbraw/zinc/50/49/53/571504953.db2.gz	NRFLOGLIMJYIIX-QJGFIUGVSA-N	0	1	645.778	7.488	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150457544	571505022	/nfs/dbraw/zinc/50/50/22/571505022.db2.gz	ZXSIOKUULPFQPW-QMNXYOJKSA-N	0	1	675.804	7.497	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150457975	571505179	/nfs/dbraw/zinc/50/51/79/571505179.db2.gz	LCLFXFGTOJEZFG-DNNDWWBDSA-N	0	1	643.787	6.968	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150457912	571505341	/nfs/dbraw/zinc/50/53/41/571505341.db2.gz	OYVLFCJSEYMCOG-JNYBUSFRSA-N	0	1	665.768	7.498	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000150460311	571505869	/nfs/dbraw/zinc/50/58/69/571505869.db2.gz	PSQUSMYICFTOTI-QMNXYOJKSA-N	0	1	692.259	8.011	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000150462754	571506755	/nfs/dbraw/zinc/50/67/55/571506755.db2.gz	MBJLCGGBLNTLAV-NNZNMFTDSA-N	0	1	706.286	8.401	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000150463191	571507053	/nfs/dbraw/zinc/50/70/53/571507053.db2.gz	IJVXLJJBEOTLQE-QBCYBHDASA-N	0	1	645.778	7.344	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000150464015	571507702	/nfs/dbraw/zinc/50/77/02/571507702.db2.gz	DXVHJJDRGKOWGR-HOTYXSFQSA-N	0	1	623.481	5.731	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000150466153	571507950	/nfs/dbraw/zinc/50/79/50/571507950.db2.gz	MXAJRSUWDWHJCK-DNNDWWBDSA-N	0	1	645.778	7.488	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150467662	571508248	/nfs/dbraw/zinc/50/82/48/571508248.db2.gz	QTWKMCUUIUGIDG-WGGXKBPPSA-N	0	1	637.739	6.780	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150469635	571508754	/nfs/dbraw/zinc/50/87/54/571508754.db2.gz	YZGVDIIXQZDQFR-HWTUVFLMSA-N	0	1	676.216	7.397	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150469569	571508780	/nfs/dbraw/zinc/50/87/80/571508780.db2.gz	NLGCCBHKMREHBL-CZNAVJSXSA-N	0	1	634.135	6.446	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000150469954	571509023	/nfs/dbraw/zinc/50/90/23/571509023.db2.gz	KQNDPJWQAGXGHK-MIOXIQPJSA-N	0	1	694.231	7.459	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150471577	571509547	/nfs/dbraw/zinc/50/95/47/571509547.db2.gz	VETUPAJPKBPDAA-DFXXOVSGSA-N	0	1	664.205	7.306	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000150471599	571509589	/nfs/dbraw/zinc/50/95/89/571509589.db2.gz	ZBTBGLGJEGZDSE-FLJNSMSWSA-N	0	1	710.661	8.050	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150472769	571510200	/nfs/dbraw/zinc/51/02/00/571510200.db2.gz	QQRZUGDTNAWCKG-DFXXOVSGSA-N	0	1	678.188	6.845	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150475146	571510681	/nfs/dbraw/zinc/51/06/81/571510681.db2.gz	VANUDINXPKNXCS-WGGXKBPPSA-N	0	1	657.770	6.500	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150478130	571511420	/nfs/dbraw/zinc/51/14/20/571511420.db2.gz	RKCLOGHTGKCVHK-TXTDGAROSA-N	0	1	680.204	7.069	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000150481069	571512256	/nfs/dbraw/zinc/51/22/56/571512256.db2.gz	UDOIESNLNHXRJU-RJIUIVJKSA-N	0	1	709.846	7.959	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150481372	571512575	/nfs/dbraw/zinc/51/25/75/571512575.db2.gz	IKCPSXMSZSRKNV-QBTYMPIYSA-N	0	1	668.624	7.876	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150484895	571515469	/nfs/dbraw/zinc/51/54/69/571515469.db2.gz	JSDQHWDQKBHQLC-ZORLYMSLSA-N	0	1	687.840	7.504	50	30		KKEAMN
Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1cccnc1	ZINC000150485885	571516174	/nfs/dbraw/zinc/51/61/74/571516174.db2.gz	XCTDZLDNGKNUOA-AREMUKBSSA-N	0	1	633.780	7.593	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000150486362	571516279	/nfs/dbraw/zinc/51/62/79/571516279.db2.gz	WGGTVAGDGFMINY-NXLSVDECSA-N	0	1	726.704	8.665	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150486749	571516530	/nfs/dbraw/zinc/51/65/30/571516530.db2.gz	OFJQFMSNVJIRTN-SMOAUKQDSA-N	0	1	716.668	8.666	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150488562	571516912	/nfs/dbraw/zinc/51/69/12/571516912.db2.gz	YYJBDMLLDXSEMQ-VEZPTTSMSA-N	0	1	673.813	7.196	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150488563	571516926	/nfs/dbraw/zinc/51/69/26/571516926.db2.gz	YYJBDMLLDXSEMQ-QMMFTLRZSA-N	0	1	673.813	7.196	50	30		KKEAMN
CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)CO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000032839004	571744811	/nfs/dbraw/zinc/74/48/11/571744811.db2.gz	IQGPMZRCLCCXAG-RUZDIDTESA-O	0	1	524.700	5.992	50	30	endogenous,in-man	KKEAMN
CCOC(=O)c1c(N=Cc2cc(I)cc(I)c2O)sc2c1CCCC2	ZINC000252623120	572269853	/nfs/dbraw/zinc/26/98/53/572269853.db2.gz	OKORXSZPFRIHPP-UHFFFAOYSA-N	0	1	581.213	5.469	50	30		KKEAMN
Oc1c(I)cc(Br)cc1C=Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1	ZINC000252588388	572266379	/nfs/dbraw/zinc/26/63/79/572266379.db2.gz	ABUZXYCEOUQAHF-UHFFFAOYSA-N	0	1	553.581	6.972	50	30		KKEAMN
CC(C)(C)c1ccc(-c2nc3cc(N=Cc4cc(Cl)cc(I)c4O)ccc3o2)cc1	ZINC000252599409	572267287	/nfs/dbraw/zinc/26/72/87/572267287.db2.gz	DINOOIGUMANSKL-UHFFFAOYSA-N	0	1	530.793	7.507	50	30		KKEAMN
Cc1cccc(-c2nc3cc(N=Cc4cc(I)cc(I)c4O)ccc3o2)c1	ZINC000252618109	572269162	/nfs/dbraw/zinc/26/91/62/572269162.db2.gz	LDWQYRLZPDPJMR-UHFFFAOYSA-N	0	1	580.163	6.469	50	30		KKEAMN
O=[N+]([O-])c1cc(CN=Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c(Cl)cc1Cl	ZINC000252624830	572270281	/nfs/dbraw/zinc/27/02/81/572270281.db2.gz	PWDMVGJKHVRGIA-UHFFFAOYSA-N	0	1	557.320	5.132	50	30		KKEAMN
CCOc1ccc(-c2nc3cc(N=Cc4cc(Br)cc(Br)c4O)ccc3o2)cc1	ZINC000252625092	572270382	/nfs/dbraw/zinc/27/03/82/572270382.db2.gz	QDAYYTQMTDFZOG-UHFFFAOYSA-N	0	1	516.189	6.875	50	30		KKEAMN
C[C@@]1(c2cccc([N+](=O)[O-])c2)Nc2ccccc2C(=O)N1N=Cc1cc(Br)cc(Br)c1O	ZINC000252627551	572270783	/nfs/dbraw/zinc/27/07/83/572270783.db2.gz	RWVAAUQAHSQQJX-JOCHJYFZSA-N	0	1	560.202	5.600	50	30		KKEAMN
CCN1C(=O)/C(=C\c2cc(Br)cc(Br)c2O)SC1=Nc1ccc(C(=O)OC)cc1	ZINC000252634678	572271748	/nfs/dbraw/zinc/27/17/48/572271748.db2.gz	WQLRKOBPAFFREH-KZATZCNQSA-N	0	1	540.233	5.328	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3c(OC(C)C)ccc4ccccc43)C1=O)O2	ZINC000253412362	572287805	/nfs/dbraw/zinc/28/78/05/572287805.db2.gz	QTFGAUXOWXANMG-PBSTWTITSA-N	0	1	541.600	5.299	50	30		KKEAMN
C=C(C)COc1c(OC)cccc1[C@@H]1CC(=O)Oc2cc(=O)c3c(O)c(-c4ccc(Cl)cc4)coc-3c21	ZINC000253412386	572288092	/nfs/dbraw/zinc/28/80/92/572288092.db2.gz	QVQQZFDSZCCDHR-IBGZPJMESA-N	0	1	518.949	6.224	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@@H]3CCCc4c5cccc(Cl)c5[nH]c43)C1=O)O2	ZINC000263584745	1071122941	/nfs/dbraw/zinc/12/29/41/1071122941.db2.gz	ABURYXLXMAEFFA-RCNHOCHMSA-N	0	1	547.007	5.371	50	30		KKEAMN
CCCCCCCCOc1ccc([C@H](CC(=O)OC)c2c(O)cc(C)n(CCc3cnc[nH]3)c2=O)cc1	ZINC000604404014	1071268473	/nfs/dbraw/zinc/26/84/73/1071268473.db2.gz	IAMJDHHUPNTAFI-VWLOTQADSA-N	0	1	509.647	5.262	50	30		KKEAMN
C=C(C)COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(OC)c(O)c5)oc-4c32)ccc1OC	ZINC000217797829	1071293097	/nfs/dbraw/zinc/29/30/97/1071293097.db2.gz	VXDYVOMHJKDTSM-GOSISDBHSA-N	0	1	530.529	5.284	50	30	biogenic	KKEAMN
CCCCCCCCCCCCCCC1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)NC1=O	ZINC000245263839	1072830178	/nfs/dbraw/zinc/83/01/78/1072830178.db2.gz	BEFRPVGUXAFEOW-NDEPHWFRSA-N	0	1	640.699	8.774	50	30		KKEAMN
CCCCCCCCCCC1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)NC1=O	ZINC000245284013	1072831123	/nfs/dbraw/zinc/83/11/23/1072831123.db2.gz	PRZAVOWQMAAVJS-QHCPKHFHSA-N	0	1	673.493	7.432	50	30		KKEAMN
CCCCCCCCCCC1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)NC1=O	ZINC000245284252	1072831149	/nfs/dbraw/zinc/83/11/49/1072831149.db2.gz	QXMHNIJKLPFSGG-XMMPIXPASA-N	0	1	550.146	6.560	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3C)[C@H]2c2ccc(OC)cc2)nc1C	ZINC000000631113	551505106	/nfs/dbraw/zinc/50/51/06/551505106.db2.gz	FNQCZVSDSCBUES-JOCHJYFZSA-N	0	1	536.606	5.127	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C	ZINC000000635417	551506076	/nfs/dbraw/zinc/50/60/76/551506076.db2.gz	VCTUIZWVNCAULB-HXUWFJFHSA-N	0	1	526.998	5.382	50	30		KKEAMN
CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1	ZINC000000672231	551519487	/nfs/dbraw/zinc/51/94/87/551519487.db2.gz	IJBJLRXIGQWDIZ-SFRLIIPVSA-N	0	1	514.625	7.186	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3cccc([N+](=O)[O-])c3)C2)cc1OC	ZINC000000674199	551520878	/nfs/dbraw/zinc/52/08/78/551520878.db2.gz	FJUMWPFHGOCJKP-AFJIDDCJSA-N	0	1	513.550	5.533	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3cccc([N+](=O)[O-])c3)C2)cc1OC	ZINC000000674201	551520953	/nfs/dbraw/zinc/52/09/53/551520953.db2.gz	FJUMWPFHGOCJKP-WRONEBCDSA-N	0	1	513.550	5.533	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1	ZINC000000702743	551529719	/nfs/dbraw/zinc/52/97/19/551529719.db2.gz	LSHVXYGVMNPRSV-AHWVRZQESA-N	0	1	503.982	5.676	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(OCc2ccccc2)cc1	ZINC000000703082	551530264	/nfs/dbraw/zinc/53/02/64/551530264.db2.gz	MIBIHBPXAFUHKK-MUUNZHRXSA-N	0	1	523.541	5.408	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000000703174	551530676	/nfs/dbraw/zinc/53/06/76/551530676.db2.gz	BCLDSGAKQICUID-URAOTHONSA-N	0	1	532.596	5.763	50	30		KKEAMN
COc1cc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc(OC)c1OC	ZINC000000985919	551592488	/nfs/dbraw/zinc/59/24/88/551592488.db2.gz	UCEDUESVBAWLLV-HMILPKGGSA-N	0	1	566.576	6.484	50	30		KKEAMN
N#Cc1c(OCC(F)(F)F)ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccccc3)cc2)c1OCC(F)(F)F	ZINC000001040842	551598803	/nfs/dbraw/zinc/59/88/03/551598803.db2.gz	WQZMBXATLXNYFR-UHFFFAOYSA-N	0	1	594.511	5.074	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000001055476	551600054	/nfs/dbraw/zinc/60/00/54/551600054.db2.gz	UZUHWNUJOCJPJO-LJQANCHMSA-N	0	1	514.719	5.189	50	30		KKEAMN
COc1cc([C@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc(OC)c1OC	ZINC000001251407	551632575	/nfs/dbraw/zinc/63/25/75/551632575.db2.gz	ZMMCEEQHVPVEIL-KCEHZKJRSA-N	0	1	554.687	6.930	50	30		KKEAMN
CCOc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)C(F)(F)F	ZINC000001261121	551633615	/nfs/dbraw/zinc/63/36/15/551633615.db2.gz	JWHPNEHFOAMISW-GDJIYFAZSA-N	0	1	536.550	6.557	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1	ZINC000001301428	551638198	/nfs/dbraw/zinc/63/81/98/551638198.db2.gz	ZYWGIEIWAWOAQJ-XJFCNFDWSA-N	0	1	548.664	7.058	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000001411040	551664745	/nfs/dbraw/zinc/66/47/45/551664745.db2.gz	OHFFRYBPKRXGDP-AREMUKBSSA-N	0	1	545.433	6.150	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@@H]3c2cccs2)cc1OC	ZINC000001413005	551665107	/nfs/dbraw/zinc/66/51/07/551665107.db2.gz	VWOKZVKSFMFPDN-SONOPUAISA-N	0	1	542.682	7.041	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)C(F)(F)F)[C@@H]3c2cccs2)cc1	ZINC000001413002	551665206	/nfs/dbraw/zinc/66/52/06/551665206.db2.gz	PURXEQFBZQESMW-SSOJOUAXSA-N	0	1	512.553	6.528	50	30		KKEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(F)c1	ZINC000001413421	551665482	/nfs/dbraw/zinc/66/54/82/551665482.db2.gz	CVPUINFFDBTLKT-XMMPIXPASA-N	0	1	519.370	5.891	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1OC	ZINC000001413475	551665874	/nfs/dbraw/zinc/66/58/74/551665874.db2.gz	WDTHGDMPQDLKRI-AREMUKBSSA-N	0	1	516.981	5.660	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccc(Br)c2)cc1	ZINC000001413534	551665966	/nfs/dbraw/zinc/66/59/66/551665966.db2.gz	DRHSNNFCJKLNPB-VWLOTQADSA-N	0	1	531.406	5.760	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000001446501	551674174	/nfs/dbraw/zinc/67/41/74/551674174.db2.gz	AQQWBWMXKIPTTH-XMMPIXPASA-N	0	1	540.597	6.203	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000001446917	551674335	/nfs/dbraw/zinc/67/43/35/551674335.db2.gz	BVFFHAARAWYPLJ-JOCHJYFZSA-N	0	1	538.528	5.383	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Br)c2)cc1Cl	ZINC000001449446	551674943	/nfs/dbraw/zinc/67/49/43/551674943.db2.gz	ODSXENMGYSKLGG-QFIPXVFZSA-N	0	1	544.833	5.366	50	30		KKEAMN
COc1cccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1	ZINC000001453806	551676337	/nfs/dbraw/zinc/67/63/37/551676337.db2.gz	KTRGCDSVAHFQKF-WOPWWUTRSA-N	0	1	590.676	6.935	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1OC	ZINC000001458997	551677661	/nfs/dbraw/zinc/67/76/61/551677661.db2.gz	MFXGBKBDLNCGPF-WKRVVKTRSA-N	0	1	520.585	6.511	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)c(C)c1	ZINC000001467607	551680184	/nfs/dbraw/zinc/68/01/84/551680184.db2.gz	IHCUQZRWYQBIEZ-HSZRJFAPSA-N	0	1	507.384	5.330	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000001474133	551680691	/nfs/dbraw/zinc/68/06/91/551680691.db2.gz	MRRGQTIXIJSYGY-JOCHJYFZSA-N	0	1	530.558	5.796	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)o1	ZINC000001479965	551681484	/nfs/dbraw/zinc/68/14/84/551681484.db2.gz	NOHBGVSDNYXYFL-NRFANRHFSA-N	0	1	523.408	6.360	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000001480873	551682274	/nfs/dbraw/zinc/68/22/74/551682274.db2.gz	QGSXRWRUSZLVIM-XMMPIXPASA-N	0	1	564.591	5.643	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000001481478	551682703	/nfs/dbraw/zinc/68/27/03/551682703.db2.gz	XJCKOWHHAKMGTF-HSZRJFAPSA-N	0	1	550.564	5.253	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000001773165	551696946	/nfs/dbraw/zinc/69/69/46/551696946.db2.gz	OQDXHXHTRSTLSH-URAOTHONSA-N	0	1	532.596	5.763	50	30		KKEAMN
CCOc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(Br)c4O)ccc3o2)cc1	ZINC000001885025	551725272	/nfs/dbraw/zinc/72/52/72/551725272.db2.gz	QDAYYTQMTDFZOG-BRJLIKDPSA-N	0	1	516.189	6.875	50	30		KKEAMN
CC(C)(C)c1ccc2oc(-c3ccc(/N=C/c4cc(Br)cc(Br)c4O)cc3)nc2c1	ZINC000001921050	551734571	/nfs/dbraw/zinc/73/45/71/551734571.db2.gz	KTOUESKUZITOFM-UVHMKAGCSA-N	0	1	528.244	7.774	50	30		KKEAMN
COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cc(I)ccc4Cl)nc3c2)c1O	ZINC000002071556	551747359	/nfs/dbraw/zinc/74/73/59/551747359.db2.gz	KFXPFSVXUCWTDI-YSURURNPSA-N	0	1	549.708	6.126	50	30		KKEAMN
C=CCc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl	ZINC000002080552	551751289	/nfs/dbraw/zinc/75/12/89/551751289.db2.gz	AZCKAXLTSWFKAM-UUYOSTAYSA-N	0	1	571.457	6.280	50	30		KKEAMN
Cc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(I)c4O)ccc3o2)cc1	ZINC000002166248	551781781	/nfs/dbraw/zinc/78/17/81/551781781.db2.gz	RYWIYRZJIUSPBJ-BHGWPJFGSA-N	0	1	533.163	6.627	50	30		KKEAMN
Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000002173460	551782528	/nfs/dbraw/zinc/78/25/28/551782528.db2.gz	GMPDSISELJCTOI-UDWIEESQSA-N	0	1	521.067	6.231	50	30		KKEAMN
Cc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(Br)c4O)ccc3o2)cc1C	ZINC000002225453	551796856	/nfs/dbraw/zinc/79/68/56/551796856.db2.gz	IAUYOCLRNFYWTC-OPEKNORGSA-N	0	1	500.190	7.093	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1/C=N/c1c(-c2ccc3ccccc3c2)nc2ccccn21	ZINC000002255482	552083569	/nfs/dbraw/zinc/08/35/69/552083569.db2.gz	NPHVEVGEIMGNJA-MZJWZYIUSA-N	0	1	521.212	7.136	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1/C=N/c1ccc2oc(-c3cccc(I)c3)nc2c1	ZINC000003087010	552286348	/nfs/dbraw/zinc/28/63/48/552286348.db2.gz	ATCIJVGGOYEDCI-YSURURNPSA-N	0	1	598.032	7.081	50	30		KKEAMN
O=C(CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2s1)Nc1ccccc1	ZINC000003094789	552287235	/nfs/dbraw/zinc/28/72/35/552287235.db2.gz	JBAGJCULFTVBTB-OPEKNORGSA-N	0	1	577.323	7.008	50	30		KKEAMN
Cc1c(Cl)c(C)c(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c(O)c1Br	ZINC000003114202	552290023	/nfs/dbraw/zinc/29/00/23/552290023.db2.gz	SWSYSMQKVMXMQX-OXUBWTJQSA-N	0	1	524.629	8.291	50	30		KKEAMN
COc1ccc(C)cc1N1C(=S)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)c2ccccc2)=C1C	ZINC000003359015	552370345	/nfs/dbraw/zinc/37/03/45/552370345.db2.gz	AKUNISDWSDZCED-SSEXGKCCSA-N	0	1	504.655	7.263	50	30		KKEAMN
Cc1cccc(C)c1NC(=O)CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2s1	ZINC000003663359	552407857	/nfs/dbraw/zinc/40/78/57/552407857.db2.gz	OTMOQTYFQSJNIP-LUOAPIJWSA-N	0	1	516.475	7.407	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Cl)c2)cc1C	ZINC000005355454	552498513	/nfs/dbraw/zinc/49/85/13/552498513.db2.gz	JHHZYJKSPBOEJS-QFIPXVFZSA-N	0	1	555.052	6.162	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Cl)c2)cc1C	ZINC000005355446	552498630	/nfs/dbraw/zinc/49/86/30/552498630.db2.gz	JHHZYJKSPBOEJS-JOCHJYFZSA-N	0	1	555.052	6.162	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)cc1C	ZINC000005355414	552498686	/nfs/dbraw/zinc/49/86/86/552498686.db2.gz	ZTTPAHRKSMIUSE-QFIPXVFZSA-N	0	1	538.597	5.647	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000005355221	552498695	/nfs/dbraw/zinc/49/86/95/552498695.db2.gz	HJEJVGHMGKXDLQ-DEOSSOPVSA-N	0	1	562.644	5.683	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C	ZINC000005355502	552499058	/nfs/dbraw/zinc/49/90/58/552499058.db2.gz	YDFCSPCIQSDDRM-GOSISDBHSA-N	0	1	572.393	5.082	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000005402256	552501419	/nfs/dbraw/zinc/50/14/19/552501419.db2.gz	YQOVPJKTNVAUMQ-SANMLTNESA-N	0	1	603.678	6.099	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCC)cc3C)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000005919100	552512252	/nfs/dbraw/zinc/51/22/52/552512252.db2.gz	NZALVCDJDBPPDU-QHCPKHFHSA-N	0	1	550.608	5.814	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2F)c(C)c1	ZINC000005919113	552512388	/nfs/dbraw/zinc/51/23/88/552512388.db2.gz	MAFHSWYDPNZOLU-NRFANRHFSA-N	0	1	524.570	5.257	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1	ZINC000005919188	552512462	/nfs/dbraw/zinc/51/24/62/552512462.db2.gz	IXMZWLOGYMLAOV-DEOSSOPVSA-N	0	1	564.660	5.907	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2F)c(C)c1	ZINC000005919051	552512472	/nfs/dbraw/zinc/51/24/72/552512472.db2.gz	MAFHSWYDPNZOLU-OAQYLSRUSA-N	0	1	524.570	5.257	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(O)c(OCC)c2)c(C)c1	ZINC000005919069	552512501	/nfs/dbraw/zinc/51/25/01/552512501.db2.gz	CTMHWFFDWNKRTQ-QHCPKHFHSA-N	0	1	566.632	5.223	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)cc1C	ZINC000005919780	552512658	/nfs/dbraw/zinc/51/26/58/552512658.db2.gz	HFLIPYLIUGBBTK-QFIPXVFZSA-N	0	1	536.581	5.423	50	30		KKEAMN
COc1ccc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccc(C(C)(C)C)cc4)CC(=O)C3[C@@H]2c2ccccc2Cl)cc1	ZINC000005944500	552514613	/nfs/dbraw/zinc/51/46/13/552514613.db2.gz	HHHBYMJZJYDXGC-LHAPQZOASA-N	0	1	591.151	8.861	50	30		KKEAMN
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1	ZINC000006146746	552548665	/nfs/dbraw/zinc/54/86/65/552548665.db2.gz	IVSCBHKFXLWONR-UHFFFAOYSA-N	0	1	539.440	6.970	50	30		KKEAMN
COc1ccc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C3[C@H]2c2ccccc2Cl)cc1	ZINC000006289634	552578796	/nfs/dbraw/zinc/57/87/96/552578796.db2.gz	JKFZVNAGYLWBEU-APYJYERMSA-N	0	1	553.033	7.702	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1	ZINC000006458590	552590013	/nfs/dbraw/zinc/59/00/13/552590013.db2.gz	KAZBTSVKDNAJST-HSZRJFAPSA-N	0	1	533.631	5.669	50	30		KKEAMN
CN(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000008383436	552986733	/nfs/dbraw/zinc/98/67/33/552986733.db2.gz	DFLWDGWAFPUJKO-VWLOTQADSA-N	0	1	603.125	7.079	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1ccc(F)cc1	ZINC000008383454	552986809	/nfs/dbraw/zinc/98/68/09/552986809.db2.gz	AVCHRQOFWPXPMT-QHCPKHFHSA-N	0	1	561.591	6.638	50	30		KKEAMN
CCc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000008383472	552986891	/nfs/dbraw/zinc/98/68/91/552986891.db2.gz	XLJWUSNPSKSDKO-VWLOTQADSA-N	0	1	571.655	7.061	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1	ZINC000008383541	552987144	/nfs/dbraw/zinc/98/71/44/552987144.db2.gz	UEEMPANMROSHCK-HHHXNRCGSA-N	0	1	514.578	5.200	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(Br)cc3)s2)cc1	ZINC000008383960	552988331	/nfs/dbraw/zinc/98/83/31/552988331.db2.gz	REWCLZOZWZKHBC-DEOSSOPVSA-N	0	1	618.534	7.430	50	30		KKEAMN
CCC1S/C(=N/N=C/c2c(OS(=O)(=O)c3cc(Br)ccc3Br)ccc3ccccc32)NC1=O	ZINC000008387166	552993725	/nfs/dbraw/zinc/99/37/25/552993725.db2.gz	DCICQSFBACSAGE-BPDXMKQKSA-N	0	1	611.337	5.464	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000008398926	553000126	/nfs/dbraw/zinc/00/01/26/553000126.db2.gz	KDFSJBXMDUSNAH-JPQMRUPTSA-N	0	1	539.632	7.084	50	30		KKEAMN
CSc1nc2ccc(NC(=O)CSc3nc4ccc(/N=C/c5cc(I)cc(I)c5O)cc4s3)cc2s1	ZINC000008406901	553007415	/nfs/dbraw/zinc/00/74/15/553007415.db2.gz	YCZBSPIVAHARQM-YPXUMCKCSA-N	0	1	774.494	8.024	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000008433427	553028848	/nfs/dbraw/zinc/02/88/48/553028848.db2.gz	XUOOPKKUYXYYJF-MUUNZHRXSA-N	0	1	532.681	5.158	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1	ZINC000008440108	553036418	/nfs/dbraw/zinc/03/64/18/553036418.db2.gz	SROMXQBADSHLKA-YTTGMZPUSA-N	0	1	563.650	6.494	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1O	ZINC000008441230	553040100	/nfs/dbraw/zinc/04/01/00/553040100.db2.gz	CEWZOBCUOPCKPA-VWLOTQADSA-N	0	1	585.663	6.464	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(C[C@@H]4CCCO4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000008441478	553040892	/nfs/dbraw/zinc/04/08/92/553040892.db2.gz	NKVCWTQAJXLLBS-OBBJCRILSA-N	0	1	525.601	5.346	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1	ZINC000008441735	553041810	/nfs/dbraw/zinc/04/18/10/553041810.db2.gz	LZVLVVIRWWPNTE-YTTGMZPUSA-N	0	1	632.694	7.812	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000008441737	553041854	/nfs/dbraw/zinc/04/18/54/553041854.db2.gz	TWXFSCSZNSIEOF-XMMPIXPASA-N	0	1	530.989	6.878	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccc(OC)cc1	ZINC000008445053	553052929	/nfs/dbraw/zinc/05/29/29/553052929.db2.gz	CUUBOOGZSDIXGV-HEIROHQZSA-N	0	1	539.632	7.084	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(N(CC)CC)cc3)CC(=O)C2[C@H]1c1ccco1	ZINC000008445069	553053122	/nfs/dbraw/zinc/05/31/22/553053122.db2.gz	HJXSFSNWYRJIMN-CAQRMWTPSA-N	0	1	525.693	7.607	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Br)c2)nc1C	ZINC000008468510	553075729	/nfs/dbraw/zinc/07/57/29/553075729.db2.gz	FZVWIXXDDKNVIQ-KRWDZBQOSA-N	0	1	547.814	5.437	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000008559372	553077739	/nfs/dbraw/zinc/07/77/39/553077739.db2.gz	WISRECGSAIRTEM-LJAQVGFWSA-N	0	1	536.584	5.462	50	30		KKEAMN
Clc1cccc(-c2ccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCOCC4)n3)o2)c1Cl	ZINC000008694743	553120371	/nfs/dbraw/zinc/12/03/71/553120371.db2.gz	CYNOZCXOHKGXBB-JFLMPSFJSA-N	0	1	510.385	5.465	50	30		KKEAMN
CC[C@H](C)Oc1ccccc1[C@@H]1C2=C(C[C@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1	ZINC000008695586	553122250	/nfs/dbraw/zinc/12/22/50/553122250.db2.gz	MHFJRRFBLLMGGM-STSLRJEXSA-N	0	1	602.731	8.096	50	30		KKEAMN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2cccc(Cl)c2)cc1	ZINC000008695598	553122278	/nfs/dbraw/zinc/12/22/78/553122278.db2.gz	FBDPOSQCOIOTCW-SIBVEZHUSA-N	0	1	510.943	7.111	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Br)cc2)cc1C	ZINC000008816827	553152041	/nfs/dbraw/zinc/15/20/41/553152041.db2.gz	KQEIQBAZGKNQKI-HSZRJFAPSA-N	0	1	515.448	5.076	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Br)cc2)cc1C	ZINC000008816827	553152044	/nfs/dbraw/zinc/15/20/44/553152044.db2.gz	KQEIQBAZGKNQKI-HSZRJFAPSA-N	0	1	515.448	5.076	50	30		KKEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1	ZINC000008837115	553163746	/nfs/dbraw/zinc/16/37/46/553163746.db2.gz	BXUQAMPLIZSQJO-JOCHJYFZSA-N	0	1	508.502	5.375	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(F)cc2)s1	ZINC000008845610	553165834	/nfs/dbraw/zinc/16/58/34/553165834.db2.gz	SKHBSODXKMLHIP-XMMPIXPASA-N	0	1	515.566	5.656	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(F)cc1	ZINC000008846360	553166045	/nfs/dbraw/zinc/16/60/45/553166045.db2.gz	DBOABUYSCPZZAG-JPQMRUPTSA-N	0	1	512.625	7.315	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1cccs1	ZINC000008846355	553166083	/nfs/dbraw/zinc/16/60/83/553166083.db2.gz	KOSGRGSZYAPMSN-JIYROHSKSA-N	0	1	526.746	8.527	50	30		KKEAMN
C(#Cc1ccc(-c2nc(-c3ccc(Sc4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1)c1ccccc1	ZINC000008853992	553166809	/nfs/dbraw/zinc/16/68/09/553166809.db2.gz	XFFDXRXYXZMWGX-UHFFFAOYSA-N	0	1	504.658	8.962	50	30		KKEAMN
Cc1cc(Br)c(Nc2nc(N=NCc3cc(Cl)cc(Cl)c3O)nc(N3CCOCC3)n2)cc1Cl	ZINC000008872126	553172228	/nfs/dbraw/zinc/17/22/28/553172228.db2.gz	QUEITZIWSWIXDX-KALUYTGESA-N	0	1	587.693	5.635	50	30		KKEAMN
O=[N+]([O-])c1ccc(Nc2nc(=NN=Cc3c(Cl)cccc3Cl)nc(NCc3ccccc3)[nH]2)cc1	ZINC000008872874	553174275	/nfs/dbraw/zinc/17/42/75/553174275.db2.gz	DPCQYTGCDCESDE-MZJWZYIUSA-N	0	1	509.357	5.888	50	30		KKEAMN
O=[N+]([O-])c1ccc(Nc2nc(N=NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc(N3CCCCC3)n2)cc1	ZINC000008872893	553174336	/nfs/dbraw/zinc/17/43/36/553174336.db2.gz	DTIPVKVQVZRUCK-WGOQTCKBSA-N	0	1	529.517	5.128	50	30		KKEAMN
CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC(C)C)cc2)cc1	ZINC000008892719	553176844	/nfs/dbraw/zinc/17/68/44/553176844.db2.gz	MRASOZFGYHVTLC-SANMLTNESA-N	0	1	503.599	5.126	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1C	ZINC000008892814	553177017	/nfs/dbraw/zinc/17/70/17/553177017.db2.gz	PZTHWWNFOCMJKQ-SANMLTNESA-N	0	1	527.061	5.128	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000008893218	553177144	/nfs/dbraw/zinc/17/71/44/553177144.db2.gz	OZZDPERDLHETCN-OAQYLSRUSA-N	0	1	522.554	5.115	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)cc1	ZINC000008899584	553180796	/nfs/dbraw/zinc/18/07/96/553180796.db2.gz	BYGMPYGHBDTNNG-QHCPKHFHSA-N	0	1	505.368	5.187	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000008905353	553183742	/nfs/dbraw/zinc/18/37/42/553183742.db2.gz	NZUKHQCCNZTPTE-SFHVURJKSA-N	0	1	500.935	5.204	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(OC)c1	ZINC000008916662	553186805	/nfs/dbraw/zinc/18/68/05/553186805.db2.gz	FIGNKWDRYFQGOP-JIYROHSKSA-N	0	1	529.080	7.830	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000008973332	553195290	/nfs/dbraw/zinc/19/52/90/553195290.db2.gz	QBVMUDCMHRBHSR-QFIPXVFZSA-N	0	1	517.519	5.005	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000008973330	553195301	/nfs/dbraw/zinc/19/53/01/553195301.db2.gz	QBVMUDCMHRBHSR-JOCHJYFZSA-N	0	1	517.519	5.005	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000008973859	553195509	/nfs/dbraw/zinc/19/55/09/553195509.db2.gz	NHIZNYAIWCGHPF-QFIPXVFZSA-N	0	1	501.520	5.386	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(Br)c1)c1ccccc1	ZINC000008973716	553195562	/nfs/dbraw/zinc/19/55/62/553195562.db2.gz	FBOLFPADUFCVEP-FQEVSTJZSA-N	0	1	509.356	5.981	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccccc3F)sc2c1	ZINC000008981345	553196056	/nfs/dbraw/zinc/19/60/56/553196056.db2.gz	JJSYZBTZHYGDLE-HSZRJFAPSA-N	0	1	504.539	5.626	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000008996335	553197193	/nfs/dbraw/zinc/19/71/93/553197193.db2.gz	IYNKPAUQZKNDSZ-GDLZYMKVSA-N	0	1	526.633	5.279	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000008996644	553197455	/nfs/dbraw/zinc/19/74/55/553197455.db2.gz	UVKBCMFSKSCPOC-JOCHJYFZSA-N	0	1	502.548	5.330	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(C(C)(C)C)cc3)cc2)c1	ZINC000008996948	553197515	/nfs/dbraw/zinc/19/75/15/553197515.db2.gz	MRUNBSZOORKYJQ-GDLZYMKVSA-N	0	1	526.677	6.011	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000009007642	553198090	/nfs/dbraw/zinc/19/80/90/553198090.db2.gz	GNUHQRMFHBFHJO-OAQYLSRUSA-N	0	1	505.508	5.288	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCOC)ccc1O	ZINC000009020047	553201175	/nfs/dbraw/zinc/20/11/75/553201175.db2.gz	NGHCOGBSJPOTSZ-MUUNZHRXSA-N	0	1	531.605	5.293	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)cc2)ccc1OCc1ccccc1	ZINC000009019620	553201204	/nfs/dbraw/zinc/20/12/04/553201204.db2.gz	GEGPSIUWYSXOFF-NDEPHWFRSA-N	0	1	506.558	5.453	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000009042980	553202663	/nfs/dbraw/zinc/20/26/63/553202663.db2.gz	SVQZMNGXLYOHDQ-VKGTZQKMSA-N	0	1	501.970	6.559	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009043115	553202889	/nfs/dbraw/zinc/20/28/89/553202889.db2.gz	ODGQKVIPKJACDS-JOCHJYFZSA-N	0	1	506.967	5.750	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc(Cl)c3)C2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000009043135	553202901	/nfs/dbraw/zinc/20/29/01/553202901.db2.gz	SKZVPBWBBAYSBV-KEEVHDRGSA-N	0	1	517.025	6.668	50	30		KKEAMN
O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1)C(F)(F)F	ZINC000009057828	553204837	/nfs/dbraw/zinc/20/48/37/553204837.db2.gz	TXDKRWZQCFVRSL-GKVSMKOHSA-N	0	1	514.906	6.942	50	30		KKEAMN
O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1)C(F)(F)F	ZINC000009057829	553204866	/nfs/dbraw/zinc/20/48/66/553204866.db2.gz	TXDKRWZQCFVRSL-SSOJOUAXSA-N	0	1	514.906	6.942	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000009067679	553206381	/nfs/dbraw/zinc/20/63/81/553206381.db2.gz	BZXRXDJOXUYCER-JOCHJYFZSA-N	0	1	506.605	5.938	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC	ZINC000009069822	553206884	/nfs/dbraw/zinc/20/68/84/553206884.db2.gz	KZCOOLLEJXOUQU-HXUWFJFHSA-N	0	1	514.987	5.222	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccc3OC)sc2c1	ZINC000009073066	553207067	/nfs/dbraw/zinc/20/70/67/553207067.db2.gz	YDJASJWQYNHFKJ-QFIPXVFZSA-N	0	1	506.967	5.750	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)c(OCC)c2)cc1C	ZINC000009086118	553208291	/nfs/dbraw/zinc/20/82/91/553208291.db2.gz	MIXHLUPJBLGYDZ-HHHXNRCGSA-N	0	1	516.594	5.452	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000009123328	553212379	/nfs/dbraw/zinc/21/23/79/553212379.db2.gz	CROVBIHRKCGPPR-VWLOTQADSA-N	0	1	501.539	5.112	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC	ZINC000009177171	553216344	/nfs/dbraw/zinc/21/63/44/553216344.db2.gz	FSQVDLNSOVYWPR-QFIPXVFZSA-N	0	1	508.502	5.375	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)c1	ZINC000009187424	553218030	/nfs/dbraw/zinc/21/80/30/553218030.db2.gz	NVNHBNVFVLLXMA-HHHXNRCGSA-N	0	1	514.578	5.200	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1cccc(OCc2ccccc2)c1	ZINC000009199439	553219921	/nfs/dbraw/zinc/21/99/21/553219921.db2.gz	DLTKWHOBOCRWBB-XIFFEERXSA-N	0	1	522.689	7.989	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000009209863	553220481	/nfs/dbraw/zinc/22/04/81/553220481.db2.gz	QYXJAZRTZNDPFJ-QHCPKHFHSA-N	0	1	524.415	5.103	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C	ZINC000009244256	553227081	/nfs/dbraw/zinc/22/70/81/553227081.db2.gz	HUJMGIXGKXFMLH-HXUWFJFHSA-N	0	1	508.596	5.610	50	30		KKEAMN
O=C(c1ccccc1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009246708	553227338	/nfs/dbraw/zinc/22/73/38/553227338.db2.gz	WGVUHSVAFYEZBA-QXNWPYRLSA-N	0	1	515.569	6.809	50	30		KKEAMN
Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009264222	553228714	/nfs/dbraw/zinc/22/87/14/553228714.db2.gz	DTELUVMJNCSDBY-YKGWIAGDSA-N	0	1	509.005	7.456	50	30		KKEAMN
COc1ccccc1[C@@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)c1ccc(Cl)cc1	ZINC000009264308	553228862	/nfs/dbraw/zinc/22/88/62/553228862.db2.gz	SFAWVCRWIQADHX-WENCNXQZSA-N	0	1	525.004	7.156	50	30		KKEAMN
COc1ccccc1[C@@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)NC1CCCCC1	ZINC000009264330	553229090	/nfs/dbraw/zinc/22/90/90/553229090.db2.gz	MQMNGUZGUQURNX-WENCNXQZSA-N	0	1	511.622	6.705	50	30		KKEAMN
COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)c1ccc(Cl)cc1	ZINC000009264310	553229123	/nfs/dbraw/zinc/22/91/23/553229123.db2.gz	SFAWVCRWIQADHX-PRAQEBQASA-N	0	1	525.004	7.156	50	30		KKEAMN
COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)NC1CCCCC1	ZINC000009264332	553229140	/nfs/dbraw/zinc/22/91/40/553229140.db2.gz	MQMNGUZGUQURNX-PRAQEBQASA-N	0	1	511.622	6.705	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000009271474	553231041	/nfs/dbraw/zinc/23/10/41/553231041.db2.gz	PIUGQNPRTSIZPS-LJQANCHMSA-N	0	1	511.422	6.212	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000009272316	553231770	/nfs/dbraw/zinc/23/17/70/553231770.db2.gz	ZHNYLSZQPINXHU-YUDQIZAISA-N	0	1	522.601	5.792	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2ccc(F)cc2)cc1	ZINC000009273054	553232082	/nfs/dbraw/zinc/23/20/82/553232082.db2.gz	AHEMWIXKWGLZNO-HFJWLAOPSA-N	0	1	510.487	6.297	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)ccc1OCCC(C)C	ZINC000009290663	553234510	/nfs/dbraw/zinc/23/45/10/553234510.db2.gz	OUTUAEUVFBLWMM-WTYVLRPYSA-N	0	1	537.653	5.448	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(Br)cc3)ccc2O1	ZINC000009311988	553239875	/nfs/dbraw/zinc/23/98/75/553239875.db2.gz	VYKSZWKWPOMFBK-SSOJOUAXSA-N	0	1	518.407	5.594	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000009312554	553240406	/nfs/dbraw/zinc/24/04/06/553240406.db2.gz	KZRRNYMPRMYZMZ-PBBNMVCDSA-N	0	1	511.618	6.010	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000009313148	553240996	/nfs/dbraw/zinc/24/09/96/553240996.db2.gz	KZRRNYMPRMYZMZ-ONOMSOESSA-N	0	1	511.618	6.010	50	30		KKEAMN
CCCOc1ccccc1[C@H]1C2=C(C[C@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)CC	ZINC000009327508	553241740	/nfs/dbraw/zinc/24/17/40/553241740.db2.gz	FERUFQUYQKNRQF-ICACTRECSA-N	0	1	510.634	6.795	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000009328396	553242008	/nfs/dbraw/zinc/24/20/08/553242008.db2.gz	ONHMBDJMPCJCBB-WNSKOXEYSA-N	0	1	512.393	5.182	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000009329430	553242434	/nfs/dbraw/zinc/24/24/34/553242434.db2.gz	PRLIEDLPRWOWBR-XUSGNXJCSA-N	0	1	508.983	5.414	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cccc(F)c2)cc1	ZINC000009357063	553246822	/nfs/dbraw/zinc/24/68/22/553246822.db2.gz	FEKWHYGUYGLAEW-GPNASLBKSA-N	0	1	518.588	7.049	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009357753	553246940	/nfs/dbraw/zinc/24/69/40/553246940.db2.gz	FYXOWJQXQQLZIT-RUZDIDTESA-N	0	1	501.539	5.112	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000009357943	553247209	/nfs/dbraw/zinc/24/72/09/553247209.db2.gz	IWUWXJDJEHBDJR-NPMABZOXSA-N	0	1	504.514	5.681	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000009358977	553247622	/nfs/dbraw/zinc/24/76/22/553247622.db2.gz	PCZGTWUTYXNQRJ-NFQMXDRXSA-N	0	1	515.610	5.054	50	30		KKEAMN
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000009360255	553248346	/nfs/dbraw/zinc/24/83/46/553248346.db2.gz	JXKZOSBVCOHYIA-QHCPKHFHSA-N	0	1	507.384	5.410	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000009360564	553248381	/nfs/dbraw/zinc/24/83/81/553248381.db2.gz	KOVKXBLIVCGHNP-MHZLTWQESA-N	0	1	514.578	5.056	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1	ZINC000009373728	553250519	/nfs/dbraw/zinc/25/05/19/553250519.db2.gz	DBTLCABPVWVVCQ-JBEBIEQOSA-N	0	1	516.550	5.550	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000009373948	553250702	/nfs/dbraw/zinc/25/07/02/553250702.db2.gz	AQOXLHRCYZOJFB-ACSYHNTCSA-N	0	1	527.617	5.976	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2cccc(Br)c2)cc1C	ZINC000009373967	553250706	/nfs/dbraw/zinc/25/07/06/553250706.db2.gz	ZWHQDMBADODNIQ-QHCPKHFHSA-N	0	1	516.432	5.551	50	30		KKEAMN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000009379740	553251291	/nfs/dbraw/zinc/25/12/91/553251291.db2.gz	XEBIEVWRYVPJLF-HSZRJFAPSA-N	0	1	508.416	5.438	50	30		KKEAMN
Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@@H]3c3ccco3)C2)cc1	ZINC000009380032	553251604	/nfs/dbraw/zinc/25/16/04/553251604.db2.gz	AIVMBCMRMFQMRC-SGRBUWMRSA-N	0	1	500.598	7.202	50	30		KKEAMN
COc1cc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc(OC)c1OC	ZINC000009380156	553251724	/nfs/dbraw/zinc/25/17/24/553251724.db2.gz	UKSFPVCBBKEFQY-URAOTHONSA-N	0	1	526.633	6.269	50	30		KKEAMN
COc1cc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc(OC)c1OC	ZINC000009380155	553251735	/nfs/dbraw/zinc/25/17/35/553251735.db2.gz	UKSFPVCBBKEFQY-JRPXNJEYSA-N	0	1	526.633	6.269	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000009424247	553258497	/nfs/dbraw/zinc/25/84/97/553258497.db2.gz	UMNGOQDPDCPEEE-PBBNMVCDSA-N	0	1	511.618	6.010	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000009424495	553258708	/nfs/dbraw/zinc/25/87/08/553258708.db2.gz	AMUZVJHTLQAMBO-GDLZYMKVSA-N	0	1	519.553	6.029	50	30		KKEAMN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)no1	ZINC000009424747	553258865	/nfs/dbraw/zinc/25/88/65/553258865.db2.gz	QCLIZSXSADCQLC-VWLOTQADSA-N	0	1	500.938	5.998	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1	ZINC000009436619	553264515	/nfs/dbraw/zinc/26/45/15/553264515.db2.gz	MNOHKPKIHOKOJW-NGOKVRLYSA-N	0	1	512.606	5.608	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccccc3F)cc2)c1	ZINC000009461021	553267128	/nfs/dbraw/zinc/26/71/28/553267128.db2.gz	UYOHKQUBWDAGAG-DEOSSOPVSA-N	0	1	500.551	5.953	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3cccc(Cl)c3)cc2)c1	ZINC000009462830	553268471	/nfs/dbraw/zinc/26/84/71/553268471.db2.gz	RDWMCVFEKJBWMM-DEOSSOPVSA-N	0	1	517.006	6.467	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(F)cc3)cc2)c1	ZINC000009463443	553268942	/nfs/dbraw/zinc/26/89/42/553268942.db2.gz	PHJKDSHAOSSRPR-MUUNZHRXSA-N	0	1	525.580	5.578	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCOC)ccc1O	ZINC000009463893	553269119	/nfs/dbraw/zinc/26/91/19/553269119.db2.gz	STKQSWOSWNDCTG-MUUNZHRXSA-N	0	1	531.605	5.293	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccncc1	ZINC000009471426	553269918	/nfs/dbraw/zinc/26/99/18/553269918.db2.gz	SQSIWWYVUHKRLQ-HPMVVLTCSA-N	0	1	521.705	7.860	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc(O)c3)cc2)c1	ZINC000009507109	553276016	/nfs/dbraw/zinc/27/60/16/553276016.db2.gz	VFUYGDBBNSBMRQ-NDEPHWFRSA-N	0	1	506.558	5.453	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(F)cc1	ZINC000009553781	553278754	/nfs/dbraw/zinc/27/87/54/553278754.db2.gz	PAVOYJYOSFLOFV-QCBOHVIISA-N	0	1	538.707	8.604	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000009620627	553291846	/nfs/dbraw/zinc/29/18/46/553291846.db2.gz	NRFBZUGEWRBMHJ-WRGVRERRSA-N	0	1	551.595	5.969	50	30		KKEAMN
COc1cccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)c1	ZINC000009720992	553300878	/nfs/dbraw/zinc/30/08/78/553300878.db2.gz	XBGAEYDVQOIAHE-ZOYWYXQUSA-N	0	1	500.598	6.910	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)cc1C	ZINC000009994094	553324755	/nfs/dbraw/zinc/32/47/55/553324755.db2.gz	UGEDZZPHQOPNKL-NRFANRHFSA-N	0	1	522.554	5.033	50	30		KKEAMN
Oc1c(I)cc(Cl)cc1/C=N\c1ccc2nc(-c3ccc(Cl)cc3)oc2c1	ZINC000012374757	553360972	/nfs/dbraw/zinc/36/09/72/553360972.db2.gz	VQMNSWSWBSTWRW-VROXFSQNSA-N	0	1	509.130	6.862	50	30		KKEAMN
C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(OCC)cc3)c2)c1	ZINC000012579870	553398891	/nfs/dbraw/zinc/39/88/91/553398891.db2.gz	XOFACLCJHFUIDE-UHFFFAOYSA-N	0	1	528.074	6.629	50	30		KKEAMN
O=C(NCc1ccco1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000012652319	553409743	/nfs/dbraw/zinc/40/97/43/553409743.db2.gz	VYTDSNHQXABWSQ-HMILPKGGSA-N	0	1	513.981	6.810	50	30		KKEAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2ccc(C)cc2)C2=C1C(=O)CC(C)(C)C2	ZINC000013471524	553459728	/nfs/dbraw/zinc/45/97/28/553459728.db2.gz	SDOPGOMGIHUEME-HHHXNRCGSA-N	0	1	509.528	5.273	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)cc1Cl	ZINC000013552629	553470831	/nfs/dbraw/zinc/47/08/31/553470831.db2.gz	LVUNRMFUSKXNKD-IBGZPJMESA-N	0	1	503.736	5.190	50	30		KKEAMN
Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CN2CCCC[C@@H]2c2cccnc2)cc1	ZINC000015079996	553527647	/nfs/dbraw/zinc/52/76/47/553527647.db2.gz	DFVFJGJCWKJBRM-LHXZUMEBSA-N	0	1	534.704	6.760	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(OCCCC)c(OC)c2)cc1	ZINC000016729966	553576093	/nfs/dbraw/zinc/57/60/93/553576093.db2.gz	YRHDKANVVZVZMN-UFHPHHKVSA-N	0	1	537.653	5.810	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000016729941	553576109	/nfs/dbraw/zinc/57/61/09/553576109.db2.gz	CSGVPFXMNVKXPH-XRKRLSELSA-N	0	1	527.617	6.415	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(F)c2)cc1	ZINC000016730266	553576497	/nfs/dbraw/zinc/57/64/97/553576497.db2.gz	BMQCETMJVAMGAN-OAQYLSRUSA-N	0	1	524.570	5.339	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2cccc(OC)c2)nc1C	ZINC000016730400	553576548	/nfs/dbraw/zinc/57/65/48/553576548.db2.gz	BLQRDTNGJOYDJA-NRFANRHFSA-N	0	1	522.554	5.033	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000016734407	553578538	/nfs/dbraw/zinc/57/85/38/553578538.db2.gz	PQVLWHFMCABBEN-MUUNZHRXSA-N	0	1	507.542	6.415	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccs1)c1ccc(F)cc1	ZINC000016742630	553580681	/nfs/dbraw/zinc/58/06/81/553580681.db2.gz	SREWBZMDRLECBN-IBGZPJMESA-N	0	1	509.609	5.814	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2F)cc1	ZINC000016805343	553582851	/nfs/dbraw/zinc/58/28/51/553582851.db2.gz	FNUMHQAYRFWMKB-OAQYLSRUSA-N	0	1	524.570	5.339	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccccc1OCc1ccccc1	ZINC000016974038	553585806	/nfs/dbraw/zinc/58/58/06/553585806.db2.gz	OGFOSWQPSAXSLQ-MGBGTMOVSA-N	0	1	522.689	7.989	50	30		KKEAMN
COc1cccc(OCCN2CCN(c3c(CCC(C)C)c(C)c(C#N)c4nc5ccccc5n43)CC2)c1	ZINC000020150210	553595268	/nfs/dbraw/zinc/59/52/68/553595268.db2.gz	AJIZCCYVXNLDAK-UHFFFAOYSA-N	0	1	511.670	5.466	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(C)=O)cc1	ZINC000018054913	553602470	/nfs/dbraw/zinc/60/24/70/553602470.db2.gz	ZQACNVBXLYLHJI-YKGWIAGDSA-N	0	1	526.589	5.411	50	30	biogenic	KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccccc1Cl	ZINC000018115298	553604671	/nfs/dbraw/zinc/60/46/71/553604671.db2.gz	POLJJJIQMJYCTQ-ROTAYESASA-N	0	1	517.044	7.960	50	30		KKEAMN
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3[C@@H]3O[C@]312	ZINC000070687690	553607245	/nfs/dbraw/zinc/60/72/45/553607245.db2.gz	HRHAUIBJENZANL-GEAVRQQRSA-N	0	1	535.128	5.572	50	30	biogenic	KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H]2c2ccccc2OCc2ccccc2)C1	ZINC000018181904	553607999	/nfs/dbraw/zinc/60/79/99/553607999.db2.gz	HOPXCGPTQIPUHA-MHZLTWQESA-N	0	1	520.551	6.971	50	30		KKEAMN
N#Cc1c2c(c(N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)n3c4ccccc4nc13)CCC2	ZINC000020057833	553671434	/nfs/dbraw/zinc/67/14/34/553671434.db2.gz	VHYDLMBFYLSAKH-SSEXGKCCSA-N	0	1	518.064	6.413	50	30		KKEAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc2)n1	ZINC000095100612	553698969	/nfs/dbraw/zinc/69/89/69/553698969.db2.gz	HFSFJFHWRIGOBK-HOCLYGCPSA-N	0	1	756.391	6.705	50	30		KKEAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc2)n1	ZINC000095100613	553699208	/nfs/dbraw/zinc/69/92/08/553699208.db2.gz	HFSFJFHWRIGOBK-ZBFHGGJFSA-N	0	1	756.391	6.705	50	30		KKEAMN
Cc1ccc(CSc2nc3n(n2)[C@@H](c2c(Cl)cccc2Cl)C2C(=O)CC(C)(C)CC2=N3)c(C)c1	ZINC000020850900	553700152	/nfs/dbraw/zinc/70/01/52/553700152.db2.gz	GXCKSZFDLVSFPE-QHCPKHFHSA-N	0	1	513.494	7.152	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939621	553759977	/nfs/dbraw/zinc/75/99/77/553759977.db2.gz	BPUAFEQTSKMMFP-WINIVTDRSA-N	0	1	560.628	5.866	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939619	553759993	/nfs/dbraw/zinc/75/99/93/553759993.db2.gz	BPUAFEQTSKMMFP-PPHZAIPVSA-N	0	1	560.628	5.866	50	30		KKEAMN
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000097939677	553760236	/nfs/dbraw/zinc/76/02/36/553760236.db2.gz	XKQRPVFREGTMQU-NPMXOYFQSA-N	0	1	544.651	5.028	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939695	553760450	/nfs/dbraw/zinc/76/04/50/553760450.db2.gz	RCAKPRFFNSDLFX-PPHZAIPVSA-N	0	1	560.628	5.518	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939697	553760504	/nfs/dbraw/zinc/76/05/04/553760504.db2.gz	RCAKPRFFNSDLFX-WINIVTDRSA-N	0	1	560.628	5.518	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Nc3ccc(Cl)c(Cl)c3)[C@@H]2c2ccc(F)cc2)C1	ZINC000097945359	553771644	/nfs/dbraw/zinc/77/16/44/553771644.db2.gz	TVHWFZQQWXXTEP-AREMUKBSSA-N	0	1	524.423	7.981	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(S(=O)(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1	ZINC000024193212	553790574	/nfs/dbraw/zinc/79/05/74/553790574.db2.gz	MYHJSLZWGWQDEQ-DEOSSOPVSA-N	0	1	510.011	5.853	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CSc2nc4ccccc4s2)[C@@H]3c2cccs2)cc1	ZINC000097948879	553797425	/nfs/dbraw/zinc/79/74/25/553797425.db2.gz	GSRZBVWUZNNIHW-GFJKYASSSA-N	0	1	609.798	8.059	50	30		KKEAMN
CC(C)(C)c1cc([C@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc(C(C)(C)C)c1O	ZINC000097948973	553798186	/nfs/dbraw/zinc/79/81/86/553798186.db2.gz	JHRDMCPAFWRGOW-NHOCJEJCSA-N	0	1	622.806	9.402	50	30		KKEAMN
COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000097949090	553799351	/nfs/dbraw/zinc/79/93/51/553799351.db2.gz	HTHYMTDULWXGKP-CQGGRAHPSA-N	0	1	642.627	6.201	50	30		KKEAMN
COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000097949089	553799357	/nfs/dbraw/zinc/79/93/57/553799357.db2.gz	HTHYMTDULWXGKP-ADKRDUOOSA-N	0	1	642.627	6.201	50	30		KKEAMN
COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000097949091	553799391	/nfs/dbraw/zinc/79/93/91/553799391.db2.gz	HTHYMTDULWXGKP-SFNQZPIRSA-N	0	1	642.627	6.201	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1	ZINC000097949132	553799752	/nfs/dbraw/zinc/79/97/52/553799752.db2.gz	OOUURFFQUIEZGB-FRRBMJAGSA-N	0	1	649.231	9.573	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3OCC)C2)[C@@H]1c1ccc(OC)cc1	ZINC000097949809	553803141	/nfs/dbraw/zinc/80/31/41/553803141.db2.gz	LLJDPDHFBANEHH-WOPWWUTRSA-N	0	1	538.688	7.575	50	30		KKEAMN
CCCCCCCCCCCCCCCCn1c2ccccc2nc1NCc1cc(Cl)cc(Cl)c1O	ZINC000097951354	553808523	/nfs/dbraw/zinc/80/85/23/553808523.db2.gz	HIFAGJKPOIQFBI-UHFFFAOYSA-N	0	1	532.600	10.142	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1	ZINC000097951544	553809686	/nfs/dbraw/zinc/80/96/86/553809686.db2.gz	JMUROROFMNTTMD-HKBQPEDESA-N	0	1	517.754	9.055	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1C	ZINC000097951648	553810241	/nfs/dbraw/zinc/81/02/41/553810241.db2.gz	CYWSSBJERITKFI-RUZDIDTESA-N	0	1	535.438	6.110	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1	ZINC000097951817	553811448	/nfs/dbraw/zinc/81/14/48/553811448.db2.gz	OLPFXWUGYBEAGT-HHHXNRCGSA-N	0	1	546.620	5.373	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000097952348	553815139	/nfs/dbraw/zinc/81/51/39/553815139.db2.gz	QLSQEGRSJGJJDI-GDLZYMKVSA-N	0	1	539.584	5.963	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000097952535	553816353	/nfs/dbraw/zinc/81/63/53/553816353.db2.gz	BOYMKYVYCJJHEU-QHCPKHFHSA-N	0	1	531.546	5.313	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(Cl)c3)cc2)c1	ZINC000097952569	553816662	/nfs/dbraw/zinc/81/66/62/553816662.db2.gz	GKUMZANCHSRNEG-NDEPHWFRSA-N	0	1	542.035	6.093	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000097952681	553817716	/nfs/dbraw/zinc/81/77/16/553817716.db2.gz	QKYMKXVWFSRODM-NDEPHWFRSA-N	0	1	544.604	5.209	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000097952952	553818197	/nfs/dbraw/zinc/81/81/97/553818197.db2.gz	VNTWQRRUOZTRJB-PMERELPUSA-N	0	1	533.580	6.071	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097953003	553818475	/nfs/dbraw/zinc/81/84/75/553818475.db2.gz	YEYAGTXSOGQJME-GDLZYMKVSA-N	0	1	543.616	5.466	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1F	ZINC000026459126	553818551	/nfs/dbraw/zinc/81/85/51/553818551.db2.gz	YQFCURFXIWPPHC-AREMUKBSSA-N	0	1	523.557	5.639	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F	ZINC000026459159	553818556	/nfs/dbraw/zinc/81/85/56/553818556.db2.gz	VCEZGLGNRQZADY-HHHXNRCGSA-N	0	1	513.521	5.785	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1	ZINC000097953069	553819052	/nfs/dbraw/zinc/81/90/52/553819052.db2.gz	UZRRGJZZAMTZHA-HKBQPEDESA-N	0	1	535.744	9.194	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000097953084	553819066	/nfs/dbraw/zinc/81/90/66/553819066.db2.gz	IWSQASPYXLLBFE-MUUNZHRXSA-N	0	1	537.572	5.115	50	30		KKEAMN
C=CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1	ZINC000027017963	553823362	/nfs/dbraw/zinc/82/33/62/553823362.db2.gz	KFAQTIQKUVYAOB-MHZLTWQESA-N	0	1	500.599	5.321	50	30		KKEAMN
Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1	ZINC000097954899	553826429	/nfs/dbraw/zinc/82/64/29/553826429.db2.gz	KIFAJURSPAHBIH-UHFFFAOYSA-N	0	1	550.106	6.421	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)cc1C	ZINC000097954885	553826454	/nfs/dbraw/zinc/82/64/54/553826454.db2.gz	KRMLLZMMJPSHEG-QFIPXVFZSA-N	0	1	538.597	5.647	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cc(Br)c(O)c(OC)c2)cc1	ZINC000097955130	553829030	/nfs/dbraw/zinc/82/90/30/553829030.db2.gz	NXHNEFXYFUOWAB-NRFANRHFSA-N	0	1	543.370	5.031	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(N(C)C)cc2)cc1	ZINC000097955139	553829036	/nfs/dbraw/zinc/82/90/36/553829036.db2.gz	YESDDPUHNOZCHV-PMERELPUSA-N	0	1	533.628	5.814	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097955156	553829132	/nfs/dbraw/zinc/82/91/32/553829132.db2.gz	GJHVHEAQXNVGJE-URAOTHONSA-N	0	1	541.644	6.019	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097955158	553829138	/nfs/dbraw/zinc/82/91/38/553829138.db2.gz	GJHVHEAQXNVGJE-IIMAJNMQSA-N	0	1	541.644	6.019	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000097955187	553829498	/nfs/dbraw/zinc/82/94/98/553829498.db2.gz	BLHXTJOJBYSLCF-HWRSSNJWSA-N	0	1	576.602	5.568	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000097955619	553832043	/nfs/dbraw/zinc/83/20/43/553832043.db2.gz	WMGDDBWGNABGNP-SGANQWHYSA-N	0	1	547.032	6.455	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000097955642	553832473	/nfs/dbraw/zinc/83/24/73/553832473.db2.gz	XLCWGWZAAIEWAZ-LFPIHBKWSA-N	0	1	533.005	6.065	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C	ZINC000097955665	553832566	/nfs/dbraw/zinc/83/25/66/553832566.db2.gz	GTHHQEKXVKCVHZ-MUUNZHRXSA-N	0	1	621.111	6.937	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OC	ZINC000097955707	553833149	/nfs/dbraw/zinc/83/31/49/553833149.db2.gz	FZJADHXKGAOPQK-PIIWDFAUSA-N	0	1	545.636	5.063	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000097955724	553833199	/nfs/dbraw/zinc/83/31/99/553833199.db2.gz	PNNHZIQHDRPYHG-JCQPUDPBSA-N	0	1	520.969	6.195	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097955744	553833558	/nfs/dbraw/zinc/83/35/58/553833558.db2.gz	UVVKOCZHHIHNEV-NPMABZOXSA-N	0	1	520.969	6.195	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000097955759	553833601	/nfs/dbraw/zinc/83/36/01/553833601.db2.gz	GZTNQWAAWSLBJQ-OLILMLBXSA-N	0	1	542.632	5.761	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC=C)c(C)c3)[C@H]2c2ccccc2F)nc1C	ZINC000097956875	553842921	/nfs/dbraw/zinc/84/29/21/553842921.db2.gz	XXRRWHOGRMJNRN-HSZRJFAPSA-N	0	1	548.592	5.590	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000097956889	553842991	/nfs/dbraw/zinc/84/29/91/553842991.db2.gz	GWDNUFPNEWQWOF-XMMPIXPASA-N	0	1	578.643	5.302	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC	ZINC000029747938	553849120	/nfs/dbraw/zinc/84/91/20/553849120.db2.gz	IFVRPRCKRJDAKN-WENCNXQZSA-N	0	1	599.640	5.635	50	30		KKEAMN
Cc1cc(/C=N/N=C2/NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)c(C)n1-c1cc(Cl)ccc1Cl	ZINC000097959782	553866076	/nfs/dbraw/zinc/86/60/76/553866076.db2.gz	CRAHTEXFISTKLA-WJTLWOGJSA-N	0	1	553.487	6.880	50	30		KKEAMN
O=C(Nc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1)c1cc2ccccc2o1	ZINC000097966011	553906437	/nfs/dbraw/zinc/90/64/37/553906437.db2.gz	XQOPHCQKAIZXTB-BRJLIKDPSA-N	0	1	514.173	6.666	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000097966780	553910436	/nfs/dbraw/zinc/91/04/36/553910436.db2.gz	MXNCAJFVHYLHDN-NDEPHWFRSA-N	0	1	535.556	5.656	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1	ZINC000097966825	553910813	/nfs/dbraw/zinc/91/08/13/553910813.db2.gz	JPWTUQFPCHFMTN-HKBQPEDESA-N	0	1	596.650	9.817	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000097966854	553911064	/nfs/dbraw/zinc/91/10/64/553911064.db2.gz	LIARQLWRTYMKDD-HKBQPEDESA-N	0	1	564.638	6.155	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Br)cc1	ZINC000097966865	553911222	/nfs/dbraw/zinc/91/12/22/553911222.db2.gz	GJMKNMGIKUJZDK-HKBQPEDESA-N	0	1	612.649	9.517	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000097967035	553913067	/nfs/dbraw/zinc/91/30/67/553913067.db2.gz	GOQSNHKMHPACTG-MHZLTWQESA-N	0	1	614.676	5.926	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)ccc1OCc1ccccc1	ZINC000097967127	553913945	/nfs/dbraw/zinc/91/39/45/553913945.db2.gz	QRDQJLOFRORMRH-JRPXNJEYSA-N	0	1	557.643	5.603	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OC)c2)nc1C	ZINC000097967160	553914478	/nfs/dbraw/zinc/91/44/78/553914478.db2.gz	UCENGCFIEIWUDP-HHHXNRCGSA-N	0	1	614.676	6.013	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(Br)cc1	ZINC000097967211	553915401	/nfs/dbraw/zinc/91/54/01/553915401.db2.gz	YBIQUXVMBCRXLY-SSEXGKCCSA-N	0	1	661.519	10.271	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000097967253	553915726	/nfs/dbraw/zinc/91/57/26/553915726.db2.gz	AMFKYVYYCPCWAM-YTTGMZPUSA-N	0	1	577.633	5.866	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O	ZINC000097967256	553915798	/nfs/dbraw/zinc/91/57/98/553915798.db2.gz	NVOBFLMRNJRDTH-MHZLTWQESA-N	0	1	614.676	6.013	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097967301	553916770	/nfs/dbraw/zinc/91/67/70/553916770.db2.gz	PATINVOWOKZNQQ-XBBWARJSSA-N	0	1	678.232	7.778	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000097967328	553916794	/nfs/dbraw/zinc/91/67/94/553916794.db2.gz	TXDTVXIBWAPKEC-OYLFLEFRSA-N	0	1	577.634	6.215	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1	ZINC000097967337	553917202	/nfs/dbraw/zinc/91/72/02/553917202.db2.gz	QVKCLDMCJOJDRQ-DHYKOVJISA-N	0	1	726.276	8.568	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097967362	553917577	/nfs/dbraw/zinc/91/75/77/553917577.db2.gz	RXSXRMPGJGOMKV-KWMCUTETSA-N	0	1	664.205	7.388	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097967361	553917727	/nfs/dbraw/zinc/91/77/27/553917727.db2.gz	RXSXRMPGJGOMKV-JMQGSBJISA-N	0	1	664.205	7.388	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000097967436	553918550	/nfs/dbraw/zinc/91/85/50/553918550.db2.gz	MZRQUZTYOOVBHV-PWECECGKSA-N	0	1	637.508	6.278	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000097967446	553918606	/nfs/dbraw/zinc/91/86/06/553918606.db2.gz	GAAUQLCHNSTAKL-SSOJOUAXSA-N	0	1	599.690	5.723	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)s2)cc1	ZINC000097967499	553919459	/nfs/dbraw/zinc/91/94/59/553919459.db2.gz	AHTBQTNYGQAKDN-YKGWIAGDSA-N	0	1	641.815	7.670	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097967558	553920158	/nfs/dbraw/zinc/92/01/58/553920158.db2.gz	OTNJAPKMFWJVKA-IZHWHUGBSA-N	0	1	610.544	7.244	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097967600	553920518	/nfs/dbraw/zinc/92/05/18/553920518.db2.gz	UBDJPFNAJVDIDI-OLILMLBXSA-N	0	1	662.233	8.015	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000097967592	553920582	/nfs/dbraw/zinc/92/05/82/553920582.db2.gz	RPALZPCDFUSIQJ-SFDCACGMSA-N	0	1	571.869	7.363	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1	ZINC000097967689	553921817	/nfs/dbraw/zinc/92/18/17/553921817.db2.gz	DHPUARWSFKWTAH-RSUXDYMJSA-N	0	1	741.891	9.068	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097967753	553922809	/nfs/dbraw/zinc/92/28/09/553922809.db2.gz	SLHVHCHXIFFGPA-MMTVBGGISA-N	0	1	611.745	6.810	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000097967829	553923968	/nfs/dbraw/zinc/92/39/68/553923968.db2.gz	IDQIMHRJIATBES-OYLFLEFRSA-N	0	1	577.634	6.215	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC	ZINC000097967922	553925267	/nfs/dbraw/zinc/92/52/67/553925267.db2.gz	DABRFPDAMTVZST-MHZLTWQESA-N	0	1	606.697	6.176	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097967938	553925317	/nfs/dbraw/zinc/92/53/17/553925317.db2.gz	AOBHFDSGMBLJGL-MUUNZHRXSA-N	0	1	647.750	6.949	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1	ZINC000097967990	553926083	/nfs/dbraw/zinc/92/60/83/553926083.db2.gz	YFIHGCMNHFEBSH-HHHXNRCGSA-N	0	1	585.638	5.378	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097968009	553926096	/nfs/dbraw/zinc/92/60/96/553926096.db2.gz	GHMSCXKQVUHYJF-MUUNZHRXSA-N	0	1	678.188	7.001	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)s2)cc1	ZINC000097967996	553926259	/nfs/dbraw/zinc/92/62/59/553926259.db2.gz	QLPDDCKTSIZZEL-WJOKGBTCSA-N	0	1	663.777	7.272	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097968041	553926588	/nfs/dbraw/zinc/92/65/88/553926588.db2.gz	AKYFCUBNBJYFRR-LJAQVGFWSA-N	0	1	657.770	6.656	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000097968026	553926595	/nfs/dbraw/zinc/92/65/95/553926595.db2.gz	IOYMXDUSHLXLET-QHCPKHFHSA-N	0	1	578.071	6.038	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000097968072	553927101	/nfs/dbraw/zinc/92/71/01/553927101.db2.gz	JBFUHULSNCKJHE-PLTNMMHCSA-N	0	1	740.731	9.211	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097968086	553927340	/nfs/dbraw/zinc/92/73/40/553927340.db2.gz	HNJNLKSKVQPLNG-JGCGQSQUSA-N	0	1	679.820	7.963	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2	ZINC000097968124	553927901	/nfs/dbraw/zinc/92/79/01/553927901.db2.gz	OIBOWBWCADIUFP-HSZRJFAPSA-N	0	1	577.615	5.229	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097968109	553927912	/nfs/dbraw/zinc/92/79/12/553927912.db2.gz	WHKFJHXJUSXTKU-SSEXGKCCSA-N	0	1	651.766	7.327	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097968132	553927993	/nfs/dbraw/zinc/92/79/93/553927993.db2.gz	PEUOMTJWLVRVPL-AREMUKBSSA-N	0	1	599.690	5.949	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000097968144	553928350	/nfs/dbraw/zinc/92/83/50/553928350.db2.gz	MVXYXUFQMWNOSH-RUZDIDTESA-N	0	1	615.689	5.480	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)s2)cc1	ZINC000097968192	553928738	/nfs/dbraw/zinc/92/87/38/553928738.db2.gz	KDUXCQLNFPCQDX-XMMPIXPASA-N	0	1	592.098	6.346	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1	ZINC000097968179	553928833	/nfs/dbraw/zinc/92/88/33/553928833.db2.gz	HIZSXTNZVKOJRJ-YTTGMZPUSA-N	0	1	728.248	8.016	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000097968263	553929873	/nfs/dbraw/zinc/92/98/73/553929873.db2.gz	VIEDCSWBTLPXKG-MHZLTWQESA-N	0	1	700.622	7.489	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC	ZINC000097968277	553929970	/nfs/dbraw/zinc/92/99/70/553929970.db2.gz	LPIQYEURHMLBNI-XMMPIXPASA-N	0	1	564.616	5.006	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097968280	553929994	/nfs/dbraw/zinc/92/99/94/553929994.db2.gz	HSYXARBVPZTKGI-VWLOTQADSA-N	0	1	605.669	5.922	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000097968272	553930005	/nfs/dbraw/zinc/93/00/05/553930005.db2.gz	LUJQUHUGPPPRSK-PMERELPUSA-N	0	1	691.803	7.491	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097968267	553930018	/nfs/dbraw/zinc/93/00/18/553930018.db2.gz	ZYZCYXCKRUMVCB-MHZLTWQESA-N	0	1	615.733	6.482	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000097968284	553930077	/nfs/dbraw/zinc/93/00/77/553930077.db2.gz	WQNJPEWXKMWWDO-PMERELPUSA-N	0	1	742.703	8.659	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000097968340	553930694	/nfs/dbraw/zinc/93/06/94/553930694.db2.gz	VFQMQIPRNIZNKH-DEOSSOPVSA-N	0	1	601.662	5.171	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000097968349	553930738	/nfs/dbraw/zinc/93/07/38/553930738.db2.gz	PODIDMXCKUYDRJ-XMMPIXPASA-N	0	1	619.652	5.310	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000097968373	553931137	/nfs/dbraw/zinc/93/11/37/553931137.db2.gz	WJOFJUSIWLHHAV-WWOZWPLTSA-N	0	1	726.704	8.821	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2	ZINC000097968370	553931220	/nfs/dbraw/zinc/93/12/20/553931220.db2.gz	SHNOUVCSGYFBMP-QHCPKHFHSA-N	0	1	577.615	5.229	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097968389	553932003	/nfs/dbraw/zinc/93/20/03/553932003.db2.gz	XAXDCPRQUDHEQE-AREMUKBSSA-N	0	1	619.696	6.312	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C	ZINC000097968426	553932568	/nfs/dbraw/zinc/93/25/68/553932568.db2.gz	HCJOFGOAKIKZGC-SSEXGKCCSA-N	0	1	708.258	7.862	50	30		KKEAMN
O=[N+]([O-])c1ccc(-c2ccc(CN=Nc3nc(Nc4cccc(C(F)(F)F)c4)nc(N4CCOCC4)n3)o2)c(Cl)c1	ZINC000033355149	553933284	/nfs/dbraw/zinc/93/32/84/553933284.db2.gz	KNYKSMRTBCTAMU-AMVVHIIESA-N	0	1	588.934	5.738	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@H]2c2cccc(Br)c2)cc(OC)c1OC	ZINC000033355178	553933460	/nfs/dbraw/zinc/93/34/60/553933460.db2.gz	GDWRRQJYZYAPDD-PVAZPRTOSA-N	0	1	639.546	7.689	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000097969013	553935743	/nfs/dbraw/zinc/93/57/43/553935743.db2.gz	PIQGRIXFJUYODH-PBUKZNKTSA-N	0	1	589.688	6.809	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000097969041	553935857	/nfs/dbraw/zinc/93/58/57/553935857.db2.gz	JLYLVICPDVDMBV-WKRVVKTRSA-N	0	1	555.671	6.265	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097969121	553936578	/nfs/dbraw/zinc/93/65/78/553936578.db2.gz	VWHFSYNIMIFKAS-UKPGIYTDSA-N	0	1	682.223	8.169	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097969141	553936841	/nfs/dbraw/zinc/93/68/41/553936841.db2.gz	YGFQPUVYTGIHNR-QUGAMOGWSA-N	0	1	603.697	6.475	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000097969163	553937532	/nfs/dbraw/zinc/93/75/32/553937532.db2.gz	VILAKKIEPVUFTC-MUUNZHRXSA-N	0	1	658.729	6.324	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097969199	553937744	/nfs/dbraw/zinc/93/77/44/553937744.db2.gz	WHALWRZCWJRFPQ-UGDMGKLASA-N	0	1	647.778	7.516	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097969275	553938707	/nfs/dbraw/zinc/93/87/07/553938707.db2.gz	QWXFTZGHMPHVBT-OLILMLBXSA-N	0	1	662.233	8.159	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1	ZINC000097969256	553938728	/nfs/dbraw/zinc/93/87/28/553938728.db2.gz	MNGCOQPBUCRPPY-ULKXQASOSA-N	0	1	709.821	8.054	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097969262	553938734	/nfs/dbraw/zinc/93/87/34/553938734.db2.gz	FLXMOMVRKGMXGF-KCWXNJEJSA-N	0	1	627.788	7.506	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097969281	553938739	/nfs/dbraw/zinc/93/87/39/553938739.db2.gz	ZSFREEOKHPESSI-CLYVBNDRSA-N	0	1	632.163	7.155	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1	ZINC000097969305	553939177	/nfs/dbraw/zinc/93/91/77/553939177.db2.gz	IYRWEOCMHHKBJK-FZYZMVIOSA-N	0	1	639.129	7.644	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000097969395	553940315	/nfs/dbraw/zinc/94/03/15/553940315.db2.gz	NXKOVFJGOJPYMD-JIYROHSKSA-N	0	1	569.698	6.655	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000097969420	553940843	/nfs/dbraw/zinc/94/08/43/553940843.db2.gz	SSPIQSUCYRNZMY-GDLZYMKVSA-N	0	1	548.724	5.772	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C	ZINC000097969409	553940848	/nfs/dbraw/zinc/94/08/48/553940848.db2.gz	OFLQSTAUQGPUAC-AREMUKBSSA-N	0	1	561.506	5.781	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000097969442	553941157	/nfs/dbraw/zinc/94/11/57/553941157.db2.gz	KMHRSFJYRZWPMB-LJAQVGFWSA-N	0	1	542.632	5.097	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000097969500	553941635	/nfs/dbraw/zinc/94/16/35/553941635.db2.gz	GECWUNJCDDKVLX-JGCGQSQUSA-N	0	1	584.713	6.267	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000097969738	553944075	/nfs/dbraw/zinc/94/40/75/553944075.db2.gz	IMYHRWMRZRXYRP-AREMUKBSSA-N	0	1	577.058	6.683	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097969746	553944086	/nfs/dbraw/zinc/94/40/86/553944086.db2.gz	YZODNSBQQHXSKD-WJOKGBTCSA-N	0	1	571.670	6.247	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097969778	553944727	/nfs/dbraw/zinc/94/47/27/553944727.db2.gz	DTZRQOHKMWMERM-WGDIFIGCSA-N	0	1	603.697	6.475	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097969857	553945874	/nfs/dbraw/zinc/94/58/74/553945874.db2.gz	VLOZWWNIBNGGET-KEEVHDRGSA-N	0	1	692.259	8.168	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000097969894	553946284	/nfs/dbraw/zinc/94/62/84/553946284.db2.gz	PXQLJGLLPHLVNG-YMGMXPECSA-N	0	1	605.112	7.244	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C	ZINC000097969891	553946549	/nfs/dbraw/zinc/94/65/49/553946549.db2.gz	CQFCLHSSESUYOL-UKPGIYTDSA-N	0	1	689.831	7.899	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097969912	553946955	/nfs/dbraw/zinc/94/69/55/553946955.db2.gz	FGZQKCDTOTUZRF-JCOAXYOVSA-N	0	1	665.768	7.655	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000097969938	553947328	/nfs/dbraw/zinc/94/73/28/553947328.db2.gz	QPJGNPJEKWYLAM-IVCQMTBJSA-N	0	1	617.680	5.862	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097969942	553947376	/nfs/dbraw/zinc/94/73/76/553947376.db2.gz	GJLYXBKYSWQUFO-PPHZAIPVSA-N	0	1	599.734	6.726	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097970012	553948210	/nfs/dbraw/zinc/94/82/10/553948210.db2.gz	XCXVNGFHBWUOPR-DFXYEROKSA-N	0	1	655.798	7.209	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1	ZINC000097970057	553949034	/nfs/dbraw/zinc/94/90/34/553949034.db2.gz	QTBZFWKYUGIHBY-SANMLTNESA-N	0	1	556.596	5.285	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCCCC)c(OCC)c2)nc1C	ZINC000097970101	553949463	/nfs/dbraw/zinc/94/94/63/553949463.db2.gz	OFVBSQLAYFRLNR-MUUNZHRXSA-N	0	1	648.734	6.316	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097970114	553949656	/nfs/dbraw/zinc/94/96/56/553949656.db2.gz	XTZZZZDKMWQPDM-MYUZEXMDSA-N	0	1	617.724	6.865	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097970219	553951299	/nfs/dbraw/zinc/95/12/99/553951299.db2.gz	XDUHDAMLSZHPOU-XBBWARJSSA-N	0	1	696.678	8.813	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C	ZINC000097970358	553953013	/nfs/dbraw/zinc/95/30/13/553953013.db2.gz	TYPNRCBRLJCNSC-JCOAXYOVSA-N	0	1	706.286	8.414	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000097970366	553953352	/nfs/dbraw/zinc/95/33/52/553953352.db2.gz	QLOUPHCQQPCBHU-XMMPIXPASA-N	0	1	639.480	5.726	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1	ZINC000097970398	553953827	/nfs/dbraw/zinc/95/38/27/553953827.db2.gz	DFQRKEUPRRUXJU-GHRAFVERSA-N	0	1	576.649	6.161	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000097970502	553954944	/nfs/dbraw/zinc/95/49/44/553954944.db2.gz	WICDEVOXFPZIPD-CPJLOUKISA-N	0	1	634.135	6.377	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000097970489	553954961	/nfs/dbraw/zinc/95/49/61/553954961.db2.gz	MCUHKIKQXSIJSQ-KATKFWMUSA-N	0	1	693.847	8.277	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097970528	553955621	/nfs/dbraw/zinc/95/56/21/553955621.db2.gz	QXKHCNZXMLNJDA-DWXRJYCRSA-N	0	1	585.707	6.335	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000033358447	553955798	/nfs/dbraw/zinc/95/57/98/553955798.db2.gz	KHTSBBCEXSDIDZ-WOPWWUTRSA-N	0	1	554.687	7.193	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097970565	553955890	/nfs/dbraw/zinc/95/58/90/553955890.db2.gz	GZRSESOBCJBNCF-UKPGIYTDSA-N	0	1	706.286	8.558	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000097970616	553956897	/nfs/dbraw/zinc/95/68/97/553956897.db2.gz	QOUZDBZMIDPHES-CLYVBNDRSA-N	0	1	620.724	6.312	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000097970697	553957472	/nfs/dbraw/zinc/95/74/72/553957472.db2.gz	RSEGNZCTDVBTEP-CRICUBBOSA-N	0	1	571.680	5.945	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C	ZINC000097970718	553957798	/nfs/dbraw/zinc/95/77/98/553957798.db2.gz	IETXFNQHGFZMEB-JCOAXYOVSA-N	0	1	706.286	8.414	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C	ZINC000097970706	553957828	/nfs/dbraw/zinc/95/78/28/553957828.db2.gz	WZILWEGIYCJNJB-XMMPIXPASA-N	0	1	578.643	5.217	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097970715	553957997	/nfs/dbraw/zinc/95/79/97/553957997.db2.gz	SIVQTGCMDKITIU-PIIWDFAUSA-N	0	1	613.761	7.034	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C	ZINC000097970750	553958222	/nfs/dbraw/zinc/95/82/22/553958222.db2.gz	PWYZTXOLDASBGL-UVDDSOTQSA-N	0	1	671.841	7.760	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097970762	553958284	/nfs/dbraw/zinc/95/82/84/553958284.db2.gz	BGJCALJOSRDVQH-SONOPUAISA-N	0	1	676.216	7.554	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C	ZINC000097970930	553959463	/nfs/dbraw/zinc/95/94/63/553959463.db2.gz	KHMSAIUTQMDMLV-MUUNZHRXSA-N	0	1	628.703	6.403	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000097971004	553960259	/nfs/dbraw/zinc/96/02/59/553960259.db2.gz	CEBSPPRAJLXWHM-AREMUKBSSA-N	0	1	647.547	7.061	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3ccc(Cl)cc3)nc2c1	ZINC000097994476	554032088	/nfs/dbraw/zinc/03/20/88/554032088.db2.gz	YLGKCMFYPWEDPE-YSURURNPSA-N	0	1	600.581	6.814	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1	ZINC000097999651	554045027	/nfs/dbraw/zinc/04/50/27/554045027.db2.gz	WOGUDUCWUZWKQH-RBBQXQBVSA-N	0	1	593.079	7.350	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1	ZINC000097999754	554045575	/nfs/dbraw/zinc/04/55/75/554045575.db2.gz	IPAUTQWAMCBSTQ-VFHLRKMQSA-N	0	1	665.230	9.273	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1	ZINC000097999753	554045654	/nfs/dbraw/zinc/04/56/54/554045654.db2.gz	IPAUTQWAMCBSTQ-RWBZGNMBSA-N	0	1	665.230	9.273	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1	ZINC000097999794	554045902	/nfs/dbraw/zinc/04/59/02/554045902.db2.gz	RTCUDCAEILXUHW-QHKNHCAJSA-N	0	1	775.298	9.567	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	ZINC000097999770	554045957	/nfs/dbraw/zinc/04/59/57/554045957.db2.gz	LGMMQDNXRHFURG-OJVJLOJWSA-N	0	1	663.258	10.107	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1	ZINC000097999833	554046171	/nfs/dbraw/zinc/04/61/71/554046171.db2.gz	FQAVNYLSQUPLDZ-KWXDVARASA-N	0	1	607.150	8.547	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)C3)[C@@H]2c2ccc(F)cc2)cc(OC)c1OC	ZINC000098003667	554055689	/nfs/dbraw/zinc/05/56/89/554055689.db2.gz	BGHHKUPZFVNSFJ-CZTRJMPPSA-N	0	1	634.748	8.363	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)C3)[C@@H]2c2ccc(F)cc2)cc(OC)c1OC	ZINC000098003666	554055774	/nfs/dbraw/zinc/05/57/74/554055774.db2.gz	BGHHKUPZFVNSFJ-MUVVOIGYSA-N	0	1	634.748	8.363	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1	ZINC000098003659	554055822	/nfs/dbraw/zinc/05/58/22/554055822.db2.gz	GJXYXYIKCCJUQX-WOPWWUTRSA-N	0	1	681.538	9.434	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1	ZINC000098003660	554055842	/nfs/dbraw/zinc/05/58/42/554055842.db2.gz	GJXYXYIKCCJUQX-PBUKZNKTSA-N	0	1	681.538	9.434	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccc(C)cc4)C3)[C@H]2c2cccc(Br)c2)cc(OC)c1OC	ZINC000098045244	554131317	/nfs/dbraw/zinc/13/13/17/554131317.db2.gz	MVQGIUXJCBTBCJ-YUYWZBKDSA-N	0	1	653.573	7.998	50	30		KKEAMN
COc1cc([C@H]2C3=C(C[C@H](c4cccc(F)c4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC	ZINC000098045531	554132224	/nfs/dbraw/zinc/13/22/24/554132224.db2.gz	RFSHKVGKTAATEB-KGMZSHBCSA-N	0	1	662.545	8.764	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(Br)cc3)cc2)c1	ZINC000098045748	554133459	/nfs/dbraw/zinc/13/34/59/554133459.db2.gz	HPXMIFLMXDATSC-MUUNZHRXSA-N	0	1	569.455	6.510	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000098045758	554133726	/nfs/dbraw/zinc/13/37/26/554133726.db2.gz	RRGLLGLETJXUMJ-VWLOTQADSA-N	0	1	633.520	6.671	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000098046335	554137937	/nfs/dbraw/zinc/13/79/37/554137937.db2.gz	ZLBZRMAGIIZCKJ-QFIPXVFZSA-N	0	1	553.036	5.938	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000098046420	554138695	/nfs/dbraw/zinc/13/86/95/554138695.db2.gz	JYQUKYTWDWPACZ-HHHXNRCGSA-N	0	1	647.775	6.818	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000098046447	554138994	/nfs/dbraw/zinc/13/89/94/554138994.db2.gz	UWIOTSMTBNZJGQ-VWLOTQADSA-N	0	1	575.687	6.931	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000098046463	554139459	/nfs/dbraw/zinc/13/94/59/554139459.db2.gz	AEMDFLKQVKZIHP-VWLOTQADSA-N	0	1	626.587	8.099	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000098046499	554139860	/nfs/dbraw/zinc/13/98/60/554139860.db2.gz	AFMBPNYWIMQLAU-NDEPHWFRSA-N	0	1	643.693	7.692	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000098046498	554139943	/nfs/dbraw/zinc/13/99/43/554139943.db2.gz	AFMBPNYWIMQLAU-MUUNZHRXSA-N	0	1	643.693	7.692	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Br)c2)nc1C	ZINC000098046523	554140126	/nfs/dbraw/zinc/14/01/26/554140126.db2.gz	KXCKSRYDNUYZTD-HXUWFJFHSA-N	0	1	537.391	5.946	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OC	ZINC000098046536	554140158	/nfs/dbraw/zinc/14/01/58/554140158.db2.gz	MHVXCWTYQBADDU-LJAQVGFWSA-N	0	1	676.216	8.591	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(Br)c2)nc1C	ZINC000098046524	554140312	/nfs/dbraw/zinc/14/03/12/554140312.db2.gz	KXCKSRYDNUYZTD-FQEVSTJZSA-N	0	1	537.391	5.946	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccco2)cc(Br)c1O	ZINC000098046587	554141109	/nfs/dbraw/zinc/14/11/09/554141109.db2.gz	JEVKWNXPRIJJAZ-OAQYLSRUSA-N	0	1	524.323	5.281	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc(Br)c3)cc2)c1	ZINC000098046674	554142268	/nfs/dbraw/zinc/14/22/68/554142268.db2.gz	YPJLVMIFGKAENO-NDEPHWFRSA-N	0	1	569.455	6.510	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(Br)c3)cc2)c1	ZINC000098046675	554142277	/nfs/dbraw/zinc/14/22/77/554142277.db2.gz	HMIJEMRUCHMAQH-MUUNZHRXSA-N	0	1	586.486	6.202	50	30		KKEAMN
Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000098046667	554142307	/nfs/dbraw/zinc/14/23/07/554142307.db2.gz	NDZRBTZSUMVPGL-SSEXGKCCSA-N	0	1	540.660	5.183	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(O)cc2)nc1C	ZINC000098046695	554142387	/nfs/dbraw/zinc/14/23/87/554142387.db2.gz	OYZOXOGNEPPRDN-RUZDIDTESA-N	0	1	570.623	5.614	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(Br)cc3)cc2)c1	ZINC000098046682	554142492	/nfs/dbraw/zinc/14/24/92/554142492.db2.gz	VGXSYUZFQVISCA-NDEPHWFRSA-N	0	1	569.455	6.510	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000098046713	554142722	/nfs/dbraw/zinc/14/27/22/554142722.db2.gz	HESCSUOHCFFRKI-JOCHJYFZSA-N	0	1	550.061	6.275	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000098047041	554146184	/nfs/dbraw/zinc/14/61/84/554146184.db2.gz	HRMRBOWVMKDRLR-HKBQPEDESA-N	0	1	570.686	5.877	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000098047254	554148375	/nfs/dbraw/zinc/14/83/75/554148375.db2.gz	IMLLLAVAQCDYJE-LJAQVGFWSA-N	0	1	639.730	7.862	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F	ZINC000098047256	554148446	/nfs/dbraw/zinc/14/84/46/554148446.db2.gz	NTHRRUKXTQDSBT-PMERELPUSA-N	0	1	687.746	7.488	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000098047281	554148895	/nfs/dbraw/zinc/14/88/95/554148895.db2.gz	HZFCUJSVENRMJK-RUZDIDTESA-N	0	1	564.660	5.879	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(O)cc2)cc1F	ZINC000098047273	554148916	/nfs/dbraw/zinc/14/89/16/554148916.db2.gz	CKRAADJNCWPBMY-AREMUKBSSA-N	0	1	599.665	6.620	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccnc2)cc1	ZINC000098047352	554149512	/nfs/dbraw/zinc/14/95/12/554149512.db2.gz	IJSQLJCXPXHECP-XMMPIXPASA-N	0	1	593.130	6.841	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(OC)c2)cc1	ZINC000098047346	554149710	/nfs/dbraw/zinc/14/97/10/554149710.db2.gz	VYSZOHXMZXSPCO-AREMUKBSSA-N	0	1	605.713	6.940	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C(C)C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000098047384	554150138	/nfs/dbraw/zinc/15/01/38/554150138.db2.gz	XNGYQYNJDFGEEB-HSZRJFAPSA-N	0	1	537.638	5.641	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000098047401	554150443	/nfs/dbraw/zinc/15/04/43/554150443.db2.gz	JYFMNUMBSMNCDX-PMERELPUSA-N	0	1	678.276	9.015	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCCCC)cc2)cc1	ZINC000098047405	554150651	/nfs/dbraw/zinc/15/06/51/554150651.db2.gz	YOLIEUDFPSCCAL-LJAQVGFWSA-N	0	1	647.794	8.110	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCCC)cc2)cc1	ZINC000098047431	554150987	/nfs/dbraw/zinc/15/09/87/554150987.db2.gz	ZLQVHAHMZLYPMJ-NDEPHWFRSA-N	0	1	633.767	7.720	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000098047451	554151328	/nfs/dbraw/zinc/15/13/28/554151328.db2.gz	UGEMIUZOVBSZDM-LJAQVGFWSA-N	0	1	645.803	7.508	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000098047457	554151391	/nfs/dbraw/zinc/15/13/91/554151391.db2.gz	UGNQMSBNDZAPBE-XIFFEERXSA-N	0	1	677.848	8.680	50	30		KKEAMN
CCCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OC	ZINC000098047498	554151679	/nfs/dbraw/zinc/15/16/79/554151679.db2.gz	NBSXFIGFUSKVPV-YTTGMZPUSA-N	0	1	692.875	8.584	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000098047557	554152714	/nfs/dbraw/zinc/15/27/14/554152714.db2.gz	OXHCHAIZNQBQIK-WJOKGBTCSA-N	0	1	691.847	8.365	50	30		KKEAMN
CCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC	ZINC000098047564	554152776	/nfs/dbraw/zinc/15/27/76/554152776.db2.gz	DKRWGLFVJNDNCI-YTTGMZPUSA-N	0	1	687.884	8.760	50	30		KKEAMN
CCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC	ZINC000098047580	554152989	/nfs/dbraw/zinc/15/29/89/554152989.db2.gz	DROFBQLWWWEWAN-YTTGMZPUSA-N	0	1	705.874	8.899	50	30		KKEAMN
CCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC	ZINC000098047579	554153002	/nfs/dbraw/zinc/15/30/02/554153002.db2.gz	DROFBQLWWWEWAN-JGCGQSQUSA-N	0	1	705.874	8.899	50	30		KKEAMN
CCCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC	ZINC000098047578	554153035	/nfs/dbraw/zinc/15/30/35/554153035.db2.gz	VYYJYGIPNDIVSW-XIFFEERXSA-N	0	1	719.901	9.289	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000098047581	554153148	/nfs/dbraw/zinc/15/31/48/554153148.db2.gz	OOCVJAYQRSCRNV-RUZDIDTESA-N	0	1	620.684	6.840	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000098047604	554153618	/nfs/dbraw/zinc/15/36/18/554153618.db2.gz	FZTGGSADZSMBOO-NDEPHWFRSA-N	0	1	661.802	7.126	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000098047681	554154412	/nfs/dbraw/zinc/15/44/12/554154412.db2.gz	OXABTBKSVYBTEB-RUZDIDTESA-N	0	1	626.587	8.099	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc(Br)c2)cc1Cl	ZINC000098047687	554154423	/nfs/dbraw/zinc/15/44/23/554154423.db2.gz	NQWROGBZDQLMPB-JOCHJYFZSA-N	0	1	536.850	5.895	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047721	554154778	/nfs/dbraw/zinc/15/47/78/554154778.db2.gz	CTLFIHCIURAWPV-WJOKGBTCSA-N	0	1	669.800	8.483	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC	ZINC000098047716	554154832	/nfs/dbraw/zinc/15/48/32/554154832.db2.gz	DOEBYSNKOXOLEX-YTTGMZPUSA-N	0	1	699.826	8.492	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047714	554154889	/nfs/dbraw/zinc/15/48/89/554154889.db2.gz	IMUACJDCDWPGHH-LJAQVGFWSA-N	0	1	639.730	7.479	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047733	554155279	/nfs/dbraw/zinc/15/52/79/554155279.db2.gz	UZQUCIKCKFETDO-GDLZYMKVSA-N	0	1	641.746	7.703	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1F	ZINC000098047728	554155325	/nfs/dbraw/zinc/15/53/25/554155325.db2.gz	HDDUMLQWFVPTBA-NDEPHWFRSA-N	0	1	643.718	6.931	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cc(Br)c(O)c(OC)c2)cc1	ZINC000098047845	554156586	/nfs/dbraw/zinc/15/65/86/554156586.db2.gz	VENHRUMRZMUKQF-JOCHJYFZSA-N	0	1	540.366	5.100	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(Cl)c2)cc1F	ZINC000098047828	554156605	/nfs/dbraw/zinc/15/66/05/554156605.db2.gz	GGFWZYXPWXRQLR-SANMLTNESA-N	0	1	602.112	7.867	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000098050347	554173881	/nfs/dbraw/zinc/17/38/81/554173881.db2.gz	PGFWZYPIZUXBLH-NRFANRHFSA-N	0	1	539.009	5.548	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)cc1C	ZINC000098050343	554173976	/nfs/dbraw/zinc/17/39/76/554173976.db2.gz	GLHYEIXFTQQNJD-NRFANRHFSA-N	0	1	539.009	5.548	50	30		KKEAMN
C=CCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC	ZINC000036301887	554211971	/nfs/dbraw/zinc/21/19/71/554211971.db2.gz	AZVMHFPGFGBOLN-HSZRJFAPSA-N	0	1	500.039	5.411	50	30		KKEAMN
O=C(c1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000100141999	554228152	/nfs/dbraw/zinc/22/81/52/554228152.db2.gz	QQFWVDUPIOHYTC-OLILMLBXSA-N	0	1	529.423	7.801	50	30		KKEAMN
COc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2ccccc2OC)cc1	ZINC000100143004	554229195	/nfs/dbraw/zinc/22/91/95/554229195.db2.gz	TZQBKHSQDKKAEH-GEFUHLBYSA-N	0	1	535.600	6.903	50	30		KKEAMN
CC[C@@H](C)c1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4C#N)c(Br)c3)C(=O)NC2=S)cc1	ZINC000100156512	554233135	/nfs/dbraw/zinc/23/31/35/554233135.db2.gz	QQVFZSILAPDWID-SDCZFJSOSA-N	0	1	574.500	6.245	50	30		KKEAMN
CCCCCCCCCCCCCCCC(=O)NC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC	ZINC000038143156	554265453	/nfs/dbraw/zinc/26/54/53/554265453.db2.gz	GLZQVYDFXUECNY-DEOSSOPVSA-O	0	1	509.689	5.439	50	30	in-vitro	KKEAMN
CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	ZINC000044459992	554302057	/nfs/dbraw/zinc/30/20/57/554302057.db2.gz	LOIMSBNQCOCWBD-BMWXWXOGSA-N	0	1	685.220	9.541	50	30		KKEAMN
Cc1ccc(Nc2nc(N=NCc3cc(Br)cc(Br)c3O)nc(N3CCOCC3)n2)cc1Cl	ZINC000049808664	554326175	/nfs/dbraw/zinc/32/61/75/554326175.db2.gz	GGNLKUAQURGZOJ-OPEKNORGSA-N	0	1	597.699	5.090	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000049918057	554327100	/nfs/dbraw/zinc/32/71/00/554327100.db2.gz	SXKFJWGUZMQKMG-ZOYWYXQUSA-N	0	1	546.598	6.827	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000053290014	554331266	/nfs/dbraw/zinc/33/12/66/554331266.db2.gz	FEJVJPNJRHKFME-LJQANCHMSA-N	0	1	547.416	5.645	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1	ZINC000053292290	554332370	/nfs/dbraw/zinc/33/23/70/554332370.db2.gz	JOFGGFIZXJNGRG-XMMPIXPASA-N	0	1	535.021	6.530	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000053305844	554332825	/nfs/dbraw/zinc/33/28/25/554332825.db2.gz	IPPYSMWNSXICDU-JOCHJYFZSA-N	0	1	535.965	6.040	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000053306243	554333599	/nfs/dbraw/zinc/33/35/99/554333599.db2.gz	BGYKPFGTLJZUAJ-HSZRJFAPSA-N	0	1	531.546	5.395	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000053306666	554334327	/nfs/dbraw/zinc/33/43/27/554334327.db2.gz	WZEAMWYWJGYBCA-OAQYLSRUSA-N	0	1	583.460	5.657	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)c(C)c1	ZINC000053306953	554334747	/nfs/dbraw/zinc/33/47/47/554334747.db2.gz	FDGMZIFQGVDEFR-VWLOTQADSA-N	0	1	535.438	6.110	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Br)cc1	ZINC000053307142	554334834	/nfs/dbraw/zinc/33/48/34/554334834.db2.gz	ITBGOPCBUUUPPR-SANMLTNESA-N	0	1	549.465	5.476	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Br)cc1	ZINC000053307142	554334836	/nfs/dbraw/zinc/33/48/36/554334836.db2.gz	ITBGOPCBUUUPPR-SANMLTNESA-N	0	1	549.465	5.476	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000053306954	554334844	/nfs/dbraw/zinc/33/48/44/554334844.db2.gz	JANFJLQACDDVHJ-QHCPKHFHSA-N	0	1	531.546	5.395	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Br)c2)nc1C	ZINC000053307277	554335161	/nfs/dbraw/zinc/33/51/61/554335161.db2.gz	QOGBBBLDPOVOHI-HXUWFJFHSA-N	0	1	571.449	5.491	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(Br)cc1)c1ccc(Br)cc1	ZINC000053307671	554335453	/nfs/dbraw/zinc/33/54/53/554335453.db2.gz	GYBOOIGZHWCERQ-FQEVSTJZSA-N	0	1	545.231	5.077	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1	ZINC000053319123	554335866	/nfs/dbraw/zinc/33/58/66/554335866.db2.gz	FENKUHQYKAQWMP-QFIPXVFZSA-N	0	1	537.410	6.598	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(Br)c2)nc1C	ZINC000053319097	554335960	/nfs/dbraw/zinc/33/59/60/554335960.db2.gz	KRQPUWMXTKLLDP-LJQANCHMSA-N	0	1	557.422	5.101	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)ccc1OCc1ccccc1	ZINC000053319187	554336599	/nfs/dbraw/zinc/33/65/99/554336599.db2.gz	UAUPIITZAUFBIS-MUUNZHRXSA-N	0	1	569.455	6.510	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000053319349	554337313	/nfs/dbraw/zinc/33/73/13/554337313.db2.gz	IBYSMJGJRJAVLP-NRFANRHFSA-N	0	1	551.577	5.025	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000053319367	554337629	/nfs/dbraw/zinc/33/76/29/554337629.db2.gz	JIAXPXPPHWDXHU-LJQANCHMSA-N	0	1	547.416	5.645	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000053319367	554337627	/nfs/dbraw/zinc/33/76/27/554337627.db2.gz	JIAXPXPPHWDXHU-LJQANCHMSA-N	0	1	547.416	5.645	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000053319451	554338235	/nfs/dbraw/zinc/33/82/35/554338235.db2.gz	OLAXROQSGULNRN-NRFANRHFSA-N	0	1	573.454	6.201	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000053332833	554339045	/nfs/dbraw/zinc/33/90/45/554339045.db2.gz	CLJYVZNARKAVQD-LFPIHBKWSA-N	0	1	533.005	6.065	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000053335306	554341150	/nfs/dbraw/zinc/34/11/50/554341150.db2.gz	XEIZTVGACLRNCD-DEOSSOPVSA-N	0	1	549.004	5.903	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000053337356	554342067	/nfs/dbraw/zinc/34/20/67/554342067.db2.gz	RVFBZUUSSBOFIF-MQNRADLISA-N	0	1	591.483	6.564	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000053337885	554342393	/nfs/dbraw/zinc/34/23/93/554342393.db2.gz	HFVOJCAJLVCJFD-HSZRJFAPSA-N	0	1	534.977	5.512	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2	ZINC000053338742	554342861	/nfs/dbraw/zinc/34/28/61/554342861.db2.gz	KRLVJZGMFUJUKE-JOCHJYFZSA-N	0	1	549.948	5.412	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000053339904	554343894	/nfs/dbraw/zinc/34/38/94/554343894.db2.gz	UGGMAUWYQQHSKB-SXBQZSJRSA-N	0	1	581.477	7.108	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000053340438	554344236	/nfs/dbraw/zinc/34/42/36/554344236.db2.gz	KWUCMKWMFUQMTQ-OAQYLSRUSA-N	0	1	538.603	5.175	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1OC	ZINC000053359615	554344982	/nfs/dbraw/zinc/34/49/82/554344982.db2.gz	RZVXFMYOFMTGIN-QCBOHVIISA-N	0	1	579.096	7.880	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000053359639	554345299	/nfs/dbraw/zinc/34/52/99/554345299.db2.gz	IBKWWBSFNCQSPU-GPNASLBKSA-N	0	1	540.635	7.093	50	30		KKEAMN
COc1ccc(Nc2nc(N=NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)nc(NCc3ccco3)n2)cc1	ZINC000100527632	554410200	/nfs/dbraw/zinc/41/02/00/554410200.db2.gz	CYKQRJSFDZAZDM-LQKURTRISA-N	0	1	526.513	5.443	50	30		KKEAMN
CN(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000059641070	554416763	/nfs/dbraw/zinc/41/67/63/554416763.db2.gz	QAGIXCRBQCTUHQ-NDEPHWFRSA-N	0	1	549.502	7.908	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC	ZINC000100677774	554444901	/nfs/dbraw/zinc/44/49/01/554444901.db2.gz	HPGVKSGTQRDQIH-MHZLTWQESA-N	0	1	622.740	6.778	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000100678338	554444930	/nfs/dbraw/zinc/44/49/30/554444930.db2.gz	HWYCZCRKQABHDR-SANMLTNESA-N	0	1	608.713	6.243	50	30		KKEAMN
CCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC	ZINC000100677761	554445072	/nfs/dbraw/zinc/44/50/72/554445072.db2.gz	WDECYXKUTDQVRG-SANMLTNESA-N	0	1	610.704	6.826	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000100679427	554445283	/nfs/dbraw/zinc/44/52/83/554445283.db2.gz	QXUXFTMTSIADJG-DEOSSOPVSA-N	0	1	580.659	5.607	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000100679885	554445649	/nfs/dbraw/zinc/44/56/49/554445649.db2.gz	JUSQYVHEPVSVML-VWLOTQADSA-N	0	1	576.671	6.155	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC	ZINC000100679939	554445981	/nfs/dbraw/zinc/44/59/81/554445981.db2.gz	GPHVIAZOOPJJOW-AREMUKBSSA-N	0	1	606.697	6.163	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCCC)cc2)nc1C	ZINC000100680388	554446667	/nfs/dbraw/zinc/44/66/67/554446667.db2.gz	HJOCTBZTLYXUMC-HHHXNRCGSA-N	0	1	604.725	6.935	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(O)c(OCC)c2)nc1C	ZINC000100680675	554446687	/nfs/dbraw/zinc/44/66/87/554446687.db2.gz	FWEPEOVLKCMWGL-RUZDIDTESA-N	0	1	592.670	5.860	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000100681089	554447201	/nfs/dbraw/zinc/44/72/01/554447201.db2.gz	JKYHNCRWTDENEE-OAQYLSRUSA-N	0	1	575.470	6.507	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(F)c2)cc1	ZINC000100681017	554447213	/nfs/dbraw/zinc/44/72/13/554447213.db2.gz	ZHEXPEKUAAPQKE-JOCHJYFZSA-N	0	1	538.597	5.729	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000100681439	554447505	/nfs/dbraw/zinc/44/75/05/554447505.db2.gz	YBGOHABOYLVKKK-FQEVSTJZSA-N	0	1	526.973	5.678	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000100681473	554447843	/nfs/dbraw/zinc/44/78/43/554447843.db2.gz	KEFDCBSJFMVLBF-HXUWFJFHSA-N	0	1	571.424	5.787	50	30		KKEAMN
CN1CCc2c(sc(/N=C\c3cc(Br)cc(Br)c3O)c2C(=O)OC(C)(C)C)C1	ZINC000100771380	554471386	/nfs/dbraw/zinc/47/13/86/554471386.db2.gz	ZUKRFAFOYSCTIR-AQHIEDMUSA-N	0	1	530.282	5.673	50	30		KKEAMN
CCOc1ccc(S(=O)(=O)N=C2CC(=Nc3ccc(Br)cc3)C(=O)c3ccccc32)cc1	ZINC000100822397	554481138	/nfs/dbraw/zinc/48/11/38/554481138.db2.gz	QRANTJCDPDQQEZ-QYQHSDTDSA-N	0	1	511.397	5.218	50	30		KKEAMN
CCCCCCCCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S	ZINC000100884272	554508178	/nfs/dbraw/zinc/50/81/78/554508178.db2.gz	OUVHVQXKMKBSMB-XTCLZLMSSA-N	0	1	575.804	5.578	50	30		KKEAMN
Cc1ccc(/N=C2/c3ccccc3N(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1Cl	ZINC000101051084	554568683	/nfs/dbraw/zinc/56/86/83/554568683.db2.gz	IKMLUDLWYVZIFJ-LLZINOMRSA-N	0	1	535.091	6.481	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1	ZINC000101062637	554570684	/nfs/dbraw/zinc/57/06/84/554570684.db2.gz	MNRZSZBJIIKHHZ-NHFXJNLRSA-N	0	1	526.343	5.269	50	30		KKEAMN
CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000101069800	554574484	/nfs/dbraw/zinc/57/44/84/554574484.db2.gz	SJRVUQOZJUOZDX-HOGKFDNTSA-N	0	1	510.771	5.931	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Br)cc1	ZINC000101072282	554575874	/nfs/dbraw/zinc/57/58/74/554575874.db2.gz	CNYHKGPUJBDMPJ-MIOXIQPJSA-N	0	1	605.529	5.481	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Br)cc1	ZINC000101072283	554575984	/nfs/dbraw/zinc/57/59/84/554575984.db2.gz	CNYHKGPUJBDMPJ-WGGXKBPPSA-N	0	1	605.529	5.481	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000101072836	554576614	/nfs/dbraw/zinc/57/66/14/554576614.db2.gz	LHWNJMXHKUMHSU-LFVOPCPISA-N	0	1	511.422	6.055	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)nc2c(C)c1	ZINC000101100208	554587115	/nfs/dbraw/zinc/58/71/15/554587115.db2.gz	VJEOYVDWWSUJNM-IAMBOQNYSA-N	0	1	537.410	6.441	50	30		KKEAMN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Br)c2)sc1C	ZINC000101100201	554587166	/nfs/dbraw/zinc/58/71/66/554587166.db2.gz	FIMYYOISEQLWDA-GHNGSUTGSA-N	0	1	503.805	5.802	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)ccc1OCc1ccccc1	ZINC000101101124	554588045	/nfs/dbraw/zinc/58/80/45/554588045.db2.gz	HTFHKLCZQXKMMI-MIOXIQPJSA-N	0	1	605.529	5.481	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2	ZINC000101101540	554638762	/nfs/dbraw/zinc/63/87/62/554638762.db2.gz	VNUFXSJKPBOSAL-MOBKVPTQSA-N	0	1	583.847	6.110	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCC=C)c(OCC)c2)nc1C	ZINC000101276833	554703549	/nfs/dbraw/zinc/70/35/49/554703549.db2.gz	SPFVGAOJEUVWQT-CJJGVWJISA-N	0	1	618.664	5.155	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000101316895	554724145	/nfs/dbraw/zinc/72/41/45/554724145.db2.gz	OXKIEFSDSZCXRX-NGAXIMOQSA-N	0	1	597.718	6.345	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000101316973	554724336	/nfs/dbraw/zinc/72/43/36/554724336.db2.gz	XPIZKVVEMNGGDW-JVJOXMINSA-N	0	1	615.708	6.484	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000101338220	554734846	/nfs/dbraw/zinc/73/48/46/554734846.db2.gz	JNSMYSZVJDIXKA-QHCPKHFHSA-N	0	1	610.088	6.501	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccccc2F)cc1F	ZINC000101344533	554736806	/nfs/dbraw/zinc/73/68/06/554736806.db2.gz	BZVDZLTYPOPIMQ-AREMUKBSSA-N	0	1	585.657	7.353	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccccc2F)cc1F	ZINC000101344535	554736827	/nfs/dbraw/zinc/73/68/27/554736827.db2.gz	BZVDZLTYPOPIMQ-SANMLTNESA-N	0	1	585.657	7.353	50	30		KKEAMN
CCCOC(=O)c1cc(/N=C/c2cc(Br)cc(Br)c2O)ccc1N1CCOCC1	ZINC000101348091	554737617	/nfs/dbraw/zinc/73/76/17/554737617.db2.gz	RVCFVFOWNLXPJH-ZMOGYAJESA-N	0	1	526.225	5.071	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000102076455	554874527	/nfs/dbraw/zinc/87/45/27/554874527.db2.gz	HTCUYWYBNIZESF-QOISPNJLSA-N	0	1	525.645	6.099	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102484087	554937678	/nfs/dbraw/zinc/93/76/78/554937678.db2.gz	UPONJHGEEXOERW-HOGKFDNTSA-N	0	1	508.958	6.114	50	30		KKEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)c1	ZINC000102484987	554938014	/nfs/dbraw/zinc/93/80/14/554938014.db2.gz	LUIQCLQBUUEKDA-HOGKFDNTSA-N	0	1	541.398	5.378	50	30		KKEAMN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)no1	ZINC000102487386	554938538	/nfs/dbraw/zinc/93/85/38/554938538.db2.gz	KKPWPNRCCUCTKS-IUKMQXEJSA-N	0	1	500.938	5.842	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000102488937	554938818	/nfs/dbraw/zinc/93/88/18/554938818.db2.gz	VIPDPBREHCPCFI-HOGKFDNTSA-N	0	1	551.418	5.702	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3OC)sc2c1	ZINC000102491322	554939471	/nfs/dbraw/zinc/93/94/71/554939471.db2.gz	HSYXSTMMMXKYOU-AYWGPLOBSA-N	0	1	504.539	5.469	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000102492902	554939651	/nfs/dbraw/zinc/93/96/51/554939651.db2.gz	NFGPANVWQHVKPP-MOBKVPTQSA-N	0	1	506.967	5.593	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC	ZINC000102495367	554940372	/nfs/dbraw/zinc/94/03/72/554940372.db2.gz	GOUSCDLTFYJBLA-JBCNATCCSA-N	0	1	524.957	5.732	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1	ZINC000102496138	554940606	/nfs/dbraw/zinc/94/06/06/554940606.db2.gz	JMUZLPSQYUDVLF-AHPONGEQSA-N	0	1	596.650	9.661	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000102497590	554941284	/nfs/dbraw/zinc/94/12/84/554941284.db2.gz	AJWILOZBGBPUAV-AYWGPLOBSA-N	0	1	565.445	6.092	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000102497626	554941306	/nfs/dbraw/zinc/94/13/06/554941306.db2.gz	DLIKPPISLSMYPZ-NBXYUPGTSA-N	0	1	565.622	6.203	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000102497599	554941341	/nfs/dbraw/zinc/94/13/41/554941341.db2.gz	AJWILOZBGBPUAV-ZHHPLPSFSA-N	0	1	565.445	6.092	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Br)cc1	ZINC000102499560	554942182	/nfs/dbraw/zinc/94/21/82/554942182.db2.gz	DWSQEYQKBKTOPU-ZORLYMSLSA-N	0	1	612.649	9.361	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000102501941	554943435	/nfs/dbraw/zinc/94/34/35/554943435.db2.gz	JDXFZPCPWOBLIZ-JBCNATCCSA-N	0	1	511.386	6.238	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102502732	554943707	/nfs/dbraw/zinc/94/37/07/554943707.db2.gz	KWOQPAOUNJQGLP-QJGFIUGVSA-N	0	1	527.617	5.819	50	30		KKEAMN
CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000102503810	554943969	/nfs/dbraw/zinc/94/39/69/554943969.db2.gz	JZQXYEVOUFGJNQ-AHPONGEQSA-N	0	1	554.687	5.280	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000102505229	554944284	/nfs/dbraw/zinc/94/42/84/554944284.db2.gz	QTMYWBGRMDIQDA-MIOXIQPJSA-N	0	1	527.661	6.330	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1	ZINC000102508747	554945676	/nfs/dbraw/zinc/94/56/76/554945676.db2.gz	AQEPKBAHDBFNEY-IUKMQXEJSA-N	0	1	500.507	5.098	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2F)cc1	ZINC000102514967	554947653	/nfs/dbraw/zinc/94/76/53/554947653.db2.gz	IKJUZZKYWIKVJV-MRJHHRETSA-N	0	1	524.570	5.182	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000102517472	554948482	/nfs/dbraw/zinc/94/84/82/554948482.db2.gz	JTCZLOPLZBGZBX-DFXXOVSGSA-N	0	1	628.703	6.159	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000102517814	554948729	/nfs/dbraw/zinc/94/87/29/554948729.db2.gz	WNCYMIDKVXSZLW-KFLIVHAJSA-N	0	1	642.675	9.369	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102519062	554949023	/nfs/dbraw/zinc/94/90/23/554949023.db2.gz	ONOGOGKPMIJYFT-JBCNATCCSA-N	0	1	555.837	6.347	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1	ZINC000102519146	554949357	/nfs/dbraw/zinc/94/93/57/554949357.db2.gz	JBVXFGAPAAZEOO-QOJBNDRUSA-N	0	1	515.443	6.908	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102520623	554949668	/nfs/dbraw/zinc/94/96/68/554949668.db2.gz	WVYJHNJDLOUMPO-MRJHHRETSA-N	0	1	539.382	5.833	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102526048	554951878	/nfs/dbraw/zinc/95/18/78/554951878.db2.gz	OQFPNLUCEJIRBD-VDBNUPDGSA-N	0	1	555.671	6.600	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(F)cc3)sc2c1	ZINC000102525531	554951957	/nfs/dbraw/zinc/95/19/57/554951957.db2.gz	RVXIVDUNPJAPIQ-AYWGPLOBSA-N	0	1	504.539	5.469	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000102529944	554953444	/nfs/dbraw/zinc/95/34/44/554953444.db2.gz	SDRHGBNICKOYJR-NXLSWJSLSA-N	0	1	534.565	5.478	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCOC)cc1	ZINC000102530190	554953695	/nfs/dbraw/zinc/95/36/95/554953695.db2.gz	BHSIDCXIISPMHL-TXTDGAROSA-N	0	1	515.606	5.431	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000102533603	554955041	/nfs/dbraw/zinc/95/50/41/554955041.db2.gz	IZKBPPGLCPMLBM-JVJOXMINSA-N	0	1	517.578	5.412	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000102543213	554958213	/nfs/dbraw/zinc/95/82/13/554958213.db2.gz	QWLSKZDKAPHNSN-HUVRIODYSA-N	0	1	575.661	6.262	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000102546867	554959714	/nfs/dbraw/zinc/95/97/14/554959714.db2.gz	LVOZOFLAAJFTJN-FSDXSRJSSA-N	0	1	589.670	5.928	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1	ZINC000102548924	554960583	/nfs/dbraw/zinc/96/05/83/554960583.db2.gz	ABRLQZFVXMEBCH-FECHNCLXSA-N	0	1	565.420	6.148	50	30		KKEAMN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000102552984	554962803	/nfs/dbraw/zinc/96/28/03/554962803.db2.gz	SRMCSQULUMKDJZ-MOBKVPTQSA-N	0	1	551.349	5.160	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000102552792	554962830	/nfs/dbraw/zinc/96/28/30/554962830.db2.gz	WONYJSPSLHICTQ-MWCANZRFSA-N	0	1	599.690	5.567	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000102553024	554962876	/nfs/dbraw/zinc/96/28/76/554962876.db2.gz	SHFMUUYGXZQQLT-KFLIVHAJSA-N	0	1	579.778	8.312	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1	ZINC000102553153	554963199	/nfs/dbraw/zinc/96/31/99/554963199.db2.gz	QBHICTFJFNYUIX-QMMFTLRZSA-N	0	1	582.623	9.352	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000102555127	554964039	/nfs/dbraw/zinc/96/40/39/554964039.db2.gz	UXMPFWXDLRWTFH-QMMFTLRZSA-N	0	1	572.617	9.896	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000102561532	554968344	/nfs/dbraw/zinc/96/83/44/554968344.db2.gz	VPVRXRPRWLBCRC-ZORLYMSLSA-N	0	1	571.670	5.946	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000102562462	554968649	/nfs/dbraw/zinc/96/86/49/554968649.db2.gz	DPIIJOYCKVMVNF-NPJIAGGLSA-N	0	1	563.031	6.136	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102563412	554968896	/nfs/dbraw/zinc/96/88/96/554968896.db2.gz	BLYHBIIIFSMMKQ-FSISNWKMSA-N	0	1	577.456	6.017	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000102580244	554972192	/nfs/dbraw/zinc/97/21/92/554972192.db2.gz	BUHRNTXPCZGUPO-ZHHPLPSFSA-N	0	1	612.516	6.535	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000102581880	554972672	/nfs/dbraw/zinc/97/26/72/554972672.db2.gz	VPNFQZKSJMTAAS-SBXHHDGASA-N	0	1	608.097	5.890	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000102591476	554974213	/nfs/dbraw/zinc/97/42/13/554974213.db2.gz	LREPNWJIZRERQB-IUKMQXEJSA-N	0	1	622.124	6.280	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000102592904	554974442	/nfs/dbraw/zinc/97/44/42/554974442.db2.gz	KSFVKWCVIQHPBL-TXTDGAROSA-N	0	1	535.556	5.499	50	30		KKEAMN
O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)C1=C(O)C(=Cc2ccco2)CCC1	ZINC000102597428	554977017	/nfs/dbraw/zinc/97/70/17/554977017.db2.gz	LNWFOZSQLNZJSJ-VKDDHYRNSA-N	0	1	524.400	5.733	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000102597757	554977101	/nfs/dbraw/zinc/97/71/01/554977101.db2.gz	RWDZHHAUIVRIPK-NXLSWJSLSA-N	0	1	619.652	5.154	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2	ZINC000102600269	554977610	/nfs/dbraw/zinc/97/76/10/554977610.db2.gz	KIQHEXZFZPIQGH-AYWGPLOBSA-N	0	1	577.615	5.073	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc1OC	ZINC000102606086	554978875	/nfs/dbraw/zinc/97/88/75/554978875.db2.gz	MDOXMGKFDWYYDC-MYYSRTQBSA-N	0	1	535.622	5.140	50	30		KKEAMN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000102607177	554979886	/nfs/dbraw/zinc/97/98/86/554979886.db2.gz	QLZAZYCRLSAQCF-CJJGVWJISA-N	0	1	585.707	6.351	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000102608802	554980529	/nfs/dbraw/zinc/98/05/29/554980529.db2.gz	QXAIZQWVOSSERS-WRPQUVRJSA-N	0	1	594.089	6.573	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C	ZINC000102615855	554984359	/nfs/dbraw/zinc/98/43/59/554984359.db2.gz	DWBZJNOTACKMTQ-ONQGDUAMSA-N	0	1	582.634	5.631	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000102621265	554987141	/nfs/dbraw/zinc/98/71/41/554987141.db2.gz	RRJRXYUKRBHSHM-TXTDGAROSA-N	0	1	629.760	6.715	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000102644699	554991690	/nfs/dbraw/zinc/99/16/90/554991690.db2.gz	POSVLZQYGIGQFD-VTVSLZSGSA-N	0	1	511.618	5.853	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000102645053	554991965	/nfs/dbraw/zinc/99/19/65/554991965.db2.gz	BSUDCSNARKTNDZ-YELMDPSYSA-N	0	1	525.645	6.243	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000102646124	554992426	/nfs/dbraw/zinc/99/24/26/554992426.db2.gz	BFTOXOJLTSAYOJ-AMKIGSDESA-N	0	1	503.551	5.022	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000102646566	554992717	/nfs/dbraw/zinc/99/27/17/554992717.db2.gz	UGEXIGFWZBLFFB-VMFRQMAUSA-N	0	1	513.590	5.082	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000102648502	554994035	/nfs/dbraw/zinc/99/40/35/554994035.db2.gz	HQUFSXRBMCOSMU-VDBNUPDGSA-N	0	1	531.608	6.467	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCCCC)c2)nc1C	ZINC000102652703	554996841	/nfs/dbraw/zinc/99/68/41/554996841.db2.gz	NDLPCZAVICQZPR-CZNAVJSXSA-N	0	1	604.681	5.761	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1	ZINC000102653362	554997218	/nfs/dbraw/zinc/99/72/18/554997218.db2.gz	JJQBQLNPHNFHHE-KNZGKXHUSA-N	0	1	516.550	5.394	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)ccc1OCCC(C)C	ZINC000102655415	554998367	/nfs/dbraw/zinc/99/83/67/554998367.db2.gz	BZSFQZUWEQNIGH-LODGOHBISA-N	0	1	537.653	5.292	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000102660271	555000208	/nfs/dbraw/zinc/00/02/08/555000208.db2.gz	RKHMZLNNNWTEFP-BBHOXHGRSA-N	0	1	594.089	6.573	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(O)c3)ccc2O1	ZINC000102673382	555003077	/nfs/dbraw/zinc/00/30/77/555003077.db2.gz	IHAFYXDHGXPMTC-HALAOQOWSA-N	0	1	592.098	6.139	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000102699286	555012409	/nfs/dbraw/zinc/01/24/09/555012409.db2.gz	MCRPZUYMIDHYMF-ZHHPLPSFSA-N	0	1	534.590	5.412	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(Cl)c3)cc2)c1	ZINC000102714946	555018281	/nfs/dbraw/zinc/01/82/81/555018281.db2.gz	RODRGXROYRSMTK-TXTDGAROSA-N	0	1	542.035	5.936	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102722578	555020699	/nfs/dbraw/zinc/02/06/99/555020699.db2.gz	SWGCEHWJSRNVME-MOBKVPTQSA-N	0	1	537.410	6.387	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102723962	555020999	/nfs/dbraw/zinc/02/09/99/555020999.db2.gz	KQCPJNDNCJMZBX-HOGKFDNTSA-N	0	1	509.414	6.792	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000102730867	555023489	/nfs/dbraw/zinc/02/34/89/555023489.db2.gz	TZEUAAWMQKMXIR-ONQGDUAMSA-N	0	1	524.529	5.697	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccccc3)cc2)c1	ZINC000102732654	555024109	/nfs/dbraw/zinc/02/41/09/555024109.db2.gz	LEFIEPZREBRZGL-DFXXOVSGSA-N	0	1	507.590	5.283	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3cccc(Cl)c3)cc2)c1	ZINC000102732974	555024324	/nfs/dbraw/zinc/02/43/24/555024324.db2.gz	WUOFMUXVIGZTKY-CZNAVJSXSA-N	0	1	505.014	5.211	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3cccc(Cl)c3)cc2)c1	ZINC000102732974	555024326	/nfs/dbraw/zinc/02/43/26/555024326.db2.gz	WUOFMUXVIGZTKY-CZNAVJSXSA-N	0	1	505.014	5.211	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000102735297	555025267	/nfs/dbraw/zinc/02/52/67/555025267.db2.gz	XESKBVLAHZYSNK-GYBOJBDRSA-N	0	1	531.608	6.211	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000102735615	555025780	/nfs/dbraw/zinc/02/57/80/555025780.db2.gz	AQEXSDXEEVLINK-XLNMUAQOSA-N	0	1	504.514	5.524	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102736985	555026446	/nfs/dbraw/zinc/02/64/46/555026446.db2.gz	UXLVVDZMFOWANP-JRPVAJNPSA-N	0	1	557.584	5.553	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102736966	555026482	/nfs/dbraw/zinc/02/64/82/555026482.db2.gz	TWAIIZIRKRLBJO-GMBUILNLSA-N	0	1	543.557	5.163	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1	ZINC000102736928	555026532	/nfs/dbraw/zinc/02/65/32/555026532.db2.gz	FGDSXLUFVPIPLJ-KYWXLPDZSA-N	0	1	547.976	5.808	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1	ZINC000102771065	555059404	/nfs/dbraw/zinc/05/94/04/555059404.db2.gz	PVQYELIFUBRXEV-KYWXLPDZSA-N	0	1	520.969	6.039	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)s2)cc1	ZINC000102771300	555060045	/nfs/dbraw/zinc/06/00/45/555060045.db2.gz	BQXRHKGOCCDQNE-NEMSTITPSA-N	0	1	590.126	6.742	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(C)cc1	ZINC000102858079	555089230	/nfs/dbraw/zinc/08/92/30/555089230.db2.gz	DTGNGLLZFKEGDE-AHPONGEQSA-N	0	1	596.650	9.661	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000102861068	555091266	/nfs/dbraw/zinc/09/12/66/555091266.db2.gz	AMNFSNAOCTYPLR-JLPDLQRYSA-N	0	1	501.579	5.794	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102860786	555091295	/nfs/dbraw/zinc/09/12/95/555091295.db2.gz	UHPSVPVHAUESMW-AYWGPLOBSA-N	0	1	531.546	5.238	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102863453	555093293	/nfs/dbraw/zinc/09/32/93/555093293.db2.gz	UAXWDUHMRAJIOH-JBCNATCCSA-N	0	1	539.407	5.985	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102863453	555093295	/nfs/dbraw/zinc/09/32/95/555093295.db2.gz	UAXWDUHMRAJIOH-JBCNATCCSA-N	0	1	539.407	5.985	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000102866336	555095429	/nfs/dbraw/zinc/09/54/29/555095429.db2.gz	DKEJIBOAHHVEID-DNNDWWBDSA-N	0	1	542.632	5.605	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000102866329	555095479	/nfs/dbraw/zinc/09/54/79/555095479.db2.gz	DKEJIBOAHHVEID-QBCYBHDASA-N	0	1	542.632	5.605	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1	ZINC000102866474	555095763	/nfs/dbraw/zinc/09/57/63/555095763.db2.gz	IRFXXINMGHTIPN-YQYJTONYSA-N	0	1	618.730	6.510	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000102866592	555096137	/nfs/dbraw/zinc/09/61/37/555096137.db2.gz	ISWAJVXYKNACPZ-AHPONGEQSA-N	0	1	570.686	5.117	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(OCc2ccccc2)c1	ZINC000102868092	555097529	/nfs/dbraw/zinc/09/75/29/555097529.db2.gz	IQMLOSDIHJWWDH-ZORLYMSLSA-N	0	1	547.607	5.701	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1	ZINC000102868128	555097591	/nfs/dbraw/zinc/09/75/91/555097591.db2.gz	BQFJQTSJPSOERR-YDJIHCHBSA-N	0	1	547.630	6.491	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(OCc2ccccc2)c1	ZINC000102868089	555097595	/nfs/dbraw/zinc/09/75/95/555097595.db2.gz	IQMLOSDIHJWWDH-AHPONGEQSA-N	0	1	547.607	5.701	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1	ZINC000102868260	555098008	/nfs/dbraw/zinc/09/80/08/555098008.db2.gz	UKEWEEPYOUHBLJ-VEZPTTSMSA-N	0	1	582.623	9.352	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102869212	555098612	/nfs/dbraw/zinc/09/86/12/555098612.db2.gz	HWNZGBVQPKPOLO-WGGXKBPPSA-N	0	1	543.616	5.310	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102869509	555098821	/nfs/dbraw/zinc/09/88/21/555098821.db2.gz	VJHROUKXINXEAE-YFVVEFNMSA-N	0	1	613.761	6.959	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000102869629	555099187	/nfs/dbraw/zinc/09/91/87/555099187.db2.gz	JNJNJUAKQDAUNX-VEZPTTSMSA-N	0	1	567.594	5.650	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000102870080	555100133	/nfs/dbraw/zinc/10/01/33/555100133.db2.gz	VNCIUXHUBGITPF-VMFRQMAUSA-N	0	1	531.605	5.803	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000102872954	555103542	/nfs/dbraw/zinc/10/35/42/555103542.db2.gz	KGDINQBMIOGYCN-NXLSWJSLSA-N	0	1	544.585	5.117	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000102873705	555104022	/nfs/dbraw/zinc/10/40/22/555104022.db2.gz	ZFGUSFBHIWIYAR-MRJHHRETSA-N	0	1	538.603	5.019	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000102874627	555104835	/nfs/dbraw/zinc/10/48/35/555104835.db2.gz	GPOSVMFWDRDRDI-NHFXJNLRSA-N	0	1	561.443	5.878	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000102874707	555104845	/nfs/dbraw/zinc/10/48/45/555104845.db2.gz	MHBHRDXRXTVGNB-NXLSWJSLSA-N	0	1	564.591	5.486	50	30		KKEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1	ZINC000102876470	555106122	/nfs/dbraw/zinc/10/61/22/555106122.db2.gz	JEBZCXMBBRIJNS-MOBKVPTQSA-N	0	1	524.957	5.732	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl	ZINC000102877191	555106540	/nfs/dbraw/zinc/10/65/40/555106540.db2.gz	ZMZPCMZZBYMBPS-NXLSWJSLSA-N	0	1	508.018	5.355	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000102877893	555107236	/nfs/dbraw/zinc/10/72/36/555107236.db2.gz	XOJOXGDJFTUDKS-SBXHHDGASA-N	0	1	518.566	5.859	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000102877990	555107244	/nfs/dbraw/zinc/10/72/44/555107244.db2.gz	KSUDEAQMIUKZID-YJMWBXFMSA-N	0	1	511.618	6.201	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000102878603	555107789	/nfs/dbraw/zinc/10/77/89/555107789.db2.gz	GZWKYSXLJNKSGY-HVESIFNPSA-N	0	1	503.363	5.171	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1	ZINC000102879079	555108143	/nfs/dbraw/zinc/10/81/43/555108143.db2.gz	AUDKGVBSVVTTQP-MIOXIQPJSA-N	0	1	561.078	5.371	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1	ZINC000102881721	555110087	/nfs/dbraw/zinc/11/00/87/555110087.db2.gz	KWPHZHPCHZAQDX-CJJGVWJISA-N	0	1	530.964	5.850	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1	ZINC000102881723	555110258	/nfs/dbraw/zinc/11/02/58/555110258.db2.gz	KWPHZHPCHZAQDX-CZNAVJSXSA-N	0	1	530.964	5.850	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(OC)c2)cc1	ZINC000102882782	555111163	/nfs/dbraw/zinc/11/11/63/555111163.db2.gz	PTZNZLBNZAIQDZ-ZHHPLPSFSA-N	0	1	504.539	5.469	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102883455	555111709	/nfs/dbraw/zinc/11/17/09/555111709.db2.gz	GJIJGJVOECYPCV-ZHHPLPSFSA-N	0	1	534.977	5.356	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000102884531	555113553	/nfs/dbraw/zinc/11/35/53/555113553.db2.gz	WZDSJZYFPBNZRD-IWUDECAASA-N	0	1	539.009	5.231	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000102885376	555115531	/nfs/dbraw/zinc/11/55/31/555115531.db2.gz	NLKTUMNBVYVAMM-ZORLYMSLSA-N	0	1	552.199	9.551	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OCc2ccccc2)c1	ZINC000102885558	555115660	/nfs/dbraw/zinc/11/56/60/555115660.db2.gz	NSYMHDCOSXHFKB-YREDKMEYSA-N	0	1	513.590	5.047	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1	ZINC000102886093	555116261	/nfs/dbraw/zinc/11/62/61/555116261.db2.gz	LDMFZYRTXJWMSN-ONQGDUAMSA-N	0	1	570.623	5.518	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3cccc(Cl)c3)cc2)c1	ZINC000102886921	555117802	/nfs/dbraw/zinc/11/78/02/555117802.db2.gz	LYZBYQMEQCPQPC-NXLSWJSLSA-N	0	1	517.006	6.310	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000102887305	555118835	/nfs/dbraw/zinc/11/88/35/555118835.db2.gz	BBQMRYCDWAPUOX-ROBPHKHBSA-N	0	1	617.724	6.708	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(O)cc2)o1	ZINC000102887496	555119179	/nfs/dbraw/zinc/11/91/79/555119179.db2.gz	WXFYOHQSEAPWGK-NHFXJNLRSA-N	0	1	505.577	5.064	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000102888261	555121146	/nfs/dbraw/zinc/12/11/46/555121146.db2.gz	FWTOIUXJIIMMQG-PLWHFILJSA-N	0	1	613.717	5.875	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000102888874	555122483	/nfs/dbraw/zinc/12/24/83/555122483.db2.gz	DFIQWXFXKAMDTH-ZLYDLHQSSA-N	0	1	599.734	6.487	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000102888875	555122556	/nfs/dbraw/zinc/12/25/56/555122556.db2.gz	DFIQWXFXKAMDTH-NGAXIMOQSA-N	0	1	599.734	6.487	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1	ZINC000102889175	555123136	/nfs/dbraw/zinc/12/31/36/555123136.db2.gz	FZEBWGZORDTNHW-NPJIAGGLSA-N	0	1	592.670	5.595	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000102889309	555123475	/nfs/dbraw/zinc/12/34/75/555123475.db2.gz	RCMYYDQKANRILW-JBODOUGHSA-N	0	1	576.602	5.411	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C	ZINC000102889329	555123578	/nfs/dbraw/zinc/12/35/78/555123578.db2.gz	ARFBWYBMMUICAY-NPJIAGGLSA-N	0	1	592.670	5.451	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C	ZINC000102889563	555123811	/nfs/dbraw/zinc/12/38/11/555123811.db2.gz	MOEWHYVMYSZBCK-FSDXSRJSSA-N	0	1	592.670	5.375	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102892319	555128499	/nfs/dbraw/zinc/12/84/99/555128499.db2.gz	SHGLAKCPWIJNIY-SBXHHDGASA-N	0	1	559.556	5.001	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102892713	555128982	/nfs/dbraw/zinc/12/89/82/555128982.db2.gz	YXHABXSFOQDFLG-FSISNWKMSA-N	0	1	544.560	5.172	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102892820	555129314	/nfs/dbraw/zinc/12/93/14/555129314.db2.gz	OSVYJVDUWANVJZ-QDMOOSCLSA-N	0	1	567.450	6.561	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102892818	555129330	/nfs/dbraw/zinc/12/93/30/555129330.db2.gz	OSVYJVDUWANVJZ-KGDZIIOTSA-N	0	1	567.450	6.561	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000102893105	555129928	/nfs/dbraw/zinc/12/99/28/555129928.db2.gz	QPJQNKNTCAZHCV-OGHRCCBNSA-N	0	1	617.680	5.706	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC	ZINC000102893408	555130768	/nfs/dbraw/zinc/13/07/68/555130768.db2.gz	CZCLGMGOHAQFNX-VEZPTTSMSA-N	0	1	630.719	6.670	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102894565	555132556	/nfs/dbraw/zinc/13/25/56/555132556.db2.gz	OJGCSHQZMQWPKO-IOUQRVAPSA-N	0	1	585.707	6.179	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000102895725	555134840	/nfs/dbraw/zinc/13/48/40/555134840.db2.gz	ICFCGXWZFNCMMB-GRBPGWBESA-N	0	1	619.139	7.477	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000102895730	555134954	/nfs/dbraw/zinc/13/49/54/555134954.db2.gz	ICFCGXWZFNCMMB-GBIFRDBCSA-N	0	1	619.139	7.477	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)cc1OC	ZINC000102925070	555149448	/nfs/dbraw/zinc/14/94/48/555149448.db2.gz	PLXCAGJPOADPOF-HOGKFDNTSA-N	0	1	541.398	5.378	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102927997	555152831	/nfs/dbraw/zinc/15/28/31/555152831.db2.gz	FBQRBFIIAVDATA-LFVOPCPISA-N	0	1	527.421	5.755	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1	ZINC000102928003	555152865	/nfs/dbraw/zinc/15/28/65/555152865.db2.gz	VSIZTZYZJJHZEO-WGGXKBPPSA-N	0	1	548.595	5.378	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC	ZINC000102928086	555153193	/nfs/dbraw/zinc/15/31/93/555153193.db2.gz	HRKGLTHAFCILPP-ONQGDUAMSA-N	0	1	546.620	5.073	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000102929121	555154720	/nfs/dbraw/zinc/15/47/20/555154720.db2.gz	DEQWBZCLQHZEIN-CZNAVJSXSA-N	0	1	540.443	6.339	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3)sc2c1	ZINC000102931133	555158327	/nfs/dbraw/zinc/15/83/27/555158327.db2.gz	MJVDZLKUQQTOSR-MOBKVPTQSA-N	0	1	506.967	5.593	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)cc1OCC	ZINC000102932510	555159973	/nfs/dbraw/zinc/15/99/73/555159973.db2.gz	PIXXAZXRDKIKOQ-ZLYDLHQSSA-N	0	1	523.626	5.046	50	30		KKEAMN
CCCCCCCCOc1ccc([C@H](CC(=O)OC)c2c(=O)c(O)c(O)c3c(O)cc(-c4ccccc4)oc2-3)cc1	ZINC000108450397	571425148	/nfs/dbraw/zinc/42/51/48/571425148.db2.gz	UKCODXSOGCMAQW-DEOSSOPVSA-N	0	1	560.643	7.011	50	30	biogenic	KKEAMN
C[C@@H](Cc1ccccc1)n1n[o+]c([N-]C(=O)Nc2ccc(Br)cc2Br)c1Br	ZINC000136224773	571449218	/nfs/dbraw/zinc/44/92/18/571449218.db2.gz	ZHZKJGOLLYYBKZ-NSHDSACASA-O	0	1	560.064	5.711	50	30		KKEAMN
Cc1c(NC(=O)CSc2nc3ccc(/N=C/c4cc(Br)cc(Br)c4O)cc3s2)c(=O)n(-c2ccccc2)n1C	ZINC000150358085	571463453	/nfs/dbraw/zinc/46/34/53/571463453.db2.gz	HDMDOHVMZRLQGK-VVEOGCPPSA-N	0	1	687.439	6.806	50	30		KKEAMN
COc1cc([C@@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)C=Cc2ccccc2)cc(OC)c1OC	ZINC000150376326	571466363	/nfs/dbraw/zinc/46/63/63/571466363.db2.gz	PPJAPOVNCNPISZ-XQHRPIBOSA-N	0	1	642.796	8.624	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150417259	571486131	/nfs/dbraw/zinc/48/61/31/571486131.db2.gz	QXIKCNIHSRXFPB-TXTDGAROSA-N	0	1	645.759	6.334	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C	ZINC000150422214	571488248	/nfs/dbraw/zinc/48/82/48/571488248.db2.gz	VVFUEDKKESHPCC-RIEKNRFYSA-N	0	1	689.831	7.743	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C	ZINC000150424939	571489581	/nfs/dbraw/zinc/48/95/81/571489581.db2.gz	DLLDVSBPYIPKPC-UWUYKNAISA-N	0	1	721.901	8.757	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1	ZINC000150435479	571495451	/nfs/dbraw/zinc/49/54/51/571495451.db2.gz	WCLVVDIDEIZFQI-UTNKIGIFSA-N	0	1	705.858	8.066	50	30		KKEAMN
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)Nc3ccccc3OC)c2)c1	ZINC000150438402	571497110	/nfs/dbraw/zinc/49/71/10/571497110.db2.gz	YLDVOSILLCGEII-UHFFFAOYSA-N	0	1	695.263	6.773	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150441793	571498650	/nfs/dbraw/zinc/49/86/50/571498650.db2.gz	HIQIBUARVMFXSE-RIEKNRFYSA-N	0	1	682.223	8.013	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1	ZINC000150445084	571500123	/nfs/dbraw/zinc/50/01/23/571500123.db2.gz	YYWQOSSROGXSSI-ZSTRNPGISA-N	0	1	639.129	7.487	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150445575	571500590	/nfs/dbraw/zinc/50/05/90/571500590.db2.gz	LAAMMYNYDCEMFW-DNNDWWBDSA-N	0	1	662.233	8.003	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150445788	571500593	/nfs/dbraw/zinc/50/05/93/571500593.db2.gz	JETAQCNSEVDWLS-QJGFIUGVSA-N	0	1	662.233	7.858	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150446813	571501141	/nfs/dbraw/zinc/50/11/41/571501141.db2.gz	KHBYPCXXTNRGHC-VMFRQMAUSA-N	0	1	648.206	7.612	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000150451022	571502749	/nfs/dbraw/zinc/50/27/49/571502749.db2.gz	ZCRUSCGXIHJYEY-ZORLYMSLSA-N	0	1	646.721	7.544	50	30		KKEAMN
CCc1nn(-c2ccc(F)cc2)c(N2CCN(C(C)C)CC2)c1CN(CC(C)C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000150453440	571503555	/nfs/dbraw/zinc/50/35/55/571503555.db2.gz	WYQAGYYXESGMSJ-UHFFFAOYSA-N	0	1	641.676	7.440	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000150453773	571503798	/nfs/dbraw/zinc/50/37/98/571503798.db2.gz	PFKKDRXKPJAABF-ANCNPBKRSA-N	0	1	637.508	6.121	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1	ZINC000150455057	571504331	/nfs/dbraw/zinc/50/43/31/571504331.db2.gz	YFJTYLYNZIFHPX-ZORLYMSLSA-N	0	1	636.682	6.290	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150457449	571504887	/nfs/dbraw/zinc/50/48/87/571504887.db2.gz	VNVYFURFWXKENR-ANBMCXBTSA-N	0	1	677.848	8.358	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150457540	571505018	/nfs/dbraw/zinc/50/50/18/571505018.db2.gz	ZXSIOKUULPFQPW-UZGIXAGNSA-N	0	1	675.804	7.497	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150458722	571505501	/nfs/dbraw/zinc/50/55/01/571505501.db2.gz	CSMVLPGZCSFUOR-RWMNMRIUSA-N	0	1	655.798	7.052	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000150459267	571505698	/nfs/dbraw/zinc/50/56/98/571505698.db2.gz	YBMJJZDVKGQPTH-ZHHPLPSFSA-N	0	1	625.453	5.179	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000150460569	571506228	/nfs/dbraw/zinc/50/62/28/571506228.db2.gz	OGZWQOFRWNQHLP-RIEKNRFYSA-N	0	1	689.831	7.887	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150461038	571506383	/nfs/dbraw/zinc/50/63/83/571506383.db2.gz	DYYSCCKMEOSIMP-NBXYUPGTSA-N	0	1	649.794	7.722	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150462808	571506758	/nfs/dbraw/zinc/50/67/58/571506758.db2.gz	MVXUFUWGMRNRTA-GYBOJBDRSA-N	0	1	671.841	7.748	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000150463204	571506900	/nfs/dbraw/zinc/50/69/00/571506900.db2.gz	RFPIPEUKSBZXFL-FCLPXNLHSA-N	0	1	641.815	7.658	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000150463102	571507029	/nfs/dbraw/zinc/50/70/29/571507029.db2.gz	VNPUIRGWYUCACF-MIOXIQPJSA-N	0	1	670.740	6.334	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150463645	571507186	/nfs/dbraw/zinc/50/71/86/571507186.db2.gz	JURGPKJLMVEWAT-FZIYRNTBSA-N	0	1	634.179	7.222	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000150463518	571507191	/nfs/dbraw/zinc/50/71/91/571507191.db2.gz	KLHFHAIGLXADFB-QJGFIUGVSA-N	0	1	645.778	7.344	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150463407	571507229	/nfs/dbraw/zinc/50/72/29/571507229.db2.gz	NAZIKHTWASDAMV-VIDUVWHZSA-N	0	1	685.868	8.056	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150463360	571507293	/nfs/dbraw/zinc/50/72/93/571507293.db2.gz	ZZKHMJFNQCFEHC-NBXYUPGTSA-N	0	1	647.778	7.498	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150468002	571508278	/nfs/dbraw/zinc/50/82/78/571508278.db2.gz	XAOSUQCKQWYDON-SZYGQJGOSA-N	0	1	679.820	7.950	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150469627	571508735	/nfs/dbraw/zinc/50/87/35/571508735.db2.gz	YZGVDIIXQZDQFR-LHKMDIPOSA-N	0	1	676.216	7.397	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150474505	571510542	/nfs/dbraw/zinc/51/05/42/571510542.db2.gz	RIFRTGGQCDRODE-QMMFTLRZSA-N	0	1	691.803	7.335	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000150475680	571510699	/nfs/dbraw/zinc/51/06/99/571510699.db2.gz	WCWFRLJDUFKFJF-TXTDGAROSA-N	0	1	663.749	6.555	50	30		KKEAMN
CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C#N)c1nc3ccccc3nc1N1CCN(C(c3ccccc3)c3ccccc3)CC1)CCCC2	ZINC000150476896	571511020	/nfs/dbraw/zinc/51/10/20/571511020.db2.gz	FLPDOWVDTMXPFT-LJAQVGFWSA-N	0	1	670.839	6.904	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150480491	571512097	/nfs/dbraw/zinc/51/20/97/571512097.db2.gz	MEKQRJRHOSKDAK-UUALVTFQSA-N	0	1	684.623	7.714	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150481370	571512608	/nfs/dbraw/zinc/51/26/08/571512608.db2.gz	IKCPSXMSZSRKNV-OFNYXUPYSA-N	0	1	668.624	7.876	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000150482760	571513465	/nfs/dbraw/zinc/51/34/65/571513465.db2.gz	KUBGYVYEIYHQKD-NDEPHWFRSA-N	0	1	644.149	8.507	50	30		KKEAMN
Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1ccc(OCc2ccccc2)cc1	ZINC000150485477	571515917	/nfs/dbraw/zinc/51/59/17/571515917.db2.gz	OGWJJCRSRVDVRV-UMSFTDKQSA-N	0	1	738.916	9.777	50	30		KKEAMN
Oc1c(I)cc(Br)cc1C=Nc1ccc2oc(-c3ccncc3)nc2c1	ZINC000252590566	572266692	/nfs/dbraw/zinc/26/66/92/572266692.db2.gz	ATHYPUWXWYTCPA-UHFFFAOYSA-N	0	1	520.124	5.713	50	30		KKEAMN
COc1cc([N+](=O)[O-])cc(C=Nc2ccc3oc(-c4cc(I)ccc4Cl)nc3c2)c1O	ZINC000252616814	572268867	/nfs/dbraw/zinc/26/88/67/572268867.db2.gz	KFXPFSVXUCWTDI-UHFFFAOYSA-N	0	1	549.708	6.126	50	30		KKEAMN
COc1ccc(-c2nc3cc(C)ccc3o2)cc1N=Cc1cc(I)cc(I)c1O	ZINC000252619944	572269248	/nfs/dbraw/zinc/26/92/48/572269248.db2.gz	LUTCRDGVHQFXAL-UHFFFAOYSA-N	0	1	610.189	6.477	50	30		KKEAMN
BrC(=CC=Nc1ccc(-c2nc3ccc(N=CC=C(Br)c4ccccc4)cc3[nH]2)cc1)c1ccccc1	ZINC000252627535	572270780	/nfs/dbraw/zinc/27/07/80/572270780.db2.gz	RWKXMVREAJZDII-UYYGLVDUSA-N	0	1	610.353	9.507	50	30		KKEAMN
Cc1ccc(-c2nc3cc(N=Cc4cc(I)cc(I)c4O)ccc3o2)cc1	ZINC000252629778	572271202	/nfs/dbraw/zinc/27/12/02/572271202.db2.gz	UNNMNLMHDUIGJS-UHFFFAOYSA-N	0	1	580.163	6.469	50	30		KKEAMN
Cc1ccc2oc(-c3ccc(N=Cc4cc(I)cc(I)c4O)c(C)c3)nc2c1	ZINC000252630516	572271454	/nfs/dbraw/zinc/27/14/54/572271454.db2.gz	VBFDHLSBVRDRGW-UHFFFAOYSA-N	0	1	594.190	6.777	50	30		KKEAMN
COc1ccc([C@H](CNC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)c2c(C)[nH]c3ccccc32)cc1	ZINC000253406211	572286204	/nfs/dbraw/zinc/28/62/04/572286204.db2.gz	ITYYJQRGOHGCIZ-MYLKVJTCSA-N	0	1	606.675	5.789	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@H](c3ccco3)c3ccc(C)cc3)C1=O)O2	ZINC000253412824	572288247	/nfs/dbraw/zinc/28/82/47/572288247.db2.gz	SDLYPVSSERQCAJ-RUEZCYJKSA-N	0	1	541.600	5.282	50	30		KKEAMN
CCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCC	ZINC000102188027	717145552	/nfs/dbraw/zinc/14/55/52/717145552.db2.gz	XCCDCYFQYUARAY-MUUNZHRXSA-O	0	1	594.791	7.343	50	30		KKEAMN
COc1ccc(C(=O)c2oc3cc(NC(C)=C4C(=O)C=C5Oc6c(c(O)c(C)c(O)c6C(C)=O)[C@@]5(C)C4=O)ccc3c2C)cc1	ZINC000824651643	1071284556	/nfs/dbraw/zinc/28/45/56/1071284556.db2.gz	KIXJXEICLILJMF-DAMMQNOWSA-N	0	1	607.615	5.975	50	30		KKEAMN
CCCCCCCC1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)NC1=O	ZINC000245284898	1072831400	/nfs/dbraw/zinc/83/14/00/1072831400.db2.gz	USAQALMFIBNDJB-FQEVSTJZSA-N	0	1	631.412	6.261	50	30		KKEAMN
CN1c2ccccc2C(C)(C)C1C=CN=Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]	ZINC000254745734	1072875478	/nfs/dbraw/zinc/87/54/78/1072875478.db2.gz	WRCKPAKJJZMRMZ-PCSBDKELSA-N	0	1	526.018	5.758	50	30		KKEAMN
C=C(C)Cn1c(CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)nnc1SCc1ccccc1	ZINC000019368302	193882711	/nfs/dbraw/zinc/88/27/11/193882711.db2.gz	FFINYQVDRRLOSY-UHFFFAOYSA-N	0	1	523.750	6.096	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3C)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000000631116	551505117	/nfs/dbraw/zinc/50/51/17/551505117.db2.gz	JNJDDYHUCHZFGS-NRFANRHFSA-N	0	1	524.570	5.257	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000000702634	551529608	/nfs/dbraw/zinc/52/96/08/551529608.db2.gz	NLSQDGMVKGVXHY-HKBQPEDESA-N	0	1	568.714	5.782	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1	ZINC000000702744	551529712	/nfs/dbraw/zinc/52/97/12/551529712.db2.gz	LSHVXYGVMNPRSV-AZGAKELHSA-N	0	1	503.982	5.676	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1OCc1ccccc1	ZINC000000703060	551530224	/nfs/dbraw/zinc/53/02/24/551530224.db2.gz	HQINUQOZNLTDKL-MOXKEGGMSA-N	0	1	555.627	5.355	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C	ZINC000000703036	551530316	/nfs/dbraw/zinc/53/03/16/551530316.db2.gz	FDOREGMMNLPNNE-ACSYHNTCSA-N	0	1	542.632	5.617	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000000703087	551530771	/nfs/dbraw/zinc/53/07/71/551530771.db2.gz	IAMBDTDXHPMRQZ-MHZLTWQESA-N	0	1	533.577	5.263	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1	ZINC000000703178	551530941	/nfs/dbraw/zinc/53/09/41/551530941.db2.gz	ONWOSAATKMDHDT-JCOAXYOVSA-N	0	1	562.622	5.771	50	30		KKEAMN
COc1cccc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)c1	ZINC000000717150	551534658	/nfs/dbraw/zinc/53/46/58/551534658.db2.gz	JWGCCRBHNDZREE-QYBDOPJKSA-N	0	1	526.942	6.812	50	30		KKEAMN
COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccc(F)cc2)cc1	ZINC000000716935	551534666	/nfs/dbraw/zinc/53/46/66/551534666.db2.gz	AJHRYXJYNUHBHQ-MHZLTWQESA-N	0	1	501.627	6.848	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2cccs2)cc1OC	ZINC000000719048	551535793	/nfs/dbraw/zinc/53/57/93/551535793.db2.gz	PGJNQOIPYBMJNZ-GDJIYFAZSA-N	0	1	500.620	6.076	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cccnc2)cc1	ZINC000000986543	551593110	/nfs/dbraw/zinc/59/31/10/551593110.db2.gz	DYGSCRGUUAAMON-WBBHLRKXSA-N	0	1	501.586	6.305	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000000986566	551593139	/nfs/dbraw/zinc/59/31/39/551593139.db2.gz	JQCXXEPNSXRKKH-GTYOFVGBSA-N	0	1	552.627	5.801	50	30		KKEAMN
CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000001003448	551596032	/nfs/dbraw/zinc/59/60/32/551596032.db2.gz	WKKKBWRMORZDQH-GDJIYFAZSA-N	0	1	501.970	6.559	50	30		KKEAMN
CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC	ZINC000001077253	551604562	/nfs/dbraw/zinc/60/45/62/551604562.db2.gz	YPGWWTUKKRPLAV-UULLZXFKSA-N	0	1	531.565	5.696	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1	ZINC000001103829	551609528	/nfs/dbraw/zinc/60/95/28/551609528.db2.gz	UMFNMKLDGFZXDF-ROTAYESASA-N	0	1	562.622	5.771	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000001108681	551610711	/nfs/dbraw/zinc/61/07/11/551610711.db2.gz	UMNZQFCATHKRPD-XMMPIXPASA-N	0	1	503.507	5.220	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1	ZINC000001293534	551637264	/nfs/dbraw/zinc/63/72/64/551637264.db2.gz	BVTQPPNNKUMGBJ-BNHRFMORSA-N	0	1	538.644	6.429	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000001299046	551637842	/nfs/dbraw/zinc/63/78/42/551637842.db2.gz	WQOXGCDAFJMLJU-BGOLNKOXSA-N	0	1	554.643	6.032	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000001308592	551639535	/nfs/dbraw/zinc/63/95/35/551639535.db2.gz	QXIONYISBBJWBJ-WRHNGFHOSA-N	0	1	582.575	6.184	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c1	ZINC000001413414	551665473	/nfs/dbraw/zinc/66/54/73/551665473.db2.gz	BSTXFWBWTNSVGD-VWLOTQADSA-N	0	1	531.406	5.760	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccc(Br)c2)cc1	ZINC000001414729	551666367	/nfs/dbraw/zinc/66/63/67/551666367.db2.gz	WPQPBRWWGIIYHF-VWLOTQADSA-N	0	1	515.407	6.060	50	30		KKEAMN
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1O	ZINC000001437515	551671390	/nfs/dbraw/zinc/67/13/90/551671390.db2.gz	UVNNOHLJUICXHP-HJWYETAXSA-N	0	1	561.591	5.704	50	30		KKEAMN
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1O	ZINC000001437521	551671397	/nfs/dbraw/zinc/67/13/97/551671397.db2.gz	DJYXDWKMHGDAOI-QZXCRCNTSA-N	0	1	547.564	5.314	50	30		KKEAMN
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1O	ZINC000001437517	551671436	/nfs/dbraw/zinc/67/14/36/551671436.db2.gz	UVNNOHLJUICXHP-OLRZCDJHSA-N	0	1	561.591	5.704	50	30		KKEAMN
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1O	ZINC000001437522	551671497	/nfs/dbraw/zinc/67/14/97/551671497.db2.gz	DJYXDWKMHGDAOI-KUNJGFBQSA-N	0	1	547.564	5.314	50	30		KKEAMN
COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000001438540	551671951	/nfs/dbraw/zinc/67/19/51/551671951.db2.gz	LGVMKRCPRKZIIN-SOKVYYICSA-N	0	1	548.592	5.165	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@H]3c2ccc(F)cc2)cc1OC	ZINC000001440836	551672968	/nfs/dbraw/zinc/67/29/68/551672968.db2.gz	KJIIWXCQRNKDGE-BGOLNKOXSA-N	0	1	554.643	7.119	50	30		KKEAMN
O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(Br)c1	ZINC000001449869	551674839	/nfs/dbraw/zinc/67/48/39/551674839.db2.gz	VBQRFRJISHYYBB-SFHVURJKSA-N	0	1	515.385	6.042	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000001449854	551674921	/nfs/dbraw/zinc/67/49/21/551674921.db2.gz	JNSHSSVTYXAXQS-OAQYLSRUSA-N	0	1	539.407	6.142	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000001450205	551675224	/nfs/dbraw/zinc/67/52/24/551675224.db2.gz	NUHUEVJOHNARNX-QFIPXVFZSA-N	0	1	536.562	5.097	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000001451687	551676433	/nfs/dbraw/zinc/67/64/33/551676433.db2.gz	XADQUDKOVRVWSH-XMMPIXPASA-N	0	1	564.591	5.643	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cccc(OC)c2)cc1	ZINC000001456949	551676756	/nfs/dbraw/zinc/67/67/56/551676756.db2.gz	PINFLBBQVAGMKE-OGVWKLGRSA-N	0	1	530.624	6.918	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C	ZINC000001480015	551681576	/nfs/dbraw/zinc/68/15/76/551681576.db2.gz	AIYJTABEGJEOSG-OAQYLSRUSA-N	0	1	524.570	5.257	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000001480820	551681905	/nfs/dbraw/zinc/68/19/05/551681905.db2.gz	ASWQAJODNHYRLG-QHCPKHFHSA-N	0	1	550.589	5.405	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000001480888	551682198	/nfs/dbraw/zinc/68/21/98/551682198.db2.gz	AGQTUPPSZHSHEG-FQEVSTJZSA-N	0	1	541.448	6.302	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000001480869	551682315	/nfs/dbraw/zinc/68/23/15/551682315.db2.gz	UJXHWGZSQQIENN-XMMPIXPASA-N	0	1	534.565	5.634	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1	ZINC000001760618	551694342	/nfs/dbraw/zinc/69/43/42/551694342.db2.gz	ZVUHCOKFHBCPEZ-FQEVSTJZSA-N	0	1	526.343	5.426	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000001842833	551714155	/nfs/dbraw/zinc/71/41/55/551714155.db2.gz	CSGNTBDHMOTJSV-UGDMGKLASA-N	0	1	531.608	6.623	50	30		KKEAMN
COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)C(=O)NC2=S)cc1	ZINC000001904972	551731899	/nfs/dbraw/zinc/73/18/99/551731899.db2.gz	ORHXVGUGODXUQC-FYJGNVAPSA-N	0	1	516.648	5.586	50	30		KKEAMN
N#Cc1c(OCC(F)(F)F)ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1OCC(F)(F)F	ZINC000002144434	551775574	/nfs/dbraw/zinc/77/55/74/551775574.db2.gz	UMNIJNZIDVGENH-UHFFFAOYSA-N	0	1	522.345	5.260	50	30		KKEAMN
CCOC(=O)c1c(-c2ccc(C)cc2)csc1/N=C/c1cc(Br)cc(Br)c1O	ZINC000002281073	552086934	/nfs/dbraw/zinc/08/69/34/552086934.db2.gz	GRMBBNFBNFQIBR-YSURURNPSA-N	0	1	523.246	6.881	50	30		KKEAMN
CCOC(=O)c1c(-c2ccccc2)csc1/N=C/c1cc(Br)cc(Br)c1O	ZINC000002311738	552090958	/nfs/dbraw/zinc/09/09/58/552090958.db2.gz	WUGRYQHRBIXNDR-AUEPDCJTSA-N	0	1	509.219	6.573	50	30		KKEAMN
O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1cc(Br)cc(Br)c1O	ZINC000002679351	552154510	/nfs/dbraw/zinc/15/45/10/552154510.db2.gz	MYVLBVBZSDUWLA-LIMNOBDPSA-N	0	1	505.191	5.238	50	30		KKEAMN
COc1cc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3sc4c(c3C#N)CCCCC4)c2)cc1Cl	ZINC000003311042	552351945	/nfs/dbraw/zinc/35/19/45/552351945.db2.gz	OMXLQRJNBQLQBD-UHFFFAOYSA-N	0	1	560.097	5.921	50	30		KKEAMN
Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)cc3s2)c(C)c1	ZINC000003663345	552407847	/nfs/dbraw/zinc/40/78/47/552407847.db2.gz	INQCKSRSHBBYEW-LKHGECOASA-N	0	1	544.529	8.104	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccccc1Cl	ZINC000003772220	552417766	/nfs/dbraw/zinc/41/77/66/552417766.db2.gz	MSXXPQZWGAEBAC-YUYWZBKDSA-N	0	1	555.162	9.118	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1	ZINC000004290266	552456508	/nfs/dbraw/zinc/45/65/08/552456508.db2.gz	WQFWQSVQWDISCX-AERZKKPOSA-N	0	1	522.049	6.794	50	30		KKEAMN
Brc1ccc2[nH]c(=NN=Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc(-c3ccccc3)c2c1	ZINC000004551989	552466140	/nfs/dbraw/zinc/46/61/40/552466140.db2.gz	GSBMXVSNEUBQLZ-UCMJSZAQSA-N	0	1	544.456	7.963	50	30		KKEAMN
Brc1ccc2nc(N=NCc3cn(-c4ccccc4)nc3-c3ccccc3)cc(-c3ccccc3)c2c1	ZINC000004551989	552466142	/nfs/dbraw/zinc/46/61/42/552466142.db2.gz	GSBMXVSNEUBQLZ-UCMJSZAQSA-N	0	1	544.456	7.963	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1	ZINC000004636104	552469872	/nfs/dbraw/zinc/46/98/72/552469872.db2.gz	MRDZFEGRZYNGRI-HKBQPEDESA-N	0	1	546.667	7.045	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1	ZINC000004641083	552469991	/nfs/dbraw/zinc/46/99/91/552469991.db2.gz	BVNWDXZYJLPNQO-MHZLTWQESA-N	0	1	513.037	6.940	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000005355174	552498602	/nfs/dbraw/zinc/49/86/02/552498602.db2.gz	XMASRHZDIGOMCJ-HSZRJFAPSA-N	0	1	566.632	5.135	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2F)cc1C	ZINC000005355568	552498932	/nfs/dbraw/zinc/49/89/32/552498932.db2.gz	ZJMNTAIQMFXJSG-OAQYLSRUSA-N	0	1	524.570	5.257	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)cc1C	ZINC000005357139	552499361	/nfs/dbraw/zinc/49/93/61/552499361.db2.gz	VCTUIZWVNCAULB-FQEVSTJZSA-N	0	1	526.998	5.382	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)c(C)c1	ZINC000005357235	552499671	/nfs/dbraw/zinc/49/96/71/552499671.db2.gz	AECKIEFARABMBS-NRFANRHFSA-N	0	1	539.009	5.548	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000005402243	552501448	/nfs/dbraw/zinc/50/14/48/552501448.db2.gz	YQOVPJKTNVAUMQ-AREMUKBSSA-N	0	1	603.678	6.099	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000005402301	552501493	/nfs/dbraw/zinc/50/14/93/552501493.db2.gz	NCTQHJXXJHVCMG-AREMUKBSSA-N	0	1	617.705	6.273	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCC)cc3C)[C@H]2c2ccc(F)cc2)nc1C	ZINC000005919038	552512229	/nfs/dbraw/zinc/51/22/29/552512229.db2.gz	NZALVCDJDBPPDU-HSZRJFAPSA-N	0	1	550.608	5.814	50	30		KKEAMN
COc1ccc(Nc2nc(N=NCc3ccc(-c4ccc(Cl)cc4Cl)o3)nc(NCc3ccco3)n2)cc1	ZINC000006156952	552552394	/nfs/dbraw/zinc/55/23/94/552552394.db2.gz	IUDIZWOAUDJQNU-FJEPWZHXSA-N	0	1	550.406	6.842	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC	ZINC000006279742	552575794	/nfs/dbraw/zinc/57/57/94/552575794.db2.gz	QUTURZRMMJZCGE-JOCHJYFZSA-N	0	1	562.338	6.268	50	30		KKEAMN
CCCCCCCCCCCCCCCCCCOC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC	ZINC000008034928	552983952	/nfs/dbraw/zinc/98/39/52/552983952.db2.gz	MHFRGQHAERHWKZ-MHZLTWQESA-O	0	1	524.744	7.119	50	30	investigational	KKEAMN
COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1O	ZINC000008383344	552986180	/nfs/dbraw/zinc/98/61/80/552986180.db2.gz	LGHDLELDAYNHID-XMMPIXPASA-N	0	1	589.626	6.213	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1O	ZINC000008383347	552986222	/nfs/dbraw/zinc/98/62/22/552986222.db2.gz	LGHDLELDAYNHID-DEOSSOPVSA-N	0	1	589.626	6.213	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1cccc(O)c1	ZINC000008383378	552986544	/nfs/dbraw/zinc/98/65/44/552986544.db2.gz	UPNAIHXJKPBLJG-QHCPKHFHSA-N	0	1	559.600	6.204	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H]1c1cccs1	ZINC000008383405	552986607	/nfs/dbraw/zinc/98/66/07/552986607.db2.gz	AFJDHUDRDUPQTC-OAQYLSRUSA-N	0	1	566.085	7.074	50	30		KKEAMN
CCc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000008383425	552986617	/nfs/dbraw/zinc/98/66/17/552986617.db2.gz	IAWGWGDLNACLOJ-VWLOTQADSA-N	0	1	588.110	7.575	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000008383398	552986624	/nfs/dbraw/zinc/98/66/24/552986624.db2.gz	PWBIHXULNGABPN-MUUNZHRXSA-N	0	1	646.190	8.582	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1O	ZINC000008383466	552986727	/nfs/dbraw/zinc/98/67/27/552986727.db2.gz	LFQNVNJPIDUGLU-VWLOTQADSA-N	0	1	603.653	6.603	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1ccc(F)cc1	ZINC000008383452	552986745	/nfs/dbraw/zinc/98/67/45/552986745.db2.gz	AVCHRQOFWPXPMT-HSZRJFAPSA-N	0	1	561.591	6.638	50	30		KKEAMN
CN(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000008383486	552986778	/nfs/dbraw/zinc/98/67/78/552986778.db2.gz	QBCSYXCOUMFUIC-VWLOTQADSA-N	0	1	586.670	6.565	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1O	ZINC000008383981	552988320	/nfs/dbraw/zinc/98/83/20/552988320.db2.gz	MXHGOAZWYOSURR-SANMLTNESA-N	0	1	599.690	6.772	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3cccc(O)c3)s2)cc1	ZINC000008384044	552988687	/nfs/dbraw/zinc/98/86/87/552988687.db2.gz	RFLJRQXHFYXVEB-DEOSSOPVSA-N	0	1	555.637	6.374	50	30		KKEAMN
COc1ccc(-c2nc3cc(C)ccc3o2)cc1/N=C/c1cc(I)cc(I)c1O	ZINC000008386346	552992003	/nfs/dbraw/zinc/99/20/03/552992003.db2.gz	LUTCRDGVHQFXAL-OPEKNORGSA-N	0	1	610.189	6.477	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000008398931	553000074	/nfs/dbraw/zinc/00/00/74/553000074.db2.gz	BOQPLAUTHCGLAV-QNLPTKCRSA-N	0	1	545.595	6.818	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000008398935	553000090	/nfs/dbraw/zinc/00/00/90/553000090.db2.gz	BOQPLAUTHCGLAV-BNHRFMORSA-N	0	1	545.595	6.818	50	30		KKEAMN
COC(=O)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(I)cc(I)c4O)cc3s2)cc1	ZINC000008405333	553007026	/nfs/dbraw/zinc/00/70/26/553007026.db2.gz	QJSFQZUJHIHDEL-LUOAPIJWSA-N	0	1	729.359	6.479	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)cc2)c(C)c1	ZINC000008433270	553028523	/nfs/dbraw/zinc/02/85/23/553028523.db2.gz	HXSACJMVJZYFNY-QHCPKHFHSA-N	0	1	550.633	5.517	50	30		KKEAMN
COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)c1O	ZINC000008435486	553030569	/nfs/dbraw/zinc/03/05/69/553030569.db2.gz	KUVBXEYFRCPMFT-FOKLQQMPSA-N	0	1	515.263	5.472	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc(OC)c1OC	ZINC000008441153	553039740	/nfs/dbraw/zinc/03/97/40/553039740.db2.gz	YWKCDKDJTNSEAW-QFIPXVFZSA-N	0	1	548.573	5.209	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccccc1	ZINC000008441204	553039798	/nfs/dbraw/zinc/03/97/98/553039798.db2.gz	GABZBWAMDYUSHL-HSZRJFAPSA-N	0	1	525.611	6.360	50	30		KKEAMN
CCc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000008441236	553040130	/nfs/dbraw/zinc/04/01/30/553040130.db2.gz	GUMPOEGQJWQZCT-RUZDIDTESA-N	0	1	553.665	6.922	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1OCCC(C)C	ZINC000008441483	553040941	/nfs/dbraw/zinc/04/09/41/553040941.db2.gz	YJPKKOIEKGFSNF-BUVJYCSZSA-N	0	1	535.637	5.201	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1OCc1ccccc1	ZINC000008441510	553040949	/nfs/dbraw/zinc/04/09/49/553040949.db2.gz	HQINUQOZNLTDKL-ZIXYTPEYSA-N	0	1	555.627	5.355	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1	ZINC000008441690	553041450	/nfs/dbraw/zinc/04/14/50/553041450.db2.gz	BGCIMKDXSUHNQJ-XMMPIXPASA-N	0	1	549.435	7.749	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O	ZINC000008441783	553042332	/nfs/dbraw/zinc/04/23/32/553042332.db2.gz	ZGNHSNGTBBMWSE-GDLZYMKVSA-N	0	1	635.723	7.617	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccc(Cl)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)C1	ZINC000008443748	553047713	/nfs/dbraw/zinc/04/77/13/553047713.db2.gz	OKZPCKQORSUVNY-PGUFJCEWSA-N	0	1	577.124	8.305	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccc(Cl)cc3)[C@H]2c2ccc(OCc3ccccc3)cc2)C1	ZINC000008443747	553047857	/nfs/dbraw/zinc/04/78/57/553047857.db2.gz	OKZPCKQORSUVNY-DHUJRADRSA-N	0	1	577.124	8.305	50	30		KKEAMN
CCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1OC	ZINC000008443984	553048865	/nfs/dbraw/zinc/04/88/65/553048865.db2.gz	RTQRCAQTOGGVMY-XMMPIXPASA-N	0	1	502.533	6.189	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1OCC	ZINC000008444060	553049040	/nfs/dbraw/zinc/04/90/40/553049040.db2.gz	OAMRIZUYZGDHNX-ZWVRTZEQSA-N	0	1	538.688	7.575	50	30		KKEAMN
O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1	ZINC000008444125	553049285	/nfs/dbraw/zinc/04/92/85/553049285.db2.gz	JEEHTRCHNXMPPE-BFXRBFBZSA-N	0	1	576.696	8.480	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccc(OC)cc1	ZINC000008445055	553052881	/nfs/dbraw/zinc/05/28/81/553052881.db2.gz	CUUBOOGZSDIXGV-UDNBHOFDSA-N	0	1	539.632	7.084	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3OCCC)C2)[C@@H]1c1ccc(OC)cc1	ZINC000008445119	553053130	/nfs/dbraw/zinc/05/31/30/553053130.db2.gz	PVFPRHNXQAMJFF-LHAPQZOASA-N	0	1	552.715	7.965	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3OCCC)C2)[C@H]1c1ccc(OC)cc1	ZINC000008445118	553053152	/nfs/dbraw/zinc/05/31/52/553053152.db2.gz	PVFPRHNXQAMJFF-XKWLHOGNSA-N	0	1	552.715	7.965	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000008445107	553053200	/nfs/dbraw/zinc/05/32/00/553053200.db2.gz	WDTNHCDLAXJEON-NHRFMIRVSA-N	0	1	569.658	7.093	50	30		KKEAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2	ZINC000008445417	553054225	/nfs/dbraw/zinc/05/42/25/553054225.db2.gz	GBHOPVROEOXQKI-AREMUKBSSA-N	0	1	513.491	5.103	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000008450778	553058986	/nfs/dbraw/zinc/05/89/86/553058986.db2.gz	CQARRPBVHYMDMO-QTYPKTMWSA-N	0	1	572.658	6.040	50	30		KKEAMN
Clc1ccc(OCCOc2c(Cl)cc(Cl)cc2C=NN=c2nc(N3CCCC3)[nH]c(N3CCCC3)n2)cc1	ZINC000008492933	553076106	/nfs/dbraw/zinc/07/61/06/553076106.db2.gz	ZUUXKYDNUIUKIW-OCSSWDANSA-N	0	1	576.916	5.936	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000008566447	553078015	/nfs/dbraw/zinc/07/80/15/553078015.db2.gz	BZDYDESTEZRCRT-LJAQVGFWSA-N	0	1	553.567	5.417	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000008559375	553078035	/nfs/dbraw/zinc/07/80/35/553078035.db2.gz	WISRECGSAIRTEM-GDLZYMKVSA-N	0	1	536.584	5.462	50	30		KKEAMN
CC[C@H](C)Oc1ccccc1[C@H]1C2=C(C[C@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1	ZINC000008695588	553122254	/nfs/dbraw/zinc/12/22/54/553122254.db2.gz	MHFJRRFBLLMGGM-QZDQGYFBSA-N	0	1	602.731	8.096	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1	ZINC000008695623	553122397	/nfs/dbraw/zinc/12/23/97/553122397.db2.gz	MYNAMKRMYVTVBH-WYOOIXGGSA-N	0	1	559.106	7.838	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Cl)c1	ZINC000008695624	553122434	/nfs/dbraw/zinc/12/24/34/553122434.db2.gz	MYNAMKRMYVTVBH-FLASPHMUSA-N	0	1	559.106	7.838	50	30		KKEAMN
CCCCc1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4C#N)c4ccccc34)C(=O)NC2=S)cc1	ZINC000008744280	553134179	/nfs/dbraw/zinc/13/41/79/553134179.db2.gz	ZZGKMFCXVONBSK-WPWMEQJKSA-N	0	1	518.642	6.575	50	30		KKEAMN
COc1ccc2c(CCNC(=Nc3nc(C)cc(C)n3)NC(O)=CSc3nc4ccccc4s3)c[nH]c2c1	ZINC000008758369	553137042	/nfs/dbraw/zinc/13/70/42/553137042.db2.gz	HOIDWIMLHFOEBG-UHFFFAOYSA-N	0	1	545.694	5.112	50	30		KKEAMN
COc1cc(C=NN=c2[nH]c3ccccc3[nH]2)cc(Br)c1OCc1cccc2ccccc21	ZINC000008813849	553151029	/nfs/dbraw/zinc/15/10/29/553151029.db2.gz	HDMSJRMXEYVWQB-RWPZCVJISA-N	0	1	501.384	6.512	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000008816709	553152026	/nfs/dbraw/zinc/15/20/26/553152026.db2.gz	PVJZOHDHXORRNY-SFHVURJKSA-N	0	1	500.935	5.204	50	30		KKEAMN
COc1ccc(CCNC(=O)C(C#N)c2nc3ccccc3nc2N2CCC(Cc3ccccc3)CC2)cc1	ZINC000008836112	553162950	/nfs/dbraw/zinc/16/29/50/553162950.db2.gz	CENLXBPKHZZEHS-HHHXNRCGSA-N	0	1	519.649	5.064	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1cccnc1	ZINC000008846351	553166096	/nfs/dbraw/zinc/16/60/96/553166096.db2.gz	SGFYSGLIADLYHD-INJOXJOKSA-N	0	1	521.705	7.860	50	30		KKEAMN
Cc1ccccc1Nc1nc(N=NCc2cc(Br)cc(Br)c2O)nc(Nc2ccc([N+](=O)[O-])cc2)n1	ZINC000008872106	553172202	/nfs/dbraw/zinc/17/22/02/553172202.db2.gz	PWEIFUFWIFPELW-RPPGKUMJSA-N	0	1	614.258	6.252	50	30		KKEAMN
Oc1c(Br)cc(Cl)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1	ZINC000008872237	553172941	/nfs/dbraw/zinc/17/29/41/553172941.db2.gz	MOQNLNTUPHYJHP-DHRITJCHSA-N	0	1	510.783	5.926	50	30		KKEAMN
COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1OC	ZINC000008916893	553187200	/nfs/dbraw/zinc/18/72/00/553187200.db2.gz	DRNCZVLJDCPAIQ-MUUNZHRXSA-N	0	1	513.663	6.717	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000008987733	553196599	/nfs/dbraw/zinc/19/65/99/553196599.db2.gz	NPVWKIQPMIWUTN-OAQYLSRUSA-N	0	1	505.508	5.288	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000008987919	553196822	/nfs/dbraw/zinc/19/68/22/553196822.db2.gz	CZBSWVLDYNGBSM-KRWDZBQOSA-N	0	1	503.363	5.328	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(CC)cc2)cc1C	ZINC000009019244	553200971	/nfs/dbraw/zinc/20/09/71/553200971.db2.gz	YMJNLLRXTZBXHH-NDEPHWFRSA-N	0	1	520.670	5.037	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000009019478	553201005	/nfs/dbraw/zinc/20/10/05/553201005.db2.gz	XFTUXURKZRVUPX-MUUNZHRXSA-N	0	1	512.650	6.501	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000009019726	553201228	/nfs/dbraw/zinc/20/12/28/553201228.db2.gz	AMJFUHJVOZYLSC-MUUNZHRXSA-N	0	1	506.558	5.969	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000009042302	553202632	/nfs/dbraw/zinc/20/26/32/553202632.db2.gz	TZDHCVAYGOJTMK-HXUWFJFHSA-N	0	1	509.356	5.981	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc(Cl)c3)C2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000009043139	553202892	/nfs/dbraw/zinc/20/28/92/553202892.db2.gz	SKZVPBWBBAYSBV-WENCNXQZSA-N	0	1	517.025	6.668	50	30		KKEAMN
CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)C(=O)NC2=S)cc1	ZINC000009043512	553202920	/nfs/dbraw/zinc/20/29/20/553202920.db2.gz	OIDYDUOSPYGNRL-HYARGMPZSA-N	0	1	514.676	6.140	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009043112	553202929	/nfs/dbraw/zinc/20/29/29/553202929.db2.gz	ODGQKVIPKJACDS-QFIPXVFZSA-N	0	1	506.967	5.750	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000009044782	553203297	/nfs/dbraw/zinc/20/32/97/553203297.db2.gz	RDFNQNNLVJAUOT-NDEPHWFRSA-N	0	1	506.558	5.969	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C	ZINC000009045207	553203357	/nfs/dbraw/zinc/20/33/57/553203357.db2.gz	XLEHWOBBEISREA-LJAQVGFWSA-N	0	1	528.649	5.962	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC	ZINC000009065015	553205796	/nfs/dbraw/zinc/20/57/96/553205796.db2.gz	PXVNFMVAGFCRMK-OAQYLSRUSA-N	0	1	506.536	5.006	50	30		KKEAMN
COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2ccc(F)cc2)c1	ZINC000009068332	553206577	/nfs/dbraw/zinc/20/65/77/553206577.db2.gz	ONQFSNCEYQZHNT-GPNASLBKSA-N	0	1	518.588	7.049	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)o1	ZINC000009069284	553206818	/nfs/dbraw/zinc/20/68/18/553206818.db2.gz	SGHNRUDXDLERKT-LJQANCHMSA-N	0	1	513.344	5.882	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000009071733	553207134	/nfs/dbraw/zinc/20/71/34/553207134.db2.gz	SXGZJCAGMVXKRU-LJAQVGFWSA-N	0	1	526.677	6.011	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000009071733	553207135	/nfs/dbraw/zinc/20/71/35/553207135.db2.gz	SXGZJCAGMVXKRU-LJAQVGFWSA-N	0	1	526.677	6.011	50	30		KKEAMN
COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009110857	553210063	/nfs/dbraw/zinc/21/00/63/553210063.db2.gz	HDOFHGKQMCCXGV-NRFANRHFSA-N	0	1	509.312	5.149	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc(O)c2)s1	ZINC000009123825	553212580	/nfs/dbraw/zinc/21/25/80/553212580.db2.gz	JEKRKRORVXBNSB-DEOSSOPVSA-N	0	1	513.575	5.222	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000009158244	553215008	/nfs/dbraw/zinc/21/50/08/553215008.db2.gz	SZHPCYPHLAWEPB-BGOLNKOXSA-N	0	1	512.606	6.023	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000009160927	553215466	/nfs/dbraw/zinc/21/54/66/553215466.db2.gz	SAQFFNVKMSYHBU-SANMLTNESA-N	0	1	502.567	5.056	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)c(C)c1	ZINC000009176838	553216299	/nfs/dbraw/zinc/21/62/99/553216299.db2.gz	JHEZTIHBGWOWEC-RUZDIDTESA-N	0	1	525.432	6.654	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000009177363	553216361	/nfs/dbraw/zinc/21/63/61/553216361.db2.gz	MSOXDUTYDXVVOT-SFHVURJKSA-N	0	1	500.935	5.204	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC	ZINC000009186692	553217599	/nfs/dbraw/zinc/21/75/99/553217599.db2.gz	LPBRTDXWVWMSDL-OAQYLSRUSA-N	0	1	508.502	5.375	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000009235614	553225331	/nfs/dbraw/zinc/22/53/31/553225331.db2.gz	NXTFVVMIBYMOJC-QFIPXVFZSA-N	0	1	501.520	5.386	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3)sc2c1	ZINC000009236869	553225856	/nfs/dbraw/zinc/22/58/56/553225856.db2.gz	NTKGWCQYRFSESJ-JOCHJYFZSA-N	0	1	506.967	5.750	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2OC)cc1	ZINC000009240241	553226110	/nfs/dbraw/zinc/22/61/10/553226110.db2.gz	JOONHZJWNDBXBR-HSZRJFAPSA-N	0	1	504.539	5.626	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1	ZINC000009243630	553226774	/nfs/dbraw/zinc/22/67/74/553226774.db2.gz	XHEKQTBLFZMCSN-GDLZYMKVSA-N	0	1	512.650	5.837	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1	ZINC000009243838	553227064	/nfs/dbraw/zinc/22/70/64/553227064.db2.gz	LBRFWYAWVAFTCV-SANMLTNESA-N	0	1	514.509	5.493	50	30		KKEAMN
O=C(Nc1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000009264245	553228780	/nfs/dbraw/zinc/22/87/80/553228780.db2.gz	ZMTLLOWRWUKORV-WRONEBCDSA-N	0	1	509.993	7.539	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1OCC(C)C	ZINC000009272957	553232039	/nfs/dbraw/zinc/23/20/39/553232039.db2.gz	OYDYPSUHPREPEQ-RUZDIDTESA-N	0	1	501.539	5.112	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3OC)sc2c1	ZINC000009274772	553232639	/nfs/dbraw/zinc/23/26/39/553232639.db2.gz	HYCCZEJCHMLZRF-HSZRJFAPSA-N	0	1	520.994	6.140	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009280185	553233066	/nfs/dbraw/zinc/23/30/66/553233066.db2.gz	MXFVZHLNHMYNNS-NRFANRHFSA-N	0	1	505.483	5.135	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000009292957	553235365	/nfs/dbraw/zinc/23/53/65/553235365.db2.gz	IEMPKXQZUACFQY-URAOTHONSA-N	0	1	517.581	6.581	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCOC)ccc1OCCC(C)C	ZINC000009308648	553237484	/nfs/dbraw/zinc/23/74/84/553237484.db2.gz	NUYXWPSJTRIQOY-XHCCPWGMSA-N	0	1	523.626	5.058	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(Br)cc3)ccc2O1	ZINC000009311987	553239842	/nfs/dbraw/zinc/23/98/42/553239842.db2.gz	VYKSZWKWPOMFBK-NSYGIPOTSA-N	0	1	518.407	5.594	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000009313029	553241016	/nfs/dbraw/zinc/24/10/16/553241016.db2.gz	AIPFDMSNWIOQEH-ONOMSOESSA-N	0	1	511.618	6.213	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000009318990	553241347	/nfs/dbraw/zinc/24/13/47/553241347.db2.gz	CWGLHFVUPUMWRC-KEEVHDRGSA-N	0	1	527.577	5.923	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000009333864	553242887	/nfs/dbraw/zinc/24/28/87/553242887.db2.gz	ZWEJXLHRCSCSDE-QHCPKHFHSA-N	0	1	506.530	6.146	50	30		KKEAMN
CN(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)cc1	ZINC000009334081	553243137	/nfs/dbraw/zinc/24/31/37/553243137.db2.gz	QRSSBJCSCLKFRT-PMERELPUSA-N	0	1	514.069	6.792	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000009349926	553244992	/nfs/dbraw/zinc/24/49/92/553244992.db2.gz	WYTOLSQVLLPQPV-WHLCRQNOSA-N	0	1	526.589	5.147	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(OC)cc2OC)cc1	ZINC000009357815	553247235	/nfs/dbraw/zinc/24/72/35/553247235.db2.gz	PIQUVSOCKJPPCR-HSZRJFAPSA-N	0	1	513.468	5.514	50	30		KKEAMN
O=C(c1cccs1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccc(O)cc1	ZINC000009358076	553247254	/nfs/dbraw/zinc/24/72/54/553247254.db2.gz	YHIDIAMJVYLXOV-LJQANCHMSA-N	0	1	507.618	5.380	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000009358228	553247482	/nfs/dbraw/zinc/24/74/82/553247482.db2.gz	IKYOLTCLRRDVCK-DJUQAAIZSA-N	0	1	518.569	6.281	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000009358968	553247673	/nfs/dbraw/zinc/24/76/73/553247673.db2.gz	PCZGTWUTYXNQRJ-CCLHPLFOSA-N	0	1	515.610	5.054	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	ZINC000009359575	553248264	/nfs/dbraw/zinc/24/82/64/553248264.db2.gz	IBMJPWDUXCRDFQ-FQEVSTJZSA-N	0	1	502.832	6.050	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCOC)cc1	ZINC000009379995	553251564	/nfs/dbraw/zinc/25/15/64/553251564.db2.gz	GAUYAKUYMONNGV-NDEPHWFRSA-N	0	1	515.606	5.588	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc1OC	ZINC000009380739	553251914	/nfs/dbraw/zinc/25/19/14/553251914.db2.gz	VMMHRLAQOLUHGZ-JPQMRUPTSA-N	0	1	524.661	6.922	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccs3)ccc2O1	ZINC000009403673	553255429	/nfs/dbraw/zinc/25/54/29/553255429.db2.gz	LIGUEBHFSASPQI-QKVFXAPYSA-N	0	1	509.008	6.118	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000009424110	553258532	/nfs/dbraw/zinc/25/85/32/553258532.db2.gz	WYPQMFIZGKUXSP-OLILMLBXSA-N	0	1	527.617	5.628	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000009424839	553258927	/nfs/dbraw/zinc/25/89/27/553258927.db2.gz	NWONUBQOFSFUPT-MUUNZHRXSA-N	0	1	529.589	5.424	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2	ZINC000009424972	553259004	/nfs/dbraw/zinc/25/90/04/553259004.db2.gz	GXMFFIMINLHFOU-JOCHJYFZSA-N	0	1	504.951	5.504	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000009424910	553259021	/nfs/dbraw/zinc/25/90/21/553259021.db2.gz	KLVPRRVXCAGRGY-MMTVBGGISA-N	0	1	512.606	5.753	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000009424909	553259062	/nfs/dbraw/zinc/25/90/62/553259062.db2.gz	KLVPRRVXCAGRGY-WTYVLRPYSA-N	0	1	512.606	5.753	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000009425014	553259069	/nfs/dbraw/zinc/25/90/69/553259069.db2.gz	UMNGOQDPDCPEEE-KCWXNJEJSA-N	0	1	511.618	6.010	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(OCc2ccccc2)c1	ZINC000009425047	553259136	/nfs/dbraw/zinc/25/91/36/553259136.db2.gz	CGPXLVJCYHJAKU-NDEPHWFRSA-N	0	1	523.541	5.408	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000009425168	553259332	/nfs/dbraw/zinc/25/93/32/553259332.db2.gz	FYNICPPOUHRZRE-SANMLTNESA-N	0	1	519.550	5.017	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)cc2)cc1	ZINC000009453955	553266168	/nfs/dbraw/zinc/26/61/68/553266168.db2.gz	RZFFOAIMZSGWDT-MUUNZHRXSA-N	0	1	506.558	5.453	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(N(C)C)cc1	ZINC000009460997	553267185	/nfs/dbraw/zinc/26/71/85/553267185.db2.gz	WXQLUGAQIWHWLR-NDEPHWFRSA-N	0	1	514.622	5.255	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(N(C)C)cc3)cc2)c1	ZINC000009460976	553267213	/nfs/dbraw/zinc/26/72/13/553267213.db2.gz	GJAAQQFXWKRPLX-GDLZYMKVSA-N	0	1	522.601	6.012	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc(O)c3)cc2)c1	ZINC000009461269	553267588	/nfs/dbraw/zinc/26/75/88/553267588.db2.gz	VFUYGDBBNSBMRQ-MUUNZHRXSA-N	0	1	506.558	5.453	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(OC)cc1	ZINC000009461473	553267743	/nfs/dbraw/zinc/26/77/43/553267743.db2.gz	CTWDGIASYWCGEC-MHZLTWQESA-N	0	1	501.579	5.197	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000009470877	553269748	/nfs/dbraw/zinc/26/97/48/553269748.db2.gz	UVJMEZNUZULDEJ-PUAOIOHZSA-N	0	1	508.401	6.138	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000009471421	553269972	/nfs/dbraw/zinc/26/99/72/553269972.db2.gz	YUZWOKWNMPRATA-HMILPKGGSA-N	0	1	528.605	5.371	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000009471424	553270013	/nfs/dbraw/zinc/27/00/13/553270013.db2.gz	YUZWOKWNMPRATA-GDJIYFAZSA-N	0	1	528.605	5.371	50	30		KKEAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2ccc(C)c(C)c2)C2=C1C(=O)CC(C)(C)C2	ZINC000009594976	553283542	/nfs/dbraw/zinc/28/35/42/553283542.db2.gz	UJPRMDDKUBATLD-NDEPHWFRSA-N	0	1	523.555	5.581	50	30		KKEAMN
COc1cccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)c1	ZINC000009720994	553300928	/nfs/dbraw/zinc/30/09/28/553300928.db2.gz	XBGAEYDVQOIAHE-NLGDKJDOSA-N	0	1	500.598	6.910	50	30		KKEAMN
CCCCCCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000009849818	553312447	/nfs/dbraw/zinc/31/24/47/553312447.db2.gz	CGDXRXBDSHGPEJ-XDNZSQCXSA-N	0	1	501.652	6.811	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000009934361	553317828	/nfs/dbraw/zinc/31/78/28/553317828.db2.gz	SZHPCYPHLAWEPB-ROTAYESASA-N	0	1	512.606	6.023	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1	ZINC000009994467	553324850	/nfs/dbraw/zinc/32/48/50/553324850.db2.gz	ZZJWAEKOFPZIFP-MUUNZHRXSA-N	0	1	532.681	5.158	50	30		KKEAMN
CCN(Cc1ccccc1)c1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)cc1	ZINC000012112561	553351437	/nfs/dbraw/zinc/35/14/37/553351437.db2.gz	AMHMFDBBGUDGHQ-UJEJHLKSSA-N	0	1	524.662	6.192	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000012285087	553356272	/nfs/dbraw/zinc/35/62/72/553356272.db2.gz	ZHNYLSZQPINXHU-JHOBJCJYSA-N	0	1	522.601	5.792	50	30		KKEAMN
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4nc(C)c(C(C)=O)s4)[C@H]3c3ccc(F)cc3)oc21	ZINC000012533333	553387398	/nfs/dbraw/zinc/38/73/98/553387398.db2.gz	SMIIICNCQCBFIY-FQEVSTJZSA-N	0	1	506.511	5.331	50	30		KKEAMN
CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC	ZINC000012834343	553421576	/nfs/dbraw/zinc/42/15/76/553421576.db2.gz	YHIXRNNWDBPKPW-JOCHJYFZSA-O	0	1	510.629	5.002	50	30	in-vitro	KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3cccc(Cl)c3)cc2)c1	ZINC000013549144	553469945	/nfs/dbraw/zinc/46/99/45/553469945.db2.gz	IGZVFBCKQGUASJ-SANMLTNESA-N	0	1	505.014	5.367	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3cccc(Cl)c3)cc2)c1	ZINC000013549144	553469948	/nfs/dbraw/zinc/46/99/48/553469948.db2.gz	IGZVFBCKQGUASJ-SANMLTNESA-N	0	1	505.014	5.367	50	30		KKEAMN
O=C(c1cccc2ccccc21)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccccc1	ZINC000016478234	553565801	/nfs/dbraw/zinc/56/58/01/553565801.db2.gz	XNQHANOJPICOGL-CAQRMWTPSA-N	0	1	510.593	7.647	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)cc1C	ZINC000016729648	553575878	/nfs/dbraw/zinc/57/58/78/553575878.db2.gz	BZKYYGPUXVXCBS-HHHXNRCGSA-N	0	1	501.579	5.232	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCCCC)cc2)cc1	ZINC000016730006	553576310	/nfs/dbraw/zinc/57/63/10/553576310.db2.gz	JFCVCUSWCNPTDR-MHZLTWQESA-N	0	1	503.595	6.416	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2cccnc2)cc1	ZINC000016730902	553576857	/nfs/dbraw/zinc/57/68/57/553576857.db2.gz	MPBRHXCIJGQCAI-SANMLTNESA-N	0	1	502.567	5.056	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2cccnc2)cc1	ZINC000016730905	553576963	/nfs/dbraw/zinc/57/69/63/553576963.db2.gz	MPBRHXCIJGQCAI-AREMUKBSSA-N	0	1	502.567	5.056	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000016805203	553582689	/nfs/dbraw/zinc/58/26/89/553582689.db2.gz	JRIKTHDLLGDTMB-MHZLTWQESA-N	0	1	510.521	5.800	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccnc1	ZINC000018116284	553604713	/nfs/dbraw/zinc/60/47/13/553604713.db2.gz	WCQNWLUMYBCBJD-JPQMRUPTSA-N	0	1	525.649	6.580	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2cccc(F)c2)cc1	ZINC000018137089	553605758	/nfs/dbraw/zinc/60/57/58/553605758.db2.gz	CKZBFZYZUNEYFC-QYBDOPJKSA-N	0	1	510.487	6.297	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@@H]3c2cccc(F)c2)cc1	ZINC000018179573	553607596	/nfs/dbraw/zinc/60/75/96/553607596.db2.gz	GPJHBWFOIFMUSH-IIMAJNMQSA-N	0	1	524.617	7.110	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCCCC)cc1	ZINC000018249482	553611354	/nfs/dbraw/zinc/61/13/54/553611354.db2.gz	SMUHTHHGFHAPPF-HKBQPEDESA-N	0	1	502.699	7.979	50	30		KKEAMN
N#Cc1c2c(c(N3CCN([C@@H](c4ccccc4)c4ccccc4Cl)CC3)n3c4ccccc4nc13)CCC2	ZINC000019790531	553616396	/nfs/dbraw/zinc/61/63/96/553616396.db2.gz	HTWLRSACBJZYOY-PMERELPUSA-N	0	1	518.064	6.413	50	30		KKEAMN
COc1ccc(/C=C2\Oc3c(c(C)cc([O-])c3C[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)c(OC)c1OC	ZINC000071389085	553636108	/nfs/dbraw/zinc/63/61/08/553636108.db2.gz	XEABRZGQWBMXJV-MYYYXRDXSA-N	0	1	551.039	5.318	50	30		KKEAMN
N#Cc1c2nc3ccccc3n2c(N2CCN(CCOc3cccc4ccccc43)CC2)c2c1CCCC2	ZINC000020462247	553656074	/nfs/dbraw/zinc/65/60/74/553656074.db2.gz	IAGXTHBENTZKTH-UHFFFAOYSA-N	0	1	501.634	5.592	50	30		KKEAMN
C=CCN1CC[C@@]23c4c5c(OC(=O)CCCCCCCCCCCCC)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@H]3O5	ZINC000085893502	553690590	/nfs/dbraw/zinc/69/05/90/553690590.db2.gz	SOOCNOSNEVGYEV-YBLJPNGSSA-N	0	1	537.741	6.202	50	30	biogenic	KKEAMN
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)nn1[C@@H]2c1ccc(Cl)cc1Cl	ZINC000020850475	553699586	/nfs/dbraw/zinc/69/95/86/553699586.db2.gz	SJJFMQYYQDVZDU-OAQYLSRUSA-N	0	1	503.430	6.674	50	30		KKEAMN
Cc1ccc(CSc2nc3n(n2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N3)c(C)c1	ZINC000020850698	553699903	/nfs/dbraw/zinc/69/99/03/553699903.db2.gz	XIRSKCPVOZOLGX-HSZRJFAPSA-N	0	1	513.494	7.152	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccccc3)cc2)c1	ZINC000095346071	553700656	/nfs/dbraw/zinc/70/06/56/553700656.db2.gz	KLVKCHLEGUBPSW-NDEPHWFRSA-N	0	1	507.590	5.439	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)OC3CCCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O	ZINC000095201997	553700730	/nfs/dbraw/zinc/70/07/30/553700730.db2.gz	AHEYHUBOBSDHSD-DEOSSOPVSA-N	0	1	512.603	5.569	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl	ZINC000095346203	553701147	/nfs/dbraw/zinc/70/11/47/553701147.db2.gz	UQKSHNWUUXECPW-VWLOTQADSA-N	0	1	522.045	5.901	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl	ZINC000095483799	553702168	/nfs/dbraw/zinc/70/21/68/553702168.db2.gz	YJUBLCJVRJBQQK-VWLOTQADSA-N	0	1	508.018	5.727	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000095483805	553702493	/nfs/dbraw/zinc/70/24/93/553702493.db2.gz	MEWYSNOZHBLNPL-DEOSSOPVSA-N	0	1	509.990	5.003	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000095892000	553714768	/nfs/dbraw/zinc/71/47/68/553714768.db2.gz	SBXRJHNUDDUDJV-AREMUKBSSA-N	0	1	503.599	5.128	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000095892003	553714774	/nfs/dbraw/zinc/71/47/74/553714774.db2.gz	PYYQKQLMMBKIRL-QHCPKHFHSA-N	0	1	524.415	5.103	50	30		KKEAMN
C=C(C)COc1ccc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1OC	ZINC000096115503	553726027	/nfs/dbraw/zinc/72/60/27/553726027.db2.gz	LHTCPEJCLLVXFB-GOSISDBHSA-N	0	1	500.503	5.276	50	30	biogenic	KKEAMN
COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1[NH2+][C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F	ZINC000096273105	553731953	/nfs/dbraw/zinc/73/19/53/553731953.db2.gz	TVTXCJFHQKSQQM-LJQIRTBHSA-N	0	1	616.492	6.939	50	30	investigational	KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000096791736	553757274	/nfs/dbraw/zinc/75/72/74/553757274.db2.gz	RFPRMVCLFHDUFW-LYZGTLIUSA-N	0	1	529.637	5.300	50	30		KKEAMN
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000097939676	553760152	/nfs/dbraw/zinc/76/01/52/553760152.db2.gz	XKQRPVFREGTMQU-CMJOXMDJSA-N	0	1	544.651	5.028	50	30		KKEAMN
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000097939678	553760188	/nfs/dbraw/zinc/76/01/88/553760188.db2.gz	XKQRPVFREGTMQU-WNSKOXEYSA-N	0	1	544.651	5.028	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939787	553761271	/nfs/dbraw/zinc/76/12/71/553761271.db2.gz	VQNCYNJIFGQWBE-SSOJOUAXSA-N	0	1	556.637	5.090	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)ccc1OCCC(C)C	ZINC000024192994	553790041	/nfs/dbraw/zinc/79/00/41/553790041.db2.gz	VJWAPKPOAGGQOC-AREMUKBSSA-N	0	1	506.599	5.006	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H]3c2cccc(F)c2)cc1	ZINC000097948765	553796550	/nfs/dbraw/zinc/79/65/50/553796550.db2.gz	ZOVDFKQUBIDLDH-XFSFLGPDSA-N	0	1	602.493	8.747	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cc(OC)c(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000097948766	553796574	/nfs/dbraw/zinc/79/65/74/553796574.db2.gz	XHJQJUASFJJLER-WHUARKNTSA-N	0	1	602.684	6.049	50	30		KKEAMN
COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000097948913	553797662	/nfs/dbraw/zinc/79/76/62/553797662.db2.gz	FWPWYRSXUVWAGO-QTYPKTMWSA-N	0	1	614.695	6.049	50	30		KKEAMN
COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000097948911	553797689	/nfs/dbraw/zinc/79/76/89/553797689.db2.gz	FWPWYRSXUVWAGO-CGKQSPDFSA-N	0	1	614.695	6.049	50	30		KKEAMN
COc1ccc2nc(SCC(=O)N3c4ccccc4N=C4C[C@H](c5ccc(F)cc5)CC(=O)C4[C@H]3c3cccc(OC)c3)[nH]c2c1	ZINC000097949046	553798738	/nfs/dbraw/zinc/79/87/38/553798738.db2.gz	RAZUVYCVHDHFDU-IYLMVCPTSA-N	0	1	634.733	7.412	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1	ZINC000097949031	553798768	/nfs/dbraw/zinc/79/87/68/553798768.db2.gz	KPNDUFPHUANICP-SBVPHTNJSA-N	0	1	633.188	8.937	50	30		KKEAMN
COc1ccc2nc(SCC(=O)N3c4ccccc4N=C4C[C@@H](c5ccc(F)cc5)CC(=O)C4[C@@H]3c3cccc(OC)c3)[nH]c2c1	ZINC000097949049	553799088	/nfs/dbraw/zinc/79/90/88/553799088.db2.gz	RAZUVYCVHDHFDU-LUWBXXKHSA-N	0	1	634.733	7.412	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000097951356	553808552	/nfs/dbraw/zinc/80/85/52/553808552.db2.gz	UNCQZRORTXNKGH-HKBQPEDESA-N	0	1	548.639	7.140	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000097951601	553810228	/nfs/dbraw/zinc/81/02/28/553810228.db2.gz	SLNZZIDQNVAUEE-LJQANCHMSA-N	0	1	514.173	5.390	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC	ZINC000097951765	553811090	/nfs/dbraw/zinc/81/10/90/553811090.db2.gz	DKTDLKPJWXDFDL-HHHXNRCGSA-N	0	1	546.620	5.229	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC	ZINC000097951766	553811137	/nfs/dbraw/zinc/81/11/37/553811137.db2.gz	DKTDLKPJWXDFDL-MHZLTWQESA-N	0	1	546.620	5.229	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1	ZINC000097952167	553813400	/nfs/dbraw/zinc/81/34/00/553813400.db2.gz	MSXPZMDZTRNSMP-WJOKGBTCSA-N	0	1	532.640	6.871	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000097952325	553815203	/nfs/dbraw/zinc/81/52/03/553815203.db2.gz	GYQZKUKQXBQQLM-HHHXNRCGSA-N	0	1	524.529	5.854	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000097952359	553815292	/nfs/dbraw/zinc/81/52/92/553815292.db2.gz	ICDZZAFNTPWYSS-GDLZYMKVSA-N	0	1	536.584	5.462	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccnc2)nc1C	ZINC000097952573	553816672	/nfs/dbraw/zinc/81/66/72/553816672.db2.gz	CBLPFCZBWJSPQG-VWLOTQADSA-N	0	1	539.613	5.719	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097953046	553818827	/nfs/dbraw/zinc/81/88/27/553818827.db2.gz	NRSQCUIRNSRHIV-JPQMRUPTSA-N	0	1	545.635	6.410	50	30		KKEAMN
COc1ccc(CCNC(=O)C(C#N)c2nc3ccccc3nc2N2CCC(Cc3ccccc3)CC2)cc1OC	ZINC000097953936	553820007	/nfs/dbraw/zinc/82/00/07/553820007.db2.gz	BPSQROUOIPXLDH-AREMUKBSSA-N	0	1	549.675	5.072	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000097954027	553820499	/nfs/dbraw/zinc/82/04/99/553820499.db2.gz	LJAAGQWKYKXPHW-QHCPKHFHSA-N	0	1	534.977	5.512	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000097954062	553820996	/nfs/dbraw/zinc/82/09/96/553820996.db2.gz	ZCZRDCYTIIOVLA-URAOTHONSA-N	0	1	541.644	6.222	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1	ZINC000097954052	553821010	/nfs/dbraw/zinc/82/10/10/553821010.db2.gz	CGHAIYPQEJDVSX-DEOSSOPVSA-N	0	1	548.617	5.387	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000097955002	553827055	/nfs/dbraw/zinc/82/70/55/553827055.db2.gz	MLVBCRBASZHZIA-MMTVBGGISA-N	0	1	545.636	5.063	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000097955004	553827159	/nfs/dbraw/zinc/82/71/59/553827159.db2.gz	MLVBCRBASZHZIA-NGOKVRLYSA-N	0	1	545.636	5.063	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000097955001	553827195	/nfs/dbraw/zinc/82/71/95/553827195.db2.gz	MLVBCRBASZHZIA-WTYVLRPYSA-N	0	1	545.636	5.063	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1	ZINC000097955288	553830603	/nfs/dbraw/zinc/83/06/03/553830603.db2.gz	ZZCXLASIVRQLDJ-BZQUYTCOSA-N	0	1	530.577	5.940	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O	ZINC000097955290	553830667	/nfs/dbraw/zinc/83/06/67/553830667.db2.gz	HZXOHJQHQPGFTD-DEOSSOPVSA-N	0	1	623.481	5.944	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000097955263	553830676	/nfs/dbraw/zinc/83/06/76/553830676.db2.gz	UPODBMJPAIOXNH-ZLOXQWCVSA-N	0	1	547.976	5.964	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3ccncc3)nc2c1	ZINC000097955550	553831283	/nfs/dbraw/zinc/83/12/83/553831283.db2.gz	ZYFJZPDKVJGYHS-AUEPDCJTSA-N	0	1	567.124	5.555	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000097955577	553831590	/nfs/dbraw/zinc/83/15/90/553831590.db2.gz	SBDGKARZIVDEJT-SMSORMJASA-N	0	1	549.627	5.454	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000097955618	553831974	/nfs/dbraw/zinc/83/19/74/553831974.db2.gz	WMGDDBWGNABGNP-MQNRADLISA-N	0	1	547.032	6.455	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000097955643	553832445	/nfs/dbraw/zinc/83/24/45/553832445.db2.gz	XLCWGWZAAIEWAZ-BSEYFRJRSA-N	0	1	533.005	6.065	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1	ZINC000097955640	553832496	/nfs/dbraw/zinc/83/24/96/553832496.db2.gz	MFISSRQSOXHHDR-NPMABZOXSA-N	0	1	520.969	6.195	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1	ZINC000097955813	553834249	/nfs/dbraw/zinc/83/42/49/553834249.db2.gz	FXYQDBRJQREDIP-NPMABZOXSA-N	0	1	547.976	5.964	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000097956226	553837038	/nfs/dbraw/zinc/83/70/38/553837038.db2.gz	LQCARSUPQNCQIE-JCQPUDPBSA-N	0	1	531.521	5.450	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(Cl)cc2)s1	ZINC000097956273	553837354	/nfs/dbraw/zinc/83/73/54/553837354.db2.gz	OKSDWNLDRDSHEN-DEOSSOPVSA-N	0	1	532.021	6.170	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000097956784	553841946	/nfs/dbraw/zinc/84/19/46/553841946.db2.gz	YXIRIQHEFPVOIJ-HXUWFJFHSA-N	0	1	561.443	6.035	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000097956809	553842140	/nfs/dbraw/zinc/84/21/40/553842140.db2.gz	XJRUSCSYCSGSDH-HHHXNRCGSA-N	0	1	596.661	6.687	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000097956810	553842241	/nfs/dbraw/zinc/84/22/41/553842241.db2.gz	XJRUSCSYCSGSDH-MHZLTWQESA-N	0	1	596.661	6.687	50	30		KKEAMN
N#Cc1ccccc1COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br	ZINC000097960890	553873968	/nfs/dbraw/zinc/87/39/68/553873968.db2.gz	JNFLVTXECGIXMC-NDENLUEZSA-N	0	1	518.392	5.571	50	30		KKEAMN
C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C(C)C)C3)cc1	ZINC000097963429	553890260	/nfs/dbraw/zinc/89/02/60/553890260.db2.gz	IWPZDRMPXUEIHN-UHFFFAOYSA-N	0	1	592.812	6.406	50	30		KKEAMN
C=CCc1ccccc1OCCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC	ZINC000097966210	553907570	/nfs/dbraw/zinc/90/75/70/553907570.db2.gz	PVFWNDCJWMGJRH-JWGURIENSA-N	0	1	549.421	5.105	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000097966753	553909925	/nfs/dbraw/zinc/90/99/25/553909925.db2.gz	CVJKRKDNGPPZTI-NDEPHWFRSA-N	0	1	581.496	5.791	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000097966754	553909998	/nfs/dbraw/zinc/90/99/98/553909998.db2.gz	CVJKRKDNGPPZTI-MUUNZHRXSA-N	0	1	581.496	5.791	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000097966844	553911081	/nfs/dbraw/zinc/91/10/81/553911081.db2.gz	OGWCBFZVKWTKIE-ROTAYESASA-N	0	1	565.622	6.359	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OC(C)C	ZINC000097966846	553911095	/nfs/dbraw/zinc/91/10/95/553911095.db2.gz	FOBUOIKFHJJRTL-VWLOTQADSA-N	0	1	547.479	5.390	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000097966898	553911464	/nfs/dbraw/zinc/91/14/64/553911464.db2.gz	DGXCQHQFGBQNHU-PGUFJCEWSA-N	0	1	618.730	6.667	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000097966972	553912687	/nfs/dbraw/zinc/91/26/87/553912687.db2.gz	GPPBZDNWKZOYSY-WJOKGBTCSA-N	0	1	646.721	7.701	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000097967063	553913391	/nfs/dbraw/zinc/91/33/91/553913391.db2.gz	WEGYRGQEFZMWQR-JPZYQRIQSA-N	0	1	555.671	6.756	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000097967215	553915380	/nfs/dbraw/zinc/91/53/80/553915380.db2.gz	ACDQGJAYPDPCRM-APYJYERMSA-N	0	1	561.634	6.376	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000097967327	553916844	/nfs/dbraw/zinc/91/68/44/553916844.db2.gz	TXDTVXIBWAPKEC-OWJWWREXSA-N	0	1	577.634	6.215	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C	ZINC000097967343	553917181	/nfs/dbraw/zinc/91/71/81/553917181.db2.gz	NILAEUQPCJKQOY-LJAQVGFWSA-N	0	1	656.713	6.160	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097967377	553917503	/nfs/dbraw/zinc/91/75/03/553917503.db2.gz	GTHXRJOCSSNRFL-JCOAXYOVSA-N	0	1	665.768	7.655	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C	ZINC000097967387	553917645	/nfs/dbraw/zinc/91/76/45/553917645.db2.gz	HAMPJURZEFITQN-LGGPFLRQSA-N	0	1	559.663	5.309	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097967381	553917669	/nfs/dbraw/zinc/91/76/69/553917669.db2.gz	WLCAPYHJBBGDRB-NHRFMIRVSA-N	0	1	677.848	8.659	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097967375	553917736	/nfs/dbraw/zinc/91/77/36/553917736.db2.gz	GTHXRJOCSSNRFL-BGOLNKOXSA-N	0	1	665.768	7.655	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000097967503	553919313	/nfs/dbraw/zinc/91/93/13/553919313.db2.gz	NBCMWMRHEFYBPT-OHWKKVTOSA-N	0	1	707.874	8.668	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)s2)cc1	ZINC000097967500	553919435	/nfs/dbraw/zinc/91/94/35/553919435.db2.gz	AHTBQTNYGQAKDN-RCRUUEGKSA-N	0	1	641.815	7.670	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000097967576	553920096	/nfs/dbraw/zinc/92/00/96/553920096.db2.gz	DZIAGLHPKDBBAD-LJAQVGFWSA-N	0	1	670.740	6.490	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000097967591	553920674	/nfs/dbraw/zinc/92/06/74/553920674.db2.gz	RPALZPCDFUSIQJ-MYODQAERSA-N	0	1	571.869	7.363	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1	ZINC000097967733	553922361	/nfs/dbraw/zinc/92/23/61/553922361.db2.gz	DSYRIIJYHPDRLC-AUSOSSAASA-N	0	1	760.721	9.221	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C	ZINC000097967812	553923492	/nfs/dbraw/zinc/92/34/92/553923492.db2.gz	NJEQMFHQUVQSEO-LDLUVENISA-N	0	1	619.139	7.490	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097967994	553926080	/nfs/dbraw/zinc/92/60/80/553926080.db2.gz	DBRZIJQTLFVCMZ-AREMUKBSSA-N	0	1	619.696	6.312	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1	ZINC000097968007	553926131	/nfs/dbraw/zinc/92/61/31/553926131.db2.gz	ZSLBLIASEMFZGN-PSXMRANNSA-N	0	1	743.863	8.515	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097968039	553926548	/nfs/dbraw/zinc/92/65/48/553926548.db2.gz	RAHJEOYXSZVSFP-LJAQVGFWSA-N	0	1	637.739	6.936	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C	ZINC000097968028	553926621	/nfs/dbraw/zinc/92/66/21/553926621.db2.gz	AOFGDZORZSMUFP-HKBQPEDESA-N	0	1	687.840	7.517	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3F)s2)cc1	ZINC000097968030	553926637	/nfs/dbraw/zinc/92/66/37/553926637.db2.gz	DQTFQRBYERFOAM-DEOSSOPVSA-N	0	1	575.643	5.832	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097968020	553926694	/nfs/dbraw/zinc/92/66/94/553926694.db2.gz	WPYOQNRXECATOT-VWLOTQADSA-N	0	1	622.124	6.437	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097968046	553926924	/nfs/dbraw/zinc/92/69/24/553926924.db2.gz	AQAXVAHUTIQKJC-GDLZYMKVSA-N	0	1	694.231	7.616	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000097968073	553926997	/nfs/dbraw/zinc/92/69/97/553926997.db2.gz	JBFUHULSNCKJHE-QJWGWKRISA-N	0	1	740.731	9.211	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097968056	553927136	/nfs/dbraw/zinc/92/71/36/553927136.db2.gz	BZVAKFLIKXDIKU-SSEXGKCCSA-N	0	1	691.803	7.491	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097968105	553927892	/nfs/dbraw/zinc/92/78/92/553927892.db2.gz	AULUGEMZVSFNTB-MYYSRTQBSA-N	0	1	594.089	6.729	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097968128	553928017	/nfs/dbraw/zinc/92/80/17/553928017.db2.gz	PBHQDNYFMDEVKP-MUUNZHRXSA-N	0	1	629.760	6.954	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000097968111	553928021	/nfs/dbraw/zinc/92/80/21/553928021.db2.gz	ZDDHKJGHTFTGIT-RUZDIDTESA-N	0	1	587.679	5.702	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1	ZINC000097968135	553928367	/nfs/dbraw/zinc/92/83/67/553928367.db2.gz	CWWWWTYROUCXLF-LJAQVGFWSA-N	0	1	626.687	6.186	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1	ZINC000097968134	553928409	/nfs/dbraw/zinc/92/84/09/553928409.db2.gz	CWWWWTYROUCXLF-GDLZYMKVSA-N	0	1	626.687	6.186	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC	ZINC000097968278	553930049	/nfs/dbraw/zinc/93/00/49/553930049.db2.gz	LPIQYEURHMLBNI-DEOSSOPVSA-N	0	1	564.616	5.006	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000097968264	553930113	/nfs/dbraw/zinc/93/01/13/553930113.db2.gz	JGABDXVDFVQRKG-XMMPIXPASA-N	0	1	573.652	5.393	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(O)c3)ccc2O1	ZINC000097968353	553930743	/nfs/dbraw/zinc/93/07/43/553930743.db2.gz	PCNKJAZIVDQLJD-OYLFLEFRSA-N	0	1	575.643	5.781	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1	ZINC000033354696	553930817	/nfs/dbraw/zinc/93/08/17/553930817.db2.gz	KTDIKEKGDOVVHM-JXSYCYSGSA-N	0	1	619.161	8.639	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000097968339	553930890	/nfs/dbraw/zinc/93/08/90/553930890.db2.gz	VFQMQIPRNIZNKH-XMMPIXPASA-N	0	1	601.662	5.171	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000097968371	553931494	/nfs/dbraw/zinc/93/14/94/553931494.db2.gz	MQEBWPUPNLLRBK-HHHXNRCGSA-N	0	1	611.676	6.677	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097968407	553932014	/nfs/dbraw/zinc/93/20/14/553932014.db2.gz	ZFNCNKOWNWQFCI-PMERELPUSA-N	0	1	673.813	7.352	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000097968386	553932024	/nfs/dbraw/zinc/93/20/24/553932024.db2.gz	KICWYYPJCWGRMX-QHCPKHFHSA-N	0	1	612.516	6.691	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097968388	553932045	/nfs/dbraw/zinc/93/20/45/553932045.db2.gz	DNGNDUUIHCQRJL-SANMLTNESA-N	0	1	636.151	6.827	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O	ZINC000097968418	553932403	/nfs/dbraw/zinc/93/24/03/553932403.db2.gz	KOIGESPLGCVLLV-SPSFWMDKSA-N	0	1	611.445	6.018	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097968432	553932531	/nfs/dbraw/zinc/93/25/31/553932531.db2.gz	GINNWSRVJHVZAN-HHHXNRCGSA-N	0	1	613.717	6.258	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)c(C)c1	ZINC000097969103	553936658	/nfs/dbraw/zinc/93/66/58/553936658.db2.gz	NKGJHXOTQOSOLL-SANMLTNESA-N	0	1	571.512	5.237	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000097969157	553937521	/nfs/dbraw/zinc/93/75/21/553937521.db2.gz	VHZWXNNUDXQQAB-LFPIHBKWSA-N	0	1	551.451	7.018	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097969191	553937701	/nfs/dbraw/zinc/93/77/01/553937701.db2.gz	NUSWFWKZBZNRLE-AFJIDDCJSA-N	0	1	662.233	8.159	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097969192	553937892	/nfs/dbraw/zinc/93/78/92/553937892.db2.gz	NUSWFWKZBZNRLE-WRONEBCDSA-N	0	1	662.233	8.159	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccncc2)cc1OC	ZINC000097969227	553938421	/nfs/dbraw/zinc/93/84/21/553938421.db2.gz	RTMGKPFMHPKMNI-PMERELPUSA-N	0	1	550.611	5.765	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC	ZINC000097969298	553939277	/nfs/dbraw/zinc/93/92/77/553939277.db2.gz	KRRUGKLDGCKFSV-NDEPHWFRSA-N	0	1	602.665	6.047	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1	ZINC000097969304	553939383	/nfs/dbraw/zinc/93/93/83/553939383.db2.gz	IYRWEOCMHHKBJK-RQZFFVEVSA-N	0	1	639.129	7.644	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097969283	553939432	/nfs/dbraw/zinc/93/94/32/553939432.db2.gz	ZSFREEOKHPESSI-DNOBIOAJSA-N	0	1	632.163	7.155	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097969336	553939668	/nfs/dbraw/zinc/93/96/68/553939668.db2.gz	WHQXNSFCKMKFMA-WINIVTDRSA-N	0	1	597.718	6.502	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000097969403	553940344	/nfs/dbraw/zinc/94/03/44/553940344.db2.gz	MEHLUCKNHPBSLM-JPZYQRIQSA-N	0	1	555.671	6.409	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Br)cc1	ZINC000097969465	553941082	/nfs/dbraw/zinc/94/10/82/553941082.db2.gz	YSAVQOLNPYZMJU-LJAQVGFWSA-N	0	1	605.529	5.637	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000097969651	553943379	/nfs/dbraw/zinc/94/33/79/553943379.db2.gz	VLCALTNROZAOOJ-PUAOIOHZSA-N	0	1	606.125	6.599	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000097969810	553945513	/nfs/dbraw/zinc/94/55/13/553945513.db2.gz	JONNWPWVOCBTFL-ODCWNRFASA-N	0	1	591.483	6.564	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097969858	553945931	/nfs/dbraw/zinc/94/59/31/553945931.db2.gz	HMFOROSSGMGAEQ-HMILPKGGSA-N	0	1	629.760	6.734	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1	ZINC000097969951	553947362	/nfs/dbraw/zinc/94/73/62/553947362.db2.gz	WAMPXBLPDXESLM-LJAQVGFWSA-N	0	1	592.629	6.651	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000097970035	553948711	/nfs/dbraw/zinc/94/87/11/553948711.db2.gz	CQFNRBHTFXLVBR-ADXZGYQBSA-N	0	1	621.740	7.099	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C	ZINC000097970067	553949022	/nfs/dbraw/zinc/94/90/22/553949022.db2.gz	AUIKROCVVBFSSI-AREMUKBSSA-N	0	1	604.681	5.773	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097970115	553949603	/nfs/dbraw/zinc/94/96/03/553949603.db2.gz	XTZZZZDKMWQPDM-DNOBIOAJSA-N	0	1	617.724	6.865	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000097970132	553950034	/nfs/dbraw/zinc/95/00/34/553950034.db2.gz	HPSYUKJYSZXWJD-HSZRJFAPSA-N	0	1	625.453	5.336	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C	ZINC000097970128	553950120	/nfs/dbraw/zinc/95/01/20/553950120.db2.gz	LJJBLXGONNSSAK-NDEPHWFRSA-N	0	1	626.687	6.179	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097970153	553950453	/nfs/dbraw/zinc/95/04/53/553950453.db2.gz	MTKXQTKARLKASV-WRHNGFHOSA-N	0	1	647.750	6.873	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1	ZINC000097970201	553950784	/nfs/dbraw/zinc/95/07/84/553950784.db2.gz	BEQZGUPZGZIKEH-KATKFWMUSA-N	0	1	709.821	8.054	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097970247	553951640	/nfs/dbraw/zinc/95/16/40/553951640.db2.gz	QJODPTZUVUUFST-UKPGIYTDSA-N	0	1	649.794	7.879	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097970245	553951765	/nfs/dbraw/zinc/95/17/65/553951765.db2.gz	QJODPTZUVUUFST-BGOLNKOXSA-N	0	1	649.794	7.879	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C	ZINC000097970294	553952020	/nfs/dbraw/zinc/95/20/20/553952020.db2.gz	CBWHGNCIVAOMEX-KEEVHDRGSA-N	0	1	654.741	6.712	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000097970323	553952597	/nfs/dbraw/zinc/95/25/97/553952597.db2.gz	MLPWQONVIIZLMF-HKBQPEDESA-N	0	1	568.198	9.408	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000097970306	553952625	/nfs/dbraw/zinc/95/26/25/553952625.db2.gz	OHNPKJGVLJIHBL-IVCQMTBJSA-N	0	1	617.680	5.862	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C	ZINC000097970412	553953708	/nfs/dbraw/zinc/95/37/08/553953708.db2.gz	PMBWGHQBHSZRTE-HHHXNRCGSA-N	0	1	612.660	5.761	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097970474	553954676	/nfs/dbraw/zinc/95/46/76/553954676.db2.gz	BZLPTEFJJCHWLY-HMILPKGGSA-N	0	1	648.206	7.769	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC	ZINC000097970548	553955923	/nfs/dbraw/zinc/95/59/23/553955923.db2.gz	PLFISMGMIUOJHY-SANMLTNESA-N	0	1	574.611	5.266	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2	ZINC000097970651	553957180	/nfs/dbraw/zinc/95/71/80/553957180.db2.gz	QAXDMWSCTJDGAS-QFIPXVFZSA-N	0	1	583.847	6.266	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000097970684	553957511	/nfs/dbraw/zinc/95/75/11/553957511.db2.gz	NYZUGZYVSKDJKD-PMERELPUSA-N	0	1	557.643	6.204	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C	ZINC000097970732	553957819	/nfs/dbraw/zinc/95/78/19/553957819.db2.gz	SOYMKGATFRQZAA-IIMAJNMQSA-N	0	1	556.659	6.007	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097970761	553958216	/nfs/dbraw/zinc/95/82/16/553958216.db2.gz	BGJCALJOSRDVQH-SLQAJWMNSA-N	0	1	676.216	7.554	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000097970741	553958226	/nfs/dbraw/zinc/95/82/26/553958226.db2.gz	NFVATYSAUKUBCP-HSZRJFAPSA-N	0	1	579.428	5.622	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C	ZINC000097970748	553958238	/nfs/dbraw/zinc/95/82/38/553958238.db2.gz	PWYZTXOLDASBGL-UGDMGKLASA-N	0	1	671.841	7.760	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C	ZINC000097970749	553958251	/nfs/dbraw/zinc/95/82/51/553958251.db2.gz	PWYZTXOLDASBGL-JPZYQRIQSA-N	0	1	671.841	7.760	50	30		KKEAMN
Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000097970955	553959893	/nfs/dbraw/zinc/95/98/93/553959893.db2.gz	DXYCMAVYPSEBEB-PMERELPUSA-N	0	1	540.660	5.183	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097970961	553959927	/nfs/dbraw/zinc/95/99/27/553959927.db2.gz	MXPAMLPHAJMDDF-JPZYQRIQSA-N	0	1	555.671	6.409	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1	ZINC000097971032	553960532	/nfs/dbraw/zinc/96/05/32/553960532.db2.gz	WODWWEJGNSZMCJ-JGCGQSQUSA-N	0	1	582.741	6.172	50	30		KKEAMN
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(C)=O	ZINC000008860528	561708794	/nfs/dbraw/zinc/70/87/94/561708794.db2.gz	XPAXRSJGGFVTFM-RUZDIDTESA-O	0	1	538.683	5.782	50	30	in-vitro	KKEAMN
CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1	ZINC000097999744	554045676	/nfs/dbraw/zinc/04/56/76/554045676.db2.gz	KVFGNMQCZMIODP-OIVXELCOSA-N	0	1	649.187	8.637	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1	ZINC000097999756	554045692	/nfs/dbraw/zinc/04/56/92/554045692.db2.gz	IPAUTQWAMCBSTQ-YLZGDECLSA-N	0	1	665.230	9.273	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1	ZINC000097999834	554046193	/nfs/dbraw/zinc/04/61/93/554046193.db2.gz	FQAVNYLSQUPLDZ-XOAACPPSSA-N	0	1	607.150	8.547	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000097999961	554047420	/nfs/dbraw/zinc/04/74/20/554047420.db2.gz	CXRGNZRJGVFBFL-HUBRWUETSA-N	0	1	625.121	7.589	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000098000286	554049882	/nfs/dbraw/zinc/04/98/82/554049882.db2.gz	HAMHICGBAONEIL-ULKXQASOSA-N	0	1	570.686	6.668	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000098000287	554049915	/nfs/dbraw/zinc/04/99/15/554049915.db2.gz	HAMHICGBAONEIL-DHYKOVJISA-N	0	1	570.686	6.668	50	30		KKEAMN
O=C(c1ccc(Cl)c(Cl)c1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000098000317	554050256	/nfs/dbraw/zinc/05/02/56/554050256.db2.gz	ZONZGPCOAPCOMI-SLQAJWMNSA-N	0	1	563.868	8.454	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)cc1	ZINC000098000310	554050277	/nfs/dbraw/zinc/05/02/77/554050277.db2.gz	KFHIYXQKPYEBNI-WJVKJDHCSA-N	0	1	556.662	6.925	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)C3)[C@H]2c2ccc(F)cc2)cc(OC)c1OC	ZINC000098003669	554055807	/nfs/dbraw/zinc/05/58/07/554055807.db2.gz	BGHHKUPZFVNSFJ-GNTYDJQKSA-N	0	1	634.748	8.363	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cc(OC)c(OC)c(OC)c4)[C@H]3c3ccccc3Cl)C2)cc1	ZINC000098003643	554055847	/nfs/dbraw/zinc/05/58/47/554055847.db2.gz	XAVGEGVDXFOCSG-RIPCNWKXSA-N	0	1	625.121	7.589	50	30		KKEAMN
N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@H](c1cccs1)N1CCCCC1	ZINC000035671622	554062537	/nfs/dbraw/zinc/06/25/37/554062537.db2.gz	DVSJSWYUWIKLTP-RUZDIDTESA-N	0	1	519.070	7.146	50	30		KKEAMN
N#Cc1c(=O)[nH]c(-c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc43)cc2)cc1-c1cccc(Cl)c1	ZINC000098008946	554068193	/nfs/dbraw/zinc/06/81/93/554068193.db2.gz	BIWLJLSMAJNKPP-UHFFFAOYSA-N	0	1	516.910	7.545	50	30		KKEAMN
COc1cc([C@@H]2C3=C(C[C@@H](c4cccc(F)c4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC	ZINC000098045532	554132125	/nfs/dbraw/zinc/13/21/25/554132125.db2.gz	RFSHKVGKTAATEB-OGPYBGEISA-N	0	1	662.545	8.764	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000098045752	554133533	/nfs/dbraw/zinc/13/35/33/554133533.db2.gz	PYHXBXJDNGJBOX-FPTDNZKUSA-N	0	1	534.565	5.040	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)cc1C	ZINC000098046336	554137930	/nfs/dbraw/zinc/13/79/30/554137930.db2.gz	FBPLRWIQULXJFN-HXUWFJFHSA-N	0	1	526.998	5.382	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC=C)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000098046350	554137956	/nfs/dbraw/zinc/13/79/56/554137956.db2.gz	ORGHLBVVKYEQGC-QHCPKHFHSA-N	0	1	565.047	6.104	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000098046508	554139781	/nfs/dbraw/zinc/13/97/81/554139781.db2.gz	ANMMKYXBHXLOOS-RUZDIDTESA-N	0	1	626.131	7.203	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F	ZINC000098046505	554139823	/nfs/dbraw/zinc/13/98/23/554139823.db2.gz	HZFSFDZQUCUYMY-PMERELPUSA-N	0	1	704.201	8.002	50	30		KKEAMN
CC(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000098046532	554140331	/nfs/dbraw/zinc/14/03/31/554140331.db2.gz	MZXSUSFPRGBNBG-SANMLTNESA-N	0	1	602.137	8.136	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OC	ZINC000098046575	554141099	/nfs/dbraw/zinc/14/10/99/554141099.db2.gz	ZRZCCCZISWHQBN-AFJIDDCJSA-N	0	1	542.632	5.761	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000098046605	554141510	/nfs/dbraw/zinc/14/15/10/554141510.db2.gz	MNWANIXQDNYJRV-SANMLTNESA-N	0	1	670.596	7.480	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000098046637	554142046	/nfs/dbraw/zinc/14/20/46/554142046.db2.gz	KSCFUIGABHQALK-HXUWFJFHSA-N	0	1	568.677	5.834	50	30		KKEAMN
Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000098046668	554142298	/nfs/dbraw/zinc/14/22/98/554142298.db2.gz	NDZRBTZSUMVPGL-PMERELPUSA-N	0	1	540.660	5.183	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000098046666	554142335	/nfs/dbraw/zinc/14/23/35/554142335.db2.gz	GYPCVEUZHSBXPE-QFIPXVFZSA-N	0	1	565.604	5.498	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(Br)cc2)s1	ZINC000098046687	554142443	/nfs/dbraw/zinc/14/24/43/554142443.db2.gz	VBTAZKLZFPNRGT-XMMPIXPASA-N	0	1	576.472	6.279	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(Br)cc3)cc2)c1	ZINC000098046681	554142459	/nfs/dbraw/zinc/14/24/59/554142459.db2.gz	VGXSYUZFQVISCA-MUUNZHRXSA-N	0	1	569.455	6.510	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)cc2)c1	ZINC000098046703	554142726	/nfs/dbraw/zinc/14/27/26/554142726.db2.gz	HTTHFQXPMGCBCQ-PGUFJCEWSA-N	0	1	596.683	7.327	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000098046714	554142863	/nfs/dbraw/zinc/14/28/63/554142863.db2.gz	HESCSUOHCFFRKI-QFIPXVFZSA-N	0	1	550.061	6.275	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC	ZINC000098047257	554148321	/nfs/dbraw/zinc/14/83/21/554148321.db2.gz	GJEWFBCFACPSOQ-GDLZYMKVSA-N	0	1	657.745	7.322	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccncc2)cc1F	ZINC000098047261	554148392	/nfs/dbraw/zinc/14/83/92/554148392.db2.gz	XFBWYUFAZAGBDD-RUZDIDTESA-N	0	1	584.654	6.309	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1OC	ZINC000098047299	554148882	/nfs/dbraw/zinc/14/88/82/554148882.db2.gz	VRLZYWIMDAVORX-GDLZYMKVSA-N	0	1	553.615	5.148	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1	ZINC000098047404	554150394	/nfs/dbraw/zinc/15/03/94/554150394.db2.gz	YOLIEUDFPSCCAL-GDLZYMKVSA-N	0	1	647.794	8.110	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000098047423	554150856	/nfs/dbraw/zinc/15/08/56/554150856.db2.gz	PBMXAJSUUXQDBA-PMERELPUSA-N	0	1	661.821	8.500	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCCC)cc2)cc1	ZINC000098047433	554150913	/nfs/dbraw/zinc/15/09/13/554150913.db2.gz	DZGRNIGFWOHFPH-NDEPHWFRSA-N	0	1	650.222	8.234	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCC)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000098047442	554151020	/nfs/dbraw/zinc/15/10/20/554151020.db2.gz	SCVQCIRACJXZAH-HSZRJFAPSA-N	0	1	567.063	6.328	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000098047461	554151375	/nfs/dbraw/zinc/15/13/75/554151375.db2.gz	MGUPLUGMFXZFDC-SANMLTNESA-N	0	1	633.723	6.718	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000098047464	554151467	/nfs/dbraw/zinc/15/14/67/554151467.db2.gz	MVBFEUCFTAAZFD-AREMUKBSSA-N	0	1	650.178	7.232	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OC	ZINC000098047500	554151741	/nfs/dbraw/zinc/15/17/41/554151741.db2.gz	XHJKVJKVUISHKB-NDEPHWFRSA-N	0	1	634.751	6.800	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC	ZINC000098047523	554152293	/nfs/dbraw/zinc/15/22/93/554152293.db2.gz	YDSPLYPBZBJGJR-NDEPHWFRSA-N	0	1	636.767	7.168	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000098047530	554152319	/nfs/dbraw/zinc/15/23/19/554152319.db2.gz	OJPYWIPEXOFVHF-SSEXGKCCSA-N	0	1	664.821	7.660	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000098047560	554152610	/nfs/dbraw/zinc/15/26/10/554152610.db2.gz	JAWOLFPVCYJWOW-XIFFEERXSA-N	0	1	701.911	9.068	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000098047562	554152620	/nfs/dbraw/zinc/15/26/20/554152620.db2.gz	DJRTVLGHENFYLA-DEOSSOPVSA-N	0	1	593.658	6.134	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1	ZINC000098047548	554152675	/nfs/dbraw/zinc/15/26/75/554152675.db2.gz	OBFBNFKSZXOQDR-HKBQPEDESA-N	0	1	673.857	8.370	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OCC	ZINC000098047556	554152691	/nfs/dbraw/zinc/15/26/91/554152691.db2.gz	BGBCRJQSCLMQOD-HKBQPEDESA-N	0	1	678.848	8.194	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1	ZINC000098047575	554153019	/nfs/dbraw/zinc/15/30/19/554153019.db2.gz	ZOLNMYZSHRPYJT-WJOKGBTCSA-N	0	1	691.847	8.509	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccccc2F)cc1	ZINC000098047597	554153047	/nfs/dbraw/zinc/15/30/47/554153047.db2.gz	LUIFKGVYLKJAEU-AREMUKBSSA-N	0	1	589.714	7.240	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000098047626	554153369	/nfs/dbraw/zinc/15/33/69/554153369.db2.gz	OASKTQSFNBINBR-MHZLTWQESA-N	0	1	635.739	6.949	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000098047609	554153588	/nfs/dbraw/zinc/15/35/88/554153588.db2.gz	OAEUFPLORWPBJC-AREMUKBSSA-N	0	1	616.721	7.009	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000098047648	554153895	/nfs/dbraw/zinc/15/38/95/554153895.db2.gz	XJPWRNLEOMYDTM-VWLOTQADSA-N	0	1	620.684	6.840	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(Br)cc2)cc1Cl	ZINC000098047685	554154472	/nfs/dbraw/zinc/15/44/72/554154472.db2.gz	IWDVMCHFAOYJCV-JOCHJYFZSA-N	0	1	536.850	5.895	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC	ZINC000098047715	554155028	/nfs/dbraw/zinc/15/50/28/554155028.db2.gz	DOEBYSNKOXOLEX-JGCGQSQUSA-N	0	1	699.826	8.492	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047704	554155038	/nfs/dbraw/zinc/15/50/38/554155038.db2.gz	YHBRZJQSXFARJF-NDEPHWFRSA-N	0	1	627.719	7.313	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(N(C)C)cc2)cc1F	ZINC000098047720	554155052	/nfs/dbraw/zinc/15/50/52/554155052.db2.gz	HCPMZPNPQLYOHC-NDEPHWFRSA-N	0	1	626.735	6.980	50	30		KKEAMN
CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047744	554155288	/nfs/dbraw/zinc/15/52/88/554155288.db2.gz	DFWIALPNXZDINP-NDEPHWFRSA-N	0	1	611.720	7.477	50	30		KKEAMN
CCc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047752	554155358	/nfs/dbraw/zinc/15/53/58/554155358.db2.gz	LDCNYZBTKXQTRM-NDEPHWFRSA-N	0	1	595.721	7.776	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC	ZINC000098047759	554155817	/nfs/dbraw/zinc/15/58/17/554155817.db2.gz	ZFIYFIDOAUZUTP-JGCGQSQUSA-N	0	1	697.835	7.971	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1OC	ZINC000098047808	554156176	/nfs/dbraw/zinc/15/61/76/554156176.db2.gz	FMPLMMDLHAIDCC-XIFFEERXSA-N	0	1	687.799	8.576	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1OC	ZINC000098047798	554156193	/nfs/dbraw/zinc/15/61/93/554156193.db2.gz	OYZKKNHAWQMVHG-DHUJRADRSA-N	0	1	731.852	8.371	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1OC	ZINC000098047797	554156250	/nfs/dbraw/zinc/15/62/50/554156250.db2.gz	OYZKKNHAWQMVHG-PGUFJCEWSA-N	0	1	731.852	8.371	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C(C)C)cc2)cc1F	ZINC000098047844	554156641	/nfs/dbraw/zinc/15/66/41/554156641.db2.gz	CSJQJBHMBQWVPP-LJAQVGFWSA-N	0	1	609.748	8.337	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC	ZINC000098047830	554156665	/nfs/dbraw/zinc/15/66/65/554156665.db2.gz	JSKJPLZOMCIPSO-YTTGMZPUSA-N	0	1	683.827	8.792	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccccc2)cc1F	ZINC000098047835	554156782	/nfs/dbraw/zinc/15/67/82/554156782.db2.gz	MZYLPVZNQIAZGJ-AREMUKBSSA-N	0	1	567.667	7.214	50	30		KKEAMN
CCOc1cc(-c2nc3ccccn3c2/N=C/c2cc(Br)cc(Br)c2O)ccc1O	ZINC000100057413	554197089	/nfs/dbraw/zinc/19/70/89/554197089.db2.gz	CAJHXOCCVUZDGL-BRJLIKDPSA-N	0	1	531.204	6.087	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)C=Cc2ccccc2)cc1	ZINC000100110002	554221073	/nfs/dbraw/zinc/22/10/73/554221073.db2.gz	DAYVAWMIUVUNQJ-UHTZCKFUSA-N	0	1	610.754	8.385	50	30		KKEAMN
COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)c1cccc2ccccc21	ZINC000100142033	554228252	/nfs/dbraw/zinc/22/82/52/554228252.db2.gz	LVYWWXMWWHDMLL-GRMGDBHTSA-N	0	1	540.619	7.656	50	30		KKEAMN
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnc2ccc(OC)cc21	ZINC000100144917	554230326	/nfs/dbraw/zinc/23/03/26/554230326.db2.gz	IQMKPBFOEWWDIQ-BZXROKRSSA-N	0	1	594.625	7.205	50	30		KKEAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2ccc(Cl)c(Cl)c2)C2=C1C(=O)CC(C)(C)C2	ZINC000100229705	554255027	/nfs/dbraw/zinc/25/50/27/554255027.db2.gz	PRJQMUUABYZLEP-AREMUKBSSA-N	0	1	564.391	6.271	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2Cl)[C@H]3c2ccc(F)cc2)cc1	ZINC000049771674	554325612	/nfs/dbraw/zinc/32/56/12/554325612.db2.gz	HIDBFCAYHFMHLE-WOPWWUTRSA-N	0	1	579.115	8.991	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccc(Cl)cc1Cl	ZINC000053262141	554330610	/nfs/dbraw/zinc/33/06/10/554330610.db2.gz	FCQMRHTYXCHRAB-GRMGDBHTSA-N	0	1	589.607	9.772	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(Br)cc2)no1	ZINC000053290498	554331168	/nfs/dbraw/zinc/33/11/68/554331168.db2.gz	WUUYWHBJBCXJEU-HXUWFJFHSA-N	0	1	560.242	6.280	50	30		KKEAMN
CCCOc1ccccc1[C@@H]1C2=C(C[C@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)C(F)(F)F	ZINC000053305926	554333109	/nfs/dbraw/zinc/33/31/09/554333109.db2.gz	ZBTVEZAYTNGJOI-AFJIDDCJSA-N	0	1	550.577	6.947	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1	ZINC000053305944	554333177	/nfs/dbraw/zinc/33/31/77/554333177.db2.gz	UWIPQGCYRGWLSD-QHCPKHFHSA-N	0	1	534.565	5.634	50	30		KKEAMN
CCCOc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)C(F)(F)F	ZINC000053305932	554333211	/nfs/dbraw/zinc/33/32/11/554333211.db2.gz	ZBTVEZAYTNGJOI-ACSYHNTCSA-N	0	1	550.577	6.947	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccc(Br)cc1)c1ccc(Br)cc1	ZINC000053306731	554334321	/nfs/dbraw/zinc/33/43/21/554334321.db2.gz	IIRDJWGAAQSTPX-LJQANCHMSA-N	0	1	593.069	6.152	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000053306656	554334400	/nfs/dbraw/zinc/33/44/00/554334400.db2.gz	JENQNAUBTOCBKY-QFIPXVFZSA-N	0	1	553.409	6.380	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000053306917	554334799	/nfs/dbraw/zinc/33/47/99/554334799.db2.gz	DICJVILJXIRMTE-JOCHJYFZSA-N	0	1	535.419	6.240	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1O[C@@H](C)CC	ZINC000053307612	554335196	/nfs/dbraw/zinc/33/51/96/554335196.db2.gz	OPQAWJZBDQKYQD-WTQODHIZSA-N	0	1	554.687	7.192	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(Br)cc1)c1ccc(Br)cc1	ZINC000053307673	554335595	/nfs/dbraw/zinc/33/55/95/554335595.db2.gz	GYBOOIGZHWCERQ-HXUWFJFHSA-N	0	1	545.231	5.077	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000053319107	554335788	/nfs/dbraw/zinc/33/57/88/554335788.db2.gz	UVVKOCZHHIHNEV-ZLOXQWCVSA-N	0	1	520.969	6.195	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)ccc1OCc1ccccc1	ZINC000053319188	554336627	/nfs/dbraw/zinc/33/66/27/554336627.db2.gz	UAUPIITZAUFBIS-NDEPHWFRSA-N	0	1	569.455	6.510	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000053319263	554336973	/nfs/dbraw/zinc/33/69/73/554336973.db2.gz	GTMLXPDRDOIMPR-OAQYLSRUSA-N	0	1	539.009	5.548	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000053319480	554338246	/nfs/dbraw/zinc/33/82/46/554338246.db2.gz	ZMDCQHHISBEVJV-URAOTHONSA-N	0	1	532.596	5.763	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1	ZINC000053319522	554338635	/nfs/dbraw/zinc/33/86/35/554338635.db2.gz	XWMHSTMHZLKCHB-HGGZLQRRSA-N	0	1	593.123	8.238	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000053332845	554339577	/nfs/dbraw/zinc/33/95/77/554339577.db2.gz	CTNKZZABOCLISV-KRWDZBQOSA-N	0	1	547.814	5.437	50	30		KKEAMN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000053335449	554340963	/nfs/dbraw/zinc/34/09/63/554340963.db2.gz	FRIAQUHPVYHLTD-QFIPXVFZSA-N	0	1	551.349	5.317	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000053335744	554341014	/nfs/dbraw/zinc/34/10/14/554341014.db2.gz	GHNZOHDWWXPRBM-XMMPIXPASA-N	0	1	549.004	5.903	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(OCc2ccccc2)c1	ZINC000053336098	554341353	/nfs/dbraw/zinc/34/13/53/554341353.db2.gz	UKPMPJNNTVMMKW-GDLZYMKVSA-N	0	1	534.568	5.210	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000053336504	554341912	/nfs/dbraw/zinc/34/19/12/554341912.db2.gz	QEWFQXCLQSYKSZ-GDLZYMKVSA-N	0	1	543.616	5.670	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@@H]1c1cccc(Br)c1	ZINC000053337712	554342434	/nfs/dbraw/zinc/34/24/34/554342434.db2.gz	TWUNGQXFURUYFL-QNLPTKCRSA-N	0	1	557.532	8.238	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000053338199	554342678	/nfs/dbraw/zinc/34/26/78/554342678.db2.gz	QNSTYPFZIKYSGC-XMMPIXPASA-N	0	1	527.558	5.722	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000053339751	554343977	/nfs/dbraw/zinc/34/39/77/554343977.db2.gz	XNIGJGAWZCGMHS-OAQYLSRUSA-N	0	1	539.382	5.989	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000053340581	554344132	/nfs/dbraw/zinc/34/41/32/554344132.db2.gz	KUFJBIDMYSJUHU-QHCPKHFHSA-N	0	1	531.546	5.395	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc(Cl)c2)cc1OC	ZINC000053359685	554345293	/nfs/dbraw/zinc/34/52/93/554345293.db2.gz	FWCDMNISLAQFNB-IANOAQMISA-N	0	1	565.069	7.572	50	30		KKEAMN
COc1ccc(CCN2C(=O)C(=O)C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000059090113	554372289	/nfs/dbraw/zinc/37/22/89/554372289.db2.gz	LCRAFFRIKXHPNY-DEOSSOPVSA-N	0	1	567.392	5.196	50	30		KKEAMN
COc1ccc(CCN2C(=O)C(=O)C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000059090111	554372307	/nfs/dbraw/zinc/37/23/07/554372307.db2.gz	LCRAFFRIKXHPNY-XMMPIXPASA-N	0	1	567.392	5.196	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000100675288	554443214	/nfs/dbraw/zinc/44/32/14/554443214.db2.gz	ARMMIXVDHHHZHX-DEOSSOPVSA-N	0	1	583.106	6.880	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000100674869	554443236	/nfs/dbraw/zinc/44/32/36/554443236.db2.gz	LBRVAJWPIMGXTK-XMMPIXPASA-N	0	1	566.651	6.365	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000100674845	554443270	/nfs/dbraw/zinc/44/32/70/554443270.db2.gz	WKQREQVNUGDQQH-XMMPIXPASA-N	0	1	583.106	6.880	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000100677239	554444218	/nfs/dbraw/zinc/44/42/18/554444218.db2.gz	MVAGHKDWIGXSRX-RUZDIDTESA-N	0	1	572.614	6.651	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1	ZINC000100677703	554444698	/nfs/dbraw/zinc/44/46/98/554444698.db2.gz	LAPDXXYUJNBTIY-JOCHJYFZSA-N	0	1	538.597	5.647	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1	ZINC000100678614	554445297	/nfs/dbraw/zinc/44/52/97/554445297.db2.gz	UFUJDUDMELDWTA-LJAQVGFWSA-N	0	1	538.575	5.895	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000100679413	554445312	/nfs/dbraw/zinc/44/53/12/554445312.db2.gz	SCNWSOPEVJMPKU-DEOSSOPVSA-N	0	1	610.685	5.616	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000100679379	554445358	/nfs/dbraw/zinc/44/53/58/554445358.db2.gz	FJUVDQTVLAARHY-QFIPXVFZSA-N	0	1	599.503	6.353	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000100679599	554445706	/nfs/dbraw/zinc/44/57/06/554445706.db2.gz	JXDUTKNCZVBARK-QFIPXVFZSA-N	0	1	538.597	5.729	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2F)cc1	ZINC000100679876	554445718	/nfs/dbraw/zinc/44/57/18/554445718.db2.gz	YAVDWDCUYVERTJ-QFIPXVFZSA-N	0	1	538.597	5.729	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2cccc(Br)c2)cc1	ZINC000100680060	554445950	/nfs/dbraw/zinc/44/59/50/554445950.db2.gz	VFUSHGIYHUWLBV-FQEVSTJZSA-N	0	1	528.428	5.571	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(O)cc2)nc1C	ZINC000100679957	554446213	/nfs/dbraw/zinc/44/62/13/554446213.db2.gz	BRUPHSIGBGSIMR-QHCPKHFHSA-N	0	1	548.617	5.462	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000100681198	554447573	/nfs/dbraw/zinc/44/75/73/554447573.db2.gz	FXPBHXYOZGRCFB-PMERELPUSA-N	0	1	537.612	6.816	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000100681164	554447637	/nfs/dbraw/zinc/44/76/37/554447637.db2.gz	VSIKBRXJLASUMY-PMERELPUSA-N	0	1	534.612	6.831	50	30		KKEAMN
Cc1c(C)c([N+](=O)[O-])ccc1-c1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)o1	ZINC000100924465	554523153	/nfs/dbraw/zinc/52/31/53/554523153.db2.gz	QPHUADWGAMXDEU-MUFRIFMGSA-N	0	1	530.564	5.976	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1	ZINC000101062635	554570622	/nfs/dbraw/zinc/57/06/22/554570622.db2.gz	MNRZSZBJIIKHHZ-YDJIHCHBSA-N	0	1	526.343	5.269	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccc(Br)cc1)c1ccc(Br)cc1	ZINC000101069764	554574121	/nfs/dbraw/zinc/57/41/21/554574121.db2.gz	VABWKHBTQRJDEN-LFVOPCPISA-N	0	1	593.069	5.995	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(Br)cc1)c1ccc(F)cc1	ZINC000101069841	554574444	/nfs/dbraw/zinc/57/44/44/554574444.db2.gz	IDSJQPIFTYDBNX-YDJIHCHBSA-N	0	1	527.346	5.963	50	30		KKEAMN
O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Br)cc1	ZINC000101072875	554576514	/nfs/dbraw/zinc/57/65/14/554576514.db2.gz	YXCQOMNBWWWNFL-GHNGSUTGSA-N	0	1	515.385	5.886	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000101072838	554576543	/nfs/dbraw/zinc/57/65/43/554576543.db2.gz	LHWNJMXHKUMHSU-WOOAAIBNSA-N	0	1	511.422	6.055	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Br)c1	ZINC000101101136	554588011	/nfs/dbraw/zinc/58/80/11/554588011.db2.gz	VICIDITZSZLAQX-MIOXIQPJSA-N	0	1	605.529	5.481	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1	ZINC000101101656	554638863	/nfs/dbraw/zinc/63/88/63/554638863.db2.gz	IJVYASUBARHRRY-ASBZNUFUSA-N	0	1	509.381	5.895	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc(Br)c1)c1ccccc1	ZINC000101101548	554638880	/nfs/dbraw/zinc/63/88/80/554638880.db2.gz	CGLBSFAUMHAGGJ-YDJIHCHBSA-N	0	1	509.356	5.824	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C	ZINC000101276843	554703598	/nfs/dbraw/zinc/70/35/98/554703598.db2.gz	GTFCYJNRTMNFAS-TXTDGAROSA-N	0	1	624.671	5.771	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000101310396	554717984	/nfs/dbraw/zinc/71/79/84/554717984.db2.gz	RCUZGQCEUPZHOD-WGGXKBPPSA-N	0	1	541.600	5.086	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F	ZINC000101338103	554734654	/nfs/dbraw/zinc/73/46/54/554734654.db2.gz	VUDJMPWFRUHZAV-NDEPHWFRSA-N	0	1	543.547	5.793	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000101353991	554738999	/nfs/dbraw/zinc/73/89/99/554738999.db2.gz	OGHXRBKLOUSPDW-ODCWNRFASA-N	0	1	557.584	5.710	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1	ZINC000101974839	554862878	/nfs/dbraw/zinc/86/28/78/554862878.db2.gz	QZYYIJGAOVWKKR-VWLOTQADSA-N	0	1	527.602	5.525	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000102076488	554874586	/nfs/dbraw/zinc/87/45/86/554874586.db2.gz	SVXQBIOFEBWELY-NGAXIMOQSA-N	0	1	501.579	5.650	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1	ZINC000102076714	554874764	/nfs/dbraw/zinc/87/47/64/554874764.db2.gz	WZXJOAAHVFSGKY-LODGOHBISA-N	0	1	512.606	5.452	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000102076766	554875062	/nfs/dbraw/zinc/87/50/62/554875062.db2.gz	HINXIMGUQRQBTO-TXTDGAROSA-N	0	1	513.590	5.505	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1	ZINC000102076729	554875117	/nfs/dbraw/zinc/87/51/17/554875117.db2.gz	WZXJOAAHVFSGKY-YREDKMEYSA-N	0	1	512.606	5.452	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000102076749	554875174	/nfs/dbraw/zinc/87/51/74/554875174.db2.gz	SWKARDYIBSDPNU-YREDKMEYSA-N	0	1	512.606	5.452	50	30		KKEAMN
CCCCCCCCCCCCCCCCCC(=O)Nc1[nH]n(-c2ccccc2)c(=O)c1Sc1nnnn1-c1ccccc1	ZINC000102165930	554890386	/nfs/dbraw/zinc/89/03/86/554890386.db2.gz	QCXUFOUWYUJIHY-WJOKGBTCSA-N	0	1	617.864	7.861	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C	ZINC000102175160	554891667	/nfs/dbraw/zinc/89/16/67/554891667.db2.gz	FDDYDUZWVLVULY-AYWGPLOBSA-N	0	1	505.442	5.320	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102484691	554938022	/nfs/dbraw/zinc/93/80/22/554938022.db2.gz	IICPQWDKFWIODD-LFVOPCPISA-N	0	1	511.353	5.287	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OC	ZINC000102493600	554939603	/nfs/dbraw/zinc/93/96/03/554939603.db2.gz	LBTYLUQSENKLSP-QMMFTLRZSA-N	0	1	567.642	5.300	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102494413	554940013	/nfs/dbraw/zinc/94/00/13/554940013.db2.gz	JLNDGDZSZCFNMI-HOGKFDNTSA-N	0	1	553.409	6.223	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1OC	ZINC000102497818	554941330	/nfs/dbraw/zinc/94/13/30/554941330.db2.gz	XGBMXZZBMBSLDT-CZNAVJSXSA-N	0	1	557.628	5.377	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(OC)cc3)sc2c1	ZINC000102502493	554943757	/nfs/dbraw/zinc/94/37/57/554943757.db2.gz	BLOZCFPKXTZERA-ZHHPLPSFSA-N	0	1	504.539	5.469	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000102504381	554944231	/nfs/dbraw/zinc/94/42/31/554944231.db2.gz	POSVLZQYGIGQFD-MNOIWJKESA-N	0	1	511.618	5.853	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cc1C	ZINC000102506528	554944569	/nfs/dbraw/zinc/94/45/69/554944569.db2.gz	CGQBWPMUFNJCJY-CJJGVWJISA-N	0	1	571.512	5.080	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000102509642	554946013	/nfs/dbraw/zinc/94/60/13/554946013.db2.gz	BSUDCSNARKTNDZ-QOISPNJLSA-N	0	1	525.645	6.243	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102515557	554947821	/nfs/dbraw/zinc/94/78/21/554947821.db2.gz	GOOCINJRHRLROQ-ZHHPLPSFSA-N	0	1	520.994	5.983	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C	ZINC000102519029	554948926	/nfs/dbraw/zinc/94/89/26/554948926.db2.gz	JHIBLDBLBOBGFG-WENCHWOGSA-N	0	1	556.659	5.851	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(OC)cc1	ZINC000102527270	554952579	/nfs/dbraw/zinc/95/25/79/554952579.db2.gz	XWTFMIMXKRFWTL-AHPONGEQSA-N	0	1	612.649	9.361	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102528015	554952786	/nfs/dbraw/zinc/95/27/86/554952786.db2.gz	OKOYKFXVOSPSIW-MOBKVPTQSA-N	0	1	525.413	6.628	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000102539251	554956735	/nfs/dbraw/zinc/95/67/35/554956735.db2.gz	PIGPILCLNHLEQL-CZNAVJSXSA-N	0	1	539.459	5.864	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1	ZINC000102545047	554958688	/nfs/dbraw/zinc/95/86/88/554958688.db2.gz	FLIHKECCZYLUMX-NHFXJNLRSA-N	0	1	531.175	5.977	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000102544540	554958693	/nfs/dbraw/zinc/95/86/93/554958693.db2.gz	ZMAUQISYADBSRA-KYWXLPDZSA-N	0	1	547.976	5.808	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000102547607	554959983	/nfs/dbraw/zinc/95/99/83/554959983.db2.gz	IZPONIVBIWBCRU-CZNAVJSXSA-N	0	1	613.648	6.050	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1	ZINC000102551503	554962272	/nfs/dbraw/zinc/96/22/72/554962272.db2.gz	QLVZKHWERKTSPP-VEZPTTSMSA-N	0	1	533.580	5.659	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000102559870	554967203	/nfs/dbraw/zinc/96/72/03/554967203.db2.gz	QPEWYZOUVUHSST-NXLSWJSLSA-N	0	1	565.003	5.364	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000102562472	554968688	/nfs/dbraw/zinc/96/86/88/554968688.db2.gz	DPIIJOYCKVMVNF-IUKMQXEJSA-N	0	1	563.031	6.136	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000102583966	554972803	/nfs/dbraw/zinc/97/28/03/554972803.db2.gz	OMZYFVUHTFQBJA-AYWGPLOBSA-N	0	1	596.061	6.020	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)s2)cc1	ZINC000102592387	554974147	/nfs/dbraw/zinc/97/41/47/554974147.db2.gz	WISVYORFJZHGNZ-SBXHHDGASA-N	0	1	575.643	5.675	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1	ZINC000102594321	554975379	/nfs/dbraw/zinc/97/53/79/554975379.db2.gz	GDQUFWUIGPSXRB-HOGKFDNTSA-N	0	1	517.887	6.002	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1OC	ZINC000102606162	554979050	/nfs/dbraw/zinc/97/90/50/554979050.db2.gz	WDEVPHKYIARATE-AREMUKBSSA-N	0	1	557.628	5.534	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000102607139	554979850	/nfs/dbraw/zinc/97/98/50/554979850.db2.gz	UEVGFXUCYAUHFM-AYWGPLOBSA-N	0	1	579.606	5.506	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000102608458	554980518	/nfs/dbraw/zinc/98/05/18/554980518.db2.gz	KZGDUITVDOHHDH-NXLSWJSLSA-N	0	1	591.642	5.376	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000102610327	554980791	/nfs/dbraw/zinc/98/07/91/554980791.db2.gz	VSMFVBKBTCOUAA-SBXHHDGASA-N	0	1	573.652	5.237	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1	ZINC000102614855	554984024	/nfs/dbraw/zinc/98/40/24/554984024.db2.gz	BEAOMPVNQLYSQI-IUKMQXEJSA-N	0	1	555.612	5.147	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000102617425	554984779	/nfs/dbraw/zinc/98/47/79/554984779.db2.gz	OCIPVPXTHYZOLQ-DZTJFIFISA-N	0	1	634.751	6.546	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102619770	554986297	/nfs/dbraw/zinc/98/62/97/554986297.db2.gz	PYOSDEBBSLPIEU-UUALVTFQSA-N	0	1	615.733	6.407	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCC)cc3C)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000102622253	554987425	/nfs/dbraw/zinc/98/74/25/554987425.db2.gz	LOZVACGLHSPDTE-HSZRJFAPSA-N	0	1	567.063	6.328	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000102622999	554987704	/nfs/dbraw/zinc/98/77/04/554987704.db2.gz	GNWMSTQDUWAUQN-UUALVTFQSA-N	0	1	611.676	6.520	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000102624492	554987892	/nfs/dbraw/zinc/98/78/92/554987892.db2.gz	OYUVONCGJOAIRR-CZNAVJSXSA-N	0	1	619.696	6.156	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C	ZINC000102646481	554992741	/nfs/dbraw/zinc/99/27/41/554992741.db2.gz	JHIBLDBLBOBGFG-ICQXDZJJSA-N	0	1	556.659	5.851	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000102650723	554995660	/nfs/dbraw/zinc/99/56/60/554995660.db2.gz	IZKBPPGLCPMLBM-ROBPHKHBSA-N	0	1	517.578	5.412	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102651519	554996174	/nfs/dbraw/zinc/99/61/74/554996174.db2.gz	PGLWOUMMOXGRTE-LXIOPLLASA-N	0	1	581.477	6.952	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000102652438	554996548	/nfs/dbraw/zinc/99/65/48/554996548.db2.gz	IABWBCMZBFEZJH-VTVSLZSGSA-N	0	1	627.788	7.267	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1	ZINC000102652226	554996552	/nfs/dbraw/zinc/99/65/52/554996552.db2.gz	IPAUEBUFQPGGIC-XLNMUAQOSA-N	0	1	565.420	6.148	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000102653389	554997166	/nfs/dbraw/zinc/99/71/66/554997166.db2.gz	CCCZHNLAEUEHKE-MIOXIQPJSA-N	0	1	558.631	5.442	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000102663146	555001083	/nfs/dbraw/zinc/00/10/83/555001083.db2.gz	HIIWMOVEWZBIAO-WBMUNJTESA-N	0	1	589.670	5.928	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(Cl)c(Cl)c2)s1	ZINC000102665799	555001743	/nfs/dbraw/zinc/00/17/43/555001743.db2.gz	OKBVGDJVMRLNSO-DBYMVTKNSA-N	0	1	502.379	5.103	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000102696155	555011320	/nfs/dbraw/zinc/01/13/20/555011320.db2.gz	KULKPSJHOUBNRM-AYWGPLOBSA-N	0	1	516.550	5.411	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102697129	555011909	/nfs/dbraw/zinc/01/19/09/555011909.db2.gz	VDCRYPIRFCOPKV-MIOXIQPJSA-N	0	1	528.649	5.346	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(OC)cc1	ZINC000102697939	555012089	/nfs/dbraw/zinc/01/20/89/555012089.db2.gz	OLEMSOHTXRNPLD-UUALVTFQSA-N	0	1	501.579	5.041	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(C(C)(C)C)cc3)cc2)c1	ZINC000102700419	555012906	/nfs/dbraw/zinc/01/29/06/555012906.db2.gz	NYPCHYYKOQRSJG-WGGXKBPPSA-N	0	1	526.677	5.855	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102701780	555013068	/nfs/dbraw/zinc/01/30/68/555013068.db2.gz	GJIUGFBHMRLOCA-YDJIHCHBSA-N	0	1	525.449	6.309	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000102714187	555018070	/nfs/dbraw/zinc/01/80/70/555018070.db2.gz	DIFPUCVAUUVULO-MIOXIQPJSA-N	0	1	539.584	5.806	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(F)cc3)cc2)c1	ZINC000102716833	555018772	/nfs/dbraw/zinc/01/87/72/555018772.db2.gz	ZTGDUKRLTVXEGY-TXTDGAROSA-N	0	1	525.580	5.422	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000102723526	555020718	/nfs/dbraw/zinc/02/07/18/555020718.db2.gz	ZHTGBSWJMBNESI-MRJHHRETSA-N	0	1	504.589	5.333	50	30		KKEAMN
Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000102732841	555024438	/nfs/dbraw/zinc/02/44/38/555024438.db2.gz	SUSWHVQFGOLFJY-MIOXIQPJSA-N	0	1	521.617	5.591	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000102734295	555024648	/nfs/dbraw/zinc/02/46/48/555024648.db2.gz	WYAYWFLWUQXKEH-TXTDGAROSA-N	0	1	535.556	5.499	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000102735220	555025003	/nfs/dbraw/zinc/02/50/03/555025003.db2.gz	SMVONXWOVPVOLR-QZDFLZESSA-N	0	1	531.608	6.211	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000102735330	555025351	/nfs/dbraw/zinc/02/53/51/555025351.db2.gz	KJZXUQOPYIAIMO-RWMNMRIUSA-N	0	1	517.581	6.424	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102770797	555058101	/nfs/dbraw/zinc/05/81/01/555058101.db2.gz	POKKWNQXRAOCJH-WGQAXHKASA-N	0	1	551.451	6.861	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000102770804	555058246	/nfs/dbraw/zinc/05/82/46/555058246.db2.gz	MYNPSRVRPGBLNR-NSUOQXISSA-N	0	1	555.414	6.692	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1	ZINC000102771056	555059483	/nfs/dbraw/zinc/05/94/83/555059483.db2.gz	KMCXZOAGTOMQQS-KYWXLPDZSA-N	0	1	537.424	6.553	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102771316	555060042	/nfs/dbraw/zinc/06/00/42/555060042.db2.gz	SIHLOBQMBVIWPL-SOIUSXPSSA-N	0	1	576.099	6.434	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)s2)cc1	ZINC000102771298	555060049	/nfs/dbraw/zinc/06/00/49/555060049.db2.gz	BQXRHKGOCCDQNE-OTQMSCLFSA-N	0	1	590.126	6.742	50	30		KKEAMN
Cc1ccc(CN(CN2c3ccccc3/C(=N\NC(=S)Nc3ccc(C)cc3C)C2=O)C2CCCCC2)cc1	ZINC000102784351	555067218	/nfs/dbraw/zinc/06/72/18/555067218.db2.gz	IPVJJZIMEDNFOL-VBMGMRCRSA-N	0	1	539.749	6.442	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000102857564	555088831	/nfs/dbraw/zinc/08/88/31/555088831.db2.gz	XTIMGDZFAIIJQR-IUKMQXEJSA-N	0	1	501.539	5.099	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000102858959	555089420	/nfs/dbraw/zinc/08/94/20/555089420.db2.gz	WHGPOGYOGHLULS-UUALVTFQSA-N	0	1	516.594	5.151	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000102859115	555089802	/nfs/dbraw/zinc/08/98/02/555089802.db2.gz	OUCYFDNNKRJVFA-YFVVEFNMSA-N	0	1	512.606	5.596	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1	ZINC000102859638	555090085	/nfs/dbraw/zinc/09/00/85/555090085.db2.gz	VIVBKUWHYJSYJJ-AYWGPLOBSA-N	0	1	551.020	5.992	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102860789	555091285	/nfs/dbraw/zinc/09/12/85/555091285.db2.gz	UHPSVPVHAUESMW-ZHHPLPSFSA-N	0	1	531.546	5.238	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(Cl)cc2Cl)no1	ZINC000102861515	555091512	/nfs/dbraw/zinc/09/15/12/555091512.db2.gz	DMPZVAKZBXTWEW-YDJIHCHBSA-N	0	1	550.236	6.668	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(Cl)cc2Cl)no1	ZINC000102861517	555091535	/nfs/dbraw/zinc/09/15/35/555091535.db2.gz	DMPZVAKZBXTWEW-NHFXJNLRSA-N	0	1	550.236	6.668	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC	ZINC000102861633	555092013	/nfs/dbraw/zinc/09/20/13/555092013.db2.gz	BTVYLFUJDZSTIY-ONQGDUAMSA-N	0	1	546.620	5.073	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000102862480	555092530	/nfs/dbraw/zinc/09/25/30/555092530.db2.gz	VTZGAQBTJGENKO-GYBOJBDRSA-N	0	1	555.671	6.108	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102862761	555092588	/nfs/dbraw/zinc/09/25/88/555092588.db2.gz	DOYAWPOMTUOPHU-WENCHWOGSA-N	0	1	541.644	6.210	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000102862487	555092592	/nfs/dbraw/zinc/09/25/92/555092592.db2.gz	VTZGAQBTJGENKO-VDBNUPDGSA-N	0	1	555.671	6.108	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000102864379	555093960	/nfs/dbraw/zinc/09/39/60/555093960.db2.gz	HRTORXYUFLOANO-MOBKVPTQSA-N	0	1	551.418	5.702	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(OC)c2OC)cc1Cl	ZINC000102866174	555095457	/nfs/dbraw/zinc/09/54/57/555095457.db2.gz	DHUNMJDUVGDAGT-NHFXJNLRSA-N	0	1	514.987	5.065	50	30		KKEAMN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102866301	555095484	/nfs/dbraw/zinc/09/54/84/555095484.db2.gz	RWDZVRALBYPOQJ-HOGKFDNTSA-N	0	1	506.898	5.051	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000102866322	555095501	/nfs/dbraw/zinc/09/55/01/555095501.db2.gz	VJBHRFFRUDFFDB-GROYHEBESA-N	0	1	503.363	5.171	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)cc1C	ZINC000102866297	555095568	/nfs/dbraw/zinc/09/55/68/555095568.db2.gz	VCBSJWBDZVGMJI-HOGKFDNTSA-N	0	1	538.597	5.491	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000102867818	555097380	/nfs/dbraw/zinc/09/73/80/555097380.db2.gz	CTGVJCDZRFLDMC-TXTDGAROSA-N	0	1	529.589	5.267	50	30		KKEAMN
CCCCCCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1	ZINC000102868554	555097921	/nfs/dbraw/zinc/09/79/21/555097921.db2.gz	JKDKXOHPUDDMIF-NHKHRBQYSA-N	0	1	567.513	7.784	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102869514	555098782	/nfs/dbraw/zinc/09/87/82/555098782.db2.gz	VJHROUKXINXEAE-LODGOHBISA-N	0	1	613.761	6.959	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000102872741	555103208	/nfs/dbraw/zinc/10/32/08/555103208.db2.gz	CGKLBWYMUDFPHU-SELCWUDQSA-N	0	1	500.935	5.047	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102872974	555103446	/nfs/dbraw/zinc/10/34/46/555103446.db2.gz	LHAHKLURDVJANK-JBCNATCCSA-N	0	1	521.392	5.694	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000102872811	555103483	/nfs/dbraw/zinc/10/34/83/555103483.db2.gz	DGFNFDNWWLJHGS-PLQDCEFPSA-N	0	1	569.698	6.498	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000102879536	555108678	/nfs/dbraw/zinc/10/86/78/555108678.db2.gz	XDJMBOGDZDFYSN-LFVOPCPISA-N	0	1	547.416	5.488	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Br)cc1	ZINC000102882845	555111090	/nfs/dbraw/zinc/11/10/90/555111090.db2.gz	LBULNIIRFPJULS-VEZPTTSMSA-N	0	1	627.620	9.260	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000102883576	555112028	/nfs/dbraw/zinc/11/20/28/555112028.db2.gz	BVUNJQPBQMAWIU-MIOXIQPJSA-N	0	1	558.631	5.442	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1	ZINC000102884073	555112928	/nfs/dbraw/zinc/11/29/28/555112928.db2.gz	YKXGSYVEAFJMHI-ZORLYMSLSA-N	0	1	578.621	5.452	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000102884369	555113200	/nfs/dbraw/zinc/11/32/00/555113200.db2.gz	DZOLFQSCZGSZRU-ZHHPLPSFSA-N	0	1	534.977	5.356	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCCC)c2)nc1C	ZINC000102884513	555113537	/nfs/dbraw/zinc/11/35/37/555113537.db2.gz	PTNPNBJDGREFGC-IUKMQXEJSA-N	0	1	590.654	5.371	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1	ZINC000102884586	555113887	/nfs/dbraw/zinc/11/38/87/555113887.db2.gz	OTYQBVWJKGCCTI-HAQIDCBSSA-N	0	1	530.577	5.784	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000102885042	555115179	/nfs/dbraw/zinc/11/51/79/555115179.db2.gz	GTBDSYMWLLANMR-CJJGVWJISA-N	0	1	577.058	6.526	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102885278	555115496	/nfs/dbraw/zinc/11/54/96/555115496.db2.gz	FIVLAIXJIVHWCR-SBXHHDGASA-N	0	1	549.004	5.746	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000102886333	555116698	/nfs/dbraw/zinc/11/66/98/555116698.db2.gz	SNPXSSCYTVELPD-ONQGDUAMSA-N	0	1	591.085	6.916	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1	ZINC000102886833	555117489	/nfs/dbraw/zinc/11/74/89/555117489.db2.gz	RIECCSSGYSHMBL-MIOXIQPJSA-N	0	1	616.692	6.136	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000102887141	555118201	/nfs/dbraw/zinc/11/82/01/555118201.db2.gz	NYLLOEADLPERFC-TVXPFAQOSA-N	0	1	603.697	6.318	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccs3)sc2c1	ZINC000102887279	555118503	/nfs/dbraw/zinc/11/85/03/555118503.db2.gz	YHCSAOMNLDRWJU-MOBKVPTQSA-N	0	1	520.588	5.154	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000102887453	555119202	/nfs/dbraw/zinc/11/92/02/555119202.db2.gz	ZMONTDBKYYBJCT-TXTDGAROSA-N	0	1	547.604	5.640	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C	ZINC000102888148	555120859	/nfs/dbraw/zinc/12/08/59/555120859.db2.gz	OWWCEHCYCLULOR-CZNAVJSXSA-N	0	1	598.633	5.215	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC	ZINC000102889125	555123104	/nfs/dbraw/zinc/12/31/04/555123104.db2.gz	IOBWTTIGQZPOIW-NPJIAGGLSA-N	0	1	608.669	5.213	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C	ZINC000102889565	555123767	/nfs/dbraw/zinc/12/37/67/555123767.db2.gz	MOEWHYVMYSZBCK-QNIVJUIWSA-N	0	1	592.670	5.375	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1	ZINC000102890898	555126490	/nfs/dbraw/zinc/12/64/90/555126490.db2.gz	XXAALVHKIUZJNO-SBXHHDGASA-N	0	1	578.643	5.205	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000102891992	555128198	/nfs/dbraw/zinc/12/81/98/555128198.db2.gz	IVCUMHFCTVAFEW-FSISNWKMSA-N	0	1	533.005	5.908	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC	ZINC000102892279	555128468	/nfs/dbraw/zinc/12/84/68/555128468.db2.gz	VJEJGLSBEGLNGA-JBODOUGHSA-N	0	1	593.057	5.925	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102892719	555129007	/nfs/dbraw/zinc/12/90/07/555129007.db2.gz	YXHABXSFOQDFLG-KNZGKXHUSA-N	0	1	544.560	5.172	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000102893351	555130775	/nfs/dbraw/zinc/13/07/75/555130775.db2.gz	KDZFHYFJGVVDAV-VXJPNWOUSA-N	0	1	542.632	5.605	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1	ZINC000102893521	555131076	/nfs/dbraw/zinc/13/10/76/555131076.db2.gz	XKISSRLHRYJTHY-KBNMONRCSA-N	0	1	576.649	6.005	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000102893494	555131106	/nfs/dbraw/zinc/13/11/06/555131106.db2.gz	XRBQOEPPYRKIIV-YELMDPSYSA-N	0	1	573.690	5.686	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102893778	555131576	/nfs/dbraw/zinc/13/15/76/555131576.db2.gz	HCYKITXKKVQGDS-ZCCBWQDPSA-N	0	1	569.698	6.642	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(N(C)C)cc3)cc2)c1	ZINC000102895075	555133440	/nfs/dbraw/zinc/13/34/40/555133440.db2.gz	NZYDLQKSNSPOQO-QMMFTLRZSA-N	0	1	550.659	5.349	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccnc2)nc1C	ZINC000102895447	555134326	/nfs/dbraw/zinc/13/43/26/555134326.db2.gz	JDLZKCFRKQXHFM-NPJIAGGLSA-N	0	1	539.613	5.563	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000102895486	555134706	/nfs/dbraw/zinc/13/47/06/555134706.db2.gz	PEHVTWJHWLCKCV-MIOXIQPJSA-N	0	1	543.616	5.513	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)sc2c1	ZINC000102896178	555136002	/nfs/dbraw/zinc/13/60/02/555136002.db2.gz	UEQOURXJOIBYMO-SBXHHDGASA-N	0	1	532.549	5.232	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000102896345	555136261	/nfs/dbraw/zinc/13/62/61/555136261.db2.gz	KWZMVWQQDQPJFF-QMMFTLRZSA-N	0	1	550.611	5.608	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000102896347	555136267	/nfs/dbraw/zinc/13/62/67/555136267.db2.gz	KWZMVWQQDQPJFF-VEZPTTSMSA-N	0	1	550.611	5.608	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102898251	555138474	/nfs/dbraw/zinc/13/84/74/555138474.db2.gz	HWYPPSNSBGXLNK-FSISNWKMSA-N	0	1	533.005	5.908	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000102899467	555139324	/nfs/dbraw/zinc/13/93/24/555139324.db2.gz	SAEVUAAUPQMQLK-YREDKMEYSA-N	0	1	613.761	6.877	50	30		KKEAMN
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c1	ZINC000102923457	555148093	/nfs/dbraw/zinc/14/80/93/555148093.db2.gz	XIJCOHNXXVXJIU-UHFFFAOYSA-N	0	1	556.688	5.306	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCOC)cc1OCC	ZINC000102926579	555151152	/nfs/dbraw/zinc/15/11/52/555151152.db2.gz	SWLUDBSUGORAAX-ZLYDLHQSSA-N	0	1	523.626	5.046	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000102926805	555151478	/nfs/dbraw/zinc/15/14/78/555151478.db2.gz	LRTWRWXHGWMXLX-VXJPNWOUSA-N	0	1	527.617	5.819	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc(Br)c1O	ZINC000102929281	555154957	/nfs/dbraw/zinc/15/49/57/555154957.db2.gz	FRPLFMHWVWRSEH-QNIVJUIWSA-N	0	1	564.432	5.151	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000102929805	555155832	/nfs/dbraw/zinc/15/58/32/555155832.db2.gz	PRRDEDAHGJPFTO-UUALVTFQSA-N	0	1	516.594	5.208	50	30		KKEAMN
N#CC(c1nc2ccccc2nc1N1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1)S(=O)(=O)c1ccccc1	ZINC000102931169	555158682	/nfs/dbraw/zinc/15/86/82/555158682.db2.gz	MTAVSQLFPMDXBX-SDZHOWIXSA-N	0	1	579.726	5.291	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102931330	555158729	/nfs/dbraw/zinc/15/87/29/555158729.db2.gz	QXSKHKRNEYATMD-HOGKFDNTSA-N	0	1	535.965	5.883	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1	ZINC000102934901	555162042	/nfs/dbraw/zinc/16/20/42/555162042.db2.gz	FAGMWUHKXRGLDI-KBNMONRCSA-N	0	1	576.649	6.005	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(Br)c2)nc1C	ZINC000102934995	555162296	/nfs/dbraw/zinc/16/22/96/555162296.db2.gz	UCJDOAPWAOPEQM-NHFXJNLRSA-N	0	1	571.449	5.334	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(Cl)cc2)no1	ZINC000102935203	555162385	/nfs/dbraw/zinc/16/23/85/555162385.db2.gz	UHKBEPRQMGRAAM-YDJIHCHBSA-N	0	1	515.791	6.014	50	30		KKEAMN
CCCCCCCCC(=O)N(CCC)Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1	ZINC000103193537	555334345	/nfs/dbraw/zinc/33/43/45/555334345.db2.gz	WGJMKRFXOBCUFM-UHFFFAOYSA-N	0	1	527.773	6.593	50	30		KKEAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)cc2)n1	ZINC000150354179	571462984	/nfs/dbraw/zinc/46/29/84/571462984.db2.gz	MWLFYAXBWFBOHA-UHFFFAOYSA-N	0	1	617.466	5.757	50	30		KKEAMN
Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2s1	ZINC000150355578	571463086	/nfs/dbraw/zinc/46/30/86/571463086.db2.gz	LHAOSQMTESAKAI-YPXUMCKCSA-N	0	1	625.795	7.970	50	30		KKEAMN
O=C(CSc1nc2ccc(/N=C/c3cc(I)cc(I)c3O)cc2s1)Nc1ccccc1C(F)(F)F	ZINC000150366906	571464861	/nfs/dbraw/zinc/46/48/61/571464861.db2.gz	OGSMOVUWFAMGRH-VYVUJPJFSA-N	0	1	739.320	7.711	50	30		KKEAMN
N#Cc1ccccc1S(=O)(=O)Nc1cccc(SC2=C(Nc3ccc(F)cc3)C(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)c1	ZINC000150403153	571478684	/nfs/dbraw/zinc/47/86/84/571478684.db2.gz	UJFPCUUZXKLVKE-UHFFFAOYSA-N	0	1	638.624	6.506	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150417243	571486217	/nfs/dbraw/zinc/48/62/17/571486217.db2.gz	HCAHEUHRPNCUGH-DNNDWWBDSA-N	0	1	643.787	6.886	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150418399	571486532	/nfs/dbraw/zinc/48/65/32/571486532.db2.gz	JCTKKPYJMAPTQD-FPRSLYQBSA-N	0	1	647.750	6.717	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C	ZINC000150422320	571488280	/nfs/dbraw/zinc/48/82/80/571488280.db2.gz	ZCNQECCZCOAFAV-VEZPTTSMSA-N	0	1	691.803	7.191	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000150422216	571488312	/nfs/dbraw/zinc/48/83/12/571488312.db2.gz	VYDIZMCIRGAMGG-VEZPTTSMSA-N	0	1	667.740	6.946	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCCCC)c(OC)c2)nc1C	ZINC000150432175	571493796	/nfs/dbraw/zinc/49/37/96/571493796.db2.gz	GSRAPVXZKJQMRM-GDLZYMKVSA-N	0	1	648.778	7.334	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccc(F)cc4)cc3)C(=O)C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1	ZINC000150432730	571494242	/nfs/dbraw/zinc/49/42/42/571494242.db2.gz	OVVLNFBVTQBUGM-PSXMRANNSA-N	0	1	666.746	6.293	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000150432757	571494385	/nfs/dbraw/zinc/49/43/85/571494385.db2.gz	WHMAPQRSNPEHTO-SANMLTNESA-N	0	1	638.739	6.252	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000150435042	571495111	/nfs/dbraw/zinc/49/51/11/571495111.db2.gz	PIJNDXLDPVPQAH-VEZPTTSMSA-N	0	1	667.740	6.946	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1	ZINC000150435804	571495722	/nfs/dbraw/zinc/49/57/22/571495722.db2.gz	CZRCHTXRGJGTMN-DFXXOVSGSA-N	0	1	642.686	5.613	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1	ZINC000150439746	571497512	/nfs/dbraw/zinc/49/75/12/571497512.db2.gz	OGQOSLZHSITRKY-SZYGQJGOSA-N	0	1	693.803	7.206	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150445783	571500664	/nfs/dbraw/zinc/50/06/64/571500664.db2.gz	JETAQCNSEVDWLS-DNNDWWBDSA-N	0	1	662.233	7.858	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000150445718	571500768	/nfs/dbraw/zinc/50/07/68/571500768.db2.gz	QXFMDUZJAZNDKG-WYNCGZBVSA-N	0	1	631.751	7.098	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150445866	571500928	/nfs/dbraw/zinc/50/09/28/571500928.db2.gz	OFGLHEMHLKWAMY-JVJOXMINSA-N	0	1	632.163	6.998	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150457677	571504923	/nfs/dbraw/zinc/50/49/23/571504923.db2.gz	HIBLOLNHIVPKHV-XTUFCYCQSA-N	0	1	682.651	8.266	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC	ZINC000150457793	571505026	/nfs/dbraw/zinc/50/50/26/571505026.db2.gz	BQOSLCLEHXRQHI-WGGXKBPPSA-N	0	1	635.138	7.315	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150457828	571505227	/nfs/dbraw/zinc/50/52/27/571505227.db2.gz	NGDBHKLVKGCDLV-HWTUVFLMSA-N	0	1	678.232	7.621	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150457973	571505350	/nfs/dbraw/zinc/50/53/50/571505350.db2.gz	LCLFXFGTOJEZFG-VXJPNWOUSA-N	0	1	643.787	6.968	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150459191	571505693	/nfs/dbraw/zinc/50/56/93/571505693.db2.gz	DKYTYDLUXGBXFD-NBXYUPGTSA-N	0	1	665.768	7.498	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150461172	571506371	/nfs/dbraw/zinc/50/63/71/571506371.db2.gz	MCJRIDKPEDKFFD-LHKMDIPOSA-N	0	1	696.678	8.656	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150463167	571507074	/nfs/dbraw/zinc/50/70/74/571507074.db2.gz	IDKBOMZMDYJKGY-QJGFIUGVSA-N	0	1	662.233	7.858	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150463440	571507180	/nfs/dbraw/zinc/50/71/80/571507180.db2.gz	GWEAJFAZYLBVED-RVKWYQKSSA-N	0	1	663.821	8.112	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000150463521	571507233	/nfs/dbraw/zinc/50/72/33/571507233.db2.gz	KLHFHAIGLXADFB-VXJPNWOUSA-N	0	1	645.778	7.344	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150463442	571507254	/nfs/dbraw/zinc/50/72/54/571507254.db2.gz	GWEAJFAZYLBVED-RDGASKBCSA-N	0	1	663.821	8.112	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150463403	571507308	/nfs/dbraw/zinc/50/73/08/571507308.db2.gz	NAZIKHTWASDAMV-ZCCBWQDPSA-N	0	1	685.868	8.056	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000150464011	571507684	/nfs/dbraw/zinc/50/76/84/571507684.db2.gz	DXVHJJDRGKOWGR-MEDZALOKSA-N	0	1	623.481	5.731	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000150471591	571509626	/nfs/dbraw/zinc/50/96/26/571509626.db2.gz	NKLITVLXWCXDHB-HWTUVFLMSA-N	0	1	678.232	7.621	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000150471589	571509740	/nfs/dbraw/zinc/50/97/40/571509740.db2.gz	NKLITVLXWCXDHB-QMDVFYPZSA-N	0	1	678.232	7.621	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150484758	571515325	/nfs/dbraw/zinc/51/53/25/571515325.db2.gz	PDEIGHZULVIIMG-MIOXIQPJSA-N	0	1	659.786	6.724	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000150486369	571516430	/nfs/dbraw/zinc/51/64/30/571516430.db2.gz	WGGTVAGDGFMINY-VDGASQMCSA-N	0	1	726.704	8.665	50	30		KKEAMN
CCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@@H]1C	ZINC000169677997	571555614	/nfs/dbraw/zinc/55/56/14/571555614.db2.gz	SLNVVGBUZQPBNY-YUDQIZAISA-N	0	1	527.750	6.035	50	30		KKEAMN
Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CN2CCCC[C@H]2c2cccnc2)cc1	ZINC000252430680	572260671	/nfs/dbraw/zinc/26/06/71/572260671.db2.gz	DFVFJGJCWKJBRM-QPQHGXMVSA-N	0	1	534.704	6.760	50	30		KKEAMN
Cc1ccc2nc(-c3cc(N=Cc4ccc(C(=O)Oc5cc(Cl)ccc5Cl)cc4)ccc3O)oc2c1	ZINC000252590706	572266675	/nfs/dbraw/zinc/26/66/75/572266675.db2.gz	AVDFKEYQJJDJHG-UHFFFAOYSA-N	0	1	517.368	7.785	50	30		KKEAMN
Cc1cccc(C)c1N=C1S/C(=C/c2cc(Cl)cc(Br)c2O)C(=O)N1c1c(C)cccc1C	ZINC000252597002	572266984	/nfs/dbraw/zinc/26/69/84/572266984.db2.gz	CNKQRYJQNOUDLX-ZJCLCAEHSA-N	0	1	541.898	7.850	50	30		KKEAMN
O=[N+]([O-])c1ccc(C=Nc2ccc(-c3nc4ccc(-c5nc6cc(N=Cc7ccc([N+](=O)[O-])cc7)ccc6[nH]5)cc4[nH]3)cc2)cc1	ZINC000252621000	572269464	/nfs/dbraw/zinc/26/94/64/572269464.db2.gz	MQNLNDBKINXTDB-UHFFFAOYSA-N	0	1	606.602	8.091	50	30		KKEAMN
CCc1ccc2oc(-c3cc(N=Cc4c(O)c(OC)cc(Br)c4Br)ccc3O)nc2c1	ZINC000252623458	572270034	/nfs/dbraw/zinc/27/00/34/572270034.db2.gz	ORYXRYJLWMUVRW-UHFFFAOYSA-N	0	1	546.215	6.753	50	30		KKEAMN
Clc1ccccc1COc1cccc([N-][NH+]=Cc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1	ZINC000252632002	572271393	/nfs/dbraw/zinc/27/13/93/572271393.db2.gz	VNXDVASDZZUAFV-UHFFFAOYSA-N	0	1	522.012	7.037	50	30		KKEAMN
CCCCC1SC(=NN=Cc2cc(C)ccc2OS(=O)(=O)c2cc(Br)ccc2Br)NC1=O	ZINC000252637802	572272080	/nfs/dbraw/zinc/27/20/80/572272080.db2.gz	XWJCFEYDAIPLBZ-SFHVURJKSA-N	0	1	603.358	5.399	50	30		KKEAMN
CCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@H]1C	ZINC000253388997	572283097	/nfs/dbraw/zinc/28/30/97/572283097.db2.gz	SLNVVGBUZQPBNY-WVXBCFDCSA-N	0	1	527.750	6.035	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC[C@@H](c3c[nH]c4ccccc43)c3ccccc3)C1=O)O2	ZINC000253404990	572286109	/nfs/dbraw/zinc/28/61/09/572286109.db2.gz	IBBWXKCKNQRBHV-REPDSUPQSA-N	0	1	562.622	5.472	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC[C@H](c3c(C)[nH]c4ccccc43)c3ccccc3)C1=O)O2	ZINC000253415048	572289217	/nfs/dbraw/zinc/28/92/17/572289217.db2.gz	ZLDDHSFVIDXEAG-QVYSEMLRSA-N	0	1	576.649	5.780	50	30		KKEAMN
C[C@]12CC[C@@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@]2(O)C/N=C/c1cc(Cl)cc(Cl)c1O	ZINC000253501578	572294782	/nfs/dbraw/zinc/29/47/82/572294782.db2.gz	IMNYBTVHQUPUHM-OIYJZZISSA-N	0	1	534.524	6.555	50	30		KKEAMN
CCCCCCCC1S/C(=N/N=Cc2ccc(OS(=O)(=O)c3ccc(I)cc3)cc2)NC1=O	ZINC000252487116	1072834589	/nfs/dbraw/zinc/83/45/89/1072834589.db2.gz	ROWDXNDUOUVRSZ-OAQYLSRUSA-N	0	1	599.516	5.341	50	30		KKEAMN
CCCCCCCC1S/C(=N/N=Cc2ccc(OS(=O)(=O)c3ccc(C(C)(C)C)cc3)c(OC)c2)NC1=O	ZINC000252487538	1072835132	/nfs/dbraw/zinc/83/51/32/1072835132.db2.gz	YVGWJOFYABFFGC-VWLOTQADSA-N	0	1	559.754	6.042	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000097999822	1072842158	/nfs/dbraw/zinc/84/21/58/1072842158.db2.gz	IPKYEGBPJCQQCX-BWXVZPLGSA-N	0	1	610.795	8.491	50	30		KKEAMN
COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2c(-c3ccccc3)nc3sccn23)cc1	ZINC000254382424	1072850374	/nfs/dbraw/zinc/85/03/74/1072850374.db2.gz	VXSVPBOEAKNILB-UHFFFAOYSA-N	0	1	548.606	5.226	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000000631140	551505034	/nfs/dbraw/zinc/50/50/34/551505034.db2.gz	BAJJUBNZLDBFLH-IBGZPJMESA-N	0	1	512.971	5.073	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(Br)c2)nc1C	ZINC000000631202	551505100	/nfs/dbraw/zinc/50/51/00/551505100.db2.gz	OZHSRUUCOUHZSO-LJQANCHMSA-N	0	1	541.423	5.482	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3cccc([N+](=O)[O-])c3)C2)cc1OC	ZINC000000674205	551520948	/nfs/dbraw/zinc/52/09/48/551520948.db2.gz	FJUMWPFHGOCJKP-OLILMLBXSA-N	0	1	513.550	5.533	50	30		KKEAMN
CCN(CC)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccco3)C2)cc1	ZINC000000681770	551524764	/nfs/dbraw/zinc/52/47/64/551524764.db2.gz	XBERHAOLEBHNRL-UZTOHYMASA-N	0	1	523.555	6.589	50	30		KKEAMN
Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(C)c1C=C(O)c1ccc(Br)cc1	ZINC000000691381	551527253	/nfs/dbraw/zinc/52/72/53/551527253.db2.gz	JMAFOPUOSLOMFZ-UHFFFAOYSA-N	0	1	512.404	5.628	50	30	aggregator	KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000000702745	551529824	/nfs/dbraw/zinc/52/98/24/551529824.db2.gz	CPVIOIUNVGCLJS-IAPPQJPRSA-N	0	1	513.590	5.422	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000000702933	551529881	/nfs/dbraw/zinc/52/98/81/551529881.db2.gz	VXLQDMURVMMGME-FQEVSTJZSA-N	0	1	537.391	5.946	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000000702746	551529896	/nfs/dbraw/zinc/52/98/96/551529896.db2.gz	CPVIOIUNVGCLJS-IXCJQBJRSA-N	0	1	513.590	5.422	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000000702688	551529915	/nfs/dbraw/zinc/52/99/15/551529915.db2.gz	KPKBKBOHRZFBOQ-WNCULLNHSA-N	0	1	523.626	5.276	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000000703094	551530809	/nfs/dbraw/zinc/53/08/09/551530809.db2.gz	BZDYDESTEZRCRT-GDLZYMKVSA-N	0	1	553.567	5.417	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]3c2cccnc2)cc1	ZINC000000718156	551535205	/nfs/dbraw/zinc/53/52/05/551535205.db2.gz	MGPZATPNNPHAPT-WYOOIXGGSA-N	0	1	591.664	6.330	50	30		KKEAMN
CC(=O)N1c2ccc(C(=O)c3ccccc3)cc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000000864958	551552369	/nfs/dbraw/zinc/55/23/69/551552369.db2.gz	CBOCRASEOKOXNZ-NDEPHWFRSA-N	0	1	509.562	5.989	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1OC	ZINC000000867319	551553390	/nfs/dbraw/zinc/55/33/90/551553390.db2.gz	AKWOXFZBZVQYNZ-IVCQMTBJSA-N	0	1	512.484	5.760	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CC(C)C)[C@H]3c3ccccc3Cl)C2)cc1	ZINC000000970050	551590724	/nfs/dbraw/zinc/59/07/24/551590724.db2.gz	VQMQBZHHGLPEHF-BGOLNKOXSA-N	0	1	515.053	7.295	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cccnc2)cc1	ZINC000000986542	551592757	/nfs/dbraw/zinc/59/27/57/551592757.db2.gz	DYGSCRGUUAAMON-QXNWPYRLSA-N	0	1	501.586	6.305	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)[C@@H]1c1cccc(F)c1	ZINC000000985928	551592769	/nfs/dbraw/zinc/59/27/69/551592769.db2.gz	JRGWDTTXIFPOFJ-ADSBAMQRSA-N	0	1	530.596	6.162	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cc(OC)c(OC)c(OC)c3)C2)[C@@H]1c1cccc(F)c1	ZINC000000985930	551592793	/nfs/dbraw/zinc/59/27/93/551592793.db2.gz	JRGWDTTXIFPOFJ-QTEAWJPNSA-N	0	1	530.596	6.162	50	30		KKEAMN
CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OCC)c(O)c([N+](=O)[O-])c2)cc1OC	ZINC000001077440	551604886	/nfs/dbraw/zinc/60/48/86/551604886.db2.gz	GLNIPDWENLHMFW-LBEKAKSKSA-N	0	1	545.592	6.086	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000001261524	551633691	/nfs/dbraw/zinc/63/36/91/551633691.db2.gz	JKUBBKLSTHOFOP-WVXBCFDCSA-N	0	1	534.637	6.749	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1	ZINC000001293532	551637364	/nfs/dbraw/zinc/63/73/64/551637364.db2.gz	BVTQPPNNKUMGBJ-QNLPTKCRSA-N	0	1	538.644	6.429	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000001411029	551664489	/nfs/dbraw/zinc/66/44/89/551664489.db2.gz	JMAJBTWTNUQUON-SANMLTNESA-N	0	1	500.982	6.041	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(OC)cc2OC)cc1	ZINC000001411046	551664677	/nfs/dbraw/zinc/66/46/77/551664677.db2.gz	ANTOFYBIYKXPDY-MUUNZHRXSA-N	0	1	526.589	5.405	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)C(F)(F)F)[C@@H]3c2cccs2)cc1	ZINC000001413000	551665167	/nfs/dbraw/zinc/66/51/67/551665167.db2.gz	PURXEQFBZQESMW-CRICUBBOSA-N	0	1	512.553	6.528	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1OC	ZINC000001413424	551665501	/nfs/dbraw/zinc/66/55/01/551665501.db2.gz	MFCQDXZQTLUNGN-SANMLTNESA-N	0	1	561.432	5.769	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(O)cc1)c1ccc(Br)cc1	ZINC000001413442	551665718	/nfs/dbraw/zinc/66/57/18/551665718.db2.gz	WIWPKEPHHNDTSG-DEOSSOPVSA-N	0	1	517.379	5.457	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1OC	ZINC000001413474	551665757	/nfs/dbraw/zinc/66/57/57/551665757.db2.gz	WDTHGDMPQDLKRI-SANMLTNESA-N	0	1	516.981	5.660	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(Br)cc1)c1ccc(F)cc1	ZINC000001413450	551665883	/nfs/dbraw/zinc/66/58/83/551665883.db2.gz	HPKZYPKLYZRKMQ-DEOSSOPVSA-N	0	1	519.370	5.891	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O	ZINC000001414778	551666536	/nfs/dbraw/zinc/66/65/36/551666536.db2.gz	YXMZIVCFAQWSPQ-RUZDIDTESA-N	0	1	502.954	5.357	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O	ZINC000001414753	551666604	/nfs/dbraw/zinc/66/66/04/551666604.db2.gz	PWYKMCJOMPTJQJ-SANMLTNESA-N	0	1	500.526	5.232	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000001450604	551675617	/nfs/dbraw/zinc/67/56/17/551675617.db2.gz	PYIIPDYLNWEYOD-FQEVSTJZSA-N	0	1	509.381	5.997	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000001480166	551681447	/nfs/dbraw/zinc/68/14/47/551681447.db2.gz	ZHJBYYWQNTUAPA-IBGZPJMESA-N	0	1	527.421	5.912	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000001480815	551681839	/nfs/dbraw/zinc/68/18/39/551681839.db2.gz	XXEQBXABASDEGK-HSZRJFAPSA-N	0	1	550.564	5.253	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(Br)cc2)no1	ZINC000001752997	551693605	/nfs/dbraw/zinc/69/36/05/551693605.db2.gz	WUUYWHBJBCXJEU-FQEVSTJZSA-N	0	1	560.242	6.280	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000001858401	551716684	/nfs/dbraw/zinc/71/66/84/551716684.db2.gz	NPCUNQIFFLPHCZ-WKRVVKTRSA-N	0	1	531.608	6.368	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1	ZINC000001922742	551734500	/nfs/dbraw/zinc/73/45/00/551734500.db2.gz	CRMRUXIHKMGKGR-YSURURNPSA-N	0	1	506.581	7.129	50	30		KKEAMN
O=C(Nc1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1)c1ccccc1Cl	ZINC000001955299	551735768	/nfs/dbraw/zinc/73/57/68/551735768.db2.gz	RBMOGSVZIBYGDR-BHGWPJFGSA-N	0	1	508.597	6.574	50	30		KKEAMN
Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3cc(I)ccc3Cl)nc2c1	ZINC000002071558	551747402	/nfs/dbraw/zinc/74/74/02/551747402.db2.gz	LGPIUNARGVFYDA-YCPBAFNGSA-N	0	1	543.575	7.516	50	30		KKEAMN
CCOC(=O)CCc1cc(/N=C/c2ccc(Cl)c(Cl)c2)c(O)c(/N=C/c2ccc(Cl)c(Cl)c2)c1	ZINC000002160724	551780582	/nfs/dbraw/zinc/78/05/82/551780582.db2.gz	USUVHZNXWHEFLR-HNZHSOEWSA-N	0	1	538.258	8.003	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl	ZINC000002347583	552099153	/nfs/dbraw/zinc/09/91/53/552099153.db2.gz	NLUPWCBZHLVZQB-CGOBSMCZSA-N	0	1	523.037	5.653	50	30		KKEAMN
O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccc(-c4nc5ccccc5s4)c(O)c3)cc2)c([N+](=O)[O-])c1	ZINC000003084920	552286042	/nfs/dbraw/zinc/28/60/42/552286042.db2.gz	XPLVBYYJTIFBNY-JFLMPSFJSA-N	0	1	512.503	7.028	50	30		KKEAMN
CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4cc(Cl)cc(I)c4O)cc3o2)cc1	ZINC000003102924	552288219	/nfs/dbraw/zinc/28/82/19/552288219.db2.gz	NMCVLVYJRJDZJU-UVHMKAGCSA-N	0	1	530.793	7.507	50	30		KKEAMN
Cc1c(Cl)c(C)c(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c(O)c1Br	ZINC000003114168	552290105	/nfs/dbraw/zinc/29/01/05/552290105.db2.gz	OXTUHUBOYWJHIP-OXUBWTJQSA-N	0	1	508.174	7.776	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1	ZINC000003114050	552290153	/nfs/dbraw/zinc/29/01/53/552290153.db2.gz	QVBATKIBXARODI-YCPBAFNGSA-N	0	1	541.026	7.783	50	30		KKEAMN
Oc1c(I)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc4ccccc4c3)nc2c1	ZINC000003169712	552299044	/nfs/dbraw/zinc/29/90/44/552299044.db2.gz	RDKYWBNNWMAFON-UVHMKAGCSA-N	0	1	524.745	7.362	50	30		KKEAMN
CCOC(=O)c1c2c(sc1NC(=O)C(C#N)c1nc3ccccc3nc1Cl)C[C@H](c1ccccc1)CC2	ZINC000003259760	552325803	/nfs/dbraw/zinc/32/58/03/552325803.db2.gz	CGKADVNCVSBUIU-MJGOQNOKSA-N	0	1	531.037	6.040	50	30		KKEAMN
O=C(CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2s1)NCCOc1ccccc1	ZINC000003668525	552409983	/nfs/dbraw/zinc/40/99/83/552409983.db2.gz	SOWPAEQHOXLRDB-XODNFHPESA-N	0	1	532.474	6.347	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000003979823	552424476	/nfs/dbraw/zinc/42/44/76/552424476.db2.gz	WJPPKXJNCVILBN-GDLZYMKVSA-N	0	1	536.584	5.462	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(Br)cc1)c1ccc(Br)cc1	ZINC000004635166	552469502	/nfs/dbraw/zinc/46/95/02/552469502.db2.gz	NKFXRCAPQBJSLU-DEOSSOPVSA-N	0	1	580.276	6.514	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000004638897	552469973	/nfs/dbraw/zinc/46/99/73/552469973.db2.gz	XKTRGVOYIWZGJH-PMERELPUSA-N	0	1	539.628	6.831	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(C(C)C)cc3)cc2)c1	ZINC000004649993	552471235	/nfs/dbraw/zinc/47/12/35/552471235.db2.gz	UDDXZXAJNPDBES-HKBQPEDESA-N	0	1	549.671	6.563	50	30		KKEAMN
N#C[C@H](C(=O)c1nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3)cc2)nc(N)c1-c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000005345106	552497913	/nfs/dbraw/zinc/49/79/13/552497913.db2.gz	OASFEBMCGMZGPW-SANMLTNESA-N	0	1	716.632	6.450	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000005355214	552498522	/nfs/dbraw/zinc/49/85/22/552498522.db2.gz	HJEJVGHMGKXDLQ-XMMPIXPASA-N	0	1	562.644	5.683	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000005355640	552498893	/nfs/dbraw/zinc/49/88/93/552498893.db2.gz	VISQEGCSWZUJIJ-HSZRJFAPSA-N	0	1	550.633	5.599	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C	ZINC000005355513	552498919	/nfs/dbraw/zinc/49/89/19/552498919.db2.gz	YDFCSPCIQSDDRM-SFHVURJKSA-N	0	1	572.393	5.082	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2F)cc1C	ZINC000005355577	552499045	/nfs/dbraw/zinc/49/90/45/552499045.db2.gz	ZJMNTAIQMFXJSG-NRFANRHFSA-N	0	1	524.570	5.257	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC=C)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000005357290	552499679	/nfs/dbraw/zinc/49/96/79/552499679.db2.gz	RWJVTNXHKHVYCF-RUZDIDTESA-N	0	1	574.655	5.849	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(Cl)cc2)c(C)c1	ZINC000005357427	552499706	/nfs/dbraw/zinc/49/97/06/552499706.db2.gz	YATAZRHRDZEMHG-QFIPXVFZSA-N	0	1	553.036	5.938	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000005921188	552512723	/nfs/dbraw/zinc/51/27/23/552512723.db2.gz	CCXXDTMSJMDQPO-HHHXNRCGSA-N	0	1	519.594	5.890	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000005927679	552513081	/nfs/dbraw/zinc/51/30/81/552513081.db2.gz	WKLUHGOCNWUOCW-JOCHJYFZSA-N	0	1	553.036	5.938	50	30		KKEAMN
Cc1c(NC(=O)c2cccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)c2)c(=O)n(-c2ccccc2)n1C	ZINC000006146522	552548292	/nfs/dbraw/zinc/54/82/92/552548292.db2.gz	MZFRPVSKSAKCGA-UHFFFAOYSA-N	0	1	599.644	5.313	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000006150603	552551422	/nfs/dbraw/zinc/55/14/22/552551422.db2.gz	CMOHWWCDKQAUHM-XMMPIXPASA-N	0	1	575.624	5.284	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC	ZINC000006282456	552577718	/nfs/dbraw/zinc/57/77/18/552577718.db2.gz	QUTURZRMMJZCGE-QFIPXVFZSA-N	0	1	562.338	6.268	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc(OC)c1OC	ZINC000008383353	552986168	/nfs/dbraw/zinc/98/61/68/552986168.db2.gz	OOWXFXXAYYHXBR-VWLOTQADSA-N	0	1	633.679	6.524	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1O	ZINC000008384060	552988804	/nfs/dbraw/zinc/98/88/04/552988804.db2.gz	QWFKBEYTFLQWEP-XMMPIXPASA-N	0	1	606.081	6.727	50	30		KKEAMN
CCN(CC)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1	ZINC000008384795	552990109	/nfs/dbraw/zinc/99/01/09/552990109.db2.gz	JMJUELIXBYXLOR-YTTGMZPUSA-N	0	1	507.678	6.919	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@@H]2c2ccc(Br)cc2)C1	ZINC000008396846	552995899	/nfs/dbraw/zinc/99/58/99/552995899.db2.gz	SXAMVZCRYXBWLZ-AREMUKBSSA-N	0	1	532.507	7.463	50	30		KKEAMN
CCN(CC)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(F)cc2)cc1	ZINC000008430947	553022158	/nfs/dbraw/zinc/02/21/58/553022158.db2.gz	AXBFOEIDWXCFGK-SSEXGKCCSA-N	0	1	511.641	7.129	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)C1	ZINC000008431810	553024204	/nfs/dbraw/zinc/02/42/04/553024204.db2.gz	DIKSYMCLSKXBQY-MGBGTMOVSA-N	0	1	528.652	7.722	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000008433292	553028548	/nfs/dbraw/zinc/02/85/48/553028548.db2.gz	PICJHQSPVVXSLA-PMERELPUSA-N	0	1	556.659	5.487	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1	ZINC000008440848	553038672	/nfs/dbraw/zinc/03/86/72/553038672.db2.gz	GZTLKCPGQIJVJN-AHWVRZQESA-N	0	1	548.433	5.785	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)ccc1OCCC(C)C	ZINC000008440933	553038873	/nfs/dbraw/zinc/03/88/73/553038873.db2.gz	GNFCDUWNPKSYFP-MHZLTWQESA-N	0	1	557.087	5.074	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccc(OCc2ccccc2)cc1	ZINC000008441251	553040041	/nfs/dbraw/zinc/04/00/41/553040041.db2.gz	SEPHFPFVQVPFNV-PMERELPUSA-N	0	1	631.735	7.939	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(C[C@@H]4CCCO4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000008441480	553040983	/nfs/dbraw/zinc/04/09/83/553040983.db2.gz	NKVCWTQAJXLLBS-XRQHJSPUSA-N	0	1	525.601	5.346	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1cccs1	ZINC000008441776	553042240	/nfs/dbraw/zinc/04/22/40/553042240.db2.gz	CBQSKATXXRJBFR-VWLOTQADSA-N	0	1	581.700	7.574	50	30		KKEAMN
COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)cc1	ZINC000008443911	553048403	/nfs/dbraw/zinc/04/84/03/553048403.db2.gz	WWGKPILAYPDWOI-GDLZYMKVSA-N	0	1	501.026	6.734	50	30		KKEAMN
CCCC[C@@H](CC)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OCCC)c(OC)c1	ZINC000008443997	553048891	/nfs/dbraw/zinc/04/88/91/553048891.db2.gz	SRLSLNUPEKAHCA-JPZYQRIQSA-N	0	1	532.725	7.843	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1OCCC	ZINC000008444097	553049019	/nfs/dbraw/zinc/04/90/19/553049019.db2.gz	YRAMIVRCEXKZOZ-LHAPQZOASA-N	0	1	552.715	7.965	50	30		KKEAMN
COc1cccc([C@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)c1	ZINC000008444378	553050158	/nfs/dbraw/zinc/05/01/58/553050158.db2.gz	KUZAOGPQXKIDEU-BNHRFMORSA-N	0	1	518.588	7.049	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(N(CC)CC)cc3)CC(=O)C2[C@H]1c1ccco1	ZINC000008445066	553053106	/nfs/dbraw/zinc/05/31/06/553053106.db2.gz	HJXSFSNWYRJIMN-GJBXTBEHSA-N	0	1	525.693	7.607	50	30		KKEAMN
CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccc(C)cc2)c1CSC(=N)Nc1ccccc1	ZINC000008453836	553067095	/nfs/dbraw/zinc/06/70/95/553067095.db2.gz	YIHZEUOLDOSMED-UHFFFAOYSA-N	0	1	580.504	6.683	50	30		KKEAMN
CN(C)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccc(F)cc2)cc1	ZINC000008694800	553120614	/nfs/dbraw/zinc/12/06/14/553120614.db2.gz	ZSXYUKJFAOIZMK-MUUNZHRXSA-N	0	1	514.670	6.905	50	30		KKEAMN
Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccccc3Cl)C2)cc1	ZINC000008695603	553122449	/nfs/dbraw/zinc/12/24/49/553122449.db2.gz	JIOPGTXJOJRDLA-WXTAPIANSA-N	0	1	510.943	7.111	50	30		KKEAMN
Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccccc3Cl)C2)cc1	ZINC000008695604	553122488	/nfs/dbraw/zinc/12/24/88/553122488.db2.gz	JIOPGTXJOJRDLA-HFJWLAOPSA-N	0	1	510.943	7.111	50	30		KKEAMN
O=S(=O)(N=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccccc1)c1ccc(Br)cc1	ZINC000008757353	553136511	/nfs/dbraw/zinc/13/65/11/553136511.db2.gz	VTPLQLFEYUAJEQ-UHFFFAOYSA-N	0	1	500.201	5.709	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000008770843	553141333	/nfs/dbraw/zinc/14/13/33/553141333.db2.gz	UQKVHFJORMZJAU-LJAQVGFWSA-N	0	1	522.645	6.685	50	30		KKEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccs1	ZINC000008774733	553142377	/nfs/dbraw/zinc/14/23/77/553142377.db2.gz	BFQUFJGZOQQVAX-QFIPXVFZSA-N	0	1	507.409	5.813	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(F)cc2)s1	ZINC000008845611	553165811	/nfs/dbraw/zinc/16/58/11/553165811.db2.gz	SKHBSODXKMLHIP-DEOSSOPVSA-N	0	1	515.566	5.656	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC34CC5CC(CC(C5)C3)C4)[C@@H]2c2cccc(Cl)c2)C1	ZINC000008892166	553176496	/nfs/dbraw/zinc/17/64/96/553176496.db2.gz	IYHIWNUXEBERCY-ZZHIIEOYSA-N	0	1	530.112	7.635	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2F)cc1	ZINC000008892675	553176721	/nfs/dbraw/zinc/17/67/21/553176721.db2.gz	AIEWEWZERRYHON-OAQYLSRUSA-N	0	1	522.554	5.115	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000008934727	553193226	/nfs/dbraw/zinc/19/32/26/553193226.db2.gz	FVUHTURHNCUVEY-QFIPXVFZSA-N	0	1	503.511	5.689	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000008973892	553195460	/nfs/dbraw/zinc/19/54/60/553195460.db2.gz	MNJZZMLMSKRKET-QFIPXVFZSA-N	0	1	508.958	6.270	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000009007494	553198148	/nfs/dbraw/zinc/19/81/48/553198148.db2.gz	BLLCAAKLPJPAKS-QFIPXVFZSA-N	0	1	508.958	6.270	50	30		KKEAMN
O=[N+]([O-])c1ccc([N-][NH+]=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)c([N+](=O)[O-])c1	ZINC000009009044	553199190	/nfs/dbraw/zinc/19/91/90/553199190.db2.gz	ILDDGKYCYKBCJY-BOBZGOHDSA-N	0	1	506.522	6.305	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000009019001	553200761	/nfs/dbraw/zinc/20/07/61/553200761.db2.gz	MHKQWMZHLPKYJF-ZOYWYXQUSA-N	0	1	522.645	6.954	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000009019166	553200786	/nfs/dbraw/zinc/20/07/86/553200786.db2.gz	AAEYFBBGHJDNBK-GDLZYMKVSA-N	0	1	529.633	6.437	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000009042987	553202899	/nfs/dbraw/zinc/20/28/99/553202899.db2.gz	SVQZMNGXLYOHDQ-WHLCRQNOSA-N	0	1	501.970	6.559	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C	ZINC000009045210	553203264	/nfs/dbraw/zinc/20/32/64/553203264.db2.gz	XLEHWOBBEISREA-GDLZYMKVSA-N	0	1	528.649	5.962	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000009045259	553203338	/nfs/dbraw/zinc/20/33/38/553203338.db2.gz	KJRFSMYJLJNUJM-KRWDZBQOSA-N	0	1	503.363	5.328	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(F)cc3)sc2c1	ZINC000009046523	553204013	/nfs/dbraw/zinc/20/40/13/553204013.db2.gz	ULLRWUDIIJGLBZ-QHCPKHFHSA-N	0	1	504.539	5.626	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1	ZINC000009046670	553204294	/nfs/dbraw/zinc/20/42/94/553204294.db2.gz	GTWXQOQQJNXUCN-HXUWFJFHSA-N	0	1	509.381	6.052	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000009046807	553204326	/nfs/dbraw/zinc/20/43/26/553204326.db2.gz	MSOXDUTYDXVVOT-GOSISDBHSA-N	0	1	500.935	5.204	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@@H]2c2ccccc2)nc1C	ZINC000009071857	553207099	/nfs/dbraw/zinc/20/70/99/553207099.db2.gz	MQJKPTWKTSRCRV-IBGZPJMESA-N	0	1	512.971	5.073	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)cc2)cc1Cl	ZINC000009071443	553207120	/nfs/dbraw/zinc/20/71/20/553207120.db2.gz	XOQODQCTXPSPKB-JOCHJYFZSA-N	0	1	500.382	5.257	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(Br)cc1	ZINC000009123638	553212268	/nfs/dbraw/zinc/21/22/68/553212268.db2.gz	UGTLIYMAZLBZKY-HSZRJFAPSA-N	0	1	516.432	5.407	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc(O)c2)s1	ZINC000009123949	553212558	/nfs/dbraw/zinc/21/25/58/553212558.db2.gz	JEKRKRORVXBNSB-XMMPIXPASA-N	0	1	513.575	5.222	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000009160925	553215598	/nfs/dbraw/zinc/21/55/98/553215598.db2.gz	SAQFFNVKMSYHBU-AREMUKBSSA-N	0	1	502.567	5.056	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009175902	553216185	/nfs/dbraw/zinc/21/61/85/553216185.db2.gz	IMBUGKNWDUTYKL-OAQYLSRUSA-N	0	1	505.483	5.135	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(F)cc1	ZINC000009176517	553216445	/nfs/dbraw/zinc/21/64/45/553216445.db2.gz	NWQIHAFITVJCBY-MUUNZHRXSA-N	0	1	508.549	5.887	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC	ZINC000009186693	553217639	/nfs/dbraw/zinc/21/76/39/553217639.db2.gz	LPBRTDXWVWMSDL-NRFANRHFSA-N	0	1	508.502	5.375	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccnc2)cc1	ZINC000009192934	553218968	/nfs/dbraw/zinc/21/89/68/553218968.db2.gz	WPCTYBLOLQIKOC-NRFANRHFSA-N	0	1	500.605	5.317	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000009233764	553224583	/nfs/dbraw/zinc/22/45/83/553224583.db2.gz	ALYUYYKIQOZLFI-YKGWIAGDSA-N	0	1	512.606	6.547	50	30	biogenic	KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccc(C(C)C)cc3)cc2)c1	ZINC000009243620	553226917	/nfs/dbraw/zinc/22/69/17/553226917.db2.gz	XHEKQTBLFZMCSN-LJAQVGFWSA-N	0	1	512.650	5.837	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1cccnc1)c1ccccc1	ZINC000009243814	553227023	/nfs/dbraw/zinc/22/70/23/553227023.db2.gz	PXUUPWJANFPSLX-FQEVSTJZSA-N	0	1	504.568	5.147	50	30		KKEAMN
Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009264225	553228669	/nfs/dbraw/zinc/22/86/69/553228669.db2.gz	DTELUVMJNCSDBY-SMSORMJASA-N	0	1	509.005	7.456	50	30		KKEAMN
COc1ccccc1[C@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)Nc1ccccc1	ZINC000009264337	553229064	/nfs/dbraw/zinc/22/90/64/553229064.db2.gz	INDBITLVUBZOOY-KEEVHDRGSA-N	0	1	505.574	6.894	50	30		KKEAMN
COc1ccccc1[C@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)Nc1ccc(C)cc1	ZINC000009264340	553229114	/nfs/dbraw/zinc/22/91/14/553229114.db2.gz	CWWQEVCDBWGAEL-BGOLNKOXSA-N	0	1	519.601	7.203	50	30		KKEAMN
COc1ccccc1[C@@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)NCc1ccco1	ZINC000009264342	553229129	/nfs/dbraw/zinc/22/91/29/553229129.db2.gz	YRAUWFPXWWNXML-ADXZGYQBSA-N	0	1	509.562	6.165	50	30		KKEAMN
COc1ccccc1[C@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)NCc1ccco1	ZINC000009264343	553229136	/nfs/dbraw/zinc/22/91/36/553229136.db2.gz	YRAUWFPXWWNXML-SLQAJWMNSA-N	0	1	509.562	6.165	50	30		KKEAMN
COc1ccccc1[C@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)Nc1ccc(C)cc1	ZINC000009264338	553229144	/nfs/dbraw/zinc/22/91/44/553229144.db2.gz	CWWQEVCDBWGAEL-UKPGIYTDSA-N	0	1	519.601	7.203	50	30		KKEAMN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@H]3c2cccnc2)cc1	ZINC000009273070	553231941	/nfs/dbraw/zinc/23/19/41/553231941.db2.gz	MBCOPNVYBJMEDN-QJJQMBRDSA-N	0	1	511.625	7.004	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccc(F)cc2)cc1	ZINC000009273052	553231946	/nfs/dbraw/zinc/23/19/46/553231946.db2.gz	AHEMWIXKWGLZNO-QYBDOPJKSA-N	0	1	510.487	6.297	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C	ZINC000009272984	553232027	/nfs/dbraw/zinc/23/20/27/553232027.db2.gz	CTLOJJBRZIUMOG-RUZDIDTESA-N	0	1	525.432	6.510	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000009275211	553232774	/nfs/dbraw/zinc/23/27/74/553232774.db2.gz	KJUCAXQWXAIMBW-IBGZPJMESA-N	0	1	511.353	5.443	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)ccc1OC(C)C	ZINC000009280135	553232829	/nfs/dbraw/zinc/23/28/29/553232829.db2.gz	SRRBUSGIVCPCQF-DEOSSOPVSA-N	0	1	521.411	5.718	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000009311877	553239920	/nfs/dbraw/zinc/23/99/20/553239920.db2.gz	XYKMRLJUXLLMPD-PBBNMVCDSA-N	0	1	511.618	6.358	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000009312243	553240116	/nfs/dbraw/zinc/24/01/16/553240116.db2.gz	KRMAJLDWXIILEM-SMSORMJASA-N	0	1	525.645	6.256	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)cc1OCC	ZINC000009312456	553240240	/nfs/dbraw/zinc/24/02/40/553240240.db2.gz	DUXFRUFYODTBKZ-UZTOHYMASA-N	0	1	523.626	5.202	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(Br)cc3)ccc2O1	ZINC000009312972	553240725	/nfs/dbraw/zinc/24/07/25/553240725.db2.gz	VYKSZWKWPOMFBK-CRICUBBOSA-N	0	1	518.407	5.594	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000009312968	553240727	/nfs/dbraw/zinc/24/07/27/553240727.db2.gz	RZBNNVBQYPHSMS-CLYVBNDRSA-N	0	1	517.578	5.569	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000009318993	553241355	/nfs/dbraw/zinc/24/13/55/553241355.db2.gz	CWGLHFVUPUMWRC-PRAQEBQASA-N	0	1	527.577	5.923	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000009328952	553242232	/nfs/dbraw/zinc/24/22/32/553242232.db2.gz	WCSFUJRSXGWBGX-PIKZIKFNSA-N	0	1	529.637	5.444	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000009353920	553245647	/nfs/dbraw/zinc/24/56/47/553245647.db2.gz	LTVUYMQMGPUMTA-VKGTZQKMSA-N	0	1	513.590	5.586	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(Br)cc3)ccc2O1	ZINC000009353972	553245802	/nfs/dbraw/zinc/24/58/02/553245802.db2.gz	CQTBWVBAGCULNB-UPCLLVRISA-N	0	1	504.380	5.551	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000009354358	553245996	/nfs/dbraw/zinc/24/59/96/553245996.db2.gz	RSBVPKHOVNRWSP-ACSYHNTCSA-N	0	1	525.601	5.752	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000009358001	553247216	/nfs/dbraw/zinc/24/72/16/553247216.db2.gz	VZUNBCUNPLCRAE-KRWDZBQOSA-N	0	1	503.363	5.328	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000009357983	553247241	/nfs/dbraw/zinc/24/72/41/553247241.db2.gz	SQCDCXLICBCWAH-YKGWIAGDSA-N	0	1	525.645	6.400	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(OC)cc2OC)cc1	ZINC000009357817	553247257	/nfs/dbraw/zinc/24/72/57/553247257.db2.gz	PIQUVSOCKJPPCR-QHCPKHFHSA-N	0	1	513.468	5.514	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Br)cc3s2)[C@H]1c1ccccc1F)c1ccccc1	ZINC000009370594	553250076	/nfs/dbraw/zinc/25/00/76/553250076.db2.gz	VUUPIFWUJVYFIC-FQEVSTJZSA-N	0	1	509.356	5.981	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1	ZINC000009375232	553251166	/nfs/dbraw/zinc/25/11/66/553251166.db2.gz	FMCAHRZBVSLDDY-HSZRJFAPSA-N	0	1	504.564	5.778	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1	ZINC000009380740	553251920	/nfs/dbraw/zinc/25/19/20/553251920.db2.gz	FSHLKZFRDMHFKR-RUZDIDTESA-N	0	1	500.561	6.961	50	30		KKEAMN
Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@H]3c3ccco3)C2)cc1	ZINC000009380741	553251922	/nfs/dbraw/zinc/25/19/22/553251922.db2.gz	AIVMBCMRMFQMRC-FPVKQXLYSA-N	0	1	500.598	7.202	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000009403553	553255445	/nfs/dbraw/zinc/25/54/45/553255445.db2.gz	WKVXBMVLYYIAKU-DNOBIOAJSA-N	0	1	515.562	5.345	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2	ZINC000009424031	553258288	/nfs/dbraw/zinc/25/82/88/553258288.db2.gz	GXMFFIMINLHFOU-QFIPXVFZSA-N	0	1	504.951	5.504	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2ccco2)ccc1O	ZINC000009424525	553258664	/nfs/dbraw/zinc/25/86/64/553258664.db2.gz	GHOYJSWFXONKHZ-NDEPHWFRSA-N	0	1	525.557	5.660	50	30		KKEAMN
CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000009424345	553258690	/nfs/dbraw/zinc/25/86/90/553258690.db2.gz	ZDTSWUAWXDCQMQ-YKGWIAGDSA-N	0	1	509.606	6.813	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(OCc2ccccc2)c1	ZINC000009424588	553258733	/nfs/dbraw/zinc/25/87/33/553258733.db2.gz	CGPXLVJCYHJAKU-MUUNZHRXSA-N	0	1	523.541	5.408	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000009425019	553259066	/nfs/dbraw/zinc/25/90/66/553259066.db2.gz	AGQRDVQUNRJIQQ-GDLZYMKVSA-N	0	1	527.617	5.704	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3C)cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000009425144	553259308	/nfs/dbraw/zinc/25/93/08/553259308.db2.gz	SDVNMBVHLMZKSR-MUUNZHRXSA-N	0	1	531.605	5.206	50	30		KKEAMN
CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000009425277	553259312	/nfs/dbraw/zinc/25/93/12/553259312.db2.gz	ZDTSWUAWXDCQMQ-RCRUUEGKSA-N	0	1	509.606	6.813	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000009451975	553265979	/nfs/dbraw/zinc/26/59/79/553265979.db2.gz	XZJUZLTUJQZCLF-WGDIFIGCSA-N	0	1	503.551	5.179	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccco1	ZINC000009452047	553266104	/nfs/dbraw/zinc/26/61/04/553266104.db2.gz	JSUPHSLJZOSFQO-JPQMRUPTSA-N	0	1	510.678	8.058	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000009454282	553266273	/nfs/dbraw/zinc/26/62/73/553266273.db2.gz	IPKJEWQIWHBGJY-AFJIDDCJSA-N	0	1	521.569	5.961	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccs1)c1ccc2c(c1)OCCO2	ZINC000009459771	553266727	/nfs/dbraw/zinc/26/67/27/553266727.db2.gz	WAWQAUIJEUSICR-HXUWFJFHSA-N	0	1	510.980	5.565	50	30		KKEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000009461052	553267166	/nfs/dbraw/zinc/26/71/66/553267166.db2.gz	POXVOYCOMIKDFQ-NDEPHWFRSA-N	0	1	513.634	6.096	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000009461107	553267309	/nfs/dbraw/zinc/26/73/09/553267309.db2.gz	ZRTMNKUCVAVMFN-XMMPIXPASA-N	0	1	517.006	6.467	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCOC)cc1	ZINC000009461116	553267378	/nfs/dbraw/zinc/26/73/78/553267378.db2.gz	GBXPMJKJJCVMOE-NDEPHWFRSA-N	0	1	515.606	5.588	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000009464823	553269331	/nfs/dbraw/zinc/26/93/31/553269331.db2.gz	KEFQSGHBHPCFTH-PPHZAIPVSA-N	0	1	501.579	5.951	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000009471159	553269773	/nfs/dbraw/zinc/26/97/73/553269773.db2.gz	WWCFLFGELILSNY-PIIWDFAUSA-N	0	1	512.606	5.608	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(Br)c1	ZINC000009471415	553269966	/nfs/dbraw/zinc/26/99/66/553269966.db2.gz	IEDQHOCFQZIYEV-DEOSSOPVSA-N	0	1	520.379	5.041	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccco2)ccc1O	ZINC000009507824	553275969	/nfs/dbraw/zinc/27/59/69/553275969.db2.gz	KVWVFLACVYFKSI-NDEPHWFRSA-N	0	1	525.557	5.660	50	30		KKEAMN
COc1cc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC	ZINC000009601768	553287022	/nfs/dbraw/zinc/28/70/22/553287022.db2.gz	ADSSJJCETHAQDM-JMQGSBJISA-N	0	1	514.578	5.616	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1	ZINC000009994302	553324673	/nfs/dbraw/zinc/32/46/73/553324673.db2.gz	UCQATHMPIFSABC-NDEPHWFRSA-N	0	1	534.697	5.382	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)c(C)c1	ZINC000009994385	553324882	/nfs/dbraw/zinc/32/48/82/553324882.db2.gz	JHIDMGIIUODBRK-XMMPIXPASA-N	0	1	521.411	5.720	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)c(C)c1	ZINC000009994386	553324946	/nfs/dbraw/zinc/32/49/46/553324946.db2.gz	JHIDMGIIUODBRK-DEOSSOPVSA-N	0	1	521.411	5.720	50	30		KKEAMN
CC(=[NH+][N-]c1ccc(Cl)cc1)c1cn(N(C)c2ncc(C(F)(F)F)cc2Cl)c(=O)n(Cc2ccc(F)cc2)c1=O	ZINC000012350378	553359110	/nfs/dbraw/zinc/35/91/10/553359110.db2.gz	AZYNTODJZHXYMQ-PUHLOBNQSA-N	0	1	595.384	5.654	50	30		KKEAMN
O=C(C1CCCCC1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000012652268	553409710	/nfs/dbraw/zinc/40/97/10/553409710.db2.gz	HVSKWFHAESDUSP-KCWXNJEJSA-N	0	1	501.026	7.414	50	30		KKEAMN
O=C(NCc1ccco1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000012652323	553409763	/nfs/dbraw/zinc/40/97/63/553409763.db2.gz	VYTDSNHQXABWSQ-GDJIYFAZSA-N	0	1	513.981	6.810	50	30		KKEAMN
COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2ccccc2OC)cc1	ZINC000012652406	553409999	/nfs/dbraw/zinc/40/99/99/553409999.db2.gz	DFCSYOZGSFJHOZ-JCOAXYOVSA-N	0	1	520.585	6.511	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C	ZINC000013570525	553473559	/nfs/dbraw/zinc/47/35/59/553473559.db2.gz	LKNBXLFCLOYTMW-QHCPKHFHSA-N	0	1	506.426	6.096	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@@H]3c2cccc(F)c2)cc1	ZINC000013893206	553494295	/nfs/dbraw/zinc/49/42/95/553494295.db2.gz	GPJHBWFOIFMUSH-URAOTHONSA-N	0	1	524.617	7.110	50	30		KKEAMN
CCOc1ccccc1-c1n[nH]c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)n1	ZINC000014162117	553505590	/nfs/dbraw/zinc/50/55/90/553505590.db2.gz	UJHBUSXCBYAHCG-MRXNPFEDSA-N	0	1	509.701	6.075	50	30		KKEAMN
Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CN2CCCC[C@@H]2c2cccnc2)cc1	ZINC000015079993	553527636	/nfs/dbraw/zinc/52/76/36/553527636.db2.gz	DFVFJGJCWKJBRM-YDYNHKSESA-N	0	1	534.704	6.760	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000016713774	553575343	/nfs/dbraw/zinc/57/53/43/553575343.db2.gz	QZYJVRHQYCCRAQ-GDLZYMKVSA-N	0	1	529.633	6.437	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000016729909	553576049	/nfs/dbraw/zinc/57/60/49/553576049.db2.gz	WZLBBQZZIGUEKU-HHHXNRCGSA-N	0	1	519.594	6.034	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(OCCCC)c(OC)c2)cc1	ZINC000016729970	553576052	/nfs/dbraw/zinc/57/60/52/553576052.db2.gz	YRHDKANVVZVZMN-CUBQBAPOSA-N	0	1	537.653	5.810	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000016731736	553577313	/nfs/dbraw/zinc/57/73/13/553577313.db2.gz	MQKGIMDVVMMBAX-VWLOTQADSA-N	0	1	509.530	5.393	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000016731754	553577319	/nfs/dbraw/zinc/57/73/19/553577319.db2.gz	UTVIXRMKOBHMOO-AREMUKBSSA-N	0	1	507.558	6.083	50	30		KKEAMN
CC(C)CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1	ZINC000016736863	553579082	/nfs/dbraw/zinc/57/90/82/553579082.db2.gz	NTXLNLBNSIHMAK-AREMUKBSSA-N	0	1	503.551	5.254	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000016805201	553582649	/nfs/dbraw/zinc/58/26/49/553582649.db2.gz	JRIKTHDLLGDTMB-HHHXNRCGSA-N	0	1	510.521	5.800	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2cccc(F)c2)nc1C	ZINC000016805469	553582877	/nfs/dbraw/zinc/58/28/77/553582877.db2.gz	YHERJSRYHOWWCJ-FQEVSTJZSA-N	0	1	510.518	5.164	50	30		KKEAMN
COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2ccc(F)cc2)c1	ZINC000017160196	553589576	/nfs/dbraw/zinc/58/95/76/553589576.db2.gz	ONQFSNCEYQZHNT-QNLPTKCRSA-N	0	1	518.588	7.049	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)cc1OC	ZINC000018117643	553605018	/nfs/dbraw/zinc/60/50/18/553605018.db2.gz	AESVAWGOAHQLGM-JOCHJYFZSA-N	0	1	541.398	5.535	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1cccc(OC)c1	ZINC000018142928	553605953	/nfs/dbraw/zinc/60/59/53/553605953.db2.gz	MLSJSZFTSVEINR-UDNBHOFDSA-N	0	1	512.625	7.315	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccc(Cl)cc2)cc1OC	ZINC000018172534	553607189	/nfs/dbraw/zinc/60/71/89/553607189.db2.gz	AVAHFWFFLUFJHE-OLILMLBXSA-N	0	1	502.998	6.278	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(C)C)[C@@H]3c2cccs2)cc1OC	ZINC000018284663	553612165	/nfs/dbraw/zinc/61/21/65/553612165.db2.gz	YIEXZJKFOWCLTR-WHLCRQNOSA-N	0	1	502.636	6.322	50	30		KKEAMN
O=C1C(=NNc2ccccc2)c2ccccc2N1CN1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000020231727	553617512	/nfs/dbraw/zinc/61/75/12/553617512.db2.gz	TZADHNBQKKYOJS-BVNFUTIRSA-N	0	1	501.634	5.214	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000019848111	553623186	/nfs/dbraw/zinc/62/31/86/553623186.db2.gz	CXADKESHBNYKDP-OWJWWREXSA-N	0	1	524.595	5.218	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000019848115	553623633	/nfs/dbraw/zinc/62/36/33/553623633.db2.gz	CXADKESHBNYKDP-MYYSRTQBSA-N	0	1	524.595	5.218	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020057891	553671453	/nfs/dbraw/zinc/67/14/53/553671453.db2.gz	JELNASRSQUKFFS-MUUNZHRXSA-N	0	1	514.622	5.113	50	30		KKEAMN
CCCc1cc(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n2c3ccccc3nc2c1C#N	ZINC000020065578	553675295	/nfs/dbraw/zinc/67/52/95/553675295.db2.gz	BBNARRIJHYYRHM-HKBQPEDESA-N	0	1	520.080	6.877	50	30		KKEAMN
CCCCCCCCOc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)cc1	ZINC000085877851	553689401	/nfs/dbraw/zinc/68/94/01/553689401.db2.gz	FLXCWXMIDGPWDK-UHFFFAOYSA-N	0	1	503.599	7.022	50	30	biogenic	KKEAMN
C=CCN1CC[C@@]23c4c5c(OC(=O)CCCCCCCCCCCC)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5	ZINC000085893517	553690616	/nfs/dbraw/zinc/69/06/16/553690616.db2.gz	DUDUQJDKARDUEM-SSHYCOHZSA-N	0	1	523.714	5.812	50	30	biogenic	KKEAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc2)n1	ZINC000095100610	553698975	/nfs/dbraw/zinc/69/89/75/553698975.db2.gz	HFSFJFHWRIGOBK-GOEBONIOSA-N	0	1	756.391	6.705	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000095201993	553700743	/nfs/dbraw/zinc/70/07/43/553700743.db2.gz	LQCAPZFOMOXRHZ-WNSKOXEYSA-N	0	1	512.584	5.074	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000095201996	553700767	/nfs/dbraw/zinc/70/07/67/553700767.db2.gz	LQCAPZFOMOXRHZ-IQMFZBJNSA-N	0	1	512.584	5.074	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl	ZINC000095483800	553702190	/nfs/dbraw/zinc/70/21/90/553702190.db2.gz	YJUBLCJVRJBQQK-RUZDIDTESA-N	0	1	508.018	5.727	50	30		KKEAMN
CCCCCCCCCC(=O)OCCN1CCN([C@@H]2Cc3ccccc3Sc3ccc(OC)cc32)CC1	ZINC000022789159	553750291	/nfs/dbraw/zinc/75/02/91/553750291.db2.gz	JSFYWUNIAAXWNL-MUUNZHRXSA-N	0	1	524.771	6.745	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC	ZINC000097939533	553759698	/nfs/dbraw/zinc/75/96/98/553759698.db2.gz	JOWUBPYLGSVTKA-LJAQVGFWSA-N	0	1	598.677	7.412	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939694	553760523	/nfs/dbraw/zinc/76/05/23/553760523.db2.gz	MEJWMKDYRGRMQG-VOIUYBSRSA-N	0	1	558.678	5.419	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)OCc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939731	553760769	/nfs/dbraw/zinc/76/07/69/553760769.db2.gz	SAIQJGHRUITONW-GDJIYFAZSA-N	0	1	590.654	5.874	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)OCc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939730	553760831	/nfs/dbraw/zinc/76/08/31/553760831.db2.gz	SAIQJGHRUITONW-HMILPKGGSA-N	0	1	590.654	5.874	50	30		KKEAMN
O=C(c1cccs1)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl	ZINC000097945475	553772436	/nfs/dbraw/zinc/77/24/36/553772436.db2.gz	DXXCNCQXSWPXML-XBBWARJSSA-N	0	1	529.036	7.755	50	30		KKEAMN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cccc(Br)c2)cc1	ZINC000097948325	553793163	/nfs/dbraw/zinc/79/31/63/553793163.db2.gz	GFOTYEIGTPUQFY-ZOYWYXQUSA-N	0	1	563.495	7.972	50	30		KKEAMN
COc1cccc([C@@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)c1	ZINC000097948760	553796512	/nfs/dbraw/zinc/79/65/12/553796512.db2.gz	RHKMZFQMEZWVBQ-GFJKYASSSA-N	0	1	602.493	8.747	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]3c2ccc(F)cc2)cc1	ZINC000097948967	553798196	/nfs/dbraw/zinc/79/81/96/553798196.db2.gz	OAXKKUNHFQHJDU-CGDLVVIGSA-N	0	1	622.693	7.383	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1	ZINC000097949131	553799640	/nfs/dbraw/zinc/79/96/40/553799640.db2.gz	OOUURFFQUIEZGB-HFOCTHEHSA-N	0	1	649.231	9.573	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1	ZINC000097951552	553809648	/nfs/dbraw/zinc/80/96/48/553809648.db2.gz	DBTMZAQLVJOVLE-HKBQPEDESA-N	0	1	533.753	8.755	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000097951602	553810211	/nfs/dbraw/zinc/81/02/11/553810211.db2.gz	SLNZZIDQNVAUEE-IBGZPJMESA-N	0	1	514.173	5.390	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000097951657	553810611	/nfs/dbraw/zinc/81/06/11/553810611.db2.gz	RWWFUDKEKKZVSK-SANMLTNESA-N	0	1	540.443	6.496	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000097952187	553813829	/nfs/dbraw/zinc/81/38/29/553813829.db2.gz	DOFOFPYYIFFLSK-MUUNZHRXSA-N	0	1	547.051	5.138	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000097952258	553814340	/nfs/dbraw/zinc/81/43/40/553814340.db2.gz	JTKNYDNZVMQKOP-HSZRJFAPSA-N	0	1	533.005	6.082	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1	ZINC000097952287	553814805	/nfs/dbraw/zinc/81/48/05/553814805.db2.gz	QQVRYQNZQUJMQW-WJOKGBTCSA-N	0	1	532.640	6.871	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000097952320	553815173	/nfs/dbraw/zinc/81/51/73/553815173.db2.gz	BKFBFXAYYYMHSR-NDEPHWFRSA-N	0	1	535.556	5.656	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000097952463	553816073	/nfs/dbraw/zinc/81/60/73/553816073.db2.gz	FOCSSDSOWJCDME-HXUWFJFHSA-N	0	1	525.449	6.466	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(C(C)(C)C)cc3)cc2)c1	ZINC000097952599	553817101	/nfs/dbraw/zinc/81/71/01/553817101.db2.gz	MYQBOMBALJHAPM-SSEXGKCCSA-N	0	1	535.640	7.243	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097952988	553818499	/nfs/dbraw/zinc/81/84/99/553818499.db2.gz	JEMWRNRAEAPMDT-LJAQVGFWSA-N	0	1	541.600	5.242	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000097952982	553818516	/nfs/dbraw/zinc/81/85/16/553818516.db2.gz	LWUCLIHCDPXJLS-QHCPKHFHSA-N	0	1	529.530	5.067	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000097953015	553818947	/nfs/dbraw/zinc/81/89/47/553818947.db2.gz	NJZVODNBRZHWFD-MUUNZHRXSA-N	0	1	547.604	5.797	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097954501	553823444	/nfs/dbraw/zinc/82/34/44/553823444.db2.gz	CCOYEDSVCDXTJJ-JPZYQRIQSA-N	0	1	531.608	6.368	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000097954746	553825395	/nfs/dbraw/zinc/82/53/95/553825395.db2.gz	NPCUNQIFFLPHCZ-UGDMGKLASA-N	0	1	531.608	6.368	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1	ZINC000097955092	553828354	/nfs/dbraw/zinc/82/83/54/553828354.db2.gz	KCWSQGLZNSUALN-ZAMGYDSWSA-N	0	1	565.420	6.304	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1	ZINC000097955094	553828379	/nfs/dbraw/zinc/82/83/79/553828379.db2.gz	KCWSQGLZNSUALN-NPMABZOXSA-N	0	1	565.420	6.304	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1	ZINC000097955099	553828717	/nfs/dbraw/zinc/82/87/17/553828717.db2.gz	TZWIOFFRPCDVQH-ZAMGYDSWSA-N	0	1	537.424	6.709	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cc(Br)c(O)c(OC)c2)cc1	ZINC000097955129	553828844	/nfs/dbraw/zinc/82/88/44/553828844.db2.gz	NXHNEFXYFUOWAB-OAQYLSRUSA-N	0	1	543.370	5.031	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1	ZINC000097955147	553829176	/nfs/dbraw/zinc/82/91/76/553829176.db2.gz	PKIBAAPQKOEGNY-NPMABZOXSA-N	0	1	520.969	6.195	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCC=C)c(OCC)c2)nc1C	ZINC000097955207	553829878	/nfs/dbraw/zinc/82/98/78/553829878.db2.gz	GHQMOSNRYCYSES-AREMUKBSSA-N	0	1	618.664	5.312	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1	ZINC000097955286	553830508	/nfs/dbraw/zinc/83/05/08/553830508.db2.gz	ZZCXLASIVRQLDJ-ODCWNRFASA-N	0	1	530.577	5.940	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1	ZINC000097955287	553830657	/nfs/dbraw/zinc/83/06/57/553830657.db2.gz	ZZCXLASIVRQLDJ-SGANQWHYSA-N	0	1	530.577	5.940	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000097955573	553831292	/nfs/dbraw/zinc/83/12/92/553831292.db2.gz	BCXKJKDPMIIDIU-ODCWNRFASA-N	0	1	547.032	6.455	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000097955581	553831569	/nfs/dbraw/zinc/83/15/69/553831569.db2.gz	HDNDGWQOVSGFGA-LFPIHBKWSA-N	0	1	544.560	5.328	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1	ZINC000097955608	553832082	/nfs/dbraw/zinc/83/20/82/553832082.db2.gz	CQVJWPJZRJXPRD-NPMABZOXSA-N	0	1	531.521	5.450	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C	ZINC000097955666	553832388	/nfs/dbraw/zinc/83/23/88/553832388.db2.gz	GTHHQEKXVKCVHZ-NDEPHWFRSA-N	0	1	621.111	6.937	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccnc2)nc1C	ZINC000097955657	553832505	/nfs/dbraw/zinc/83/25/05/553832505.db2.gz	SZXDLQDWZKSTQR-SANMLTNESA-N	0	1	581.650	5.860	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000097956687	553840696	/nfs/dbraw/zinc/84/06/96/553840696.db2.gz	SRKJITHEVDWILF-BSEYFRJRSA-N	0	1	543.557	5.319	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000097956685	553840748	/nfs/dbraw/zinc/84/07/48/553840748.db2.gz	SRKJITHEVDWILF-LFPIHBKWSA-N	0	1	543.557	5.319	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000097956808	553842282	/nfs/dbraw/zinc/84/22/82/553842282.db2.gz	FVTKYUWUKGMJGG-VWLOTQADSA-N	0	1	570.623	6.130	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC=C)c(C)c3)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000097956878	553843054	/nfs/dbraw/zinc/84/30/54/553843054.db2.gz	DTELDXNDMWEIEO-QHCPKHFHSA-N	0	1	565.047	6.104	50	30		KKEAMN
C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)c1	ZINC000032969150	553882761	/nfs/dbraw/zinc/88/27/61/553882761.db2.gz	TYPXMHPYLJAKBQ-GDLZYMKVSA-N	0	1	533.694	5.034	50	30		KKEAMN
F[C@@H](C(F)(F)F)C(F)(F)Oc1cc(C=NNc2ncnc3nc[nH]c32)ccc1OC(F)(F)[C@H](F)C(F)(F)F	ZINC000097965327	553904172	/nfs/dbraw/zinc/90/41/72/553904172.db2.gz	LZDKHMCNTBMNCF-WRNOFVFISA-N	0	1	570.294	5.543	50	30		KKEAMN
O=C(Nc1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1)c1cc2ccccc2o1	ZINC000097966013	553906419	/nfs/dbraw/zinc/90/64/19/553906419.db2.gz	AOVKCHXMJXBUHG-BRJLIKDPSA-N	0	1	514.173	6.666	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1cccc(Br)c1	ZINC000097966757	553909939	/nfs/dbraw/zinc/90/99/39/553909939.db2.gz	FTDSEHLINFWSNI-SANMLTNESA-N	0	1	549.465	5.476	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc(Br)c1	ZINC000097966757	553909942	/nfs/dbraw/zinc/90/99/42/553909942.db2.gz	FTDSEHLINFWSNI-SANMLTNESA-N	0	1	549.465	5.476	50	30		KKEAMN
Brc1ccc(C=Nc2ccc3[nH]c(-c4ccc(-c5nc6ccc(N=Cc7ccc(Br)cc7)cc6[nH]5)cc4)nc3c2)cc1	ZINC000097966769	553910297	/nfs/dbraw/zinc/91/02/97/553910297.db2.gz	AEMFHTCDBNRKKC-RIOOQTRLSA-N	0	1	674.400	9.799	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC	ZINC000097966834	553910739	/nfs/dbraw/zinc/91/07/39/553910739.db2.gz	JSAPNSZNCPHKLB-PMERELPUSA-N	0	1	580.637	5.773	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Br)cc1	ZINC000097966864	553911286	/nfs/dbraw/zinc/91/12/86/553911286.db2.gz	GJMKNMGIKUJZDK-WJOKGBTCSA-N	0	1	612.649	9.517	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000097967017	553913105	/nfs/dbraw/zinc/91/31/05/553913105.db2.gz	QYEZRPNDNIECDH-NRFANRHFSA-N	0	1	555.837	6.504	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000097967064	553913433	/nfs/dbraw/zinc/91/34/33/553913433.db2.gz	WEGYRGQEFZMWQR-UVDDSOTQSA-N	0	1	555.671	6.756	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(Cl)cc1	ZINC000097967109	553913849	/nfs/dbraw/zinc/91/38/49/553913849.db2.gz	UQIKYQZQQPMYTB-SSEXGKCCSA-N	0	1	617.068	10.162	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000097967136	553914338	/nfs/dbraw/zinc/91/43/38/553914338.db2.gz	VHVCWLHRSHYVOP-JGCGQSQUSA-N	0	1	584.713	6.123	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000097967218	553915350	/nfs/dbraw/zinc/91/53/50/553915350.db2.gz	NULXDRBPBRHLMK-NHRFMIRVSA-N	0	1	575.661	6.419	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000097967250	553915845	/nfs/dbraw/zinc/91/58/45/553915845.db2.gz	CDFSDEPLHUZHRW-PMERELPUSA-N	0	1	557.643	6.060	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097967299	553916674	/nfs/dbraw/zinc/91/66/74/553916674.db2.gz	PATINVOWOKZNQQ-SLQAJWMNSA-N	0	1	678.232	7.778	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)s2)cc1	ZINC000097967308	553916693	/nfs/dbraw/zinc/91/66/93/553916693.db2.gz	DZENTNQWFCVRFB-UDNBHOFDSA-N	0	1	661.805	7.824	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1	ZINC000097967325	553916798	/nfs/dbraw/zinc/91/67/98/553916798.db2.gz	QRUCWGBDRFNKLQ-JCQPUDPBSA-N	0	1	565.420	6.304	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1	ZINC000097967335	553917326	/nfs/dbraw/zinc/91/73/26/553917326.db2.gz	QVKCLDMCJOJDRQ-ULKXQASOSA-N	0	1	726.276	8.568	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097967346	553917338	/nfs/dbraw/zinc/91/73/38/553917338.db2.gz	DFEOEXJTMFPHGM-ONOMSOESSA-N	0	1	627.788	7.424	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097967376	553917661	/nfs/dbraw/zinc/91/76/61/553917661.db2.gz	GTHXRJOCSSNRFL-ROTAYESASA-N	0	1	665.768	7.655	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000097967407	553918085	/nfs/dbraw/zinc/91/80/85/553918085.db2.gz	VOPICFILUMBCOV-MGBGTMOVSA-N	0	1	672.759	8.257	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000097967506	553919266	/nfs/dbraw/zinc/91/92/66/553919266.db2.gz	NBCMWMRHEFYBPT-NHOCJEJCSA-N	0	1	707.874	8.668	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000097967549	553920149	/nfs/dbraw/zinc/92/01/49/553920149.db2.gz	PNTJLHUJOYHPDS-GDLZYMKVSA-N	0	1	558.631	5.599	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC	ZINC000097967613	553920936	/nfs/dbraw/zinc/92/09/36/553920936.db2.gz	VTYJILDFDRBGCA-GDLZYMKVSA-N	0	1	616.692	6.437	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1	ZINC000097967735	553922129	/nfs/dbraw/zinc/92/21/29/553922129.db2.gz	DSYRIIJYHPDRLC-GSTQUKTASA-N	0	1	760.721	9.221	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097967754	553922712	/nfs/dbraw/zinc/92/27/12/553922712.db2.gz	SLHVHCHXIFFGPA-PIIWDFAUSA-N	0	1	611.745	6.810	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C	ZINC000097967831	553923926	/nfs/dbraw/zinc/92/39/26/553923926.db2.gz	RDIAFZGCJPLFEW-PKHCJMHPSA-N	0	1	740.731	9.067	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000097967887	553924495	/nfs/dbraw/zinc/92/44/95/553924495.db2.gz	BDZGZRFQZVAHME-IZHWHUGBSA-N	0	1	594.089	6.729	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000097967864	553924569	/nfs/dbraw/zinc/92/45/69/553924569.db2.gz	ZDPFFHAHSJRRKP-XMMPIXPASA-N	0	1	591.642	5.532	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000097967957	553925804	/nfs/dbraw/zinc/92/58/04/553925804.db2.gz	WNGCIBPDCBYSNF-LDLUVENISA-N	0	1	710.661	8.207	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000097968001	553926198	/nfs/dbraw/zinc/92/61/98/553926198.db2.gz	HIGVSZHLKTWPSO-SHACYNPGSA-N	0	1	628.534	7.383	50	30		KKEAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2cccc(Cl)c2)C2=C1C(=O)CC(C)(C)C2	ZINC000033353700	553926426	/nfs/dbraw/zinc/92/64/26/553926426.db2.gz	CQENTNJXTSZYFA-SANMLTNESA-N	0	1	529.946	5.618	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097968019	553926602	/nfs/dbraw/zinc/92/66/02/553926602.db2.gz	WPYOQNRXECATOT-RUZDIDTESA-N	0	1	622.124	6.437	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2	ZINC000097968053	553926975	/nfs/dbraw/zinc/92/69/75/553926975.db2.gz	HVDCKJJKOIRYKE-QHCPKHFHSA-N	0	1	559.625	5.090	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097968101	553927420	/nfs/dbraw/zinc/92/74/20/553927420.db2.gz	OTKPZZZXNIVTLW-VWLOTQADSA-N	0	1	622.124	6.437	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097968090	553927460	/nfs/dbraw/zinc/92/74/60/553927460.db2.gz	CXOKLTNIJWSDPI-SONOPUAISA-N	0	1	696.678	8.668	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000097968114	553927966	/nfs/dbraw/zinc/92/79/66/553927966.db2.gz	HXHSDIFZHHDOHX-QHCPKHFHSA-N	0	1	596.061	6.177	50	30		KKEAMN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000097968213	553929087	/nfs/dbraw/zinc/92/90/87/553929087.db2.gz	CFUDIWOSKMSBIH-SANMLTNESA-N	0	1	585.707	6.508	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000097968199	553929119	/nfs/dbraw/zinc/92/91/19/553929119.db2.gz	FDNWYSRNWPRHIE-XMMPIXPASA-N	0	1	670.552	6.478	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000097968200	553929141	/nfs/dbraw/zinc/92/91/41/553929141.db2.gz	FDNWYSRNWPRHIE-DEOSSOPVSA-N	0	1	670.552	6.478	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000097968237	553929607	/nfs/dbraw/zinc/92/96/07/553929607.db2.gz	NHTVTTIVFVBWIL-OWJWWREXSA-N	0	1	594.089	6.729	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000097968288	553930154	/nfs/dbraw/zinc/93/01/54/553930154.db2.gz	HEPIOCKASUSLLO-DEOSSOPVSA-N	0	1	636.107	5.825	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097968331	553930668	/nfs/dbraw/zinc/93/06/68/553930668.db2.gz	FPVZOGFJPSNJQB-GDLZYMKVSA-N	0	1	659.786	6.880	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097968343	553930698	/nfs/dbraw/zinc/93/06/98/553930698.db2.gz	NWZZYWMHXVDASL-HHHXNRCGSA-N	0	1	615.733	6.563	50	30		KKEAMN
O=C(N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccccc1Cl)C(F)(F)F	ZINC000033354711	553930960	/nfs/dbraw/zinc/93/09/60/553930960.db2.gz	IDXCCYAGSIZIIS-PUAOIOHZSA-N	0	1	531.361	7.456	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)ccc1OCc1ccc(Cl)cc1	ZINC000033354669	553930950	/nfs/dbraw/zinc/93/09/50/553930950.db2.gz	GEGDYHYQKVHQKW-LJTBLCAVSA-N	0	1	661.223	9.594	50	30		KKEAMN
CCOc1ccc(-c2nc3cc(/N=C/c4cc(I)cc(I)c4O)ccc3o2)cc1	ZINC000033354736	553931181	/nfs/dbraw/zinc/93/11/81/553931181.db2.gz	VDTQUCMIVWAZTR-BRJLIKDPSA-N	0	1	610.189	6.559	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C	ZINC000097968427	553932350	/nfs/dbraw/zinc/93/23/50/553932350.db2.gz	HCJOFGOAKIKZGC-PMERELPUSA-N	0	1	708.258	7.862	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4cc(OC)c(OC)c(OC)c4)C3)[C@@H]2c2cccc(F)c2)cc(OC)c1OC	ZINC000033355188	553933434	/nfs/dbraw/zinc/93/34/34/553933434.db2.gz	SHBHLLGDUVTMBM-DGOBPVDHSA-N	0	1	668.718	7.092	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@@H]2c2cccc(Br)c2)cc(OC)c1OC	ZINC000033355177	553933514	/nfs/dbraw/zinc/93/35/14/553933514.db2.gz	GDWRRQJYZYAPDD-NHRFMIRVSA-N	0	1	639.546	7.689	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000097968992	553935588	/nfs/dbraw/zinc/93/55/88/553935588.db2.gz	OLWCYUNKNJKCCZ-JGCGQSQUSA-N	0	1	584.713	6.267	50	30		KKEAMN
O=C(c1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1	ZINC000033355657	553936135	/nfs/dbraw/zinc/93/61/35/553936135.db2.gz	XFRSXAFAHXIXAV-OLILMLBXSA-N	0	1	529.036	7.755	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000097969062	553936284	/nfs/dbraw/zinc/93/62/84/553936284.db2.gz	ICXSCHWZKFDWNT-JOCHJYFZSA-N	0	1	551.418	5.859	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097969123	553937100	/nfs/dbraw/zinc/93/71/00/553937100.db2.gz	VWHFSYNIMIFKAS-ROTAYESASA-N	0	1	682.223	8.169	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000097969188	553937753	/nfs/dbraw/zinc/93/77/53/553937753.db2.gz	WFYJULAQFDODCZ-QWXGXRTQSA-N	0	1	577.058	6.463	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097969247	553938763	/nfs/dbraw/zinc/93/87/63/553938763.db2.gz	SBZJIAGMQCPIMT-GDJIYFAZSA-N	0	1	631.751	7.255	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000097969310	553939259	/nfs/dbraw/zinc/93/92/59/553939259.db2.gz	SMGQYUALHBERDA-LJAQVGFWSA-N	0	1	642.730	6.706	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)s2)cc1	ZINC000097969300	553939323	/nfs/dbraw/zinc/93/93/23/553939323.db2.gz	ZBWYUCRNHVOJPS-GKVSMKOHSA-N	0	1	573.671	6.384	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097969337	553939628	/nfs/dbraw/zinc/93/96/28/553939628.db2.gz	WHQXNSFCKMKFMA-PPHZAIPVSA-N	0	1	597.718	6.502	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccncc2)ccc1O	ZINC000097969315	553939703	/nfs/dbraw/zinc/93/97/03/553939703.db2.gz	XZHHXIZGMPCJTB-PMERELPUSA-N	0	1	550.611	5.852	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097969358	553940204	/nfs/dbraw/zinc/94/02/04/553940204.db2.gz	QUSXHHOYRTUXTC-AFJIDDCJSA-N	0	1	662.233	8.015	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097969375	553940448	/nfs/dbraw/zinc/94/04/48/553940448.db2.gz	MRZKAZSVTBFZQT-GDJIYFAZSA-N	0	1	648.206	7.769	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097969373	553940479	/nfs/dbraw/zinc/94/04/79/553940479.db2.gz	MRZKAZSVTBFZQT-VKGTZQKMSA-N	0	1	648.206	7.769	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C	ZINC000097969408	553940853	/nfs/dbraw/zinc/94/08/53/553940853.db2.gz	OFLQSTAUQGPUAC-SANMLTNESA-N	0	1	561.506	5.781	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000097969444	553941166	/nfs/dbraw/zinc/94/11/66/553941166.db2.gz	AKMIUCZCOXHYTQ-LJAQVGFWSA-N	0	1	565.626	5.226	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000097969530	553941929	/nfs/dbraw/zinc/94/19/29/553941929.db2.gz	FOQOCPKLYJPGJE-JPZYQRIQSA-N	0	1	555.671	6.612	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1	ZINC000097969593	553942429	/nfs/dbraw/zinc/94/24/29/553942429.db2.gz	BKPXUYWKGIQNJW-HKBQPEDESA-N	0	1	578.621	5.609	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097969572	553942554	/nfs/dbraw/zinc/94/25/54/553942554.db2.gz	IBAIQAWMZWEAJZ-BHNGRWRESA-N	0	1	697.838	8.669	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097969775	553944529	/nfs/dbraw/zinc/94/45/29/553944529.db2.gz	DISQCVSQOMEVOF-OLILMLBXSA-N	0	1	641.771	6.900	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097969798	553944929	/nfs/dbraw/zinc/94/49/29/553944929.db2.gz	YHCBRCGWUKOMAX-OLILMLBXSA-N	0	1	645.778	7.645	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C	ZINC000097969806	553944936	/nfs/dbraw/zinc/94/49/36/553944936.db2.gz	YSZPCTJBGXLBDS-HHHXNRCGSA-N	0	1	614.676	6.013	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097969801	553945066	/nfs/dbraw/zinc/94/50/66/553945066.db2.gz	AMHBIEZHIKSDKD-PRAQEBQASA-N	0	1	675.804	7.653	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097969830	553945462	/nfs/dbraw/zinc/94/54/62/553945462.db2.gz	DXDSHLHFSQDNSQ-MYUZEXMDSA-N	0	1	617.724	6.865	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097969855	553945862	/nfs/dbraw/zinc/94/58/62/553945862.db2.gz	VLOZWWNIBNGGET-WRGVRERRSA-N	0	1	692.259	8.168	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1	ZINC000097969846	553946024	/nfs/dbraw/zinc/94/60/24/553946024.db2.gz	ZNQCJUQMDVAOIW-URAOTHONSA-N	0	1	556.659	5.128	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1	ZINC000097969862	553946033	/nfs/dbraw/zinc/94/60/33/553946033.db2.gz	KTMZPSAPCJEGEK-HHHXNRCGSA-N	0	1	570.623	5.675	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097969856	553946053	/nfs/dbraw/zinc/94/60/53/553946053.db2.gz	VLOZWWNIBNGGET-PRAQEBQASA-N	0	1	692.259	8.168	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097969860	553946079	/nfs/dbraw/zinc/94/60/79/553946079.db2.gz	HMFOROSSGMGAEQ-WHLCRQNOSA-N	0	1	629.760	6.734	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000097969895	553946566	/nfs/dbraw/zinc/94/65/66/553946566.db2.gz	PXQLJGLLPHLVNG-HPGBDJQBSA-N	0	1	605.112	7.244	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1	ZINC000097970056	553949116	/nfs/dbraw/zinc/94/91/16/553949116.db2.gz	QTBZFWKYUGIHBY-AREMUKBSSA-N	0	1	556.596	5.285	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C	ZINC000097970144	553949936	/nfs/dbraw/zinc/94/99/36/553949936.db2.gz	HAFMANOOEOBYDS-IVCQMTBJSA-N	0	1	592.670	5.532	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC	ZINC000097970131	553950058	/nfs/dbraw/zinc/95/00/58/553950058.db2.gz	ONKZPVFBTYSEJA-VWLOTQADSA-N	0	1	608.669	5.370	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097970228	553951147	/nfs/dbraw/zinc/95/11/47/553951147.db2.gz	KUJPFCDOETZZLO-ONOMSOESSA-N	0	1	627.788	7.362	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097970246	553951627	/nfs/dbraw/zinc/95/16/27/553951627.db2.gz	QJODPTZUVUUFST-ROTAYESASA-N	0	1	649.794	7.879	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000097970304	553952500	/nfs/dbraw/zinc/95/25/00/553952500.db2.gz	OHNPKJGVLJIHBL-LMKMVOKYSA-N	0	1	617.680	5.862	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097970363	553952851	/nfs/dbraw/zinc/95/28/51/553952851.db2.gz	YBMLNDVEDOUVEM-MYUZEXMDSA-N	0	1	615.708	6.641	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C	ZINC000097970359	553952936	/nfs/dbraw/zinc/95/29/36/553952936.db2.gz	TYPNRCBRLJCNSC-BGOLNKOXSA-N	0	1	706.286	8.414	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000097970375	553953254	/nfs/dbraw/zinc/95/32/54/553953254.db2.gz	CKDKCWQVUZDYDI-SANMLTNESA-N	0	1	604.637	5.275	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000097970457	553954189	/nfs/dbraw/zinc/95/41/89/553954189.db2.gz	DVZQKZSZJCBIRD-YTTGMZPUSA-N	0	1	563.779	8.763	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC	ZINC000097970666	553957168	/nfs/dbraw/zinc/95/71/68/553957168.db2.gz	AAKXMQAMMXKXDO-GDLZYMKVSA-N	0	1	616.692	6.437	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097970680	553957478	/nfs/dbraw/zinc/95/74/78/553957478.db2.gz	NXRVYOJURONNTG-MYUZEXMDSA-N	0	1	615.708	6.641	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000097970683	553957547	/nfs/dbraw/zinc/95/75/47/553957547.db2.gz	NYZUGZYVSKDJKD-SSEXGKCCSA-N	0	1	557.643	6.204	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000097970780	553958604	/nfs/dbraw/zinc/95/86/04/553958604.db2.gz	JAENGFYSVJIPAU-DCFHFQCYSA-N	0	1	515.610	5.054	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000097970894	553959250	/nfs/dbraw/zinc/95/92/50/553959250.db2.gz	QZZXOJKQLQKOKP-JGCGQSQUSA-N	0	1	598.224	9.417	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097970962	553959935	/nfs/dbraw/zinc/95/99/35/553959935.db2.gz	MXPAMLPHAJMDDF-UVDDSOTQSA-N	0	1	555.671	6.409	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc(Br)c1O	ZINC000097970984	553960209	/nfs/dbraw/zinc/96/02/09/553960209.db2.gz	SHOFXJQHOOYZOW-PUAOIOHZSA-N	0	1	564.432	5.308	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000097971010	553960286	/nfs/dbraw/zinc/96/02/86/553960286.db2.gz	QSVVUXYLIFCXQN-FLASPHMUSA-N	0	1	575.661	6.766	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc(Br)c1O	ZINC000097970983	553960325	/nfs/dbraw/zinc/96/03/25/553960325.db2.gz	SHOFXJQHOOYZOW-LMKMVOKYSA-N	0	1	564.432	5.308	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000097971020	553960570	/nfs/dbraw/zinc/96/05/70/553960570.db2.gz	YGUQMPGYUPUWJU-JGCGQSQUSA-N	0	1	582.741	6.172	50	30		KKEAMN
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3C)n2)cc1OC	ZINC000097982668	554004667	/nfs/dbraw/zinc/00/46/67/554004667.db2.gz	XEPZSKZJBMOEQA-HSZRJFAPSA-N	0	1	547.658	5.735	50	30		KKEAMN
COc1ccc(-c2csc(C(C#N)C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3C)n2)cc1OC	ZINC000097982668	554004669	/nfs/dbraw/zinc/00/46/69/554004669.db2.gz	XEPZSKZJBMOEQA-HSZRJFAPSA-N	0	1	547.658	5.735	50	30		KKEAMN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]3c2cccc(Br)c2)cc1	ZINC000097999727	554045385	/nfs/dbraw/zinc/04/53/85/554045385.db2.gz	VFAOANYDHBAZJF-JPQMRUPTSA-N	0	1	632.385	9.279	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1	ZINC000097999807	554046214	/nfs/dbraw/zinc/04/62/14/554046214.db2.gz	PJFQQNJBNZRYTK-ZTUXGFDNSA-N	0	1	623.149	8.247	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1	ZINC000097999900	554046741	/nfs/dbraw/zinc/04/67/41/554046741.db2.gz	NJWBJSXLEHEPKW-ZSQPVGNWSA-N	0	1	655.622	9.528	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)cc1	ZINC000098000312	554050158	/nfs/dbraw/zinc/05/01/58/554050158.db2.gz	KFHIYXQKPYEBNI-JADSYQMUSA-N	0	1	556.662	6.925	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1	ZINC000098003651	554055751	/nfs/dbraw/zinc/05/57/51/554055751.db2.gz	DIGWGDPLQSYITM-HOYUZMNJSA-N	0	1	627.568	8.892	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)cc1C	ZINC000098043590	554128583	/nfs/dbraw/zinc/12/85/83/554128583.db2.gz	FPQCRAONMSYTCR-NRFANRHFSA-N	0	1	541.025	5.772	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000098045521	554132118	/nfs/dbraw/zinc/13/21/18/554132118.db2.gz	VUUKKIBGXQADFA-COOREUGTSA-N	0	1	620.702	6.944	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3ccccc3)cc2)c1	ZINC000098045755	554133753	/nfs/dbraw/zinc/13/37/53/554133753.db2.gz	KKJUPGZIQGQTCJ-GDLZYMKVSA-N	0	1	623.731	7.640	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000098046483	554139327	/nfs/dbraw/zinc/13/93/27/554139327.db2.gz	IHWKUBJZFXGOBQ-VWLOTQADSA-N	0	1	654.583	7.694	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000098046474	554139369	/nfs/dbraw/zinc/13/93/69/554139369.db2.gz	AZBSIPDIWKMWHD-HHHXNRCGSA-N	0	1	665.765	6.957	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000098046478	554139483	/nfs/dbraw/zinc/13/94/83/554139483.db2.gz	LETZFHMPSWVESY-RUZDIDTESA-N	0	1	671.038	8.208	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1F	ZINC000098046516	554140265	/nfs/dbraw/zinc/14/02/65/554140265.db2.gz	SGJZGISJQPXYLM-MUUNZHRXSA-N	0	1	673.744	6.940	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000098046549	554140622	/nfs/dbraw/zinc/14/06/22/554140622.db2.gz	XKTRGVOYIWZGJH-SSEXGKCCSA-N	0	1	539.628	6.831	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C	ZINC000098046573	554140768	/nfs/dbraw/zinc/14/07/68/554140768.db2.gz	MIIFRHIUGLJXPN-MUUNZHRXSA-N	0	1	544.604	5.065	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000098046591	554141084	/nfs/dbraw/zinc/14/10/84/554141084.db2.gz	OYDSQAHPEVTXLJ-QFIPXVFZSA-N	0	1	525.051	6.973	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)cc1OC	ZINC000098046579	554141257	/nfs/dbraw/zinc/14/12/57/554141257.db2.gz	LLRMECAQOIGFSV-MUUNZHRXSA-N	0	1	544.604	5.209	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC	ZINC000098046617	554141619	/nfs/dbraw/zinc/14/16/19/554141619.db2.gz	LEYLUILROIWHJG-NDEPHWFRSA-N	0	1	621.111	7.081	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000098046636	554142062	/nfs/dbraw/zinc/14/20/62/554142062.db2.gz	KFNCXUVETPSIQY-FQEVSTJZSA-N	0	1	585.132	6.349	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(OCc4ccccc4)cc3)cc2)c1	ZINC000098046704	554142714	/nfs/dbraw/zinc/14/27/14/554142714.db2.gz	HTTHFQXPMGCBCQ-DHUJRADRSA-N	0	1	596.683	7.327	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)cc1C	ZINC000098047048	554146114	/nfs/dbraw/zinc/14/61/14/554146114.db2.gz	FVFLRWUYBGXMDM-OAQYLSRUSA-N	0	1	541.025	5.772	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccs2)cc1F	ZINC000098047240	554148333	/nfs/dbraw/zinc/14/83/33/554148333.db2.gz	IICSRHYYLFUVJF-DEOSSOPVSA-N	0	1	573.696	7.276	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC	ZINC000098047283	554148816	/nfs/dbraw/zinc/14/88/16/554148816.db2.gz	BFOOZKOCHZIXNQ-RUZDIDTESA-N	0	1	564.660	6.023	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000098047318	554149194	/nfs/dbraw/zinc/14/91/94/554149194.db2.gz	WKXVGKJEOIKHNI-NDEPHWFRSA-N	0	1	660.148	8.207	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000098047339	554149520	/nfs/dbraw/zinc/14/95/20/554149520.db2.gz	KZMRSDCEVWILKG-SANMLTNESA-N	0	1	605.713	6.940	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000098047342	554149580	/nfs/dbraw/zinc/14/95/80/554149580.db2.gz	HHMGKYGEMDCBEW-RUZDIDTESA-N	0	1	610.132	7.585	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000098047354	554149635	/nfs/dbraw/zinc/14/96/35/554149635.db2.gz	BTUNLMXEQCCSDI-AREMUKBSSA-N	0	1	622.168	7.454	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000098047350	554149692	/nfs/dbraw/zinc/14/96/92/554149692.db2.gz	UDQJCYCNAVAISA-HHHXNRCGSA-N	0	1	636.195	7.844	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000098047361	554149993	/nfs/dbraw/zinc/14/99/93/554149993.db2.gz	NANVQFOWFRIHGS-VWLOTQADSA-N	0	1	626.587	8.099	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(OC)c2)cc1	ZINC000098047365	554150034	/nfs/dbraw/zinc/15/00/34/554150034.db2.gz	KODROKCCMSSZDW-SANMLTNESA-N	0	1	622.168	7.454	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(Br)c2)cc1	ZINC000098047367	554150104	/nfs/dbraw/zinc/15/01/04/554150104.db2.gz	XGIKIBVAYGAPHD-VWLOTQADSA-N	0	1	671.038	8.208	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000098047415	554150366	/nfs/dbraw/zinc/15/03/66/554150366.db2.gz	XMNDPRDONUHHRN-YTTGMZPUSA-N	0	1	698.266	9.025	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCCC)cc2)cc1	ZINC000098047475	554151411	/nfs/dbraw/zinc/15/14/11/554151411.db2.gz	BAMNMIUTGUADNP-NDEPHWFRSA-N	0	1	615.777	7.581	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000098047473	554151496	/nfs/dbraw/zinc/15/14/96/554151496.db2.gz	UIMFBEUEECWFMV-NDEPHWFRSA-N	0	1	666.221	7.853	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1	ZINC000098047516	554152174	/nfs/dbraw/zinc/15/21/74/554152174.db2.gz	HDLGPGIEEOEBRT-YTTGMZPUSA-N	0	1	687.884	8.678	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC	ZINC000098047520	554152211	/nfs/dbraw/zinc/15/22/11/554152211.db2.gz	VMDRZXPFPRNLKW-RUZDIDTESA-N	0	1	592.670	5.773	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1	ZINC000098047546	554152636	/nfs/dbraw/zinc/15/26/36/554152636.db2.gz	GKFYYDNANHCUHI-MHZLTWQESA-N	0	1	622.740	6.778	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1	ZINC000098047590	554152970	/nfs/dbraw/zinc/15/29/70/554152970.db2.gz	XDHWVLQDDAYRJA-HKBQPEDESA-N	0	1	708.302	9.023	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1	ZINC000098047576	554153011	/nfs/dbraw/zinc/15/30/11/554153011.db2.gz	ZOLNMYZSHRPYJT-HKBQPEDESA-N	0	1	691.847	8.509	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2cccc(F)c2)cc1	ZINC000098047611	554153521	/nfs/dbraw/zinc/15/35/21/554153521.db2.gz	AUKANFMTPMIJNM-AREMUKBSSA-N	0	1	589.714	7.240	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000098047606	554153664	/nfs/dbraw/zinc/15/36/64/554153664.db2.gz	MWDJRYFFAQMHHY-SANMLTNESA-N	0	1	606.169	7.754	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000098047638	554153880	/nfs/dbraw/zinc/15/38/80/554153880.db2.gz	CHJOYFQTZXOUMI-MHZLTWQESA-N	0	1	619.740	7.330	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000098047642	554153883	/nfs/dbraw/zinc/15/38/83/554153883.db2.gz	OBVZEYXEULFPBA-MHZLTWQESA-N	0	1	652.194	7.463	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000098047656	554154025	/nfs/dbraw/zinc/15/40/25/554154025.db2.gz	JDPCANOYHHVEKA-NDEPHWFRSA-N	0	1	631.776	7.200	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1Cl	ZINC000098047689	554154367	/nfs/dbraw/zinc/15/43/67/554154367.db2.gz	CNRUIVRHCXUUMJ-JOCHJYFZSA-N	0	1	534.827	5.911	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000098047664	554154491	/nfs/dbraw/zinc/15/44/91/554154491.db2.gz	PRLVOKJWSIDADR-MHZLTWQESA-N	0	1	636.195	7.844	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000098047679	554154548	/nfs/dbraw/zinc/15/45/48/554154548.db2.gz	YFZFTJKTDWPEPZ-JGCGQSQUSA-N	0	1	687.884	8.760	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(Br)cc2)cc1F	ZINC000098047707	554154767	/nfs/dbraw/zinc/15/47/67/554154767.db2.gz	PPTBYCPLYOCZSN-AREMUKBSSA-N	0	1	646.563	7.977	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1F	ZINC000098047730	554155521	/nfs/dbraw/zinc/15/55/21/554155521.db2.gz	VPCBQHBXQZNIPZ-LJAQVGFWSA-N	0	1	639.774	8.212	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(O)c2)cc1OC	ZINC000098047779	554155827	/nfs/dbraw/zinc/15/58/27/554155827.db2.gz	JMFNYPQAGNPFCV-HHHXNRCGSA-N	0	1	611.701	6.489	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(Cl)cc2)cc1OC	ZINC000098047777	554155875	/nfs/dbraw/zinc/15/58/75/554155875.db2.gz	HNYMYQXKHCROLR-HHHXNRCGSA-N	0	1	630.147	7.437	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccccc2F)cc1OC	ZINC000098047781	554155887	/nfs/dbraw/zinc/15/58/87/554155887.db2.gz	NRXNXFCGBHZYBH-HHHXNRCGSA-N	0	1	613.692	6.923	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C)cc2)cc1OC	ZINC000098047802	554156364	/nfs/dbraw/zinc/15/63/64/554156364.db2.gz	ZYMSPJCCUCLJJE-NDEPHWFRSA-N	0	1	609.729	7.092	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000098047813	554156380	/nfs/dbraw/zinc/15/63/80/554156380.db2.gz	ZVHASPGPYQWUHF-MUUNZHRXSA-N	0	1	625.728	6.792	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1F	ZINC000098047843	554156612	/nfs/dbraw/zinc/15/66/12/554156612.db2.gz	CSJQJBHMBQWVPP-GDLZYMKVSA-N	0	1	609.748	8.337	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC	ZINC000098047824	554156678	/nfs/dbraw/zinc/15/66/78/554156678.db2.gz	NIAAISUECNGYGC-HKBQPEDESA-N	0	1	669.800	8.402	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C	ZINC000098047821	554156709	/nfs/dbraw/zinc/15/67/09/554156709.db2.gz	JXYNKOWAFQDIDE-JGCGQSQUSA-N	0	1	683.827	8.648	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccnc2)cc1OC	ZINC000098047851	554157006	/nfs/dbraw/zinc/15/70/06/554157006.db2.gz	XVXJSARXOYTFLH-AREMUKBSSA-N	0	1	596.690	6.179	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000098047853	554157020	/nfs/dbraw/zinc/15/70/20/554157020.db2.gz	ZBMQMPFTUOJHGR-HHHXNRCGSA-N	0	1	640.699	6.692	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C	ZINC000098047897	554157327	/nfs/dbraw/zinc/15/73/27/554157327.db2.gz	IQYGSRYXURFISQ-HHHXNRCGSA-N	0	1	625.659	6.373	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000098048932	554162375	/nfs/dbraw/zinc/16/23/75/554162375.db2.gz	DEDPFPCMEVYSII-MUUNZHRXSA-N	0	1	662.818	8.207	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C	ZINC000098050340	554174091	/nfs/dbraw/zinc/17/40/91/554174091.db2.gz	DHSSBTFWRICZOS-OAQYLSRUSA-N	0	1	539.009	5.548	50	30		KKEAMN
Brc1ccc(C=Nc2ccc(-c3nc4ccc(N=Cc5ccc(Br)cc5)cc4[nH]3)cc2)cc1	ZINC000100028482	554184125	/nfs/dbraw/zinc/18/41/25/554184125.db2.gz	FTOFMEFRYAZGJI-FWWKHMOUSA-N	0	1	558.277	8.256	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/c1ccc(Cl)c(Cl)c1	ZINC000100034107	554187692	/nfs/dbraw/zinc/18/76/92/554187692.db2.gz	FRDGPHHJWUYGJP-NGYBGAFCSA-N	0	1	517.919	5.659	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/c1cccc(Cl)c1Cl	ZINC000100038437	554191576	/nfs/dbraw/zinc/19/15/76/554191576.db2.gz	WPHHPNHKMWALOA-NGYBGAFCSA-N	0	1	517.919	5.659	50	30		KKEAMN
COc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000100052660	554194833	/nfs/dbraw/zinc/19/48/33/554194833.db2.gz	BKVJIUUTHQKBGC-PRAQEBQASA-N	0	1	540.019	7.548	50	30		KKEAMN
C[C@@H](NC(=O)CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2s1)c1ccccc1	ZINC000100055829	554196174	/nfs/dbraw/zinc/19/61/74/554196174.db2.gz	UKCCSKIIBFQBES-FTQFDPMJSA-N	0	1	605.377	7.247	50	30		KKEAMN
COc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2ccccc2OC)cc1	ZINC000100143001	554229133	/nfs/dbraw/zinc/22/91/33/554229133.db2.gz	TZQBKHSQDKKAEH-PLTNMMHCSA-N	0	1	535.600	6.903	50	30		KKEAMN
COc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2ccccc2OC)cc1	ZINC000100143007	554229167	/nfs/dbraw/zinc/22/91/67/554229167.db2.gz	TZQBKHSQDKKAEH-PKHCJMHPSA-N	0	1	535.600	6.903	50	30		KKEAMN
CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4C#N)c(Br)c3)C(=O)NC2=S)cc1	ZINC000100156515	554233209	/nfs/dbraw/zinc/23/32/09/554233209.db2.gz	QQVFZSILAPDWID-MAKCPWPFSA-N	0	1	574.500	6.245	50	30		KKEAMN
C=CCc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000100236192	554258312	/nfs/dbraw/zinc/25/83/12/554258312.db2.gz	VCORPANLMWFSQG-IWIPYMOSSA-N	0	1	561.591	5.271	50	30		KKEAMN
N#Cc1c(=O)[nH]c(-c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc43)cc2)cc1-c1ccc(Br)cc1	ZINC000100249585	554261935	/nfs/dbraw/zinc/26/19/35/554261935.db2.gz	JDOMJGDOYZZNOV-UHFFFAOYSA-N	0	1	561.361	7.654	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000049918055	554327138	/nfs/dbraw/zinc/32/71/38/554327138.db2.gz	SXKFJWGUZMQKMG-NLGDKJDOSA-N	0	1	546.598	6.827	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000053253943	554330242	/nfs/dbraw/zinc/33/02/42/554330242.db2.gz	WJGKQJPFFPNBJA-QFIPXVFZSA-N	0	1	578.599	5.183	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000053253940	554330443	/nfs/dbraw/zinc/33/04/43/554330443.db2.gz	YZYKCKKKJRAPFR-JOCHJYFZSA-N	0	1	548.573	5.175	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Br)cc2)cc1Cl	ZINC000053291400	554331452	/nfs/dbraw/zinc/33/14/52/554331452.db2.gz	AIPXUBAULLWUKN-QFIPXVFZSA-N	0	1	544.833	5.366	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1	ZINC000053290831	554331568	/nfs/dbraw/zinc/33/15/68/554331568.db2.gz	ZZCXLASIVRQLDJ-MQNRADLISA-N	0	1	530.577	5.940	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	ZINC000053306113	554333166	/nfs/dbraw/zinc/33/31/66/554333166.db2.gz	SADYBWCGIPEMIQ-AREMUKBSSA-N	0	1	539.459	6.021	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	ZINC000053306113	554333169	/nfs/dbraw/zinc/33/31/69/554333169.db2.gz	SADYBWCGIPEMIQ-AREMUKBSSA-N	0	1	539.459	6.021	50	30		KKEAMN
CCCOc1ccccc1[C@H]1C2=C(C[C@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)C(F)(F)F	ZINC000053305924	554333217	/nfs/dbraw/zinc/33/32/17/554333217.db2.gz	ZBTVEZAYTNGJOI-WRONEBCDSA-N	0	1	550.577	6.947	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000053306188	554333546	/nfs/dbraw/zinc/33/35/46/554333546.db2.gz	NMOBWLRIYNJCSL-HSZRJFAPSA-N	0	1	565.445	6.249	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000053306736	554334340	/nfs/dbraw/zinc/33/43/40/554334340.db2.gz	PVDVYESUWYMKMP-FQEVSTJZSA-N	0	1	571.449	5.491	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)ccc1OCC(C)C	ZINC000053306825	554334488	/nfs/dbraw/zinc/33/44/88/554334488.db2.gz	CIDGPUWJDRFGAF-RUZDIDTESA-N	0	1	535.438	5.966	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000053319111	554335913	/nfs/dbraw/zinc/33/59/13/554335913.db2.gz	DIXSSDSCIGFTNR-OAQYLSRUSA-N	0	1	573.454	6.201	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000053319103	554335920	/nfs/dbraw/zinc/33/59/20/554335920.db2.gz	BDXQRTMYAOTZAV-QHCPKHFHSA-N	0	1	565.445	6.249	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000053319166	554336321	/nfs/dbraw/zinc/33/63/21/554336321.db2.gz	WCIAQGJKICSORI-OAQYLSRUSA-N	0	1	539.382	5.989	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc(Br)c1)c1ccc(F)cc1	ZINC000053319322	554337197	/nfs/dbraw/zinc/33/71/97/554337197.db2.gz	GDUCWYFSNMPEPK-HXUWFJFHSA-N	0	1	527.346	6.120	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Br)c1	ZINC000053319287	554337297	/nfs/dbraw/zinc/33/72/97/554337297.db2.gz	ASYQBHJKAWLTGO-VWLOTQADSA-N	0	1	535.438	5.966	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Br)c2)ccc1OCc1ccccc1	ZINC000053319398	554337669	/nfs/dbraw/zinc/33/76/69/554337669.db2.gz	BSZNIECWIAQEGG-SANMLTNESA-N	0	1	549.465	5.476	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Br)c2)ccc1OCc1ccccc1	ZINC000053319398	554337671	/nfs/dbraw/zinc/33/76/71/554337671.db2.gz	BSZNIECWIAQEGG-SANMLTNESA-N	0	1	549.465	5.476	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4C)cc3)[C@H]2c2cccc(Cl)c2)s1	ZINC000053319416	554337957	/nfs/dbraw/zinc/33/79/57/554337957.db2.gz	UCJDMNGQYMTCJU-XMMPIXPASA-N	0	1	532.021	6.170	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccc(Cl)cc1Cl	ZINC000053319430	554337981	/nfs/dbraw/zinc/33/79/81/554337981.db2.gz	FCQMRHTYXCHRAB-OHWKKVTOSA-N	0	1	589.607	9.772	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2c2nnc(C)s2)c1	ZINC000053319486	554338352	/nfs/dbraw/zinc/33/83/52/554338352.db2.gz	UQLBIMUIWPGYPC-RUZDIDTESA-N	0	1	527.602	5.525	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000053331853	554338613	/nfs/dbraw/zinc/33/86/13/554338613.db2.gz	PBCWJEKPUDEECZ-LJQANCHMSA-N	0	1	557.422	5.101	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000053334848	554340066	/nfs/dbraw/zinc/34/00/66/554340066.db2.gz	RBUXLOJJJWVURK-QHCPKHFHSA-N	0	1	565.445	6.167	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000053335811	554341487	/nfs/dbraw/zinc/34/14/87/554341487.db2.gz	XMKXQFOJCBBJPM-DEOSSOPVSA-N	0	1	559.556	5.157	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(Cl)cc2Cl)no1	ZINC000053337294	554342113	/nfs/dbraw/zinc/34/21/13/554342113.db2.gz	VJYIEZPXDWIQCA-HXUWFJFHSA-N	0	1	550.236	6.824	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000053337335	554342159	/nfs/dbraw/zinc/34/21/59/554342159.db2.gz	ZRAXQZDUBVCINB-HHHXNRCGSA-N	0	1	591.085	6.929	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@H]1c1cccc(Br)c1	ZINC000053337710	554342497	/nfs/dbraw/zinc/34/24/97/554342497.db2.gz	TWUNGQXFURUYFL-GPNASLBKSA-N	0	1	557.532	8.238	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000053338371	554342715	/nfs/dbraw/zinc/34/27/15/554342715.db2.gz	JKHULBWXFFZRSE-NRFANRHFSA-N	0	1	552.992	5.002	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(OCc2ccccc2)c1	ZINC000053339304	554343609	/nfs/dbraw/zinc/34/36/09/554343609.db2.gz	WDGQJTVQAIEWKO-HKBQPEDESA-N	0	1	547.607	5.858	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000053340280	554344309	/nfs/dbraw/zinc/34/43/09/554344309.db2.gz	MIDOXYGFHLEFGM-JOCHJYFZSA-N	0	1	539.396	6.157	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000053359635	554345269	/nfs/dbraw/zinc/34/52/69/554345269.db2.gz	IBKWWBSFNCQSPU-NRUKRWIHSA-N	0	1	540.635	7.093	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc([N+](=O)[O-])c1O	ZINC000059595957	554408645	/nfs/dbraw/zinc/40/86/45/554408645.db2.gz	QTJIQAZNCSNGEQ-QYBDOPJKSA-N	0	1	530.533	5.007	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc([N+](=O)[O-])c1O	ZINC000059595964	554408621	/nfs/dbraw/zinc/40/86/21/554408621.db2.gz	QTJIQAZNCSNGEQ-DWXRJYCRSA-N	0	1	530.533	5.007	50	30		KKEAMN
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)ccc2OC)C3)cc([N+](=O)[O-])c1O	ZINC000059626435	554414869	/nfs/dbraw/zinc/41/48/69/554414869.db2.gz	CEKMQVFCXGHDIJ-DEXQXJORSA-N	0	1	531.565	5.696	50	30		KKEAMN
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)ccc2OC)C3)cc([N+](=O)[O-])c1O	ZINC000059626449	554414915	/nfs/dbraw/zinc/41/49/15/554414915.db2.gz	CEKMQVFCXGHDIJ-HJWYETAXSA-N	0	1	531.565	5.696	50	30		KKEAMN
CCN(CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1	ZINC000100668538	554440490	/nfs/dbraw/zinc/44/04/90/554440490.db2.gz	YYVLATHVNYNJOY-JCVFDAPQSA-N	0	1	559.685	7.886	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccc(C)cc4)cc3)C(=O)C(=O)N2CCCOC)cc1	ZINC000100674630	554442848	/nfs/dbraw/zinc/44/28/48/554442848.db2.gz	PINMMARQMWYBBO-PMERELPUSA-N	0	1	543.660	6.368	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccc(OC)c2)cc1	ZINC000100675309	554443725	/nfs/dbraw/zinc/44/37/25/554443725.db2.gz	GQABLEPHWICNLH-RUZDIDTESA-N	0	1	578.687	6.235	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccnc2)cc1	ZINC000100675301	554443737	/nfs/dbraw/zinc/44/37/37/554443737.db2.gz	INMBTTKBVDBUSQ-QHCPKHFHSA-N	0	1	549.649	5.621	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000100677217	554444229	/nfs/dbraw/zinc/44/42/29/554444229.db2.gz	KNLQZTPNQHSPAT-SFHVURJKSA-N	0	1	545.386	5.231	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000100677185	554444291	/nfs/dbraw/zinc/44/42/91/554444291.db2.gz	LOODHLIENQRIPE-HSZRJFAPSA-N	0	1	566.607	5.432	50	30		KKEAMN
CCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC	ZINC000100677708	554444720	/nfs/dbraw/zinc/44/47/20/554444720.db2.gz	XHADWXOAZSAOOK-VWLOTQADSA-N	0	1	596.677	6.436	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC	ZINC000100677770	554445082	/nfs/dbraw/zinc/44/50/82/554445082.db2.gz	HPGVKSGTQRDQIH-HHHXNRCGSA-N	0	1	622.740	6.778	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC	ZINC000100678912	554445249	/nfs/dbraw/zinc/44/52/49/554445249.db2.gz	DGOZZONNNNBVAX-QFIPXVFZSA-N	0	1	552.580	5.042	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000100679374	554445266	/nfs/dbraw/zinc/44/52/66/554445266.db2.gz	FJUVDQTVLAARHY-JOCHJYFZSA-N	0	1	599.503	6.353	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCCC)c(OC)c2)nc1C	ZINC000100680265	554445956	/nfs/dbraw/zinc/44/59/56/554445956.db2.gz	HPHDYTUGASZSDQ-MUUNZHRXSA-N	0	1	634.751	6.944	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000100681104	554447230	/nfs/dbraw/zinc/44/72/30/554447230.db2.gz	UTYNMPUDOPFQRZ-HHHXNRCGSA-N	0	1	598.677	6.992	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1OC	ZINC000100681175	554447596	/nfs/dbraw/zinc/44/75/96/554447596.db2.gz	ONQGCYXYUYTZLE-VAVYLYDRSA-N	0	1	551.680	6.200	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(Cl)cc2)c(C)c1	ZINC000100736806	554461171	/nfs/dbraw/zinc/46/11/71/554461171.db2.gz	CDIYQVLWRRSKEX-JOCHJYFZSA-N	0	1	555.052	6.162	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Cl)c2)c(C)c1	ZINC000100736811	554461296	/nfs/dbraw/zinc/46/12/96/554461296.db2.gz	ONXRNDKJBBSVJI-JOCHJYFZSA-N	0	1	555.052	6.162	50	30		KKEAMN
CCCc1cc(N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)n2c3ccccc3nc2c1C#N	ZINC000061932204	554505989	/nfs/dbraw/zinc/50/59/89/554505989.db2.gz	FIBRCVZVXXFOHL-UHFFFAOYSA-N	0	1	529.688	6.240	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc(Br)cc1	ZINC000101062648	554570652	/nfs/dbraw/zinc/57/06/52/554570652.db2.gz	AAIBVDHFKMEHPP-MOBKVPTQSA-N	0	1	533.403	6.324	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc(Br)c1)c1ccc(Br)cc1	ZINC000101062639	554570663	/nfs/dbraw/zinc/57/06/63/554570663.db2.gz	BYRHBTWSPKHJIC-UYTDBDHRSA-N	0	1	520.202	5.294	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000101069846	554574309	/nfs/dbraw/zinc/57/43/09/554574309.db2.gz	FOYREWVESLLDKG-NHFXJNLRSA-N	0	1	558.182	5.746	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H]1c1ccccc1F)c1ccccc1	ZINC000101095607	554584670	/nfs/dbraw/zinc/58/46/70/554584670.db2.gz	DEBLTMZBYLFYNN-YDJIHCHBSA-N	0	1	509.356	5.824	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)o1	ZINC000101100228	554587124	/nfs/dbraw/zinc/58/71/24/554587124.db2.gz	KZFIELPOPURQBO-LFVOPCPISA-N	0	1	513.344	5.726	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000101277260	554703522	/nfs/dbraw/zinc/70/35/22/554703522.db2.gz	QNTISAPCPDVSGC-JBCNATCCSA-N	0	1	573.454	6.044	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000101277581	554704018	/nfs/dbraw/zinc/70/40/18/554704018.db2.gz	IJXORONBYHLPQB-MRJHHRETSA-N	0	1	583.460	5.500	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Br)c2)nc1C	ZINC000101278204	554704806	/nfs/dbraw/zinc/70/48/06/554704806.db2.gz	HFJKDMCTYSDKKG-JBCNATCCSA-N	0	1	583.460	5.500	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000101278267	554704876	/nfs/dbraw/zinc/70/48/76/554704876.db2.gz	LYCUUFSXCMGENA-UUALVTFQSA-N	0	1	625.659	6.216	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000101310202	554717109	/nfs/dbraw/zinc/71/71/09/554717109.db2.gz	VGWOQQFMNLPLFT-RWMNMRIUSA-N	0	1	539.628	5.638	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCC(=O)c4ccccc4)s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000101337932	554734498	/nfs/dbraw/zinc/73/44/98/554734498.db2.gz	UHAWFSTZUVECJM-QHCPKHFHSA-N	0	1	578.071	5.958	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F	ZINC000101344372	554736673	/nfs/dbraw/zinc/73/66/73/554736673.db2.gz	YGYWGDHMQINBPQ-AREMUKBSSA-N	0	1	612.664	7.122	50	30		KKEAMN
N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@H](c1ccc(Cl)cc1)N1CCCCC1	ZINC000101360201	554742041	/nfs/dbraw/zinc/74/20/41/554742041.db2.gz	HVVZVOAOZLBZFV-MUUNZHRXSA-N	0	1	547.486	7.738	50	30		KKEAMN
C=C(C)COc1cc2oc(=O)c(CC(=O)N3CCc4nc[nH]c4[C@H]3c3ccc(OC)cc3)c(C)c2cc1Cl	ZINC000101475555	554781928	/nfs/dbraw/zinc/78/19/28/554781928.db2.gz	GSANUCDVPCCTHV-MUUNZHRXSA-N	0	1	534.012	5.158	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000101975103	554862888	/nfs/dbraw/zinc/86/28/88/554862888.db2.gz	QZUXAACEWRERPR-SANMLTNESA-N	0	1	613.648	6.207	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000102076775	554875161	/nfs/dbraw/zinc/87/51/61/554875161.db2.gz	PZUCUSUHDQSCFK-CZNAVJSXSA-N	0	1	503.551	5.098	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C	ZINC000102076812	554875178	/nfs/dbraw/zinc/87/51/78/554875178.db2.gz	RZOFFHVNBCATOK-IUKMQXEJSA-N	0	1	562.644	5.477	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nnc(C)s2)ccc1O	ZINC000102175794	554892260	/nfs/dbraw/zinc/89/22/60/554892260.db2.gz	JYZJLSJPXURMPI-RUZDIDTESA-N	0	1	543.601	5.231	50	30		KKEAMN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4cc(Br)cc(Br)c4O)c3c2C1	ZINC000102304480	554908906	/nfs/dbraw/zinc/90/89/06/554908906.db2.gz	AGSYYQMKPICIEZ-JKJOSHCESA-N	0	1	552.336	6.909	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000102483287	554937685	/nfs/dbraw/zinc/93/76/85/554937685.db2.gz	NQPQSYRUCWQEEP-NHFXJNLRSA-N	0	1	502.832	5.893	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102484095	554937860	/nfs/dbraw/zinc/93/78/60/554937860.db2.gz	UPONJHGEEXOERW-MOBKVPTQSA-N	0	1	508.958	6.114	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102484698	554937957	/nfs/dbraw/zinc/93/79/57/554937957.db2.gz	IICPQWDKFWIODD-WOOAAIBNSA-N	0	1	511.353	5.287	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000102487739	554938585	/nfs/dbraw/zinc/93/85/85/554938585.db2.gz	KHNVMRSRJPXUCT-IUKMQXEJSA-N	0	1	501.539	5.099	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc(Br)c1	ZINC000102487042	554938623	/nfs/dbraw/zinc/93/86/23/554938623.db2.gz	PDIZRAINWNRUFT-CZNAVJSXSA-N	0	1	549.465	5.320	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102490390	554939146	/nfs/dbraw/zinc/93/91/46/554939146.db2.gz	IFSVEJQOOGPGNA-MOBKVPTQSA-N	0	1	501.520	5.230	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1	ZINC000102502500	554943661	/nfs/dbraw/zinc/94/36/61/554943661.db2.gz	BLOZCFPKXTZERA-AYWGPLOBSA-N	0	1	504.539	5.469	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)c(OC)c1	ZINC000102502656	554943752	/nfs/dbraw/zinc/94/37/52/554943752.db2.gz	BEMHMNKFXPRXLU-MOBKVPTQSA-N	0	1	541.398	5.378	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102506280	554944649	/nfs/dbraw/zinc/94/46/49/554944649.db2.gz	SVUVZNLURIASHK-JBCNATCCSA-N	0	1	555.837	6.347	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000102510635	554946097	/nfs/dbraw/zinc/94/60/97/554946097.db2.gz	YOZZKGMWHOQZDY-VEZPTTSMSA-N	0	1	550.611	5.608	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000102511386	554946294	/nfs/dbraw/zinc/94/62/94/554946294.db2.gz	DGSMMBFXUXDZHG-MRJHHRETSA-N	0	1	520.588	5.169	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102515566	554947931	/nfs/dbraw/zinc/94/79/31/554947931.db2.gz	GOOCINJRHRLROQ-AYWGPLOBSA-N	0	1	520.994	5.983	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000102520403	554949360	/nfs/dbraw/zinc/94/93/60/554949360.db2.gz	GRMNGARPKSKEOI-AYWGPLOBSA-N	0	1	549.004	5.761	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102520616	554949560	/nfs/dbraw/zinc/94/95/60/554949560.db2.gz	WVYJHNJDLOUMPO-JBCNATCCSA-N	0	1	539.382	5.833	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102520648	554949633	/nfs/dbraw/zinc/94/96/33/554949633.db2.gz	KMZXHCQTRVZDBW-HOGKFDNTSA-N	0	1	502.523	5.157	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1	ZINC000102521244	554949657	/nfs/dbraw/zinc/94/96/57/554949657.db2.gz	CMBMYBJONFESQO-HOGKFDNTSA-N	0	1	536.993	5.602	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1	ZINC000102521252	554949724	/nfs/dbraw/zinc/94/97/24/554949724.db2.gz	CMBMYBJONFESQO-MOBKVPTQSA-N	0	1	536.993	5.602	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102524260	554950946	/nfs/dbraw/zinc/95/09/46/554950946.db2.gz	WSCNTAAMCPGBGI-YDJIHCHBSA-N	0	1	541.448	6.145	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000102526414	554952192	/nfs/dbraw/zinc/95/21/92/554952192.db2.gz	XGQYZFAVKRWBME-LFVOPCPISA-N	0	1	547.416	5.488	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000102533311	554954745	/nfs/dbraw/zinc/95/47/45/554954745.db2.gz	JDRZLKXUOYTRIY-ZORLYMSLSA-N	0	1	628.648	9.066	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1	ZINC000102538910	554956535	/nfs/dbraw/zinc/95/65/35/554956535.db2.gz	JTUARUKFNABEPC-SZYGQJGOSA-N	0	1	562.666	6.350	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102542573	554957884	/nfs/dbraw/zinc/95/78/84/554957884.db2.gz	NGYUFHBJZIYKQB-HOGKFDNTSA-N	0	1	535.419	6.084	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000102549327	554960762	/nfs/dbraw/zinc/96/07/62/554960762.db2.gz	IABWBCMZBFEZJH-YJMWBXFMSA-N	0	1	627.788	7.267	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102549593	554961084	/nfs/dbraw/zinc/96/10/84/554961084.db2.gz	CCORQXNYEIIRKI-AYWGPLOBSA-N	0	1	553.423	6.309	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000102551308	554961978	/nfs/dbraw/zinc/96/19/78/554961978.db2.gz	HXITWGGWJGFFJI-VEZPTTSMSA-N	0	1	533.580	5.915	50	30		KKEAMN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000102552978	554962835	/nfs/dbraw/zinc/96/28/35/554962835.db2.gz	SRMCSQULUMKDJZ-HOGKFDNTSA-N	0	1	551.349	5.160	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1	ZINC000102552636	554962853	/nfs/dbraw/zinc/96/28/53/554962853.db2.gz	FCVZALRKEHZLCE-CZNAVJSXSA-N	0	1	514.509	5.336	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102555205	554964054	/nfs/dbraw/zinc/96/40/54/554964054.db2.gz	ZICULTWBAQBLQG-DFXXOVSGSA-N	0	1	529.589	5.267	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(F)cc2)nc1C	ZINC000102555371	554964088	/nfs/dbraw/zinc/96/40/88/554964088.db2.gz	PSTWANZAFPUTRX-CJJGVWJISA-N	0	1	586.641	6.281	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000102556490	554964718	/nfs/dbraw/zinc/96/47/18/554964718.db2.gz	WJGUDYMYWIQUFG-MIOXIQPJSA-N	0	1	543.616	5.310	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2	ZINC000102556595	554964748	/nfs/dbraw/zinc/96/47/48/554964748.db2.gz	BVMMYNSCTIIXLV-HOGKFDNTSA-N	0	1	539.396	6.001	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2	ZINC000102556603	554964955	/nfs/dbraw/zinc/96/49/55/554964955.db2.gz	BVMMYNSCTIIXLV-MOBKVPTQSA-N	0	1	539.396	6.001	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC	ZINC000102558597	554965835	/nfs/dbraw/zinc/96/58/35/554965835.db2.gz	QHEKTAGIIFEHHU-WGGXKBPPSA-N	0	1	616.692	6.280	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000102558380	554965907	/nfs/dbraw/zinc/96/59/07/554965907.db2.gz	AFCBXSBZWIIEOU-FECHNCLXSA-N	0	1	520.969	6.039	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000102559153	554966563	/nfs/dbraw/zinc/96/65/63/554966563.db2.gz	WKVNYRAWKOVRQD-FCLPXNLHSA-N	0	1	549.627	5.298	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000102559851	554967250	/nfs/dbraw/zinc/96/72/50/554967250.db2.gz	ITVQGEYQNUMPBG-BFLOGMOSSA-N	0	1	585.707	6.097	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)ccc1OCCC(C)C	ZINC000102564749	554969767	/nfs/dbraw/zinc/96/97/67/554969767.db2.gz	BZSFQZUWEQNIGH-YFVVEFNMSA-N	0	1	537.653	5.292	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1	ZINC000102573062	554971254	/nfs/dbraw/zinc/97/12/54/554971254.db2.gz	SSFBZCKGYRYUKV-ZORLYMSLSA-N	0	1	533.753	8.598	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000102581540	554972538	/nfs/dbraw/zinc/97/25/38/554972538.db2.gz	HIIWMOVEWZBIAO-FSDXSRJSSA-N	0	1	589.670	5.928	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000102592494	554974254	/nfs/dbraw/zinc/97/42/54/554974254.db2.gz	UUTAFOWEYWXXED-CJJGVWJISA-N	0	1	601.706	5.935	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102600587	554977625	/nfs/dbraw/zinc/97/76/25/554977625.db2.gz	TYYVOUWXXDTTBI-DFXXOVSGSA-N	0	1	629.760	6.797	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1	ZINC000102601676	554977969	/nfs/dbraw/zinc/97/79/69/554977969.db2.gz	SBDFHBPLNOGZTP-WGGXKBPPSA-N	0	1	626.687	6.029	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000102602808	554978155	/nfs/dbraw/zinc/97/81/55/554978155.db2.gz	PMEKKOHHBFCNGD-DFXXOVSGSA-N	0	1	623.712	6.390	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1OC	ZINC000102607083	554979820	/nfs/dbraw/zinc/97/98/20/554979820.db2.gz	SZXZGOZNSLRECO-CJJGVWJISA-N	0	1	542.613	5.674	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000102617546	554984857	/nfs/dbraw/zinc/98/48/57/554984857.db2.gz	SGRFFHXBPPMVAC-ZHHPLPSFSA-N	0	1	579.606	5.506	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000102620297	554986572	/nfs/dbraw/zinc/98/65/72/554986572.db2.gz	FAZSKDWBEDZTMD-NXLSWJSLSA-N	0	1	619.652	5.154	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1	ZINC000102652057	554996529	/nfs/dbraw/zinc/99/65/29/554996529.db2.gz	ABRLQZFVXMEBCH-XLNMUAQOSA-N	0	1	565.420	6.148	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C	ZINC000102652211	554996556	/nfs/dbraw/zinc/99/65/56/554996556.db2.gz	GHDQPNUKBRKSTN-YJMWBXFMSA-N	0	1	559.663	5.152	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCCCC)c2)nc1C	ZINC000102652700	554996884	/nfs/dbraw/zinc/99/68/84/554996884.db2.gz	NDLPCZAVICQZPR-CJJGVWJISA-N	0	1	604.681	5.761	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000102654017	554997365	/nfs/dbraw/zinc/99/73/65/554997365.db2.gz	MDRHBJYEDPEMCW-DFXXOVSGSA-N	0	1	544.604	5.052	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1	ZINC000102654612	554997794	/nfs/dbraw/zinc/99/77/94/554997794.db2.gz	GKFCYGSISOMEGX-OFNYXUPYSA-N	0	1	569.639	5.384	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102671209	555002629	/nfs/dbraw/zinc/00/26/29/555002629.db2.gz	IGHWROWUBAYKIH-HALAOQOWSA-N	0	1	594.089	6.573	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(O)c3)ccc2O1	ZINC000102673380	555003067	/nfs/dbraw/zinc/00/30/67/555003067.db2.gz	IHAFYXDHGXPMTC-BBHOXHGRSA-N	0	1	592.098	6.139	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O	ZINC000102681682	555005807	/nfs/dbraw/zinc/00/58/07/555005807.db2.gz	KADWAWDAJPMILK-NSUOQXISSA-N	0	1	611.445	5.862	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000102696150	555011180	/nfs/dbraw/zinc/01/11/80/555011180.db2.gz	KULKPSJHOUBNRM-ZHHPLPSFSA-N	0	1	516.550	5.411	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000102697102	555011916	/nfs/dbraw/zinc/01/19/16/555011916.db2.gz	VPEASKNJDVJONF-MIOXIQPJSA-N	0	1	520.585	5.600	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102697126	555011934	/nfs/dbraw/zinc/01/19/34/555011934.db2.gz	VDCRYPIRFCOPKV-WGGXKBPPSA-N	0	1	528.649	5.346	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000102699294	555012435	/nfs/dbraw/zinc/01/24/35/555012435.db2.gz	MCRPZUYMIDHYMF-AYWGPLOBSA-N	0	1	534.590	5.412	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000102700148	555012689	/nfs/dbraw/zinc/01/26/89/555012689.db2.gz	MQJCMPFZYBETQB-MOBKVPTQSA-N	0	1	502.548	5.173	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102701784	555013170	/nfs/dbraw/zinc/01/31/70/555013170.db2.gz	GJIUGFBHMRLOCA-NHFXJNLRSA-N	0	1	525.449	6.309	50	30		KKEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000102711411	555016808	/nfs/dbraw/zinc/01/68/08/555016808.db2.gz	JXCNNASPTPAWFU-DFXXOVSGSA-N	0	1	513.634	5.940	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccco2)ccc1O	ZINC000102714875	555018305	/nfs/dbraw/zinc/01/83/05/555018305.db2.gz	UUQAENMSCDURPP-WGGXKBPPSA-N	0	1	539.584	5.893	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102719868	555019913	/nfs/dbraw/zinc/01/99/13/555019913.db2.gz	RXTFSBGPLYOTFJ-HOGKFDNTSA-N	0	1	503.511	5.532	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(Cl)c(Cl)c3)cc2)c1	ZINC000102726085	555021883	/nfs/dbraw/zinc/02/18/83/555021883.db2.gz	CPGGMHKAOPLPJH-CJJGVWJISA-N	0	1	539.459	5.864	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000102735332	555025347	/nfs/dbraw/zinc/02/53/47/555025347.db2.gz	KJZXUQOPYIAIMO-GSYBUTJLSA-N	0	1	517.581	6.424	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102736963	555026500	/nfs/dbraw/zinc/02/65/00/555026500.db2.gz	TWAIIZIRKRLBJO-FSISNWKMSA-N	0	1	543.557	5.163	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1	ZINC000102770826	555058173	/nfs/dbraw/zinc/05/81/73/555058173.db2.gz	WCUOGRPSJCNIPT-YMCWBSDSSA-N	0	1	581.875	6.662	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1	ZINC000102771067	555059466	/nfs/dbraw/zinc/05/94/66/555059466.db2.gz	PVQYELIFUBRXEV-YMCWBSDSSA-N	0	1	520.969	6.039	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102771286	555059986	/nfs/dbraw/zinc/05/99/86/555059986.db2.gz	UHFASTFAGTWKTI-XLNMUAQOSA-N	0	1	520.969	6.039	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102771281	555060038	/nfs/dbraw/zinc/06/00/38/555060038.db2.gz	UHFASTFAGTWKTI-FECHNCLXSA-N	0	1	520.969	6.039	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000102771462	555060346	/nfs/dbraw/zinc/06/03/46/555060346.db2.gz	OMHTWCZUVRDPNT-RPUIFAKWSA-N	0	1	559.644	5.919	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000102797480	555071909	/nfs/dbraw/zinc/07/19/09/555071909.db2.gz	SGRRZUOUMGEQOO-ONQGDUAMSA-N	0	1	509.562	5.196	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1	ZINC000102857214	555088481	/nfs/dbraw/zinc/08/84/81/555088481.db2.gz	QNGGJZCPXLKLLQ-SZYGQJGOSA-N	0	1	546.796	8.656	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000102859100	555089408	/nfs/dbraw/zinc/08/94/08/555089408.db2.gz	PHFJMSAJOWHHNS-WENCHWOGSA-N	0	1	541.644	5.862	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000102864382	555093901	/nfs/dbraw/zinc/09/39/01/555093901.db2.gz	HRTORXYUFLOANO-HOGKFDNTSA-N	0	1	551.418	5.702	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000102864751	555094652	/nfs/dbraw/zinc/09/46/52/555094652.db2.gz	UNLDCJSWLSDBCW-NXLSWJSLSA-N	0	1	551.020	5.992	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000102866594	555096021	/nfs/dbraw/zinc/09/60/21/555096021.db2.gz	ISWAJVXYKNACPZ-ZORLYMSLSA-N	0	1	570.686	5.117	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000102867226	555096757	/nfs/dbraw/zinc/09/67/57/555096757.db2.gz	XKXBMVGUPGWXFC-ONQGDUAMSA-N	0	1	533.577	5.250	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1	ZINC000102868263	555097975	/nfs/dbraw/zinc/09/79/75/555097975.db2.gz	UKEWEEPYOUHBLJ-QMMFTLRZSA-N	0	1	582.623	9.352	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000102869400	555098755	/nfs/dbraw/zinc/09/87/55/555098755.db2.gz	AWBUWVVWWYFYNX-WGGXKBPPSA-N	0	1	527.617	5.691	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102869682	555099396	/nfs/dbraw/zinc/09/93/96/555099396.db2.gz	WKBVHZAVEIJZDT-KNZGKXHUSA-N	0	1	577.456	6.017	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000102872745	555103194	/nfs/dbraw/zinc/10/31/94/555103194.db2.gz	CGKLBWYMUDFPHU-GHNGSUTGSA-N	0	1	500.935	5.047	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102873797	555104026	/nfs/dbraw/zinc/10/40/26/555104026.db2.gz	ADSHLROOOJUMMC-LFVOPCPISA-N	0	1	517.415	6.300	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1	ZINC000102874121	555104351	/nfs/dbraw/zinc/10/43/51/555104351.db2.gz	ZOISXTQBGQWXPS-ZORLYMSLSA-N	0	1	517.754	8.898	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102875364	555105243	/nfs/dbraw/zinc/10/52/43/555105243.db2.gz	VKDUISRDTYVNED-CJJGVWJISA-N	0	1	603.678	5.942	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000102879032	555108133	/nfs/dbraw/zinc/10/81/33/555108133.db2.gz	YADCUVYPBSLMSZ-MOBKVPTQSA-N	0	1	552.630	5.409	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1	ZINC000102879082	555108137	/nfs/dbraw/zinc/10/81/37/555108137.db2.gz	AUDKGVBSVVTTQP-WGGXKBPPSA-N	0	1	561.078	5.371	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102881580	555110159	/nfs/dbraw/zinc/11/01/59/555110159.db2.gz	KOGSMSYPLVBQQU-SBXHHDGASA-N	0	1	534.565	5.478	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000102882752	555111047	/nfs/dbraw/zinc/11/10/47/555111047.db2.gz	WCEUNLIJGMGECK-HOGKFDNTSA-N	0	1	508.958	6.114	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1	ZINC000102883331	555111702	/nfs/dbraw/zinc/11/17/02/555111702.db2.gz	MXBJBVVZHLTTRH-MIOXIQPJSA-N	0	1	526.677	5.855	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Br)cc3s2)[C@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000102884143	555112808	/nfs/dbraw/zinc/11/28/08/555112808.db2.gz	VFOLQLCHSYQTJW-NHFXJNLRSA-N	0	1	525.811	6.339	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCCC)c2)nc1C	ZINC000102884511	555113492	/nfs/dbraw/zinc/11/34/92/555113492.db2.gz	PTNPNBJDGREFGC-NPJIAGGLSA-N	0	1	590.654	5.371	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000102884532	555113794	/nfs/dbraw/zinc/11/37/94/555113794.db2.gz	WZDSJZYFPBNZRD-CGOGNACUSA-N	0	1	539.009	5.231	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccs2)s1	ZINC000102884620	555113811	/nfs/dbraw/zinc/11/38/11/555113811.db2.gz	VYJGSBGMONSYPA-MOBKVPTQSA-N	0	1	503.605	5.422	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102884847	555114885	/nfs/dbraw/zinc/11/48/85/555114885.db2.gz	DPMWTKALXRFBKJ-AYWGPLOBSA-N	0	1	565.445	6.011	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OCc2ccccc2)c1	ZINC000102885552	555115685	/nfs/dbraw/zinc/11/56/85/555115685.db2.gz	NSYMHDCOSXHFKB-LODGOHBISA-N	0	1	513.590	5.047	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102886065	555116402	/nfs/dbraw/zinc/11/64/02/555116402.db2.gz	LRAVKVKLASRJQM-JFTLGNCFSA-N	0	1	591.483	6.407	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000102886331	555116619	/nfs/dbraw/zinc/11/66/19/555116619.db2.gz	SNPXSSCYTVELPD-UUALVTFQSA-N	0	1	591.085	6.916	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000102886507	555116905	/nfs/dbraw/zinc/11/69/05/555116905.db2.gz	ZQXUWSYQDGMJKD-GMBUILNLSA-N	0	1	561.015	5.686	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000102886514	555116962	/nfs/dbraw/zinc/11/69/62/555116962.db2.gz	BAWGBKVCHDAURN-SBXHHDGASA-N	0	1	549.004	5.746	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000102886516	555116973	/nfs/dbraw/zinc/11/69/73/555116973.db2.gz	BAWGBKVCHDAURN-NXLSWJSLSA-N	0	1	549.004	5.746	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000102887358	555119278	/nfs/dbraw/zinc/11/92/78/555119278.db2.gz	MXSGMNPGGXBBAC-DZTJFIFISA-N	0	1	629.760	6.578	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000102888404	555121429	/nfs/dbraw/zinc/12/14/29/555121429.db2.gz	XRNRSNMWIIYLNP-QMDVFYPZSA-N	0	1	621.740	6.942	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000102890151	555125063	/nfs/dbraw/zinc/12/50/63/555125063.db2.gz	LXCJCFJVPZIMSY-WGGXKBPPSA-N	0	1	519.553	5.872	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102890203	555125329	/nfs/dbraw/zinc/12/53/29/555125329.db2.gz	FSTCOWDZGYXJGX-HOGKFDNTSA-N	0	1	553.865	6.901	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000102891198	555126909	/nfs/dbraw/zinc/12/69/09/555126909.db2.gz	HCGBABHEXWJFNQ-WBMUNJTESA-N	0	1	606.125	6.442	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000102891995	555128110	/nfs/dbraw/zinc/12/81/10/555128110.db2.gz	IVCUMHFCTVAFEW-GMBUILNLSA-N	0	1	533.005	5.908	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(OCc2ccccc2)c1	ZINC000102892262	555128410	/nfs/dbraw/zinc/12/84/10/555128410.db2.gz	GSKKMTYYJKFOOP-QMMFTLRZSA-N	0	1	533.580	5.659	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000102893348	555130839	/nfs/dbraw/zinc/13/08/39/555130839.db2.gz	KDZFHYFJGVVDAV-QJGFIUGVSA-N	0	1	542.632	5.605	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000102893600	555131066	/nfs/dbraw/zinc/13/10/66/555131066.db2.gz	FRWVAIHORZLONI-DFXXOVSGSA-N	0	1	628.703	6.159	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1	ZINC000102893524	555131084	/nfs/dbraw/zinc/13/10/84/555131084.db2.gz	XKISSRLHRYJTHY-RVKWYQKSSA-N	0	1	576.649	6.005	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C	ZINC000102893693	555131353	/nfs/dbraw/zinc/13/13/53/555131353.db2.gz	GNOXBHNFHVRHAE-UUALVTFQSA-N	0	1	612.660	5.605	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C	ZINC000102893718	555131446	/nfs/dbraw/zinc/13/14/46/555131446.db2.gz	CEMFFTXZNMFDBH-WGGXKBPPSA-N	0	1	558.631	5.298	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1	ZINC000102894002	555132039	/nfs/dbraw/zinc/13/20/39/555132039.db2.gz	KCMYPNPNDFSGBE-UVDRRRQGSA-N	0	1	567.450	6.617	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C	ZINC000102894939	555133197	/nfs/dbraw/zinc/13/31/97/555133197.db2.gz	DYFAJRPVZQVTIN-IUKMQXEJSA-N	0	1	599.621	5.660	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1	ZINC000102895212	555133830	/nfs/dbraw/zinc/13/38/30/555133830.db2.gz	WUFNMBKRGDBSRU-LODGOHBISA-N	0	1	512.606	5.596	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000102895421	555134407	/nfs/dbraw/zinc/13/44/07/555134407.db2.gz	FQQGDAFKVHBLNE-JVJOXMINSA-N	0	1	620.724	6.156	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1	ZINC000102896263	555136058	/nfs/dbraw/zinc/13/60/58/555136058.db2.gz	FOPDDZAYOXNRDZ-AHPONGEQSA-N	0	1	551.743	8.737	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000102897415	555137913	/nfs/dbraw/zinc/13/79/13/555137913.db2.gz	BVXVLYVOJNSRDD-CJJGVWJISA-N	0	1	505.014	5.211	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C	ZINC000102899406	555139092	/nfs/dbraw/zinc/13/90/92/555139092.db2.gz	WJPJXHWSKBRNSP-WGGXKBPPSA-N	0	1	558.631	5.298	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000102899472	555139359	/nfs/dbraw/zinc/13/93/59/555139359.db2.gz	SAEVUAAUPQMQLK-FGEDTZIGSA-N	0	1	613.761	6.877	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C	ZINC000102899754	555139632	/nfs/dbraw/zinc/13/96/32/555139632.db2.gz	HQNCNAMBBOPZBZ-GSYBUTJLSA-N	0	1	556.659	5.851	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)cc1	ZINC000102924897	555149056	/nfs/dbraw/zinc/14/90/56/555149056.db2.gz	NQDQTGWJSDFPSV-MOBKVPTQSA-N	0	1	553.409	6.223	50	30		KKEAMN
CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000102925126	555149392	/nfs/dbraw/zinc/14/93/92/555149392.db2.gz	JZWZZAWULVNKFX-ZORLYMSLSA-N	0	1	554.687	5.280	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(OCC(=O)Nc3ccc(CC)cc3)C(=O)N2CCN(C)C)c1	ZINC000102925363	555149782	/nfs/dbraw/zinc/14/97/82/555149782.db2.gz	WSEVRSLTAQVDJM-JGCGQSQUSA-N	0	1	583.729	5.583	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCOC)cc1OCC	ZINC000102926583	555151171	/nfs/dbraw/zinc/15/11/71/555151171.db2.gz	SWLUDBSUGORAAX-JLPDLQRYSA-N	0	1	523.626	5.046	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000102927968	555152843	/nfs/dbraw/zinc/15/28/43/555152843.db2.gz	AKCWMBFAULDYHG-WOOAAIBNSA-N	0	1	547.416	5.488	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000102928022	555153202	/nfs/dbraw/zinc/15/32/02/555153202.db2.gz	FSJOFDCBJXYWGG-RWMNMRIUSA-N	0	1	556.659	5.995	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000102928020	555153216	/nfs/dbraw/zinc/15/32/16/555153216.db2.gz	FSJOFDCBJXYWGG-WENCHWOGSA-N	0	1	556.659	5.995	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102928591	555154162	/nfs/dbraw/zinc/15/41/62/555154162.db2.gz	LBCNWVIBKSRNFK-HOGKFDNTSA-N	0	1	502.523	5.157	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000102929122	555154846	/nfs/dbraw/zinc/15/48/46/555154846.db2.gz	DEQWBZCLQHZEIN-CJJGVWJISA-N	0	1	540.443	6.339	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1	ZINC000102929352	555155094	/nfs/dbraw/zinc/15/50/94/555155094.db2.gz	CEBWLBZGHIGWEQ-HFEWCJDKSA-N	0	1	519.966	6.101	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000102930139	555156523	/nfs/dbraw/zinc/15/65/23/555156523.db2.gz	PWUDYMRKDCWQGG-MOBKVPTQSA-N	0	1	508.958	6.114	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000102931487	555159188	/nfs/dbraw/zinc/15/91/88/555159188.db2.gz	IZUQYWHESBHWDM-CJJGVWJISA-N	0	1	603.096	6.795	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102931538	555159214	/nfs/dbraw/zinc/15/92/14/555159214.db2.gz	PLANNKKPWJPESB-JBCNATCCSA-N	0	1	505.508	5.131	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000102932342	555159929	/nfs/dbraw/zinc/15/99/29/555159929.db2.gz	HMULVJLCUYGMDF-SZYGQJGOSA-N	0	1	582.741	6.016	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1	ZINC000102934858	555162023	/nfs/dbraw/zinc/16/20/23/555162023.db2.gz	FZNVOHGNCYAYDM-SZYGQJGOSA-N	0	1	582.741	6.016	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1	ZINC000102934906	555162275	/nfs/dbraw/zinc/16/22/75/555162275.db2.gz	FAGMWUHKXRGLDI-RDGASKBCSA-N	0	1	576.649	6.005	50	30		KKEAMN
CCCC(=O)C1=C(Nc2ccc(NC3=C(C(=O)CCC)C(O)=C(C(=O)OC)C(C)(C)C3)cc2)CC(C)(C)[C@@H](C(=O)OC)C1=O	ZINC000102942655	555170792	/nfs/dbraw/zinc/17/07/92/555170792.db2.gz	QOJVZOOCNMVEBA-VSGBNLITSA-N	0	1	608.732	5.333	50	30		KKEAMN
CCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C	ZINC000102996151	555195682	/nfs/dbraw/zinc/19/56/82/555195682.db2.gz	SLNVVGBUZQPBNY-DJUQAAIZSA-N	0	1	527.750	6.035	50	30		KKEAMN
C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)ccc1Cl	ZINC000103035856	555222896	/nfs/dbraw/zinc/22/28/96/555222896.db2.gz	BZLGPBULXWPHCU-UHFFFAOYSA-N	0	1	618.524	5.218	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000100735621	571361137	/nfs/dbraw/zinc/36/11/37/571361137.db2.gz	CBVCAPNMASKFQE-SSEXGKCCSA-N	0	1	556.659	5.487	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(Br)cc1	ZINC000104186016	571376309	/nfs/dbraw/zinc/37/63/09/571376309.db2.gz	CSVWILWTZFDXAZ-AYWGPLOBSA-N	0	1	516.432	5.251	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000104187304	571376341	/nfs/dbraw/zinc/37/63/41/571376341.db2.gz	ZMQBBGVVYWZUCE-ZHHPLPSFSA-N	0	1	506.426	5.795	50	30		KKEAMN
N#Cc1ccc(-c2csc(N[P@](=O)(/C=C(/Cl)c3ccccc3)/C=C(\Cl)c3ccccc3)n2)cc1	ZINC000105593378	571407836	/nfs/dbraw/zinc/40/78/36/571407836.db2.gz	CGPSOWDXSNDFBR-JVBWRSBESA-N	0	1	522.397	8.847	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(Oc3ccccc3)cc2)nc1C	ZINC000138215077	571451190	/nfs/dbraw/zinc/45/11/90/571451190.db2.gz	PGUMMBMMCJURCG-JOCHJYFZSA-N	0	1	530.558	5.796	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1	ZINC000150352603	571462557	/nfs/dbraw/zinc/46/25/57/571462557.db2.gz	WACLKJCYAICKHL-YCPBAFNGSA-N	0	1	635.026	7.467	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/c1ccc2nc(-c3cccc4ccccc43)oc2c1	ZINC000150391466	571473719	/nfs/dbraw/zinc/47/37/19/571473719.db2.gz	JPUFAZGJNYAQMB-UVHMKAGCSA-N	0	1	616.196	7.313	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C	ZINC000150424260	571489019	/nfs/dbraw/zinc/48/90/19/571489019.db2.gz	RZKYBAODPJLHPE-AHPONGEQSA-N	0	1	687.840	7.360	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C	ZINC000150424263	571489024	/nfs/dbraw/zinc/48/90/24/571489024.db2.gz	RZKYBAODPJLHPE-ZORLYMSLSA-N	0	1	687.840	7.360	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C	ZINC000150424450	571489117	/nfs/dbraw/zinc/48/91/17/571489117.db2.gz	ALNMPYLJCQPDIK-QMMFTLRZSA-N	0	1	708.258	7.705	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C	ZINC000150424441	571489203	/nfs/dbraw/zinc/48/92/03/571489203.db2.gz	XHHIFHWTMOCGJJ-NNZNMFTDSA-N	0	1	706.286	8.257	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C	ZINC000150424791	571489339	/nfs/dbraw/zinc/48/93/39/571489339.db2.gz	CTAWVJVNFGXURT-QMMFTLRZSA-N	0	1	742.703	8.358	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C	ZINC000150424937	571489543	/nfs/dbraw/zinc/48/95/43/571489543.db2.gz	DLLDVSBPYIPKPC-CDXXWDJZSA-N	0	1	721.901	8.757	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000150426804	571491181	/nfs/dbraw/zinc/49/11/81/571491181.db2.gz	UECPOOLZHDSPEC-SBXHHDGASA-N	0	1	636.107	5.668	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1	ZINC000150435562	571495527	/nfs/dbraw/zinc/49/55/27/571495527.db2.gz	ZZILABCOXMIXAC-XSYNSRRPSA-N	0	1	760.721	9.065	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1	ZINC000150435828	571495860	/nfs/dbraw/zinc/49/58/60/571495860.db2.gz	QESWFICZRKWJDI-ZORLYMSLSA-N	0	1	655.128	7.325	50	30		KKEAMN
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccccc3OC)c2)c1	ZINC000150438619	571497050	/nfs/dbraw/zinc/49/70/50/571497050.db2.gz	VIPHFKISQKLDND-UHFFFAOYSA-N	0	1	697.235	5.620	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1	ZINC000150440075	571497831	/nfs/dbraw/zinc/49/78/31/571497831.db2.gz	IXWKXDUJSMOLAL-QCRSBAEDSA-N	0	1	709.821	7.897	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150445851	571500606	/nfs/dbraw/zinc/50/06/06/571500606.db2.gz	OFZMUGYCGMCRGQ-VXJPNWOUSA-N	0	1	662.233	8.003	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150445872	571500951	/nfs/dbraw/zinc/50/09/51/571500951.db2.gz	OFGLHEMHLKWAMY-NSOCNUKWSA-N	0	1	632.163	6.998	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150453994	571503776	/nfs/dbraw/zinc/50/37/76/571503776.db2.gz	HISKGDICXHCIRS-UWUYKNAISA-N	0	1	697.838	8.512	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150454014	571503815	/nfs/dbraw/zinc/50/38/15/571503815.db2.gz	HISKGDICXHCIRS-CYRRUZCLSA-N	0	1	697.838	8.512	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1	ZINC000150455055	571504383	/nfs/dbraw/zinc/50/43/83/571504383.db2.gz	YFJTYLYNZIFHPX-AHPONGEQSA-N	0	1	636.682	6.290	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150457719	571504913	/nfs/dbraw/zinc/50/49/13/571504913.db2.gz	MKHIVYJSBDUFCO-QMNXYOJKSA-N	0	1	692.259	8.011	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000150457510	571504932	/nfs/dbraw/zinc/50/49/32/571504932.db2.gz	NRFLOGLIMJYIIX-QBCYBHDASA-N	0	1	645.778	7.488	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150457918	571505313	/nfs/dbraw/zinc/50/53/13/571505313.db2.gz	OYVLFCJSEYMCOG-NNZNMFTDSA-N	0	1	665.768	7.498	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000150458802	571505461	/nfs/dbraw/zinc/50/54/61/571505461.db2.gz	FVOAECDJDNKZBH-WGGXKBPPSA-N	0	1	640.714	6.325	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150459173	571505731	/nfs/dbraw/zinc/50/57/31/571505731.db2.gz	HGKKTZNKTYTPJK-NSOCNUKWSA-N	0	1	634.179	7.222	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000150460582	571506032	/nfs/dbraw/zinc/50/60/32/571506032.db2.gz	OGZWQOFRWNQHLP-JNYBUSFRSA-N	0	1	689.831	7.887	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150460454	571506147	/nfs/dbraw/zinc/50/61/47/571506147.db2.gz	ALQKXVGNBJDBLA-QMDVFYPZSA-N	0	1	661.777	7.107	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150461148	571506424	/nfs/dbraw/zinc/50/64/24/571506424.db2.gz	FEIIJYJUZCVHIQ-JNYBUSFRSA-N	0	1	689.831	7.887	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150461143	571506428	/nfs/dbraw/zinc/50/64/28/571506428.db2.gz	FEIIJYJUZCVHIQ-NNZNMFTDSA-N	0	1	689.831	7.887	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000150462757	571506727	/nfs/dbraw/zinc/50/67/27/571506727.db2.gz	MBJLCGGBLNTLAV-JNYBUSFRSA-N	0	1	706.286	8.401	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000150462753	571506792	/nfs/dbraw/zinc/50/67/92/571506792.db2.gz	MBJLCGGBLNTLAV-NBXYUPGTSA-N	0	1	706.286	8.401	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C	ZINC000150463053	571506905	/nfs/dbraw/zinc/50/69/05/571506905.db2.gz	MDERYTBUDOXSNU-DFXXOVSGSA-N	0	1	648.734	6.015	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150463368	571507208	/nfs/dbraw/zinc/50/72/08/571507208.db2.gz	ZZKHMJFNQCFEHC-RIEKNRFYSA-N	0	1	647.778	7.498	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150463643	571507278	/nfs/dbraw/zinc/50/72/78/571507278.db2.gz	JURGPKJLMVEWAT-JVJOXMINSA-N	0	1	634.179	7.222	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000150469583	571508760	/nfs/dbraw/zinc/50/87/60/571508760.db2.gz	SSYOSIZMFQTOLQ-TXTDGAROSA-N	0	1	647.750	6.792	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000150471586	571509571	/nfs/dbraw/zinc/50/95/71/571509571.db2.gz	NKLITVLXWCXDHB-LHKMDIPOSA-N	0	1	678.232	7.621	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000150471601	571509643	/nfs/dbraw/zinc/50/96/43/571509643.db2.gz	ZBTBGLGJEGZDSE-NYFCFKJUSA-N	0	1	710.661	8.050	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000150471839	571509744	/nfs/dbraw/zinc/50/97/44/571509744.db2.gz	POCQPKNZSQCEOR-QMMFTLRZSA-N	0	1	708.258	7.849	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150480660	571512119	/nfs/dbraw/zinc/51/21/19/571512119.db2.gz	ISIQXNWITAGHAT-DFXXOVSGSA-N	0	1	698.650	7.960	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000150485508	571515851	/nfs/dbraw/zinc/51/58/51/571515851.db2.gz	VCUUNFCHLULILX-HKBQPEDESA-N	0	1	704.899	9.377	50	30		KKEAMN
CCCCCCCCC(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2)C[C@@H]1C	ZINC000169681592	571557554	/nfs/dbraw/zinc/55/75/54/571557554.db2.gz	BGSCYCIUWSYCGQ-QABMSTFYSA-N	0	1	509.760	5.896	50	30		KKEAMN
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000032822211	571744750	/nfs/dbraw/zinc/74/47/50/571744750.db2.gz	UATOAILWGVYRQS-HHHXNRCGSA-O	0	1	552.754	6.772	50	30	endogenous,in-man	KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(=O)c4ccco4)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000299804368	572138550	/nfs/dbraw/zinc/13/85/50/572138550.db2.gz	XVAWGFCFDLSSRP-HHHXNRCGSA-N	0	1	538.556	5.091	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl	ZINC000239165116	572191002	/nfs/dbraw/zinc/19/10/02/572191002.db2.gz	NLUPWCBZHLVZQB-UHFFFAOYSA-N	0	1	523.037	5.653	50	30		KKEAMN
CCC1SC(=NN=Cc2c(OS(=O)(=O)c3cc(Br)ccc3Br)ccc3ccccc32)NC1=O	ZINC000252598707	572267189	/nfs/dbraw/zinc/26/71/89/572267189.db2.gz	DCICQSFBACSAGE-LJQANCHMSA-N	0	1	611.337	5.464	50	30		KKEAMN
COC(=O)c1ccc(NC(=O)CSc2nc3ccc(N=Cc4cc(I)cc(I)c4O)cc3s2)cc1	ZINC000252625433	572270367	/nfs/dbraw/zinc/27/03/67/572270367.db2.gz	QJSFQZUJHIHDEL-UHFFFAOYSA-N	0	1	729.359	6.479	50	30		KKEAMN
Clc1ccc(OCCOc2c(Cl)cc(Cl)cc2C=NN=c2nc(N3CCCC3)[nH]c(N3CCCC3)n2)cc1	ZINC000252643458	572272516	/nfs/dbraw/zinc/27/25/16/572272516.db2.gz	ZUUXKYDNUIUKIW-UHFFFAOYSA-N	0	1	576.916	5.936	50	30		KKEAMN
COc1ccc(C=Nc2cccc(C3=NN(c4ccccc4)[C@@H](c4ccc(Br)cc4)C3)c2)cc1	ZINC000252677868	572281326	/nfs/dbraw/zinc/28/13/26/572281326.db2.gz	AIKLOCPDGOFHGR-GDLZYMKVSA-N	0	1	510.435	7.564	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC[C@H](c3c[nH]c4ccccc43)c3ccccc3)C1=O)O2	ZINC000253404986	572286081	/nfs/dbraw/zinc/28/60/81/572286081.db2.gz	IBBWXKCKNQRBHV-NBALRPHNSA-N	0	1	562.622	5.472	50	30		KKEAMN
CCCCCCCCCCCCCCCCNC(C)=C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O	ZINC000253415172	572289205	/nfs/dbraw/zinc/28/92/05/572289205.db2.gz	ZWRGLEUZBDFBOW-FALSPQAJSA-N	0	1	567.767	7.640	50	30		KKEAMN
CSCC[C@@H](NC(C)=C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O)c1nc(-c2ccccc2Cl)no1	ZINC000409415569	1069815187	/nfs/dbraw/zinc/81/51/87/1069815187.db2.gz	QASSZKKHWJVCAM-IKIFGXKNSA-N	0	1	610.088	5.356	50	30		KKEAMN
C=C(C)COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(OC)c(O)c5)oc-4c32)c1	ZINC000217812123	1071292718	/nfs/dbraw/zinc/29/27/18/1071292718.db2.gz	NOYPKRXHHRKFGW-IBGZPJMESA-N	0	1	500.503	5.276	50	30	biogenic	KKEAMN
O=[P@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)/N=C1\N=C2C=CC(Br)=CN2Cc2ccccc21	ZINC000103936305	1071338775	/nfs/dbraw/zinc/33/87/75/1071338775.db2.gz	GEZOXFAYADYHJC-QWUXMGJCSA-N	0	1	609.291	9.206	50	30		KKEAMN
CCCCCCCCCCCCCCC1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)NC1=O	ZINC000245266999	1072830656	/nfs/dbraw/zinc/83/06/56/1072830656.db2.gz	LAZJDBKEJMLVRR-MHZLTWQESA-N	0	1	729.601	8.992	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1	ZINC000097969645	1072836477	/nfs/dbraw/zinc/83/64/77/1072836477.db2.gz	XMHUGTWNRKCKEC-MGBGTMOVSA-N	0	1	560.823	9.121	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1	ZINC000097999687	1072842220	/nfs/dbraw/zinc/84/22/20/1072842220.db2.gz	UUXIAAGTAHWVRN-VWLRAHFJSA-N	0	1	621.177	8.874	50	30		KKEAMN
Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2[N-][NH+]=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C)c1	ZINC000254384834	1072850810	/nfs/dbraw/zinc/85/08/10/1072850810.db2.gz	XWCGUMKLFJLFSM-UHFFFAOYSA-N	0	1	591.693	7.928	50	30		KKEAMN
O=c1c2c(-c3ccccc3)csc2ncn1N=Cc1cc(Br)cc(Br)c1O	ZINC000254753628	1072876499	/nfs/dbraw/zinc/87/64/99/1072876499.db2.gz	MYVLBVBZSDUWLA-UHFFFAOYSA-N	0	1	505.191	5.238	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000000631129	551505042	/nfs/dbraw/zinc/50/50/42/551505042.db2.gz	XSWXZQIPVGUTQQ-IBGZPJMESA-N	0	1	512.971	5.073	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000000631146	551505078	/nfs/dbraw/zinc/50/50/78/551505078.db2.gz	BAJJUBNZLDBFLH-LJQANCHMSA-N	0	1	512.971	5.073	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Br)c2)nc1C	ZINC000000631067	551505090	/nfs/dbraw/zinc/50/50/90/551505090.db2.gz	SSVDCJNAOGIWTQ-SFHVURJKSA-N	0	1	545.386	5.313	50	30		KKEAMN
CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000000647243	551508157	/nfs/dbraw/zinc/50/81/57/551508157.db2.gz	JTISBAXSJKDXLT-PRAQEBQASA-N	0	1	527.577	5.923	50	30		KKEAMN
CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000000647237	551508190	/nfs/dbraw/zinc/50/81/90/551508190.db2.gz	JTISBAXSJKDXLT-WENCNXQZSA-N	0	1	527.577	5.923	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000000702687	551529839	/nfs/dbraw/zinc/52/98/39/551529839.db2.gz	KPKBKBOHRZFBOQ-HOFKKMOUSA-N	0	1	523.626	5.276	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000000718125	551535036	/nfs/dbraw/zinc/53/50/36/551535036.db2.gz	SXGANHMVGCHPAB-HLADLETHSA-N	0	1	506.602	6.092	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000000718144	551535231	/nfs/dbraw/zinc/53/52/31/551535231.db2.gz	CUZCICFXLCZOFG-PKHCJMHPSA-N	0	1	542.632	6.032	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3N=C3CC(C)(C)CC(=O)C3[C@@H]2c2ccc(N(C)C)cc2)cc(OC)c1OC	ZINC000000719689	551536101	/nfs/dbraw/zinc/53/61/01/551536101.db2.gz	QMKIHUCOMSISGT-PMERELPUSA-N	0	1	555.675	6.235	50	30		KKEAMN
COc1cc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc(OC)c1OC	ZINC000000985921	551592476	/nfs/dbraw/zinc/59/24/76/551592476.db2.gz	UCEDUESVBAWLLV-VKGTZQKMSA-N	0	1	566.576	6.484	50	30		KKEAMN
COc1cc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC	ZINC000000985924	551592484	/nfs/dbraw/zinc/59/24/84/551592484.db2.gz	VFKHKRRDTMZELY-QCBOHVIISA-N	0	1	574.677	7.235	50	30		KKEAMN
COc1cc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc(OC)c1OC	ZINC000001070641	551602940	/nfs/dbraw/zinc/60/29/40/551602940.db2.gz	WCEKOHGEXIYCLY-MYUZEXMDSA-N	0	1	552.549	6.175	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1	ZINC000001301426	551638121	/nfs/dbraw/zinc/63/81/21/551638121.db2.gz	ZYWGIEIWAWOAQJ-WBBHLRKXSA-N	0	1	548.664	7.058	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccc(OC)c(OC)c2)cc1	ZINC000001303166	551638504	/nfs/dbraw/zinc/63/85/04/551638504.db2.gz	LYYYXIWLMVGEQO-VKGTZQKMSA-N	0	1	552.549	6.175	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2ccc(OC)c(OC)c2)cc1	ZINC000001303164	551638538	/nfs/dbraw/zinc/63/85/38/551638538.db2.gz	LYYYXIWLMVGEQO-HMILPKGGSA-N	0	1	552.549	6.175	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1OC	ZINC000001409628	551664227	/nfs/dbraw/zinc/66/42/27/551664227.db2.gz	KFGVICPIJUBQSK-JKFCTSDTSA-N	0	1	544.651	7.227	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(O)c(OCC)c2)cc1	ZINC000001411054	551664692	/nfs/dbraw/zinc/66/46/92/551664692.db2.gz	CYDXQDDUXOYYGK-MUUNZHRXSA-N	0	1	526.589	5.492	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000001411051	551664735	/nfs/dbraw/zinc/66/47/35/551664735.db2.gz	VXKXGDIHGBIMAS-MHZLTWQESA-N	0	1	512.562	5.102	50	30		KKEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccnc1	ZINC000001413436	551665750	/nfs/dbraw/zinc/66/57/50/551665750.db2.gz	WFNCFARBRLRGPN-QHCPKHFHSA-N	0	1	502.368	5.146	50	30		KKEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(O)c1	ZINC000001413440	551665787	/nfs/dbraw/zinc/66/57/87/551665787.db2.gz	PCBQRDWHZUDGMO-DEOSSOPVSA-N	0	1	517.379	5.457	50	30		KKEAMN
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1O	ZINC000001437518	551671468	/nfs/dbraw/zinc/67/14/68/551671468.db2.gz	UVNNOHLJUICXHP-DEXQXJORSA-N	0	1	561.591	5.704	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1Cl	ZINC000001449089	551674587	/nfs/dbraw/zinc/67/45/87/551674587.db2.gz	MPGAFAGQWVWOAB-JOCHJYFZSA-N	0	1	527.802	5.675	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1Cl	ZINC000001449088	551674591	/nfs/dbraw/zinc/67/45/91/551674591.db2.gz	MPGAFAGQWVWOAB-QFIPXVFZSA-N	0	1	527.802	5.675	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000001449484	551674814	/nfs/dbraw/zinc/67/48/14/551674814.db2.gz	HDXQRAPFDWQNTE-DEOSSOPVSA-N	0	1	544.585	5.273	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000001449485	551674857	/nfs/dbraw/zinc/67/48/57/551674857.db2.gz	HDXQRAPFDWQNTE-XMMPIXPASA-N	0	1	544.585	5.273	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000001458960	551677669	/nfs/dbraw/zinc/67/76/69/551677669.db2.gz	QEMRRNBETSHQPM-XDCSYDRFSA-N	0	1	560.650	6.927	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000001467604	551680125	/nfs/dbraw/zinc/68/01/25/551680125.db2.gz	QSNCFUOLNYEMGU-LJAQVGFWSA-N	0	1	520.585	6.360	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000001467634	551680134	/nfs/dbraw/zinc/68/01/34/551680134.db2.gz	LCYQAIVNMPGBDD-LJAQVGFWSA-N	0	1	542.632	5.097	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000001479926	551681218	/nfs/dbraw/zinc/68/12/18/551681218.db2.gz	DEFDJCIFVMCDMV-HXUWFJFHSA-N	0	1	541.448	6.302	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1	ZINC000001480876	551682216	/nfs/dbraw/zinc/68/22/16/551682216.db2.gz	HOMBCLAVUIDHNW-QHCPKHFHSA-N	0	1	534.565	5.634	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000001481477	551682636	/nfs/dbraw/zinc/68/26/36/551682636.db2.gz	XJCKOWHHAKMGTF-QHCPKHFHSA-N	0	1	550.564	5.253	50	30		KKEAMN
CCCCCCCCn1c2ccccc2nc1/N=C/c1cc(Br)cc(Br)c1O	ZINC000002054346	551739411	/nfs/dbraw/zinc/73/94/11/551739411.db2.gz	DVUIITQZWIJJCB-MFKUBSTISA-N	0	1	507.270	7.378	50	30		KKEAMN
CCc1ccc(/N=C2\S/C(=C\c3cc(Cl)cc(Br)c3O)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000002081878	551752022	/nfs/dbraw/zinc/75/20/22/551752022.db2.gz	JCPPAOVPLKYLDI-XNLNZBGWSA-N	0	1	541.898	7.742	50	30		KKEAMN
Oc1c(I)cc(Br)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1	ZINC000003049932	552277062	/nfs/dbraw/zinc/27/70/62/552277062.db2.gz	BKGBIBYHWRCABF-YSURURNPSA-N	0	1	537.126	6.457	50	30		KKEAMN
CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4cc(Br)cc(Br)c4O)cc3o2)cc1	ZINC000003102926	552288200	/nfs/dbraw/zinc/28/82/00/552288200.db2.gz	DRIISSMBXPLYIU-UVHMKAGCSA-N	0	1	528.244	7.774	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1/C=N/c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1	ZINC000003113744	552290046	/nfs/dbraw/zinc/29/00/46/552290046.db2.gz	QXYNOGMZSKYGRL-YCPBAFNGSA-N	0	1	541.026	7.783	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(OCc3ccc(C#N)cc3)C(=O)N2CCN(C)C)c1	ZINC000003334959	552360776	/nfs/dbraw/zinc/36/07/76/552360776.db2.gz	GYLJTBHZPNYWEG-PMERELPUSA-N	0	1	537.660	5.454	50	30		KKEAMN
O=C(CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2s1)Nc1ccc(Br)cc1	ZINC000003663596	552408054	/nfs/dbraw/zinc/40/80/54/552408054.db2.gz	RVBNALZZDKLAAE-NSKAYECMSA-N	0	1	567.317	7.553	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(Br)c1)c1ccc(Cl)cc1	ZINC000004635185	552469530	/nfs/dbraw/zinc/46/95/30/552469530.db2.gz	JOHIMXUWHZIZLY-XMMPIXPASA-N	0	1	535.825	6.405	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000005355491	552498567	/nfs/dbraw/zinc/49/85/67/552498567.db2.gz	YWLRICMRSYUURU-DEOSSOPVSA-N	0	1	619.493	6.966	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000005918866	552512052	/nfs/dbraw/zinc/51/20/52/552512052.db2.gz	VXJKOMADERUPBC-CLYVBNDRSA-N	0	1	517.578	5.569	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000005919201	552512358	/nfs/dbraw/zinc/51/23/58/552512358.db2.gz	SKMINXOTNHPCBJ-VWLOTQADSA-N	0	1	578.687	6.297	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000005919163	552512419	/nfs/dbraw/zinc/51/24/19/552512419.db2.gz	SKMINXOTNHPCBJ-RUZDIDTESA-N	0	1	578.687	6.297	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000005919062	552512480	/nfs/dbraw/zinc/51/24/80/552512480.db2.gz	PDAYZJYLJWAXEU-QHCPKHFHSA-N	0	1	566.632	5.135	50	30		KKEAMN
C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)C(C#N)c2nc3ccccc3n2C)c1	ZINC000006094789	552534204	/nfs/dbraw/zinc/53/42/04/552534204.db2.gz	ZYSILPASAUMGDB-JOCHJYFZSA-N	0	1	504.999	5.098	50	30		KKEAMN
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1	ZINC000006146144	552547649	/nfs/dbraw/zinc/54/76/49/552547649.db2.gz	RRJRNGKFUAFZNF-UHFFFAOYSA-N	0	1	524.595	6.168	50	30		KKEAMN
O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1ccccc1NS(=O)(=O)c1ccc(F)cc1	ZINC000006146953	552548541	/nfs/dbraw/zinc/54/85/41/552548541.db2.gz	HBJMSDOICQUIMA-UHFFFAOYSA-N	0	1	506.399	5.916	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1	ZINC000006297560	552579753	/nfs/dbraw/zinc/57/97/53/552579753.db2.gz	LWOGOHBSVIGFHK-HEIROHQZSA-N	0	1	594.689	6.766	50	30		KKEAMN
Clc1ccc(-c2ccc(C=NN=c3nc(Nc4ccccc4)[nH]c(Nc4ccccc4)n3)o2)c(Cl)c1	ZINC000006473835	552592007	/nfs/dbraw/zinc/59/20/07/552592007.db2.gz	CFHFNTCVDDHXOE-MUFRIFMGSA-N	0	1	516.392	7.372	50	30		KKEAMN
CC(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000008383358	552986590	/nfs/dbraw/zinc/98/65/90/552986590.db2.gz	PWMUGMSHUYONLH-SANMLTNESA-N	0	1	585.682	7.622	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OC	ZINC000008383461	552986883	/nfs/dbraw/zinc/98/68/83/552986883.db2.gz	ZWILMJBEOCXOMT-SANMLTNESA-N	0	1	617.680	6.906	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc(OC)c1OC	ZINC000008383988	552988287	/nfs/dbraw/zinc/98/82/87/552988287.db2.gz	GTPPIILSVJYRCM-AREMUKBSSA-N	0	1	629.716	6.694	50	30		KKEAMN
CCc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000008383986	552988325	/nfs/dbraw/zinc/98/83/25/552988325.db2.gz	FEEMLBZFVLLGMN-SANMLTNESA-N	0	1	567.692	7.230	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3cccc(Cl)c3)s2)cc1	ZINC000008384031	552988739	/nfs/dbraw/zinc/98/87/39/552988739.db2.gz	JWYMEIUZAAQFSV-XMMPIXPASA-N	0	1	574.083	7.321	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3cccc(Cl)c3)s2)cc1	ZINC000008384036	552988744	/nfs/dbraw/zinc/98/87/44/552988744.db2.gz	JWYMEIUZAAQFSV-DEOSSOPVSA-N	0	1	574.083	7.321	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000008384082	552988829	/nfs/dbraw/zinc/98/88/29/552988829.db2.gz	NEWTTYMLPUJFST-XMMPIXPASA-N	0	1	590.082	7.022	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/c1ccc(-c2nc3c(ccc4ccccc34)o2)cc1	ZINC000008386732	552992571	/nfs/dbraw/zinc/99/25/71/552992571.db2.gz	BATJRTKVRNJLLT-UVHMKAGCSA-N	0	1	616.196	7.313	50	30		KKEAMN
CCCCC1S/C(=N/N=C/c2cc(C)ccc2OS(=O)(=O)c2cc(Br)ccc2Br)NC1=O	ZINC000008400513	553004932	/nfs/dbraw/zinc/00/49/32/553004932.db2.gz	XWJCFEYDAIPLBZ-AMAFCZHPSA-N	0	1	603.358	5.399	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@H]2c2cccc(I)c2)C1	ZINC000008432102	553025131	/nfs/dbraw/zinc/02/51/31/553025131.db2.gz	VJOVNQYQNOQWFB-NDEPHWFRSA-N	0	1	562.451	6.677	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@H](c4cccc(F)c4)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000008433081	553027959	/nfs/dbraw/zinc/02/79/59/553027959.db2.gz	OXHAKRSVPWRXSM-ICACTRECSA-N	0	1	587.478	8.356	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000008441064	553039559	/nfs/dbraw/zinc/03/95/59/553039559.db2.gz	CLUDXZJPTMVKLP-JOCHJYFZSA-N	0	1	537.410	6.543	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000008441244	553040026	/nfs/dbraw/zinc/04/00/26/553040026.db2.gz	ORCUAOFUEWDEEQ-AREMUKBSSA-N	0	1	581.675	6.924	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1OCc1ccccc1	ZINC000008441512	553040899	/nfs/dbraw/zinc/04/08/99/553040899.db2.gz	HQINUQOZNLTDKL-GLKRMMSRSA-N	0	1	555.627	5.355	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000008441543	553041121	/nfs/dbraw/zinc/04/11/21/553041121.db2.gz	MKWLIXCHQVOOJD-MHZLTWQESA-N	0	1	533.577	5.407	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1cccs1	ZINC000008441775	553042152	/nfs/dbraw/zinc/04/21/52/553042152.db2.gz	CBQSKATXXRJBFR-RUZDIDTESA-N	0	1	581.700	7.574	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1OCC	ZINC000008444063	553049010	/nfs/dbraw/zinc/04/90/10/553049010.db2.gz	OAMRIZUYZGDHNX-YUYWZBKDSA-N	0	1	538.688	7.575	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1	ZINC000008444081	553049066	/nfs/dbraw/zinc/04/90/66/553049066.db2.gz	IVIVMMAVNODBNU-SBVPHTNJSA-N	0	1	570.733	8.747	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000008445109	553053158	/nfs/dbraw/zinc/05/31/58/553053158.db2.gz	WDTNHCDLAXJEON-WYOOIXGGSA-N	0	1	569.658	7.093	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3OCCC)C2)[C@H]1c1ccc(OC)cc1	ZINC000008445120	553053187	/nfs/dbraw/zinc/05/31/87/553053187.db2.gz	PVFPRHNXQAMJFF-YQPGIBNTSA-N	0	1	552.715	7.965	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000008450782	553059039	/nfs/dbraw/zinc/05/90/39/553059039.db2.gz	CQARRPBVHYMDMO-MQFAKOPTSA-N	0	1	572.658	6.040	50	30		KKEAMN
Clc1cc(Cl)c(OCCOc2ccccc2)c(C=NN=c2nc(N3CCCC3)[nH]c(N3CCCC3)n2)c1	ZINC000008492801	553076066	/nfs/dbraw/zinc/07/60/66/553076066.db2.gz	NNSDUGQNDZSWMA-RDRPBHBLSA-N	0	1	542.471	5.283	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000008695579	553122220	/nfs/dbraw/zinc/12/22/20/553122220.db2.gz	WBRPLGYKMHLJHB-GEFUHLBYSA-N	0	1	558.631	5.650	50	30		KKEAMN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2cccc(Cl)c2)cc1	ZINC000008695599	553122282	/nfs/dbraw/zinc/12/22/82/553122282.db2.gz	FBDPOSQCOIOTCW-NIYFSFCBSA-N	0	1	510.943	7.111	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1	ZINC000008695621	553122422	/nfs/dbraw/zinc/12/24/22/553122422.db2.gz	MYNAMKRMYVTVBH-NHRFMIRVSA-N	0	1	559.106	7.838	50	30		KKEAMN
C[C@]12CC[C@@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@]2(O)C/N=C/c1cc(Cl)cc(Cl)c1O	ZINC000008739269	553131401	/nfs/dbraw/zinc/13/14/01/553131401.db2.gz	IMNYBTVHQUPUHM-VYQGSPINSA-N	0	1	534.524	6.555	50	30	biogenic	KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000008741004	553132483	/nfs/dbraw/zinc/13/24/83/553132483.db2.gz	UZDODZWHTCEZHX-FQEVSTJZSA-N	0	1	509.381	5.997	50	30		KKEAMN
COc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)c1	ZINC000008749815	553135208	/nfs/dbraw/zinc/13/52/08/553135208.db2.gz	PKMDQELUIHNCIJ-MHZLTWQESA-N	0	1	536.459	7.851	50	30		KKEAMN
COc1cc([C@@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC	ZINC000008753240	553135719	/nfs/dbraw/zinc/13/57/19/553135719.db2.gz	JZKNWYQIRMPUSI-SXZDHJFLSA-N	0	1	616.758	8.224	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)nc1C	ZINC000008816708	553152088	/nfs/dbraw/zinc/15/20/88/553152088.db2.gz	PVJZOHDHXORRNY-GOSISDBHSA-N	0	1	500.935	5.204	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(OC)c3)sc2c1	ZINC000008817910	553153165	/nfs/dbraw/zinc/15/31/65/553153165.db2.gz	BBKVDSABWRYFRI-HSZRJFAPSA-N	0	1	504.539	5.626	50	30		KKEAMN
COc1ccc(CNC(=O)C(C#N)c2nc3ccccc3nc2N2CCC(Cc3ccccc3)CC2)cc1	ZINC000008836123	553162942	/nfs/dbraw/zinc/16/29/42/553162942.db2.gz	YDVCNYMQQODAKU-AREMUKBSSA-N	0	1	505.622	5.021	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccco3)C2)cc1	ZINC000008846682	553166330	/nfs/dbraw/zinc/16/63/30/553166330.db2.gz	YXJBVGKGKIRLFE-DWXRJYCRSA-N	0	1	508.540	7.040	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000008905351	553183731	/nfs/dbraw/zinc/18/37/31/553183731.db2.gz	NZUKHQCCNZTPTE-GOSISDBHSA-N	0	1	500.935	5.204	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000008964765	553194756	/nfs/dbraw/zinc/19/47/56/553194756.db2.gz	ZOOAIEZLCAMZFL-YKGWIAGDSA-N	0	1	510.590	5.792	50	30	biogenic	KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000008973269	553195169	/nfs/dbraw/zinc/19/51/69/553195169.db2.gz	RNLRSQDMXHFLMY-NRFANRHFSA-N	0	1	505.483	5.135	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc(Br)c1)c1ccccc1	ZINC000008973715	553195601	/nfs/dbraw/zinc/19/56/01/553195601.db2.gz	FBOLFPADUFCVEP-HXUWFJFHSA-N	0	1	509.356	5.981	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl	ZINC000009011984	553199753	/nfs/dbraw/zinc/19/97/53/553199753.db2.gz	JRDSMGABDMROBV-UDNBHOFDSA-N	0	1	513.081	8.129	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000009012090	553199873	/nfs/dbraw/zinc/19/98/73/553199873.db2.gz	MEZMNOLDGUIJQP-QHCPKHFHSA-N	0	1	513.468	5.514	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000009019666	553201148	/nfs/dbraw/zinc/20/11/48/553201148.db2.gz	DNLGYNVFPNPVOK-HHHXNRCGSA-N	0	1	516.594	5.308	50	30		KKEAMN
COc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)c1	ZINC000009041813	553202427	/nfs/dbraw/zinc/20/24/27/553202427.db2.gz	XEDUAZAMCOWNNS-LJAQVGFWSA-N	0	1	501.026	6.734	50	30		KKEAMN
CCCOc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CC)[C@H]2c1ccc(OC)cc1	ZINC000009041879	553202475	/nfs/dbraw/zinc/20/24/75/553202475.db2.gz	MJHZXZCGVYCEKR-ICACTRECSA-N	0	1	510.634	6.795	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)c(OCC)c2)c(C)c1	ZINC000009043254	553202886	/nfs/dbraw/zinc/20/28/86/553202886.db2.gz	NTOKNEWJUPQBJH-HHHXNRCGSA-N	0	1	516.594	5.452	50	30		KKEAMN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009044849	553203234	/nfs/dbraw/zinc/20/32/34/553203234.db2.gz	SDCULVRBLRLKSE-JOCHJYFZSA-N	0	1	506.898	5.208	50	30		KKEAMN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009044855	553203283	/nfs/dbraw/zinc/20/32/83/553203283.db2.gz	SDCULVRBLRLKSE-QFIPXVFZSA-N	0	1	506.898	5.208	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000009045725	553203505	/nfs/dbraw/zinc/20/35/05/553203505.db2.gz	ZEYUGEDCKDKTHF-HSZRJFAPSA-N	0	1	520.538	5.244	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009046222	553203828	/nfs/dbraw/zinc/20/38/28/553203828.db2.gz	XKEHJZWZHCCZKQ-QFIPXVFZSA-N	0	1	502.548	5.384	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2OC)cc1	ZINC000009066962	553206442	/nfs/dbraw/zinc/20/64/42/553206442.db2.gz	JOONHZJWNDBXBR-QHCPKHFHSA-N	0	1	504.539	5.626	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)ccc1OCc1ccccc1	ZINC000009068795	553206643	/nfs/dbraw/zinc/20/66/43/553206643.db2.gz	CRXWJSILSMLNQG-MUUNZHRXSA-N	0	1	525.004	6.401	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)o1	ZINC000009069280	553206774	/nfs/dbraw/zinc/20/67/74/553206774.db2.gz	SGHNRUDXDLERKT-IBGZPJMESA-N	0	1	513.344	5.882	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000009086097	553208271	/nfs/dbraw/zinc/20/82/71/553208271.db2.gz	GWRDQZGATBFFGY-RUZDIDTESA-N	0	1	501.539	5.256	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000009122751	553212160	/nfs/dbraw/zinc/21/21/60/553212160.db2.gz	YNSNWNCWBYZRNA-QFIPXVFZSA-N	0	1	508.958	6.270	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000009158245	553215098	/nfs/dbraw/zinc/21/50/98/553215098.db2.gz	SZHPCYPHLAWEPB-UKPGIYTDSA-N	0	1	512.606	6.023	50	30		KKEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)c1C	ZINC000009160205	553215573	/nfs/dbraw/zinc/21/55/73/553215573.db2.gz	YKQYAVQWZGQRBN-VWLOTQADSA-N	0	1	501.583	5.105	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(OC)c2OC)cc1Cl	ZINC000009175809	553216069	/nfs/dbraw/zinc/21/60/69/553216069.db2.gz	OAFUMWCGVBPAFV-HXUWFJFHSA-N	0	1	514.987	5.222	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000009176332	553216156	/nfs/dbraw/zinc/21/61/56/553216156.db2.gz	TXFSEBPFSDEFTO-XMMPIXPASA-N	0	1	518.566	6.016	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000009177141	553216441	/nfs/dbraw/zinc/21/64/41/553216441.db2.gz	KJRFSMYJLJNUJM-QGZVFWFLSA-N	0	1	503.363	5.328	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000009186502	553217624	/nfs/dbraw/zinc/21/76/24/553217624.db2.gz	DCMXOJHVOCGNTO-LJQANCHMSA-N	0	1	501.416	6.756	50	30		KKEAMN
Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009264248	553228835	/nfs/dbraw/zinc/22/88/35/553228835.db2.gz	MYPYBFFKDKTOND-DFXYEROKSA-N	0	1	524.020	7.848	50	30		KKEAMN
O=C(NC1CCCCC1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000009264241	553228840	/nfs/dbraw/zinc/22/88/40/553228840.db2.gz	YZIKHBBHZKJNKV-AFJIDDCJSA-N	0	1	516.041	7.349	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000009282357	553233846	/nfs/dbraw/zinc/23/38/46/553233846.db2.gz	QKDJJOSJBTUXET-SANMLTNESA-N	0	1	502.567	5.056	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)ccc1OCCC(C)C	ZINC000009290664	553234508	/nfs/dbraw/zinc/23/45/08/553234508.db2.gz	OUTUAEUVFBLWMM-MMTVBGGISA-N	0	1	537.653	5.448	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000009292828	553235301	/nfs/dbraw/zinc/23/53/01/553235301.db2.gz	PXDNLJQCWHHTAZ-HMILPKGGSA-N	0	1	526.589	5.147	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)cc1OCC	ZINC000009308822	553237711	/nfs/dbraw/zinc/23/77/11/553237711.db2.gz	AUPDNFBQXZWBKL-WTYVLRPYSA-N	0	1	537.653	5.593	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000009312241	553240065	/nfs/dbraw/zinc/24/00/65/553240065.db2.gz	KRMAJLDWXIILEM-RCRUUEGKSA-N	0	1	525.645	6.256	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000009312107	553240097	/nfs/dbraw/zinc/24/00/97/553240097.db2.gz	XLOQOPKCXREUEG-ACSYHNTCSA-N	0	1	527.617	5.976	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCOC)cc1OCC	ZINC000009312652	553240458	/nfs/dbraw/zinc/24/04/58/553240458.db2.gz	WQHBEEBJFSUHEE-PPHZAIPVSA-N	0	1	523.626	5.202	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCOC)cc1OCC	ZINC000009312653	553240522	/nfs/dbraw/zinc/24/05/22/553240522.db2.gz	WQHBEEBJFSUHEE-XHCCPWGMSA-N	0	1	523.626	5.202	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000009313030	553241020	/nfs/dbraw/zinc/24/10/20/553241020.db2.gz	AIPFDMSNWIOQEH-KCWXNJEJSA-N	0	1	511.618	6.213	50	30		KKEAMN
CCCOc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)CC	ZINC000009327509	553241720	/nfs/dbraw/zinc/24/17/20/553241720.db2.gz	FERUFQUYQKNRQF-APYJYERMSA-N	0	1	510.634	6.795	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000009329431	553242422	/nfs/dbraw/zinc/24/24/22/553242422.db2.gz	PRLIEDLPRWOWBR-GTJPDFRWSA-N	0	1	508.983	5.414	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccccc1OCc1ccccc1	ZINC000009348783	553244780	/nfs/dbraw/zinc/24/47/80/553244780.db2.gz	OGFOSWQPSAXSLQ-XIFFEERXSA-N	0	1	522.689	7.989	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000009357947	553247303	/nfs/dbraw/zinc/24/73/03/553247303.db2.gz	IWUWXJDJEHBDJR-ZAMGYDSWSA-N	0	1	504.514	5.681	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1	ZINC000009358691	553247683	/nfs/dbraw/zinc/24/76/83/553247683.db2.gz	HWWRTYPEFIDGNN-ZLOXQWCVSA-N	0	1	504.514	5.681	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000009359513	553247916	/nfs/dbraw/zinc/24/79/16/553247916.db2.gz	OUNRNXBXNXWTEN-NDEPHWFRSA-N	0	1	515.606	6.191	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1	ZINC000009373729	553250487	/nfs/dbraw/zinc/25/04/87/553250487.db2.gz	DBTLCABPVWVVCQ-LFPIHBKWSA-N	0	1	516.550	5.550	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1	ZINC000009375233	553251209	/nfs/dbraw/zinc/25/12/09/553251209.db2.gz	FMCAHRZBVSLDDY-QHCPKHFHSA-N	0	1	504.564	5.778	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000009380494	553251700	/nfs/dbraw/zinc/25/17/00/553251700.db2.gz	ZYSBYZVBLVWNFN-MUUNZHRXSA-N	0	1	512.650	6.645	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C	ZINC000009380456	553251830	/nfs/dbraw/zinc/25/18/30/553251830.db2.gz	RRHDTTDDLBKSSI-RUZDIDTESA-N	0	1	525.432	6.654	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000009414295	553258154	/nfs/dbraw/zinc/25/81/54/553258154.db2.gz	WITAMLLUPQRFHI-MUUNZHRXSA-N	0	1	529.589	5.076	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000009424253	553258486	/nfs/dbraw/zinc/25/84/86/553258486.db2.gz	YGIRHSJUUYIYMF-WINIVTDRSA-N	0	1	501.579	5.806	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000009424561	553258687	/nfs/dbraw/zinc/25/86/87/553258687.db2.gz	YQXCDQGBYUELID-HXUWFJFHSA-N	0	1	502.832	6.050	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(Br)cc1	ZINC000009424599	553258930	/nfs/dbraw/zinc/25/89/30/553258930.db2.gz	GZBPLOVFWVSVIA-DEOSSOPVSA-N	0	1	520.379	5.041	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(O)c2)cc1	ZINC000009425041	553259014	/nfs/dbraw/zinc/25/90/14/553259014.db2.gz	FZDSYMVTJPUUJC-MUUNZHRXSA-N	0	1	523.589	5.145	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(O)c2)cc1	ZINC000009425208	553259336	/nfs/dbraw/zinc/25/93/36/553259336.db2.gz	WTKBTVNZDPIQOY-MUUNZHRXSA-N	0	1	506.558	5.453	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000009427529	553259860	/nfs/dbraw/zinc/25/98/60/553259860.db2.gz	COLFFLHIHXVIMJ-PZGXJGMVSA-N	0	1	510.565	5.923	50	30		KKEAMN
Cc1ccc(S(=O)(=O)N[C@H]2c3cccc4cccc(c34)[C@H]2Sc2nncn2N=C2CCCC2)cc1	ZINC000009428632	553260614	/nfs/dbraw/zinc/26/06/14/553260614.db2.gz	HBWBAACCGRNOOS-LOSJGSFVSA-N	0	1	503.653	5.384	50	30		KKEAMN
CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3cc(C(=O)c4ccccc4)ccc3N2C(C)=O)cc1	ZINC000009434622	553263981	/nfs/dbraw/zinc/26/39/81/553263981.db2.gz	RHIWNPRNVMZUPY-PMERELPUSA-N	0	1	508.618	6.479	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1	ZINC000009436555	553264527	/nfs/dbraw/zinc/26/45/27/553264527.db2.gz	HWWRTYPEFIDGNN-NPMABZOXSA-N	0	1	504.514	5.681	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000009451981	553265995	/nfs/dbraw/zinc/26/59/95/553265995.db2.gz	XZJUZLTUJQZCLF-QUGAMOGWSA-N	0	1	503.551	5.179	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000009458903	553266539	/nfs/dbraw/zinc/26/65/39/553266539.db2.gz	FSVGKRZZYGNFSX-SANMLTNESA-N	0	1	503.551	5.398	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000009458472	553266562	/nfs/dbraw/zinc/26/65/62/553266562.db2.gz	WWCFLFGELILSNY-NGOKVRLYSA-N	0	1	512.606	5.608	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000009459412	553266677	/nfs/dbraw/zinc/26/66/77/553266677.db2.gz	VIGLXVGAUFJBEY-MUUNZHRXSA-N	0	1	513.590	5.805	50	30		KKEAMN
O=C(N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccccc1Cl)C(F)(F)F	ZINC000009459477	553266714	/nfs/dbraw/zinc/26/67/14/553266714.db2.gz	CEDWHZRMMVNNTQ-IVCQMTBJSA-N	0	1	514.906	6.942	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3ccccc3F)cc2)c1	ZINC000009461087	553267283	/nfs/dbraw/zinc/26/72/83/553267283.db2.gz	IPZJIBMCMYGHLI-NDEPHWFRSA-N	0	1	508.549	5.887	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccs2)cc1	ZINC000009461233	553267570	/nfs/dbraw/zinc/26/75/70/553267570.db2.gz	IRAILGPBRGGKPX-LJQANCHMSA-N	0	1	512.609	5.261	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000009461292	553267575	/nfs/dbraw/zinc/26/75/75/553267575.db2.gz	UCAFMUBNNVNOCQ-NDEPHWFRSA-N	0	1	509.558	5.954	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000009463721	553269106	/nfs/dbraw/zinc/26/91/06/553269106.db2.gz	YDMCTSPCXNQGIE-MUUNZHRXSA-N	0	1	527.573	5.200	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000009464828	553269536	/nfs/dbraw/zinc/26/95/36/553269536.db2.gz	KEFQSGHBHPCFTH-WINIVTDRSA-N	0	1	501.579	5.951	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(Br)c3)ccc2O1	ZINC000009471303	553269943	/nfs/dbraw/zinc/26/99/43/553269943.db2.gz	FCNPNBAMKVZKPD-SSOJOUAXSA-N	0	1	518.407	5.594	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000009471423	553269960	/nfs/dbraw/zinc/26/99/60/553269960.db2.gz	YUZWOKWNMPRATA-WHLCRQNOSA-N	0	1	528.605	5.371	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(Br)c1	ZINC000009471414	553269992	/nfs/dbraw/zinc/26/99/92/553269992.db2.gz	IEDQHOCFQZIYEV-XMMPIXPASA-N	0	1	520.379	5.041	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCOC)cc1	ZINC000009507076	553275710	/nfs/dbraw/zinc/27/57/10/553275710.db2.gz	BFXXGAHJPHISAQ-GDLZYMKVSA-N	0	1	527.617	5.754	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(OC)c1	ZINC000009507136	553276021	/nfs/dbraw/zinc/27/60/21/553276021.db2.gz	XELXUCRCIVUNQJ-MHZLTWQESA-N	0	1	501.579	5.197	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccccc3s2)cc1	ZINC000009600897	553286190	/nfs/dbraw/zinc/28/61/90/553286190.db2.gz	YPRBGGORIUNKEU-NRFANRHFSA-N	0	1	504.951	5.519	50	30		KKEAMN
CCOC(=O)c1c(C)c(C(=O)OC)sc1/N=C/c1cc(Br)cc(Br)c1O	ZINC000009934822	553318158	/nfs/dbraw/zinc/31/81/58/553318158.db2.gz	RTYVXLPCRVVACU-IFRROFPPSA-N	0	1	505.184	5.001	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000009993828	553324207	/nfs/dbraw/zinc/32/42/07/553324207.db2.gz	OBHYGBNXBCAPDA-NDEPHWFRSA-N	0	1	534.697	5.382	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1C	ZINC000009994086	553324404	/nfs/dbraw/zinc/32/44/04/553324404.db2.gz	JWDOKLVGNAXZCM-DEOSSOPVSA-N	0	1	519.395	5.496	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1	ZINC000009994470	553324907	/nfs/dbraw/zinc/32/49/07/553324907.db2.gz	ZZJWAEKOFPZIFP-NDEPHWFRSA-N	0	1	532.681	5.158	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)c(C)c1	ZINC000009994535	553324920	/nfs/dbraw/zinc/32/49/20/553324920.db2.gz	PRCZXUPWFWUYGJ-XMMPIXPASA-N	0	1	519.395	5.496	50	30		KKEAMN
C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2ccc(OC)c(OC)c2OC)CC1	ZINC000012218057	553354375	/nfs/dbraw/zinc/35/43/75/553354375.db2.gz	VRFJAYQMYQLMNL-UHFFFAOYSA-N	0	1	529.106	5.815	50	30		KKEAMN
CCCc1ccc(O)c(/N=C/c2cc(I)cc(I)c2O)c1	ZINC000012353493	553359173	/nfs/dbraw/zinc/35/91/73/553359173.db2.gz	FTZRKSBCRGSGKI-DJKKODMXSA-N	0	1	507.109	5.010	50	30		KKEAMN
COc1ccccc1[C@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)Cc1cccs1	ZINC000012652410	553410040	/nfs/dbraw/zinc/41/00/40/553410040.db2.gz	DBOUWILPLQGQAT-ADSBAMQRSA-N	0	1	510.615	6.493	50	30		KKEAMN
COc1ccccc1[C@@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)c1ccc(C)cc1	ZINC000012652380	553410069	/nfs/dbraw/zinc/41/00/69/553410069.db2.gz	CPOJYNXPCLRADE-WKRVVKTRSA-N	0	1	504.586	6.811	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000013549851	553470192	/nfs/dbraw/zinc/47/01/92/553470192.db2.gz	QZIDPBQOHIFTGB-GDLZYMKVSA-N	0	1	527.661	6.486	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000013570117	553473621	/nfs/dbraw/zinc/47/36/21/553473621.db2.gz	KQKKUAMJLZTHJX-HHHXNRCGSA-N	0	1	509.562	5.353	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C	ZINC000013571759	553474097	/nfs/dbraw/zinc/47/40/97/553474097.db2.gz	VPXNQFSYLZRSIP-OAQYLSRUSA-N	0	1	522.554	5.033	50	30		KKEAMN
C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2cc3c(c(OC)c2)OCO3)CC1	ZINC000014990659	553523867	/nfs/dbraw/zinc/52/38/67/553523867.db2.gz	DIDGGILPXQCBLD-UHFFFAOYSA-N	0	1	513.063	5.527	50	30		KKEAMN
O=C(c1cccc2ccccc21)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccccc1	ZINC000016478240	553565831	/nfs/dbraw/zinc/56/58/31/553565831.db2.gz	XNQHANOJPICOGL-RBBQXQBVSA-N	0	1	510.593	7.647	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cccc(Br)c1	ZINC000016713762	553575389	/nfs/dbraw/zinc/57/53/89/553575389.db2.gz	RGDXFBKPZPKWMN-HSZRJFAPSA-N	0	1	516.432	5.407	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000016729979	553576038	/nfs/dbraw/zinc/57/60/38/553576038.db2.gz	WQOMZOBWYCOEJQ-NDEPHWFRSA-N	0	1	533.621	6.280	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(OCCCC)c(OC)c2)cc1	ZINC000016729973	553576098	/nfs/dbraw/zinc/57/60/98/553576098.db2.gz	YRHDKANVVZVZMN-YWEHKCAJSA-N	0	1	537.653	5.810	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000016729936	553576125	/nfs/dbraw/zinc/57/61/25/553576125.db2.gz	CSGVPFXMNVKXPH-LMSSTIIKSA-N	0	1	527.617	6.415	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000016734450	553578558	/nfs/dbraw/zinc/57/85/58/553578558.db2.gz	FJCUTZREIFCNPZ-GDLZYMKVSA-N	0	1	518.569	6.217	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000016737471	553579262	/nfs/dbraw/zinc/57/92/62/553579262.db2.gz	FEJIDIULBBLOFF-NDEPHWFRSA-N	0	1	520.541	5.424	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2ccncc2)cc1	ZINC000016741948	553579995	/nfs/dbraw/zinc/57/99/95/553579995.db2.gz	YWDZHEVFTYAQEH-SANMLTNESA-N	0	1	502.567	5.056	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000016805807	553583042	/nfs/dbraw/zinc/58/30/42/553583042.db2.gz	BAJJMBIHZJYKOS-MHZLTWQESA-N	0	1	515.562	6.382	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@H](c4cccc([N+](=O)[O-])c4)CC3=O)Nc3ccccc3N2C(C)=O)cc1OC	ZINC000017028939	553586771	/nfs/dbraw/zinc/58/67/71/553586771.db2.gz	VECBMELOEXSNLQ-AFJIDDCJSA-N	0	1	513.550	5.533	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@@H]2c2ccc(C(F)(F)F)cc2)C1	ZINC000017123840	553588412	/nfs/dbraw/zinc/58/84/12/553588412.db2.gz	RCQIMLFWBFTYMJ-MUUNZHRXSA-N	0	1	504.552	7.091	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc(Cl)c3)C2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000017138636	553588665	/nfs/dbraw/zinc/58/86/65/553588665.db2.gz	SKZVPBWBBAYSBV-PRAQEBQASA-N	0	1	517.025	6.668	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000070670143	553600625	/nfs/dbraw/zinc/60/06/25/553600625.db2.gz	RSJHOOMZERZSPH-NHRFMIRVSA-N	0	1	554.687	7.193	50	30	biogenic	KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1O[C@H](C)CC	ZINC000070673512	553603614	/nfs/dbraw/zinc/60/36/14/553603614.db2.gz	OPQAWJZBDQKYQD-XRIYFMNMSA-N	0	1	554.687	7.192	50	30		KKEAMN
Cc1ccc2c(c1)N(C(=O)c1cccs1)[C@H](c1ccc(F)cc1)C1C(=O)C[C@@H](c3ccccc3)CC1=N2	ZINC000018116070	553604755	/nfs/dbraw/zinc/60/47/55/553604755.db2.gz	OTKRUQXKDGIMET-SMSORMJASA-N	0	1	508.618	7.410	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(C)C)[C@H]3c2ccc(F)cc2)cc1OC	ZINC000018116340	553604759	/nfs/dbraw/zinc/60/47/59/553604759.db2.gz	VWPJLJBEVRWZLJ-DFXYEROKSA-N	0	1	514.597	6.400	50	30		KKEAMN
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3[C@@H]3O[C@]312	ZINC000070687692	553607305	/nfs/dbraw/zinc/60/73/05/553607305.db2.gz	HRHAUIBJENZANL-LLKWJGTMSA-N	0	1	535.128	5.572	50	30	biogenic	KKEAMN
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1	ZINC000070687821	553607587	/nfs/dbraw/zinc/60/75/87/553607587.db2.gz	XYVTWDNTBKSHPD-XFAFABORSA-N	0	1	536.663	5.199	50	30	biogenic	KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(F)c1	ZINC000018250745	553611523	/nfs/dbraw/zinc/61/15/23/553611523.db2.gz	BYKKQESTNQHJKV-HEIROHQZSA-N	0	1	512.625	7.315	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(F)c1	ZINC000018250748	553611551	/nfs/dbraw/zinc/61/15/51/553611551.db2.gz	BYKKQESTNQHJKV-UDNBHOFDSA-N	0	1	512.625	7.315	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000018250760	553611603	/nfs/dbraw/zinc/61/16/03/553611603.db2.gz	QPJFBALCNWJORW-UGDMGKLASA-N	0	1	527.596	7.215	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC34CC5CC(CC(C5)C3)C4)[C@H]2c2ccc(Cl)cc2)C1	ZINC000018285581	553612190	/nfs/dbraw/zinc/61/21/90/553612190.db2.gz	OGPGTLUQEZRCMR-UVZMICEWSA-N	0	1	530.112	7.635	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(C)C)[C@@H]3c2cccs2)cc1OC	ZINC000018284658	553612223	/nfs/dbraw/zinc/61/22/23/553612223.db2.gz	YIEXZJKFOWCLTR-HMILPKGGSA-N	0	1	502.636	6.322	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1OCC	ZINC000020518389	553668806	/nfs/dbraw/zinc/66/88/06/553668806.db2.gz	YNNHJFSZFGATNL-MMTVBGGISA-N	0	1	536.669	5.118	50	30		KKEAMN
C=C(C)COc1cccc([C@H](CC(=O)OC)c2c3oc(-c4ccccc4)cc(O)c-3c(O)c(O)c2=O)c1	ZINC000096221024	553730155	/nfs/dbraw/zinc/73/01/55/553730155.db2.gz	FDFJCJXRVCZZGY-FQEVSTJZSA-N	0	1	502.519	5.227	50	30	biogenic	KKEAMN
CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000096295716	553748327	/nfs/dbraw/zinc/74/83/27/553748327.db2.gz	YHBZXNNXEKIFGP-QHCPKHFHSA-N	0	1	524.415	5.101	50	30		KKEAMN
COc1cccc2cc(-c3n[nH]c(=S)n3N=Cc3ccc(OCc4ccc(Br)cc4)c(OC)c3)oc21	ZINC000097942995	553768208	/nfs/dbraw/zinc/76/82/08/553768208.db2.gz	IVKGKSSBZFIQLF-CCVNUDIWSA-N	0	1	565.449	6.595	50	30		KKEAMN
C#CC[NH2+]C1=C(/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)CC/C1=C\C=C1\N(CCCCS(=O)(=O)[O-])c2ccccc2C1(C)C	ZINC000097943418	553768566	/nfs/dbraw/zinc/76/85/66/553768566.db2.gz	YNKZQYLIDKIPBB-GBYGALLISA-O	0	1	732.989	6.834	50	30		KKEAMN
O=C(Cc1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1	ZINC000097945811	553774939	/nfs/dbraw/zinc/77/49/39/553774939.db2.gz	XIQMHGHIBKBPHS-GJBXTBEHSA-N	0	1	537.034	7.622	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)C1	ZINC000097947822	553788850	/nfs/dbraw/zinc/78/88/50/553788850.db2.gz	AKJDYZPIHUYHQC-PGUFJCEWSA-N	0	1	542.679	7.651	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl	ZINC000097948167	553791699	/nfs/dbraw/zinc/79/16/99/553791699.db2.gz	MSXXPQZWGAEBAC-ZWVRTZEQSA-N	0	1	555.162	9.118	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000097948636	553795542	/nfs/dbraw/zinc/79/55/42/553795542.db2.gz	LFDZYHZYPREMLE-XDCSYDRFSA-N	0	1	588.714	9.484	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000097948793	553796919	/nfs/dbraw/zinc/79/69/19/553796919.db2.gz	PJKNVXLENSAYFX-GHRAFVERSA-N	0	1	603.933	8.870	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1	ZINC000097951535	553809602	/nfs/dbraw/zinc/80/96/02/553809602.db2.gz	QSHGWWUEKKHDEQ-YTTGMZPUSA-N	0	1	547.780	9.063	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1	ZINC000097951659	553810541	/nfs/dbraw/zinc/81/05/41/553810541.db2.gz	BRQPPRMTOOAFGW-SSEXGKCCSA-N	0	1	521.717	8.885	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1	ZINC000097951818	553811422	/nfs/dbraw/zinc/81/14/22/553811422.db2.gz	OLPFXWUGYBEAGT-MHZLTWQESA-N	0	1	546.620	5.373	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccncc2)cc1	ZINC000097952297	553814697	/nfs/dbraw/zinc/81/46/97/553814697.db2.gz	XOMHHCNAOUPQFG-LJAQVGFWSA-N	0	1	548.595	5.534	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000097952290	553814708	/nfs/dbraw/zinc/81/47/08/553814708.db2.gz	OXRWTTSEIGGIOL-VWLOTQADSA-N	0	1	540.597	5.600	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000097952321	553815102	/nfs/dbraw/zinc/81/51/02/553815102.db2.gz	CUSPUYMNXFOWGB-MUUNZHRXSA-N	0	1	535.556	5.656	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(N(C)C)cc3)cc2)c1	ZINC000097952525	553816242	/nfs/dbraw/zinc/81/62/42/553816242.db2.gz	TZEBVDMXQUJKHK-PMERELPUSA-N	0	1	533.628	5.814	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000097952518	553816257	/nfs/dbraw/zinc/81/62/57/553816257.db2.gz	XKBOLMMSDLSLTR-HXUWFJFHSA-N	0	1	525.449	6.466	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(N(C)C)cc3)cc2)c1	ZINC000097952492	553816312	/nfs/dbraw/zinc/81/63/12/553816312.db2.gz	MJCPAUYBZBEOCZ-PMERELPUSA-N	0	1	533.628	5.814	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)cc2)c1	ZINC000097952600	553817004	/nfs/dbraw/zinc/81/70/04/553817004.db2.gz	MYQBOMBALJHAPM-PMERELPUSA-N	0	1	535.640	7.243	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000097952586	553817053	/nfs/dbraw/zinc/81/70/53/553817053.db2.gz	YGDWLQHLRDEHFA-GDLZYMKVSA-N	0	1	537.616	5.448	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000097952951	553818237	/nfs/dbraw/zinc/81/82/37/553818237.db2.gz	VNTWQRRUOZTRJB-SSEXGKCCSA-N	0	1	533.580	6.071	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(F)cc3)sc2c1	ZINC000097953030	553818961	/nfs/dbraw/zinc/81/89/61/553818961.db2.gz	UZUOAWMUNXDLLU-XMMPIXPASA-N	0	1	532.549	5.388	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000097953146	553819777	/nfs/dbraw/zinc/81/97/77/553819777.db2.gz	QAXHNZOVZZIWSA-LJAQVGFWSA-N	0	1	543.616	5.466	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097954006	553820572	/nfs/dbraw/zinc/82/05/72/553820572.db2.gz	ZMDCQHHISBEVJV-JRPXNJEYSA-N	0	1	532.596	5.763	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000097954148	553821621	/nfs/dbraw/zinc/82/16/21/553821621.db2.gz	MBAPXEGTLPWMMI-AFJIDDCJSA-N	0	1	545.632	6.349	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097954246	553822645	/nfs/dbraw/zinc/82/26/45/553822645.db2.gz	KEMIBBGCUJIMDQ-DFXYEROKSA-N	0	1	539.628	5.795	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000097954414	553822900	/nfs/dbraw/zinc/82/29/00/553822900.db2.gz	RAPSEPAVQXGILY-IIMAJNMQSA-N	0	1	541.644	6.366	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000097954418	553822921	/nfs/dbraw/zinc/82/29/21/553822921.db2.gz	NGPHFQTZCVUTGW-GDLZYMKVSA-N	0	1	539.584	5.963	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000097954738	553824932	/nfs/dbraw/zinc/82/49/32/553824932.db2.gz	UKODMAVGVHFVGM-JPQMRUPTSA-N	0	1	545.635	6.410	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O	ZINC000097955056	553827814	/nfs/dbraw/zinc/82/78/14/553827814.db2.gz	OUFQQDVSJKWBMO-OZAJXLCCSA-N	0	1	549.004	5.770	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C	ZINC000097955048	553827913	/nfs/dbraw/zinc/82/79/13/553827913.db2.gz	SYPFXUZTYMJRLX-SANMLTNESA-N	0	1	600.649	5.623	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097955060	553827961	/nfs/dbraw/zinc/82/79/61/553827961.db2.gz	COHFWDCMQFYUEK-ZLOXQWCVSA-N	0	1	537.424	6.709	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000097955066	553828031	/nfs/dbraw/zinc/82/80/31/553828031.db2.gz	CVIVALUQPFKQKY-VWLOTQADSA-N	0	1	606.653	5.146	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1	ZINC000097955091	553828340	/nfs/dbraw/zinc/82/83/40/553828340.db2.gz	KCWSQGLZNSUALN-JCQPUDPBSA-N	0	1	565.420	6.304	50	30		KKEAMN
COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000027527728	553831000	/nfs/dbraw/zinc/83/10/00/553831000.db2.gz	OEWLKHQDFSOBIA-NRFANRHFSA-N	0	1	509.312	5.149	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1	ZINC000097955606	553832085	/nfs/dbraw/zinc/83/20/85/553832085.db2.gz	CQVJWPJZRJXPRD-ZAMGYDSWSA-N	0	1	531.521	5.450	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000097955781	553833834	/nfs/dbraw/zinc/83/38/34/553833834.db2.gz	PCOKUXMMQZWNFL-MHZLTWQESA-N	0	1	591.085	7.073	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2nccs2)cc(Br)c1O	ZINC000027662442	553836186	/nfs/dbraw/zinc/83/61/86/553836186.db2.gz	IERPDQFZFPZHBQ-GOSISDBHSA-N	0	1	515.385	5.020	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000097956571	553839903	/nfs/dbraw/zinc/83/99/03/553839903.db2.gz	JOYRKHIDEAISSM-MBXDFBHOSA-N	0	1	680.754	6.961	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000097956855	553842594	/nfs/dbraw/zinc/84/25/94/553842594.db2.gz	JZRDQESCVFJUJN-QHCPKHFHSA-N	0	1	566.632	5.135	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000097956871	553843041	/nfs/dbraw/zinc/84/30/41/553843041.db2.gz	YCKFQEXNUSIDSH-OAQYLSRUSA-N	0	1	532.599	5.875	50	30		KKEAMN
O=C(Nc1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1)c1ccc(Cl)cc1Cl	ZINC000097958830	553858093	/nfs/dbraw/zinc/85/80/93/553858093.db2.gz	FKIABRDPXZMPFJ-KIBLKLHPSA-N	0	1	543.042	7.227	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	ZINC000097959399	553863376	/nfs/dbraw/zinc/86/33/76/553863376.db2.gz	WKKFGKWBGNWVIW-UUWRZZSWSA-N	0	1	552.715	7.998	50	30		KKEAMN
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C2/NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)o1	ZINC000097959786	553866118	/nfs/dbraw/zinc/86/61/18/553866118.db2.gz	CDJLXHMGTRYBFE-HDNNTFNPSA-N	0	1	537.617	5.920	50	30		KKEAMN
COc1ccc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccc(F)cc4)CC(=O)C3[C@H]2c2ccccc2Cl)cc1	ZINC000097960023	553867674	/nfs/dbraw/zinc/86/76/74/553867674.db2.gz	JKFZVNAGYLWBEU-GHRAFVERSA-N	0	1	553.033	7.702	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000097966781	553910422	/nfs/dbraw/zinc/91/04/22/553910422.db2.gz	MXNCAJFVHYLHDN-MUUNZHRXSA-N	0	1	535.556	5.656	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000097966803	553910462	/nfs/dbraw/zinc/91/04/62/553910462.db2.gz	SZSIFYPSIFGBMB-YTTGMZPUSA-N	0	1	600.712	5.282	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1OC	ZINC000097966848	553911109	/nfs/dbraw/zinc/91/11/09/553911109.db2.gz	KWBNTNDZSRDPQX-SANMLTNESA-N	0	1	557.628	5.534	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1OC	ZINC000097966849	553911129	/nfs/dbraw/zinc/91/11/29/553911129.db2.gz	KWBNTNDZSRDPQX-AREMUKBSSA-N	0	1	557.628	5.534	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000097966912	553911974	/nfs/dbraw/zinc/91/19/74/553911974.db2.gz	KKOGUFSYQHZRAV-NRFANRHFSA-N	0	1	555.837	6.504	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000097966942	553912270	/nfs/dbraw/zinc/91/22/70/553912270.db2.gz	IGXSYVDZQNPKES-SSEXGKCCSA-N	0	1	550.611	5.765	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1	ZINC000097967225	553915346	/nfs/dbraw/zinc/91/53/46/553915346.db2.gz	GMNSEKBCGPBUBL-PMERELPUSA-N	0	1	661.519	10.271	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1OCC	ZINC000097967203	553915389	/nfs/dbraw/zinc/91/53/89/553915389.db2.gz	PFNXADBMZQSIJS-FWUCURJTSA-N	0	1	592.733	5.278	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097967264	553915701	/nfs/dbraw/zinc/91/57/01/553915701.db2.gz	UCUBHESGQFBZIC-QLXKLKPCSA-N	0	1	620.152	6.989	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000097967252	553915709	/nfs/dbraw/zinc/91/57/09/553915709.db2.gz	AMFKYVYYCPCWAM-JGCGQSQUSA-N	0	1	577.633	5.866	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000097967444	553918519	/nfs/dbraw/zinc/91/85/19/553918519.db2.gz	GAAUQLCHNSTAKL-GKVSMKOHSA-N	0	1	599.690	5.723	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000097967577	553920228	/nfs/dbraw/zinc/92/02/28/553920228.db2.gz	DZIAGLHPKDBBAD-GDLZYMKVSA-N	0	1	670.740	6.490	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)cc2)nc1C	ZINC000097967648	553921450	/nfs/dbraw/zinc/92/14/50/553921450.db2.gz	ZCDPOBMWERKMFB-HHHXNRCGSA-N	0	1	596.661	6.170	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000097967702	553921979	/nfs/dbraw/zinc/92/19/79/553921979.db2.gz	AUDIOSAGIXFCJF-JCOAXYOVSA-N	0	1	706.286	8.558	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000097967756	553922634	/nfs/dbraw/zinc/92/26/34/553922634.db2.gz	PBIQVNCYQYZJOX-RUZDIDTESA-N	0	1	563.031	6.293	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097967752	553922673	/nfs/dbraw/zinc/92/26/73/553922673.db2.gz	SLHVHCHXIFFGPA-WTYVLRPYSA-N	0	1	611.745	6.810	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1	ZINC000097967853	553923976	/nfs/dbraw/zinc/92/39/76/553923976.db2.gz	NXCVWUZIHWXKHL-JGCGQSQUSA-N	0	1	693.803	7.362	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000097967912	553924870	/nfs/dbraw/zinc/92/48/70/553924870.db2.gz	MUKSVNQJAXTHKC-QHCPKHFHSA-N	0	1	561.616	5.524	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097967894	553924911	/nfs/dbraw/zinc/92/49/11/553924911.db2.gz	GWXTVVNYTLHPRU-AREMUKBSSA-N	0	1	668.580	7.256	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)s2)cc1	ZINC000097967976	553925829	/nfs/dbraw/zinc/92/58/29/553925829.db2.gz	OTYBYXGVVCOPAN-GDLZYMKVSA-N	0	1	643.787	7.118	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097968040	553926543	/nfs/dbraw/zinc/92/65/43/553926543.db2.gz	AKYFCUBNBJYFRR-GDLZYMKVSA-N	0	1	657.770	6.656	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097968018	553926615	/nfs/dbraw/zinc/92/66/15/553926615.db2.gz	RGPSHWFMFVTCSE-MHZLTWQESA-N	0	1	650.178	7.217	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cc(OC)c(OC)c(OC)c3)C2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000033353776	553927115	/nfs/dbraw/zinc/92/71/15/553927115.db2.gz	BLGRVSHUXLXVHX-QTYPKTMWSA-N	0	1	572.658	6.040	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000097968095	553927489	/nfs/dbraw/zinc/92/74/89/553927489.db2.gz	GEWMAJFXGGTLMA-MHZLTWQESA-N	0	1	628.131	7.191	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000097968085	553927530	/nfs/dbraw/zinc/92/75/30/553927530.db2.gz	GXUYAEXIFBNZOC-DEOSSOPVSA-N	0	1	619.652	5.310	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097968083	553927544	/nfs/dbraw/zinc/92/75/44/553927544.db2.gz	UKHGXKHOUXSLLH-SANMLTNESA-N	0	1	601.706	6.173	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097968131	553928015	/nfs/dbraw/zinc/92/80/15/553928015.db2.gz	XYEGYXVKEGNKHV-NDEPHWFRSA-N	0	1	680.204	7.225	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1	ZINC000097968122	553928033	/nfs/dbraw/zinc/92/80/33/553928033.db2.gz	MNIUILGNVNXFSA-MGBGTMOVSA-N	0	1	707.830	7.671	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000097968208	553929065	/nfs/dbraw/zinc/92/90/65/553929065.db2.gz	ZKVPKAHBVFMIKX-MGBGTMOVSA-N	0	1	709.846	8.115	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097968216	553929115	/nfs/dbraw/zinc/92/91/15/553929115.db2.gz	RPTUOCPKZWPEEX-MUUNZHRXSA-N	0	1	698.650	8.260	50	30		KKEAMN
O=[N+]([O-])c1ccc(N=NCc2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c(S(=O)(=O)N2CCC(c3ccccc3)CC2)c1	ZINC000033354335	553929167	/nfs/dbraw/zinc/92/91/67/553929167.db2.gz	YUWXBJBTLMJOCC-UZWMFBFFSA-N	0	1	674.786	7.278	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000097968260	553929583	/nfs/dbraw/zinc/92/95/83/553929583.db2.gz	NAYYPMLARVEMPN-MUUNZHRXSA-N	0	1	680.204	7.225	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000097968232	553929652	/nfs/dbraw/zinc/92/96/52/553929652.db2.gz	IOCMNPPNCPEVOZ-XMMPIXPASA-N	0	1	591.642	5.532	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097968293	553929881	/nfs/dbraw/zinc/92/98/81/553929881.db2.gz	KTIMJXXFBLDIER-AREMUKBSSA-N	0	1	634.135	6.603	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097968281	553929935	/nfs/dbraw/zinc/92/99/35/553929935.db2.gz	HSFXQUUUUVSLAU-MUUNZHRXSA-N	0	1	647.750	6.949	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000097968287	553930140	/nfs/dbraw/zinc/93/01/40/553930140.db2.gz	HEPIOCKASUSLLO-XMMPIXPASA-N	0	1	636.107	5.825	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2	ZINC000097968328	553930732	/nfs/dbraw/zinc/93/07/32/553930732.db2.gz	NSGKPDXQAUPSFC-QHCPKHFHSA-N	0	1	594.070	5.744	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097968335	553930766	/nfs/dbraw/zinc/93/07/66/553930766.db2.gz	SNGGSHYCESCDAU-SHACYNPGSA-N	0	1	644.989	7.897	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097968332	553930840	/nfs/dbraw/zinc/93/08/40/553930840.db2.gz	FPVZOGFJPSNJQB-LJAQVGFWSA-N	0	1	659.786	6.880	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000097968374	553931369	/nfs/dbraw/zinc/93/13/69/553931369.db2.gz	WJOFJUSIWLHHAV-ADSBAMQRSA-N	0	1	726.704	8.821	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)c(Br)c2)cc1	ZINC000033354873	553931942	/nfs/dbraw/zinc/93/19/42/553931942.db2.gz	OFPSPPPCWWWDFA-JOCHJYFZSA-N	0	1	540.797	5.980	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000097968393	553932042	/nfs/dbraw/zinc/93/20/42/553932042.db2.gz	ZFDHVNXXVPOGMI-KWMCUTETSA-N	0	1	609.704	7.229	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@H]2c2cccc(Br)c2)cc(OC)c1OC	ZINC000033355182	553933467	/nfs/dbraw/zinc/93/34/67/553933467.db2.gz	GDWRRQJYZYAPDD-FLASPHMUSA-N	0	1	639.546	7.689	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000097969061	553936202	/nfs/dbraw/zinc/93/62/02/553936202.db2.gz	ICXSCHWZKFDWNT-QFIPXVFZSA-N	0	1	551.418	5.859	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C	ZINC000097969053	553936271	/nfs/dbraw/zinc/93/62/71/553936271.db2.gz	WXPSUKSXZMXJDP-AREMUKBSSA-N	0	1	561.506	5.637	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000097969118	553936634	/nfs/dbraw/zinc/93/66/34/553936634.db2.gz	NNTGAVYNNWRASO-WJOKGBTCSA-N	0	1	570.686	5.273	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000097969189	553937977	/nfs/dbraw/zinc/93/79/77/553937977.db2.gz	WFYJULAQFDODCZ-HAWMADMCSA-N	0	1	577.058	6.463	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)s2)cc1	ZINC000097969299	553939214	/nfs/dbraw/zinc/93/92/14/553939214.db2.gz	ZBWYUCRNHVOJPS-SSOJOUAXSA-N	0	1	573.671	6.384	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097969284	553939300	/nfs/dbraw/zinc/93/93/00/553939300.db2.gz	ZSFREEOKHPESSI-XRHLQHRESA-N	0	1	632.163	7.155	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1	ZINC000097969303	553939362	/nfs/dbraw/zinc/93/93/62/553939362.db2.gz	IYRWEOCMHHKBJK-KKIUXKEOSA-N	0	1	639.129	7.644	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097969295	553939475	/nfs/dbraw/zinc/93/94/75/553939475.db2.gz	WUUBQBIYFDFACY-PIIWDFAUSA-N	0	1	613.761	7.116	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1	ZINC000097969362	553940167	/nfs/dbraw/zinc/94/01/67/553940167.db2.gz	VUOXJNAFLMSOLU-JCQPUDPBSA-N	0	1	581.875	6.819	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(Br)cc1	ZINC000097969475	553941529	/nfs/dbraw/zinc/94/15/29/553941529.db2.gz	WMPSTARILJXKMD-SANMLTNESA-N	0	1	550.449	5.951	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000097969532	553941895	/nfs/dbraw/zinc/94/18/95/553941895.db2.gz	GRHXUZGHDYYOQO-JGCGQSQUSA-N	0	1	660.748	8.091	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000097969536	553941941	/nfs/dbraw/zinc/94/19/41/553941941.db2.gz	VGZMDPAGXGHGCR-SANMLTNESA-N	0	1	561.506	5.637	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Br)cc1	ZINC000097969549	553942184	/nfs/dbraw/zinc/94/21/84/553942184.db2.gz	OQRAPYFQJBVQRM-PMERELPUSA-N	0	1	627.620	9.417	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097969796	553944904	/nfs/dbraw/zinc/94/49/04/553944904.db2.gz	YHCBRCGWUKOMAX-WRONEBCDSA-N	0	1	645.778	7.645	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097969780	553945109	/nfs/dbraw/zinc/94/51/09/553945109.db2.gz	MURYTZLSDOZNHE-NHRFMIRVSA-N	0	1	677.848	8.515	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097969832	553945572	/nfs/dbraw/zinc/94/55/72/553945572.db2.gz	DXDSHLHFSQDNSQ-CLYVBNDRSA-N	0	1	617.724	6.865	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097969861	553945896	/nfs/dbraw/zinc/94/58/96/553945896.db2.gz	HMFOROSSGMGAEQ-GDJIYFAZSA-N	0	1	629.760	6.734	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097969839	553945907	/nfs/dbraw/zinc/94/59/07/553945907.db2.gz	KXGYQRZJBARZSK-JMQGSBJISA-N	0	1	682.651	8.422	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000097969870	553946575	/nfs/dbraw/zinc/94/65/75/553946575.db2.gz	NPFCICMACHFHJY-HKBQPEDESA-N	0	1	552.199	9.708	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000097969897	553946597	/nfs/dbraw/zinc/94/65/97/553946597.db2.gz	PXQLJGLLPHLVNG-UULLZXFKSA-N	0	1	605.112	7.244	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2ccncc2)cc1OC	ZINC000097969917	553946986	/nfs/dbraw/zinc/94/69/86/553946986.db2.gz	DECNLRJXCRJBOW-PMERELPUSA-N	0	1	550.611	5.765	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097969958	553947254	/nfs/dbraw/zinc/94/72/54/553947254.db2.gz	MVASUSTXHAGVKS-WRONEBCDSA-N	0	1	643.787	7.124	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000097970060	553949027	/nfs/dbraw/zinc/94/90/27/553949027.db2.gz	NNCXIDOEKGINQL-WXTAPIANSA-N	0	1	613.717	6.032	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C	ZINC000097970163	553950497	/nfs/dbraw/zinc/95/04/97/553950497.db2.gz	VKGAEKLAXDFNPT-UKPGIYTDSA-N	0	1	689.831	7.899	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1	ZINC000097970298	553952013	/nfs/dbraw/zinc/95/20/13/553952013.db2.gz	CYHPWIIOKUJGLE-NHRFMIRVSA-N	0	1	691.831	7.914	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097970301	553952125	/nfs/dbraw/zinc/95/21/25/553952125.db2.gz	SLPZXFOCVZWNEF-ACSYHNTCSA-N	0	1	645.778	7.501	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000097970279	553952158	/nfs/dbraw/zinc/95/21/58/553952158.db2.gz	YLDPHRORZTYZJW-PUAOIOHZSA-N	0	1	606.125	6.599	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000097970303	553952578	/nfs/dbraw/zinc/95/25/78/553952578.db2.gz	OHNPKJGVLJIHBL-CPJLOUKISA-N	0	1	617.680	5.862	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000097970397	553953222	/nfs/dbraw/zinc/95/32/22/553953222.db2.gz	VOAKPGBMCMJGTG-PMERELPUSA-N	0	1	557.643	5.712	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000097970374	553953377	/nfs/dbraw/zinc/95/33/77/553953377.db2.gz	CKDKCWQVUZDYDI-AREMUKBSSA-N	0	1	604.637	5.275	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000097970456	553954060	/nfs/dbraw/zinc/95/40/60/553954060.db2.gz	DVZQKZSZJCBIRD-JGCGQSQUSA-N	0	1	563.779	8.763	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000097970488	553954880	/nfs/dbraw/zinc/95/48/80/553954880.db2.gz	MCUHKIKQXSIJSQ-ULKXQASOSA-N	0	1	693.847	8.277	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1	ZINC000097970507	553955053	/nfs/dbraw/zinc/95/50/53/553955053.db2.gz	KMFMJBVZHCWPCZ-NDEPHWFRSA-N	0	1	642.686	5.770	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000097970561	553955875	/nfs/dbraw/zinc/95/58/75/553955875.db2.gz	WVZLPLTUQGKEBL-SSEXGKCCSA-N	0	1	550.611	5.765	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000097970560	553955967	/nfs/dbraw/zinc/95/59/67/553955967.db2.gz	WVZLPLTUQGKEBL-PMERELPUSA-N	0	1	550.611	5.765	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000097970632	553956669	/nfs/dbraw/zinc/95/66/69/553956669.db2.gz	VXGNNTJHKOGTDX-YRVHBCJASA-N	0	1	619.139	7.634	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C	ZINC000097970707	553957896	/nfs/dbraw/zinc/95/78/96/553957896.db2.gz	WZILWEGIYCJNJB-DEOSSOPVSA-N	0	1	578.643	5.217	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(N(C)C)cc1	ZINC000097970745	553958233	/nfs/dbraw/zinc/95/82/33/553958233.db2.gz	NSVDDOQDFUMKQT-JGCGQSQUSA-N	0	1	581.241	9.466	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C	ZINC000097970747	553958328	/nfs/dbraw/zinc/95/83/28/553958328.db2.gz	PWYZTXOLDASBGL-WKRVVKTRSA-N	0	1	671.841	7.760	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000097970895	553959281	/nfs/dbraw/zinc/95/92/81/553959281.db2.gz	QZZXOJKQLQKOKP-YTTGMZPUSA-N	0	1	598.224	9.417	50	30		KKEAMN
CCCCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)C(=O)NC2=S)cc1	ZINC000097970982	553960226	/nfs/dbraw/zinc/96/02/26/553960226.db2.gz	PRTWCIJTMLJKBF-JLPGSUDCSA-N	0	1	542.730	6.920	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C	ZINC000097970989	553960283	/nfs/dbraw/zinc/96/02/83/553960283.db2.gz	VRVOQYBJOKTFLX-GDLZYMKVSA-N	0	1	640.714	6.569	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C	ZINC000097970990	553960319	/nfs/dbraw/zinc/96/03/19/553960319.db2.gz	VRVOQYBJOKTFLX-LJAQVGFWSA-N	0	1	640.714	6.569	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000097971013	553960509	/nfs/dbraw/zinc/96/05/09/553960509.db2.gz	QSVVUXYLIFCXQN-NHRFMIRVSA-N	0	1	575.661	6.766	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1	ZINC000097971021	553960561	/nfs/dbraw/zinc/96/05/61/553960561.db2.gz	QCJYYMFPYGRORH-GHRAFVERSA-N	0	1	576.649	6.161	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1	ZINC000097999746	554045685	/nfs/dbraw/zinc/04/56/85/554045685.db2.gz	KVFGNMQCZMIODP-SNFDCCKOSA-N	0	1	649.187	8.637	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1	ZINC000097999801	554045919	/nfs/dbraw/zinc/04/59/19/554045919.db2.gz	CEZRSJBMXRYZSG-FEERPNRMSA-N	0	1	677.119	8.789	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1	ZINC000097999796	554045952	/nfs/dbraw/zinc/04/59/52/554045952.db2.gz	RTCUDCAEILXUHW-ZMQZVXGPSA-N	0	1	775.298	9.567	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1	ZINC000097999802	554045979	/nfs/dbraw/zinc/04/59/79/554045979.db2.gz	CEZRSJBMXRYZSG-YQPGIBNTSA-N	0	1	677.119	8.789	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1	ZINC000097999808	554046217	/nfs/dbraw/zinc/04/62/17/554046217.db2.gz	PJFQQNJBNZRYTK-AYAMJOBCSA-N	0	1	623.149	8.247	50	30		KKEAMN
O=C(c1ccc(Cl)c(Cl)c1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000098000319	554050204	/nfs/dbraw/zinc/05/02/04/554050204.db2.gz	ZONZGPCOAPCOMI-ADXZGYQBSA-N	0	1	563.868	8.454	50	30		KKEAMN
O=C(c1ccc(Cl)c(Cl)c1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000098000320	554050325	/nfs/dbraw/zinc/05/03/25/554050325.db2.gz	ZONZGPCOAPCOMI-SONOPUAISA-N	0	1	563.868	8.454	50	30		KKEAMN
Cc1cc(Br)c(Nc2nc(=NN=Cc3ccc(Br)c([N+](=O)[O-])c3)nc(N3CCOCC3)[nH]2)cc1Cl	ZINC000098002754	554054543	/nfs/dbraw/zinc/05/45/43/554054543.db2.gz	RCHZZCZJXWPCTI-OPEKNORGSA-N	0	1	626.697	5.293	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	ZINC000098003654	554055793	/nfs/dbraw/zinc/05/57/93/554055793.db2.gz	BMXZJXFLGGNFJG-KSXAPKRDSA-N	0	1	689.639	10.186	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]3c2cccs2)cc1	ZINC000098042803	554122385	/nfs/dbraw/zinc/12/23/85/554122385.db2.gz	XOIXFHGRDIXCQX-WRGVRERRSA-N	0	1	575.517	8.278	50	30		KKEAMN
COc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3cc(C(=O)c4ccccc4)ccc3N2C(C)=O)cc(OC)c1OC	ZINC000098045116	554130883	/nfs/dbraw/zinc/13/08/83/554130883.db2.gz	NQMXDOJFHFCBJI-PMERELPUSA-N	0	1	554.643	6.106	50	30		KKEAMN
O=C(c1ccc(Cl)cc1)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000098045527	554132170	/nfs/dbraw/zinc/13/21/70/554132170.db2.gz	YBNBMNSKFYNOGI-JPZYQRIQSA-N	0	1	568.004	7.602	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000098046308	554137660	/nfs/dbraw/zinc/13/76/60/554137660.db2.gz	KNUUPTHSUMEBOE-XMMPIXPASA-N	0	1	578.643	5.302	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000098046455	554139290	/nfs/dbraw/zinc/13/92/90/554139290.db2.gz	NISNDFHUVRXLRA-VWLOTQADSA-N	0	1	636.593	7.555	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000098046454	554139389	/nfs/dbraw/zinc/13/93/89/554139389.db2.gz	NISNDFHUVRXLRA-RUZDIDTESA-N	0	1	636.593	7.555	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F	ZINC000098046492	554139763	/nfs/dbraw/zinc/13/97/63/554139763.db2.gz	UXTFAYKPPMMVNU-SSEXGKCCSA-N	0	1	669.756	7.349	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(F)c2)cc1	ZINC000098046488	554139772	/nfs/dbraw/zinc/13/97/72/554139772.db2.gz	OUQOFPSDJZHCRF-RUZDIDTESA-N	0	1	593.677	7.070	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000098046539	554140363	/nfs/dbraw/zinc/14/03/63/554140363.db2.gz	DLPCQUBJVZMJOC-HHHXNRCGSA-N	0	1	615.708	7.678	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C	ZINC000098046583	554141155	/nfs/dbraw/zinc/14/11/55/554141155.db2.gz	GEQQOGRSQWIKER-MUUNZHRXSA-N	0	1	544.604	5.065	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4cccc(OC)c4o3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000098046641	554142016	/nfs/dbraw/zinc/14/20/16/554142016.db2.gz	AVNKWCGFJKKTJX-LJQANCHMSA-N	0	1	538.965	5.429	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(Br)cc3)cc2)c1	ZINC000098046686	554142359	/nfs/dbraw/zinc/14/23/59/554142359.db2.gz	WWNGGSCPPQLHRM-DEOSSOPVSA-N	0	1	561.457	6.576	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047231	554147944	/nfs/dbraw/zinc/14/79/44/554147944.db2.gz	FVAKIRMXJJQDCQ-GDLZYMKVSA-N	0	1	625.747	8.003	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047235	554148032	/nfs/dbraw/zinc/14/80/32/554148032.db2.gz	JKHVVQXWTISFGP-SSEXGKCCSA-N	0	1	639.774	8.393	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1F	ZINC000098047241	554148307	/nfs/dbraw/zinc/14/83/07/554148307.db2.gz	UMQRQJREORCZEH-AREMUKBSSA-N	0	1	612.664	7.122	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C	ZINC000098047298	554148900	/nfs/dbraw/zinc/14/89/00/554148900.db2.gz	BYOCFQJZYXEORY-SANMLTNESA-N	0	1	613.648	6.207	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000098047306	554149200	/nfs/dbraw/zinc/14/92/00/554149200.db2.gz	PYXXIYCIDUVMRH-MHZLTWQESA-N	0	1	617.749	6.809	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000098047314	554149216	/nfs/dbraw/zinc/14/92/16/554149216.db2.gz	VJHPIFPIJNCIFI-NDEPHWFRSA-N	0	1	643.693	7.692	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C(C)C)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000098047386	554150015	/nfs/dbraw/zinc/15/00/15/554150015.db2.gz	JXPCWJMFPKAQNJ-HSZRJFAPSA-N	0	1	567.664	5.649	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000098047372	554150144	/nfs/dbraw/zinc/15/01/44/554150144.db2.gz	YMIDIKFVPBSSHO-AREMUKBSSA-N	0	1	587.723	6.801	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000098047414	554150424	/nfs/dbraw/zinc/15/04/24/554150424.db2.gz	XMNDPRDONUHHRN-JGCGQSQUSA-N	0	1	698.266	9.025	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000098047410	554150460	/nfs/dbraw/zinc/15/04/60/554150460.db2.gz	VKVLTUICXKWTJV-SSEXGKCCSA-N	0	1	643.831	8.361	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCCC)cc2)cc1	ZINC000098047432	554150952	/nfs/dbraw/zinc/15/09/52/554150952.db2.gz	DZGRNIGFWOHFPH-MUUNZHRXSA-N	0	1	650.222	8.234	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCCC)cc2)cc1	ZINC000098047420	554150980	/nfs/dbraw/zinc/15/09/80/554150980.db2.gz	HHLJAFVNDMXFRF-MUUNZHRXSA-N	0	1	633.767	7.720	50	30		KKEAMN
CCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC	ZINC000098047455	554151295	/nfs/dbraw/zinc/15/12/95/554151295.db2.gz	FBZIBTFUBNXPCM-XIFFEERXSA-N	0	1	701.911	9.068	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCCC)cc2)cc1	ZINC000098047485	554151877	/nfs/dbraw/zinc/15/18/77/554151877.db2.gz	PBUITCZRCMXHQR-MUUNZHRXSA-N	0	1	650.222	8.234	50	30		KKEAMN
CCCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OC	ZINC000098047481	554151905	/nfs/dbraw/zinc/15/19/05/554151905.db2.gz	WMYFXNXFCQUDBJ-MGBGTMOVSA-N	0	1	736.356	9.803	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000098047534	554152122	/nfs/dbraw/zinc/15/21/22/554152122.db2.gz	ORLQDWFIOWNCGN-XMMPIXPASA-N	0	1	630.550	7.766	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000098047526	554152287	/nfs/dbraw/zinc/15/22/87/554152287.db2.gz	OFCCOXSNGPHSMG-HHHXNRCGSA-N	0	1	622.740	6.633	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000098047539	554152326	/nfs/dbraw/zinc/15/23/26/554152326.db2.gz	ZAAKNRNBOLDEDW-NDEPHWFRSA-N	0	1	644.149	8.507	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCCCC)c(OCC)c2)nc1C	ZINC000098047544	554152589	/nfs/dbraw/zinc/15/25/89/554152589.db2.gz	AQLDCGUHBRATAE-PMERELPUSA-N	0	1	662.805	7.724	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000098047561	554152699	/nfs/dbraw/zinc/15/26/99/554152699.db2.gz	DJRTVLGHENFYLA-XMMPIXPASA-N	0	1	593.658	6.134	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1	ZINC000098047547	554152705	/nfs/dbraw/zinc/15/27/05/554152705.db2.gz	OBFBNFKSZXOQDR-WJOKGBTCSA-N	0	1	673.857	8.370	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccccc2F)cc1	ZINC000098047598	554152964	/nfs/dbraw/zinc/15/29/64/554152964.db2.gz	LUIFKGVYLKJAEU-SANMLTNESA-N	0	1	589.714	7.240	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000098047641	554154018	/nfs/dbraw/zinc/15/40/18/554154018.db2.gz	OBVZEYXEULFPBA-HHHXNRCGSA-N	0	1	652.194	7.463	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc(Br)c2)cc1Cl	ZINC000098047688	554154381	/nfs/dbraw/zinc/15/43/81/554154381.db2.gz	NQWROGBZDQLMPB-QFIPXVFZSA-N	0	1	536.850	5.895	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(N(C)C)cc2)cc1F	ZINC000098047719	554154751	/nfs/dbraw/zinc/15/47/51/554154751.db2.gz	HCPMZPNPQLYOHC-MUUNZHRXSA-N	0	1	626.735	6.980	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccs2)cc1F	ZINC000098047711	554154790	/nfs/dbraw/zinc/15/47/90/554154790.db2.gz	AYTRPYQBOATZOY-XMMPIXPASA-N	0	1	589.695	6.976	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047722	554154908	/nfs/dbraw/zinc/15/49/08/554154908.db2.gz	CTLFIHCIURAWPV-HKBQPEDESA-N	0	1	669.800	8.483	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(Br)cc2)cc1F	ZINC000098047708	554155064	/nfs/dbraw/zinc/15/50/64/554155064.db2.gz	PPTBYCPLYOCZSN-SANMLTNESA-N	0	1	646.563	7.977	50	30		KKEAMN
Cc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047747	554155315	/nfs/dbraw/zinc/15/53/15/554155315.db2.gz	XXRCWPLVGDLVSB-HHHXNRCGSA-N	0	1	581.694	7.522	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC	ZINC000098047760	554155757	/nfs/dbraw/zinc/15/57/57/554155757.db2.gz	ZFIYFIDOAUZUTP-YTTGMZPUSA-N	0	1	697.835	7.971	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(F)cc2)cc1OC	ZINC000098047771	554155796	/nfs/dbraw/zinc/15/57/96/554155796.db2.gz	IZININIDGFGRJG-HHHXNRCGSA-N	0	1	613.692	6.923	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000098047764	554155854	/nfs/dbraw/zinc/15/58/54/554155854.db2.gz	XHZOAYXLHNQCDF-MHZLTWQESA-N	0	1	640.699	6.692	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(O)c2)cc1OC	ZINC000098047780	554155863	/nfs/dbraw/zinc/15/58/63/554155863.db2.gz	JMFNYPQAGNPFCV-MHZLTWQESA-N	0	1	611.701	6.489	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C)cc2)cc1OC	ZINC000098047801	554156167	/nfs/dbraw/zinc/15/61/67/554156167.db2.gz	ZYMSPJCCUCLJJE-MUUNZHRXSA-N	0	1	609.729	7.092	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC	ZINC000098047799	554156212	/nfs/dbraw/zinc/15/62/12/554156212.db2.gz	IZHKRGDXJZWTMQ-SSEXGKCCSA-N	0	1	669.781	7.191	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047832	554156671	/nfs/dbraw/zinc/15/66/71/554156671.db2.gz	FPSINOFPDVOUPT-MHZLTWQESA-N	0	1	625.703	7.001	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047831	554156776	/nfs/dbraw/zinc/15/67/76/554156776.db2.gz	FPSINOFPDVOUPT-HHHXNRCGSA-N	0	1	625.703	7.001	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098048934	554162305	/nfs/dbraw/zinc/16/23/05/554162305.db2.gz	XQUIVIWJFLGRJN-GDLZYMKVSA-N	0	1	676.845	8.597	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)cc1C	ZINC000098050341	554174110	/nfs/dbraw/zinc/17/41/10/554174110.db2.gz	DHSSBTFWRICZOS-NRFANRHFSA-N	0	1	539.009	5.548	50	30		KKEAMN
CCCCC1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2ccc(OC)cc2)C1=O	ZINC000036093501	554177672	/nfs/dbraw/zinc/17/76/72/554177672.db2.gz	KFKKKQBDOZDTGA-IZNZCJHFSA-N	0	1	504.450	5.491	50	30		KKEAMN
Cc1cccc(C)c1NC(=O)CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2s1	ZINC000100053084	554195127	/nfs/dbraw/zinc/19/51/27/554195127.db2.gz	MRCZNDSNFGBBLN-LUOAPIJWSA-N	0	1	605.377	7.625	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)C=Cc2ccccc2)cc1	ZINC000100109998	554221155	/nfs/dbraw/zinc/22/11/55/554221155.db2.gz	DAYVAWMIUVUNQJ-BSMMNNHSSA-N	0	1	610.754	8.385	50	30		KKEAMN
COc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2ccccc2OC)cc1	ZINC000100142998	554229182	/nfs/dbraw/zinc/22/91/82/554229182.db2.gz	TZQBKHSQDKKAEH-QJWGWKRISA-N	0	1	535.600	6.903	50	30		KKEAMN
CCCCCOc1ccc(/N=C2/c3ccccc3N(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1	ZINC000100174416	554240132	/nfs/dbraw/zinc/24/01/32/554240132.db2.gz	KVQJYRKRDXXHAS-DIGXQUICSA-N	0	1	572.753	7.088	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1	ZINC000038205355	554274337	/nfs/dbraw/zinc/27/43/37/554274337.db2.gz	JWAWBNWTSUPJDF-BNAYCWRJSA-N	0	1	505.611	5.336	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000100340482	554324908	/nfs/dbraw/zinc/32/49/08/554324908.db2.gz	PVKFRVADIZVEJR-MRJHHRETSA-N	0	1	532.312	6.103	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000049918056	554327111	/nfs/dbraw/zinc/32/71/11/554327111.db2.gz	SXKFJWGUZMQKMG-GOXGLGGOSA-N	0	1	546.598	6.827	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000053290098	554331210	/nfs/dbraw/zinc/33/12/10/554331210.db2.gz	OYGFILRNYKXEHY-LJQANCHMSA-N	0	1	547.416	5.645	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000053291517	554331807	/nfs/dbraw/zinc/33/18/07/554331807.db2.gz	WGQSFFHCSZXSCR-QFIPXVFZSA-N	0	1	553.409	6.380	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000053291623	554331970	/nfs/dbraw/zinc/33/19/70/554331970.db2.gz	KZGBXDNKIYTPCM-IBGZPJMESA-N	0	1	557.422	5.101	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	ZINC000053306115	554333252	/nfs/dbraw/zinc/33/32/52/554333252.db2.gz	SADYBWCGIPEMIQ-SANMLTNESA-N	0	1	539.459	6.021	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	ZINC000053306115	554333249	/nfs/dbraw/zinc/33/32/49/554333249.db2.gz	SADYBWCGIPEMIQ-SANMLTNESA-N	0	1	539.459	6.021	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000053306397	554333857	/nfs/dbraw/zinc/33/38/57/554333857.db2.gz	RSJHOOMZERZSPH-FLASPHMUSA-N	0	1	554.687	7.193	50	30	biogenic	KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000053306395	554334035	/nfs/dbraw/zinc/33/40/35/554334035.db2.gz	RSJHOOMZERZSPH-PVAZPRTOSA-N	0	1	554.687	7.193	50	30	biogenic	KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccc(Br)cc1)c1ccc(Br)cc1	ZINC000053306728	554334412	/nfs/dbraw/zinc/33/44/12/554334412.db2.gz	IIRDJWGAAQSTPX-IBGZPJMESA-N	0	1	593.069	6.152	50	30		KKEAMN
O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Br)cc1	ZINC000053307068	554334789	/nfs/dbraw/zinc/33/47/89/554334789.db2.gz	WDYONMREQQWWIS-SFHVURJKSA-N	0	1	515.385	6.042	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)c(C)c1	ZINC000053306950	554334814	/nfs/dbraw/zinc/33/48/14/554334814.db2.gz	FDGMZIFQGVDEFR-RUZDIDTESA-N	0	1	535.438	6.110	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000053307512	554335211	/nfs/dbraw/zinc/33/52/11/554335211.db2.gz	YNQZPWXAVUXXRV-IBGZPJMESA-N	0	1	547.416	5.645	50	30		KKEAMN
CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000053307869	554335376	/nfs/dbraw/zinc/33/53/76/554335376.db2.gz	KCCBHIWAMRUWIT-QFIPXVFZSA-N	0	1	525.786	5.844	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1	ZINC000053319124	554335971	/nfs/dbraw/zinc/33/59/71/554335971.db2.gz	FENKUHQYKAQWMP-JOCHJYFZSA-N	0	1	537.410	6.598	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1	ZINC000053319155	554336385	/nfs/dbraw/zinc/33/63/85/554336385.db2.gz	PZKZYYUYCQBUJR-QFIPXVFZSA-N	0	1	553.865	7.112	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000053319218	554336676	/nfs/dbraw/zinc/33/66/76/554336676.db2.gz	HFNLPKIVWLUQSK-QFIPXVFZSA-N	0	1	535.419	6.240	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000053319252	554336913	/nfs/dbraw/zinc/33/69/13/554336913.db2.gz	AITHIMCXEJSIMN-DEOSSOPVSA-N	0	1	551.020	6.149	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(Br)cc4s3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000053319498	554338316	/nfs/dbraw/zinc/33/83/16/554338316.db2.gz	WYMGBXFWNASJBH-NRFANRHFSA-N	0	1	584.289	6.913	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	ZINC000053319496	554338398	/nfs/dbraw/zinc/33/83/98/554338398.db2.gz	DRYJSNDYYCJCJD-LJQANCHMSA-N	0	1	514.719	5.189	50	30		KKEAMN
O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1F	ZINC000053332537	554339058	/nfs/dbraw/zinc/33/90/58/554339058.db2.gz	RNJCMLBCIKPKEI-PLTNMMHCSA-N	0	1	572.467	8.739	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000053332109	554339064	/nfs/dbraw/zinc/33/90/64/554339064.db2.gz	DUMLNVTXEMCNIV-FQEVSTJZSA-N	0	1	526.567	5.306	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2	ZINC000053333619	554339945	/nfs/dbraw/zinc/33/99/45/554339945.db2.gz	SDOZOKKFGUHRRZ-QFIPXVFZSA-N	0	1	539.396	6.157	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000053338747	554342702	/nfs/dbraw/zinc/34/27/02/554342702.db2.gz	QUUDKXHWTWMLFU-ZSEKCTLFSA-N	0	1	539.009	5.388	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000053338870	554343183	/nfs/dbraw/zinc/34/31/83/554343183.db2.gz	VMQLPWCVMRDZBD-SPSFWMDKSA-N	0	1	555.414	6.849	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000053339268	554343218	/nfs/dbraw/zinc/34/32/18/554343218.db2.gz	BLHXTJOJBYSLCF-DLUDVSRJSA-N	0	1	576.602	5.568	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1OC	ZINC000053359612	554344932	/nfs/dbraw/zinc/34/49/32/554344932.db2.gz	RZVXFMYOFMTGIN-WNSROMTISA-N	0	1	579.096	7.880	50	30		KKEAMN
Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN3C(=O)CC[C@H]3C2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000056898864	554351357	/nfs/dbraw/zinc/35/13/57/554351357.db2.gz	XWNBGDJPEXZSQM-VZOBGQTKSA-N	0	1	628.633	6.797	50	30	investigational	KKEAMN
Oc1c(I)cc(I)cc1C=NNc1c(Cl)cc(Cl)cc1Cl	ZINC000100460522	554397756	/nfs/dbraw/zinc/39/77/56/554397756.db2.gz	MCUSTQGUCWEUQK-PTXOJBNSSA-N	0	1	567.379	6.008	50	30		KKEAMN
CCCCCCCCCCCCC(=O)N(C[C@@H](C)/C(=N/c1ccccc1)Nc1ccccc1)c1ccccc1	ZINC000059608864	554411582	/nfs/dbraw/zinc/41/15/82/554411582.db2.gz	KYIBCWITQMUASL-SSEXGKCCSA-N	0	1	525.781	9.809	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000100672101	554441502	/nfs/dbraw/zinc/44/15/02/554441502.db2.gz	MBVLAHPEACZZBI-SSEXGKCCSA-N	0	1	534.612	6.750	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000100674873	554443203	/nfs/dbraw/zinc/44/32/03/554443203.db2.gz	LBRVAJWPIMGXTK-DEOSSOPVSA-N	0	1	566.651	6.365	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000100674895	554443286	/nfs/dbraw/zinc/44/32/86/554443286.db2.gz	UXDPNWRDWCNIHB-DEOSSOPVSA-N	0	1	627.557	6.989	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000100674891	554443296	/nfs/dbraw/zinc/44/32/96/554443296.db2.gz	UXDPNWRDWCNIHB-XMMPIXPASA-N	0	1	627.557	6.989	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000100674850	554443330	/nfs/dbraw/zinc/44/33/30/554443330.db2.gz	WKQREQVNUGDQQH-DEOSSOPVSA-N	0	1	583.106	6.880	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000100675286	554443365	/nfs/dbraw/zinc/44/33/65/554443365.db2.gz	ARMMIXVDHHHZHX-XMMPIXPASA-N	0	1	583.106	6.880	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1	ZINC000100675453	554443594	/nfs/dbraw/zinc/44/35/94/554443594.db2.gz	GFZWVJCYVXVZES-DEOSSOPVSA-N	0	1	562.644	5.765	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000100677697	554444646	/nfs/dbraw/zinc/44/46/46/554444646.db2.gz	FEYBIMZYGRDZPL-XMMPIXPASA-N	0	1	558.587	6.261	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1	ZINC000100677700	554444669	/nfs/dbraw/zinc/44/46/69/554444669.db2.gz	LAPDXXYUJNBTIY-QFIPXVFZSA-N	0	1	538.597	5.647	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000100677299	554444675	/nfs/dbraw/zinc/44/46/75/554444675.db2.gz	WHHCKOUJDOSJIP-DEOSSOPVSA-N	0	1	580.659	5.607	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1	ZINC000100678611	554445301	/nfs/dbraw/zinc/44/53/01/554445301.db2.gz	UFUJDUDMELDWTA-GDLZYMKVSA-N	0	1	538.575	5.895	50	30		KKEAMN
O=C(c1ccc(OCc2ccc(F)cc2)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000100678561	554445305	/nfs/dbraw/zinc/44/53/05/554445305.db2.gz	SYHYBUCIWYHLQC-MUUNZHRXSA-N	0	1	599.486	6.012	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000100679905	554445726	/nfs/dbraw/zinc/44/57/26/554445726.db2.gz	XOUGQNJUQVUHPA-NDEPHWFRSA-N	0	1	636.767	7.024	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000100679881	554445729	/nfs/dbraw/zinc/44/57/29/554445729.db2.gz	JUSQYVHEPVSVML-RUZDIDTESA-N	0	1	576.671	6.155	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCC)cc2)nc1C	ZINC000100680358	554446432	/nfs/dbraw/zinc/44/64/32/554446432.db2.gz	QVPOHYXASYVVJH-AREMUKBSSA-N	0	1	590.698	6.545	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2cccc(OC)c2)nc1C	ZINC000100680370	554446517	/nfs/dbraw/zinc/44/65/17/554446517.db2.gz	BKOVKFNRELTAIT-DEOSSOPVSA-N	0	1	562.644	5.765	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(F)cc2)nc1C	ZINC000100680349	554446526	/nfs/dbraw/zinc/44/65/26/554446526.db2.gz	HTBDVYSNJINQDJ-HSZRJFAPSA-N	0	1	550.608	5.895	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000100680685	554446851	/nfs/dbraw/zinc/44/68/51/554446851.db2.gz	ZRYLZMBCDVNTFW-JOCHJYFZSA-N	0	1	536.606	5.209	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000100681025	554447255	/nfs/dbraw/zinc/44/72/55/554447255.db2.gz	MVHIQVMWWQXIGO-DEOSSOPVSA-N	0	1	564.660	5.989	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000100681454	554447872	/nfs/dbraw/zinc/44/78/72/554447872.db2.gz	AAEYXLFITXASEB-QFIPXVFZSA-N	0	1	554.596	5.266	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000100681484	554447896	/nfs/dbraw/zinc/44/78/96/554447896.db2.gz	NPLSQTCNIKPYGC-JOCHJYFZSA-N	0	1	552.580	5.042	50	30		KKEAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2cccc(C(F)(F)F)c2)C2=C1C(=O)CC(C)(C)C2	ZINC000100934025	554528640	/nfs/dbraw/zinc/52/86/40/554528640.db2.gz	YHUYJPMALAJVIU-AREMUKBSSA-N	0	1	563.498	5.983	50	30		KKEAMN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000101062461	554570449	/nfs/dbraw/zinc/57/04/49/554570449.db2.gz	WEFIOPFPKBZFBG-ZHHPLPSFSA-N	0	1	508.416	5.281	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1	ZINC000101062495	554570644	/nfs/dbraw/zinc/57/06/44/554570644.db2.gz	KEBDVNFCQQRJRR-NHFXJNLRSA-N	0	1	526.343	5.269	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000101069839	554574423	/nfs/dbraw/zinc/57/44/23/554574423.db2.gz	UPPYWGYVLUBTMO-MRJHHRETSA-N	0	1	523.383	6.133	50	30		KKEAMN
O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(Br)cc1	ZINC000101072877	554576584	/nfs/dbraw/zinc/57/65/84/554576584.db2.gz	YXCQOMNBWWWNFL-SELCWUDQSA-N	0	1	515.385	5.886	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1	ZINC000101100210	554587181	/nfs/dbraw/zinc/58/71/81/554587181.db2.gz	VJEOYVDWWSUJNM-HFEWCJDKSA-N	0	1	537.410	6.441	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2	ZINC000101101539	554638750	/nfs/dbraw/zinc/63/87/50/554638750.db2.gz	VNUFXSJKPBOSAL-HOGKFDNTSA-N	0	1	583.847	6.110	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(Br)c3)nc2c(C)c1	ZINC000101101654	554638809	/nfs/dbraw/zinc/63/88/09/554638809.db2.gz	IJVYASUBARHRRY-QOJBNDRUSA-N	0	1	509.381	5.895	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccnc2)nc1C	ZINC000101278527	554705043	/nfs/dbraw/zinc/70/50/43/554705043.db2.gz	BKDWXQNIUHFJOO-CJJGVWJISA-N	0	1	581.650	5.703	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000101293995	554710690	/nfs/dbraw/zinc/71/06/90/554710690.db2.gz	YEWPOOWRUBXHDE-SBXHHDGASA-N	0	1	516.550	5.635	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1	ZINC000101974834	554862895	/nfs/dbraw/zinc/86/28/95/554862895.db2.gz	QZYYIJGAOVWKKR-RUZDIDTESA-N	0	1	527.602	5.525	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000102076460	554874538	/nfs/dbraw/zinc/87/45/38/554874538.db2.gz	DKHAJTRMPUWITN-ZHJYXLETSA-N	0	1	511.618	6.057	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000102076474	554874604	/nfs/dbraw/zinc/87/46/04/554874604.db2.gz	DKHAJTRMPUWITN-YJMWBXFMSA-N	0	1	511.618	6.057	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000102076444	554874609	/nfs/dbraw/zinc/87/46/09/554874609.db2.gz	HTCUYWYBNIZESF-FCLPXNLHSA-N	0	1	525.645	6.099	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1	ZINC000102076718	554875057	/nfs/dbraw/zinc/87/50/57/554875057.db2.gz	WZXJOAAHVFSGKY-YFVVEFNMSA-N	0	1	512.606	5.452	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000102076734	554875165	/nfs/dbraw/zinc/87/51/65/554875165.db2.gz	SWKARDYIBSDPNU-LODGOHBISA-N	0	1	512.606	5.452	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000102076831	554875185	/nfs/dbraw/zinc/87/51/85/554875185.db2.gz	XVNNAILFQOPKEZ-ONQGDUAMSA-N	0	1	591.085	6.772	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000102168902	554890976	/nfs/dbraw/zinc/89/09/76/554890976.db2.gz	YFWITIXECHPITO-MIOXIQPJSA-N	0	1	548.724	5.471	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C	ZINC000102175147	554891681	/nfs/dbraw/zinc/89/16/81/554891681.db2.gz	XZVQOTLDCDQNHY-CZNAVJSXSA-N	0	1	561.506	5.481	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C	ZINC000102175486	554892254	/nfs/dbraw/zinc/89/22/54/554892254.db2.gz	DQQGLPDWHUBRMO-KFLIVHAJSA-N	0	1	584.713	5.966	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C	ZINC000102175489	554892290	/nfs/dbraw/zinc/89/22/90/554892290.db2.gz	CVBNTNSUQSBGKA-MIOXIQPJSA-N	0	1	528.649	5.805	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nnc(C)s2)ccc1O	ZINC000102175802	554892311	/nfs/dbraw/zinc/89/23/11/554892311.db2.gz	JYZJLSJPXURMPI-VWLOTQADSA-N	0	1	543.601	5.231	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000102486295	554938287	/nfs/dbraw/zinc/93/82/87/554938287.db2.gz	CJVFMMABZHQILG-SBXHHDGASA-N	0	1	540.597	6.047	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000102487422	554938492	/nfs/dbraw/zinc/93/84/92/554938492.db2.gz	KTNCHXMKEAOSFG-MOBKVPTQSA-N	0	1	554.983	5.741	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000102486588	554938548	/nfs/dbraw/zinc/93/85/48/554938548.db2.gz	YORPSBYUTQNHKG-SBXHHDGASA-N	0	1	558.587	6.186	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1	ZINC000102491280	554939300	/nfs/dbraw/zinc/93/93/00/554939300.db2.gz	OMSQQAVYGHMMCZ-AYWGPLOBSA-N	0	1	534.565	5.478	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102491626	554939375	/nfs/dbraw/zinc/93/93/75/554939375.db2.gz	FRDDIIDBWNCYQT-JBCNATCCSA-N	0	1	511.386	6.238	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000102493873	554940042	/nfs/dbraw/zinc/94/00/42/554940042.db2.gz	IYRGMKOPHHUHKH-MOBKVPTQSA-N	0	1	530.558	5.640	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000102497619	554941336	/nfs/dbraw/zinc/94/13/36/554941336.db2.gz	DLIKPPISLSMYPZ-RIEKNRFYSA-N	0	1	565.622	6.203	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000102498345	554941512	/nfs/dbraw/zinc/94/15/12/554941512.db2.gz	FXXADBVLRBCHDB-ZORLYMSLSA-N	0	1	564.638	5.998	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(F)cc1	ZINC000102499517	554941831	/nfs/dbraw/zinc/94/18/31/554941831.db2.gz	YFCPPBHEUULKFM-VEZPTTSMSA-N	0	1	600.613	9.491	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000102502923	554943651	/nfs/dbraw/zinc/94/36/51/554943651.db2.gz	LLQWUZWEHUUGHT-MIOXIQPJSA-N	0	1	536.584	5.305	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102502527	554943767	/nfs/dbraw/zinc/94/37/67/554943767.db2.gz	ZQLSIRLKVQIOSF-JBCNATCCSA-N	0	1	539.382	5.833	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000102503498	554944019	/nfs/dbraw/zinc/94/40/19/554944019.db2.gz	FCZNKQVLHGCHPH-HOGKFDNTSA-N	0	1	553.409	6.223	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Cl)c2)cc1Cl	ZINC000102507966	554945204	/nfs/dbraw/zinc/94/52/04/554945204.db2.gz	HROKQQDCPQZYMV-HOGKFDNTSA-N	0	1	500.382	5.101	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102513146	554947030	/nfs/dbraw/zinc/94/70/30/554947030.db2.gz	PEKOSTQMVCLJQZ-WYNCGZBVSA-N	0	1	513.590	5.429	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000102517481	554948756	/nfs/dbraw/zinc/94/87/56/554948756.db2.gz	JTCZLOPLZBGZBX-TXTDGAROSA-N	0	1	628.703	6.159	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102519269	554949384	/nfs/dbraw/zinc/94/93/84/554949384.db2.gz	QVKXDOMMTNDNSU-ZHHPLPSFSA-N	0	1	565.445	6.092	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000102526551	554952240	/nfs/dbraw/zinc/95/22/40/554952240.db2.gz	ZVDZRGJZTAKNGG-TXTDGAROSA-N	0	1	531.605	5.049	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1	ZINC000102527391	554952560	/nfs/dbraw/zinc/95/25/60/554952560.db2.gz	MZPLAZHIBFBRPL-NXLSWJSLSA-N	0	1	518.566	5.859	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	ZINC000102528624	554953074	/nfs/dbraw/zinc/95/30/74/554953074.db2.gz	OHZGZKHENBCQTL-CZNAVJSXSA-N	0	1	539.459	5.864	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000102530759	554953926	/nfs/dbraw/zinc/95/39/26/554953926.db2.gz	HOZMRXMKEQBKPS-TXTDGAROSA-N	0	1	506.558	5.813	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000102535928	554955684	/nfs/dbraw/zinc/95/56/84/554955684.db2.gz	RUOPKXJHGLHQRE-ICQXDZJJSA-N	0	1	541.644	6.065	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C	ZINC000102539883	554957086	/nfs/dbraw/zinc/95/70/86/554957086.db2.gz	VFUPRKIEELZDHI-AYWGPLOBSA-N	0	1	505.442	5.464	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1	ZINC000102544475	554958409	/nfs/dbraw/zinc/95/84/09/554958409.db2.gz	GEKZIOYNCCYTPI-VEZPTTSMSA-N	0	1	606.656	6.885	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000102544730	554958679	/nfs/dbraw/zinc/95/86/79/554958679.db2.gz	QMTRYSCYTFUDTA-QMMFTLRZSA-N	0	1	557.643	5.903	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000102544547	554958705	/nfs/dbraw/zinc/95/87/05/554958705.db2.gz	ZMAUQISYADBSRA-FECHNCLXSA-N	0	1	547.976	5.808	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000102550627	554961684	/nfs/dbraw/zinc/96/16/84/554961684.db2.gz	JVKAKSHLHFEMRQ-SBXHHDGASA-N	0	1	527.558	5.565	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C	ZINC000102550606	554961766	/nfs/dbraw/zinc/96/17/66/554961766.db2.gz	GHDQPNUKBRKSTN-ZHJYXLETSA-N	0	1	559.663	5.152	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000102553983	554963522	/nfs/dbraw/zinc/96/35/22/554963522.db2.gz	IDKQRYIGJSPLJL-WENCHWOGSA-N	0	1	556.659	5.995	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000102555378	554964045	/nfs/dbraw/zinc/96/40/45/554964045.db2.gz	PSTWANZAFPUTRX-CZNAVJSXSA-N	0	1	586.641	6.281	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000102559892	554967175	/nfs/dbraw/zinc/96/71/75/554967175.db2.gz	PUNSBCOZYYCYSA-TXTDGAROSA-N	0	1	597.048	7.140	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000102562003	554968310	/nfs/dbraw/zinc/96/83/10/554968310.db2.gz	MSXQZBHQAIGOEW-SBXHHDGASA-N	0	1	510.373	5.429	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1	ZINC000102563931	554969116	/nfs/dbraw/zinc/96/91/16/554969116.db2.gz	RSCQKEAXOBTMHN-KYWXLPDZSA-N	0	1	504.514	5.524	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000102580252	554972221	/nfs/dbraw/zinc/97/22/21/554972221.db2.gz	BUHRNTXPCZGUPO-AYWGPLOBSA-N	0	1	612.516	6.535	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(Cl)c(Cl)c2)s1	ZINC000102589818	554973823	/nfs/dbraw/zinc/97/38/23/554973823.db2.gz	OKBVGDJVMRLNSO-LHDNAEKUSA-N	0	1	502.379	5.103	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102597703	554977061	/nfs/dbraw/zinc/97/70/61/554977061.db2.gz	SGNBHFLAHISLHQ-CJJGVWJISA-N	0	1	601.706	6.017	50	30		KKEAMN
O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)C1=C(O)C(=Cc2ccco2)CCC1	ZINC000102597430	554977159	/nfs/dbraw/zinc/97/71/59/554977159.db2.gz	LNWFOZSQLNZJSJ-SHHHYEESSA-N	0	1	524.400	5.733	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccccc1	ZINC000102601498	554977653	/nfs/dbraw/zinc/97/76/53/554977653.db2.gz	BHQPOPIVZRZVAJ-VEZPTTSMSA-N	0	1	503.727	8.590	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(O)c3)ccc2O1	ZINC000102602704	554977986	/nfs/dbraw/zinc/97/79/86/554977986.db2.gz	IHAFYXDHGXPMTC-AIKCTZLLSA-N	0	1	592.098	6.139	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1	ZINC000102604239	554978233	/nfs/dbraw/zinc/97/82/33/554978233.db2.gz	KABGCIREFKITNS-ZORLYMSLSA-N	0	1	517.754	8.898	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000102607247	554979803	/nfs/dbraw/zinc/97/98/03/554979803.db2.gz	NPUMQXUHTMQXFS-ZHHPLPSFSA-N	0	1	596.061	6.020	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)C)cc3)s2)cc1	ZINC000102609071	554980842	/nfs/dbraw/zinc/98/08/42/554980842.db2.gz	UGMJKFGGJMRBKC-UUALVTFQSA-N	0	1	599.734	6.660	50	30		KKEAMN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000102615333	554984286	/nfs/dbraw/zinc/98/42/86/554984286.db2.gz	JRTLDRGVCWHUEN-CJJGVWJISA-N	0	1	620.152	7.005	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000102618540	554985493	/nfs/dbraw/zinc/98/54/93/554985493.db2.gz	VJLBQZQUJWCPMJ-NSEAICKMSA-N	0	1	508.983	5.257	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(O)c(OCC)c2)cc1C	ZINC000102622294	554987418	/nfs/dbraw/zinc/98/74/18/554987418.db2.gz	SRCRHELPRPYMBF-DEOSSOPVSA-N	0	1	578.643	5.389	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000102644062	554991428	/nfs/dbraw/zinc/99/14/28/554991428.db2.gz	DLIKPPISLSMYPZ-NNZNMFTDSA-N	0	1	565.622	6.203	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000102645050	554991962	/nfs/dbraw/zinc/99/19/62/554991962.db2.gz	BSUDCSNARKTNDZ-TVKWNQJWSA-N	0	1	525.645	6.243	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000102652442	554996597	/nfs/dbraw/zinc/99/65/97/554996597.db2.gz	IABWBCMZBFEZJH-ZHJYXLETSA-N	0	1	627.788	7.267	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1	ZINC000102653358	554997157	/nfs/dbraw/zinc/99/71/57/554997157.db2.gz	JJQBQLNPHNFHHE-WGQAXHKASA-N	0	1	516.550	5.394	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1	ZINC000102654615	554997710	/nfs/dbraw/zinc/99/77/10/554997710.db2.gz	GKFCYGSISOMEGX-QBTYMPIYSA-N	0	1	569.639	5.384	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1	ZINC000102655228	554998026	/nfs/dbraw/zinc/99/80/26/554998026.db2.gz	RSCQKEAXOBTMHN-YMCWBSDSSA-N	0	1	504.514	5.524	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000102657573	554999616	/nfs/dbraw/zinc/99/96/16/554999616.db2.gz	HVTOXUZYSRLQCF-HALAOQOWSA-N	0	1	577.634	6.058	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCOC)cc1	ZINC000102701459	555013055	/nfs/dbraw/zinc/01/30/55/555013055.db2.gz	MSGQBGNFICHFSU-WGGXKBPPSA-N	0	1	529.633	5.821	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1	ZINC000102706824	555015102	/nfs/dbraw/zinc/01/51/02/555015102.db2.gz	RFISJCASUGDWAH-MIOXIQPJSA-N	0	1	548.595	5.378	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(N(C)C)cc1	ZINC000102708801	555015892	/nfs/dbraw/zinc/01/58/92/555015892.db2.gz	SOCYRUURAWOANG-DFXXOVSGSA-N	0	1	514.622	5.098	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000102712627	555017318	/nfs/dbraw/zinc/01/73/18/555017318.db2.gz	YQTHUKVBPRETLI-CJJGVWJISA-N	0	1	540.443	6.339	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccccc2F)s1	ZINC000102712709	555017322	/nfs/dbraw/zinc/01/73/22/555017322.db2.gz	SRUOQGBCAGLKBB-SBXHHDGASA-N	0	1	515.566	5.499	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccco2)ccc1O	ZINC000102714878	555018319	/nfs/dbraw/zinc/01/83/19/555018319.db2.gz	UUQAENMSCDURPP-MIOXIQPJSA-N	0	1	539.584	5.893	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C(C)C)cc1	ZINC000102717075	555018832	/nfs/dbraw/zinc/01/88/32/555018832.db2.gz	WXYQVORCPWZCNV-WGGXKBPPSA-N	0	1	513.634	6.156	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C(C)C)cc1	ZINC000102717073	555018940	/nfs/dbraw/zinc/01/89/40/555018940.db2.gz	WXYQVORCPWZCNV-MIOXIQPJSA-N	0	1	513.634	6.156	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC	ZINC000102721512	555020225	/nfs/dbraw/zinc/02/02/25/555020225.db2.gz	PNJAREUPJAZCSA-SBXHHDGASA-N	0	1	518.591	5.794	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102722340	555020487	/nfs/dbraw/zinc/02/04/87/555020487.db2.gz	DFFCKWVSRSPBNC-MOBKVPTQSA-N	0	1	519.966	6.047	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccc(Cl)c(Cl)c3)cc2)c1	ZINC000102726081	555021900	/nfs/dbraw/zinc/02/19/00/555021900.db2.gz	CPGGMHKAOPLPJH-CZNAVJSXSA-N	0	1	539.459	5.864	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000102729373	555023004	/nfs/dbraw/zinc/02/30/04/555023004.db2.gz	UMEBVYGPRMRAHC-ONQGDUAMSA-N	0	1	524.529	5.697	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102729128	555023010	/nfs/dbraw/zinc/02/30/10/555023010.db2.gz	RTFMBJQPAHNVRN-JBCNATCCSA-N	0	1	523.408	6.149	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102730943	555023742	/nfs/dbraw/zinc/02/37/42/555023742.db2.gz	QSMOCYHTNLDBMO-NHFXJNLRSA-N	0	1	509.381	5.841	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000102732544	555024151	/nfs/dbraw/zinc/02/41/51/555024151.db2.gz	ZBVZZQHAMZVUFM-TXTDGAROSA-N	0	1	542.035	5.936	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000102734814	555024984	/nfs/dbraw/zinc/02/49/84/555024984.db2.gz	JEMZYCWPWGJGAB-TXTDGAROSA-N	0	1	531.605	5.049	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1	ZINC000102736932	555026329	/nfs/dbraw/zinc/02/63/29/555026329.db2.gz	FGDSXLUFVPIPLJ-YMCWBSDSSA-N	0	1	547.976	5.808	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000102770773	555058055	/nfs/dbraw/zinc/05/80/55/555058055.db2.gz	XBCYGHQJRDOKSI-JEFHYQBXSA-N	0	1	512.393	5.025	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102770792	555058270	/nfs/dbraw/zinc/05/82/70/555058270.db2.gz	POKKWNQXRAOCJH-KNZGKXHUSA-N	0	1	551.451	6.861	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102771310	555060014	/nfs/dbraw/zinc/06/00/14/555060014.db2.gz	GGOZJWHURATZQL-HALAOQOWSA-N	0	1	610.544	7.087	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000102797483	555071836	/nfs/dbraw/zinc/07/18/36/555071836.db2.gz	SGRRZUOUMGEQOO-UUALVTFQSA-N	0	1	509.562	5.196	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCOC)ccc1OCc1ccccc1	ZINC000102857736	555088821	/nfs/dbraw/zinc/08/88/21/555088821.db2.gz	AULHMKWAYYUZSM-DNNDWWBDSA-N	0	1	543.616	5.056	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCOC)ccc1OCc1ccccc1	ZINC000102857730	555088825	/nfs/dbraw/zinc/08/88/25/555088825.db2.gz	AULHMKWAYYUZSM-QJGFIUGVSA-N	0	1	543.616	5.056	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000102859112	555089769	/nfs/dbraw/zinc/08/97/69/555089769.db2.gz	OUCYFDNNKRJVFA-YREDKMEYSA-N	0	1	512.606	5.596	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1	ZINC000102862950	555092899	/nfs/dbraw/zinc/09/28/99/555092899.db2.gz	HDDOXQMQJQKLQG-HFEWCJDKSA-N	0	1	503.511	5.587	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1	ZINC000102864250	555093832	/nfs/dbraw/zinc/09/38/32/555093832.db2.gz	SMMOCBUOZCBPBV-VEZPTTSMSA-N	0	1	600.613	9.491	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1	ZINC000102864728	555094455	/nfs/dbraw/zinc/09/44/55/555094455.db2.gz	XREPYOSVWPJKDS-UUALVTFQSA-N	0	1	546.620	5.217	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000102867406	555097009	/nfs/dbraw/zinc/09/70/09/555097009.db2.gz	GOBMUBCWDWJZOW-ZDZPXDOOSA-N	0	1	577.058	6.307	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000102868933	555098195	/nfs/dbraw/zinc/09/81/95/555098195.db2.gz	NGKWEYATQDACPK-HVESIFNPSA-N	0	1	547.814	5.280	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102870513	555100748	/nfs/dbraw/zinc/10/07/48/555100748.db2.gz	UHVXCIDVHLRYIN-ZHJYXLETSA-N	0	1	627.788	7.349	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2)cc1	ZINC000102873502	555104050	/nfs/dbraw/zinc/10/40/50/555104050.db2.gz	IOBKHKVNVHBHKK-MRJHHRETSA-N	0	1	506.580	5.043	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000102874513	555104517	/nfs/dbraw/zinc/10/45/17/555104517.db2.gz	HBDCCRXFAPMWQP-LFVOPCPISA-N	0	1	547.416	5.488	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000102874616	555104892	/nfs/dbraw/zinc/10/48/92/555104892.db2.gz	PWWOIDQTPBRTJY-MIOXIQPJSA-N	0	1	548.724	5.615	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Br)cc3s2)[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000102875221	555105151	/nfs/dbraw/zinc/10/51/51/555105151.db2.gz	XDMTXKHCNGRSMV-NHFXJNLRSA-N	0	1	509.356	5.824	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000102875397	555105475	/nfs/dbraw/zinc/10/54/75/555105475.db2.gz	ZPCOWYFGCHHAAP-WGGXKBPPSA-N	0	1	565.626	5.069	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102875820	555105863	/nfs/dbraw/zinc/10/58/63/555105863.db2.gz	OISFPJHZMAWVJW-MOBKVPTQSA-N	0	1	553.409	6.223	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102875817	555105880	/nfs/dbraw/zinc/10/58/80/555105880.db2.gz	OISFPJHZMAWVJW-HOGKFDNTSA-N	0	1	553.409	6.223	50	30		KKEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1	ZINC000102876467	555106106	/nfs/dbraw/zinc/10/61/06/555106106.db2.gz	JEBZCXMBBRIJNS-HOGKFDNTSA-N	0	1	524.957	5.732	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)nc1C	ZINC000102878405	555107756	/nfs/dbraw/zinc/10/77/56/555107756.db2.gz	BEQDDVGCALKRQQ-SELCWUDQSA-N	0	1	500.935	5.047	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000102879174	555108386	/nfs/dbraw/zinc/10/83/86/555108386.db2.gz	AMWADMNUOYWRIP-KFLIVHAJSA-N	0	1	584.713	6.110	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102879274	555108513	/nfs/dbraw/zinc/10/85/13/555108513.db2.gz	QETZONOYERPLCG-HOGKFDNTSA-N	0	1	569.864	6.737	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102879909	555109058	/nfs/dbraw/zinc/10/90/58/555109058.db2.gz	BCIPCRVCFLIZSM-DNNDWWBDSA-N	0	1	527.617	5.472	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102881366	555110189	/nfs/dbraw/zinc/11/01/89/555110189.db2.gz	GBYVGOLEMFYEOZ-MOBKVPTQSA-N	0	1	501.520	5.230	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000102883886	555112609	/nfs/dbraw/zinc/11/26/09/555112609.db2.gz	LOIKPKBDODCKIW-SZYGQJGOSA-N	0	1	563.779	8.612	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000102884340	555113192	/nfs/dbraw/zinc/11/31/92/555113192.db2.gz	CDONGKQZFJKPBD-OGHRCCBNSA-N	0	1	606.125	6.442	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000102884720	555114231	/nfs/dbraw/zinc/11/42/31/555114231.db2.gz	CBIMUKNYNYMTQB-NPJIAGGLSA-N	0	1	599.621	5.660	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000102885196	555115137	/nfs/dbraw/zinc/11/51/37/555115137.db2.gz	ZGMHIIHZQHWRAY-WGGXKBPPSA-N	0	1	527.617	5.691	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000102885130	555115169	/nfs/dbraw/zinc/11/51/69/555115169.db2.gz	DYTNIDYBARGFRX-WYNCGZBVSA-N	0	1	528.605	5.214	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000102885259	555115569	/nfs/dbraw/zinc/11/55/69/555115569.db2.gz	BALBVIOTKHBNPK-IUKMQXEJSA-N	0	1	572.614	5.891	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1	ZINC000102885688	555115782	/nfs/dbraw/zinc/11/57/82/555115782.db2.gz	BVGXZVBTJOCNIF-SBXHHDGASA-N	0	1	578.643	5.205	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000102886510	555116978	/nfs/dbraw/zinc/11/69/78/555116978.db2.gz	ZQXUWSYQDGMJKD-WGQAXHKASA-N	0	1	561.015	5.686	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102886797	555117600	/nfs/dbraw/zinc/11/76/00/555117600.db2.gz	QCOCDOUOUUDENN-VEZPTTSMSA-N	0	1	557.643	5.700	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000102887298	555118873	/nfs/dbraw/zinc/11/88/73/555118873.db2.gz	YZPKENIGULFGEA-TVXPFAQOSA-N	0	1	620.152	6.832	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000102888853	555122579	/nfs/dbraw/zinc/12/25/79/555122579.db2.gz	OTRCYTZUMXLPFG-JRPVAJNPSA-N	0	1	547.032	6.298	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1	ZINC000102889092	555122798	/nfs/dbraw/zinc/12/27/98/555122798.db2.gz	JUINQCSOOCZZCJ-VEZPTTSMSA-N	0	1	582.623	9.352	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1	ZINC000102889177	555123066	/nfs/dbraw/zinc/12/30/66/555123066.db2.gz	FZEBWGZORDTNHW-IUKMQXEJSA-N	0	1	592.670	5.595	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000102890002	555124852	/nfs/dbraw/zinc/12/48/52/555124852.db2.gz	HXEUMKANINIIOL-QMMFTLRZSA-N	0	1	557.643	5.700	50	30		KKEAMN
COc1ccccc1[C@H]1C(C(=O)c2ccc(OCc3ccccc3)cc2)C(=O)C(=O)N1Cc1cccnc1	ZINC000102890324	555125594	/nfs/dbraw/zinc/12/55/94/555125594.db2.gz	WAXQAMCAOLZWSA-TXTDGAROSA-N	0	1	506.558	5.291	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000102891192	555126797	/nfs/dbraw/zinc/12/67/97/555126797.db2.gz	HCGBABHEXWJFNQ-FSDXSRJSSA-N	0	1	606.125	6.442	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(OCc2ccccc2)c1	ZINC000102891122	555126829	/nfs/dbraw/zinc/12/68/29/555126829.db2.gz	MUGQYZSPADBXIW-WGGXKBPPSA-N	0	1	534.568	5.054	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000102891301	555126865	/nfs/dbraw/zinc/12/68/65/555126865.db2.gz	QKLRINVSLZGETP-AHPONGEQSA-N	0	1	568.198	9.252	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102893780	555131693	/nfs/dbraw/zinc/13/16/93/555131693.db2.gz	HCYKITXKKVQGDS-VIDUVWHZSA-N	0	1	569.698	6.642	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccs1)c1ccc2c(c1)OCCO2	ZINC000102894080	555131995	/nfs/dbraw/zinc/13/19/95/555131995.db2.gz	GOYOUIDHQDFOHK-YDJIHCHBSA-N	0	1	510.980	5.409	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC	ZINC000102894828	555133232	/nfs/dbraw/zinc/13/32/32/555133232.db2.gz	RSJILABPAUJYFP-CZNAVJSXSA-N	0	1	574.611	5.110	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(OCc2ccccc2)c1	ZINC000102894879	555133238	/nfs/dbraw/zinc/13/32/38/555133238.db2.gz	REGYEVKXZRNNSI-DFXXOVSGSA-N	0	1	523.541	5.252	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000102895015	555133558	/nfs/dbraw/zinc/13/35/58/555133558.db2.gz	JOCZGKAXWYVWDI-QMMFTLRZSA-N	0	1	550.611	5.608	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000102895418	555134287	/nfs/dbraw/zinc/13/42/87/555134287.db2.gz	FQQGDAFKVHBLNE-NSOCNUKWSA-N	0	1	620.724	6.156	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000102895546	555134683	/nfs/dbraw/zinc/13/46/83/555134683.db2.gz	BJWDZUBGSUEYBD-CFQDGGCTSA-N	0	1	591.660	6.100	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000102896281	555135948	/nfs/dbraw/zinc/13/59/48/555135948.db2.gz	HECXZJJPZOUAJP-UUALVTFQSA-N	0	1	534.609	5.832	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1	ZINC000102896571	555136597	/nfs/dbraw/zinc/13/65/97/555136597.db2.gz	CWFGLWYTGJEABI-VEZPTTSMSA-N	0	1	556.162	9.382	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC	ZINC000102896913	555137271	/nfs/dbraw/zinc/13/72/71/555137271.db2.gz	SDZPHNYHAHRVTA-MIOXIQPJSA-N	0	1	616.692	6.280	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000102897062	555137313	/nfs/dbraw/zinc/13/73/13/555137313.db2.gz	ZHSFQIIDEAFQJI-IIHDFJPDSA-N	0	1	571.680	5.789	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1	ZINC000102897398	555137874	/nfs/dbraw/zinc/13/78/74/555137874.db2.gz	WHPLVPSDWKKUAH-KFLIVHAJSA-N	0	1	563.779	8.607	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000102898141	555138173	/nfs/dbraw/zinc/13/81/73/555138173.db2.gz	LSBACRVIMTVQHE-CJJGVWJISA-N	0	1	520.582	5.442	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OC	ZINC000102899306	555138846	/nfs/dbraw/zinc/13/88/46/555138846.db2.gz	MFWFIHNKYWZJBQ-YJMWBXFMSA-N	0	1	559.663	5.296	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102899533	555139342	/nfs/dbraw/zinc/13/93/42/555139342.db2.gz	SLZPCADTYOCITQ-HAQIDCBSSA-N	0	1	547.032	6.298	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102899530	555139403	/nfs/dbraw/zinc/13/94/03/555139403.db2.gz	SLZPCADTYOCITQ-CGKJMNDRSA-N	0	1	547.032	6.298	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000102899469	555139435	/nfs/dbraw/zinc/13/94/35/555139435.db2.gz	SAEVUAAUPQMQLK-YFVVEFNMSA-N	0	1	613.761	6.877	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C	ZINC000102899762	555139589	/nfs/dbraw/zinc/13/95/89/555139589.db2.gz	HQNCNAMBBOPZBZ-ICQXDZJJSA-N	0	1	556.659	5.851	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(N(C)C)cc1	ZINC000102924841	555148987	/nfs/dbraw/zinc/14/89/87/555148987.db2.gz	KPFPCTXEEQZSGL-KFLIVHAJSA-N	0	1	591.793	8.564	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(N(C)C)cc1	ZINC000102924843	555148992	/nfs/dbraw/zinc/14/89/92/555148992.db2.gz	KPFPCTXEEQZSGL-SZYGQJGOSA-N	0	1	591.793	8.564	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccs2)cc1	ZINC000102926173	555150643	/nfs/dbraw/zinc/15/06/43/555150643.db2.gz	VUTVBDFXVIPBKM-LFVOPCPISA-N	0	1	512.609	5.105	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000102926535	555151149	/nfs/dbraw/zinc/15/11/49/555151149.db2.gz	MWUXJROOSSNIBB-ZHHPLPSFSA-N	0	1	520.994	5.983	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000102927970	555152811	/nfs/dbraw/zinc/15/28/11/555152811.db2.gz	AKCWMBFAULDYHG-LFVOPCPISA-N	0	1	547.416	5.488	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000102930387	555156970	/nfs/dbraw/zinc/15/69/70/555156970.db2.gz	WHFKJOHWZAHBIH-MOBKVPTQSA-N	0	1	520.538	5.088	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000102930383	555157070	/nfs/dbraw/zinc/15/70/70/555157070.db2.gz	WHFKJOHWZAHBIH-HOGKFDNTSA-N	0	1	520.538	5.088	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1	ZINC000102934910	555162312	/nfs/dbraw/zinc/16/23/12/555162312.db2.gz	FAGMWUHKXRGLDI-PYCUTIABSA-N	0	1	576.649	6.005	50	30		KKEAMN
C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)Nc3ccccc3OC)c2)c1	ZINC000102975163	555184641	/nfs/dbraw/zinc/18/46/41/555184641.db2.gz	GUNQZZMJRXGITI-UHFFFAOYSA-N	0	1	562.736	6.576	50	30		KKEAMN
CCCCCCCCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C(C)C)CC1)C(C)C	ZINC000102995435	555194978	/nfs/dbraw/zinc/19/49/78/555194978.db2.gz	CCMWOGRUXUPFIB-UHFFFAOYSA-N	0	1	513.746	6.338	50	30		KKEAMN
CCCCCCCCCCCC(=O)N(CCCOC)Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1	ZINC000102999744	555199473	/nfs/dbraw/zinc/19/94/73/555199473.db2.gz	SZRVQXGYUZJLFX-UHFFFAOYSA-N	0	1	553.836	6.609	50	30		KKEAMN
CCCCCCCCS(=O)(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CC1	ZINC000103013459	555207886	/nfs/dbraw/zinc/20/78/86/555207886.db2.gz	DNRIEEFASLTSNN-MUUNZHRXSA-N	0	1	549.778	5.059	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2cccc(Br)c2)cc1C	ZINC000103143819	555311989	/nfs/dbraw/zinc/31/19/89/555311989.db2.gz	VXGDIJKFTPFKKL-AYWGPLOBSA-N	0	1	516.432	5.395	50	30		KKEAMN
CCOC(=O)c1sc(N=Cc2c(C)[nH]n(-c3ccc(Br)c(C)c3C)c2=O)c(C#N)c1C	ZINC000103646247	555460789	/nfs/dbraw/zinc/46/07/89/555460789.db2.gz	FYZJNXAFRDMVPK-YBEGLDIGSA-N	0	1	501.406	5.203	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000100735623	571361122	/nfs/dbraw/zinc/36/11/22/571361122.db2.gz	CBVCAPNMASKFQE-PMERELPUSA-N	0	1	556.659	5.487	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(Br)cc1	ZINC000104186019	571376302	/nfs/dbraw/zinc/37/63/02/571376302.db2.gz	CSVWILWTZFDXAZ-ZHHPLPSFSA-N	0	1	516.432	5.251	50	30		KKEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000104197994	571376680	/nfs/dbraw/zinc/37/66/80/571376680.db2.gz	LDKSJWWMRFEGBO-DFXXOVSGSA-N	0	1	515.606	5.890	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(Br)c1	ZINC000104200536	571376797	/nfs/dbraw/zinc/37/67/97/571376797.db2.gz	UDCWKLSZAQHGEV-ZHHPLPSFSA-N	0	1	516.432	5.251	50	30		KKEAMN
COc1cc2c(cc1OC)[C@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C[C@@H]3CC(C)C)[C@H](CC(C)C)C[NH+]1CC2	ZINC000105260875	571392473	/nfs/dbraw/zinc/39/24/73/571392473.db2.gz	ROCDXPADLYVOGR-HUMYSCSZSA-N	0	1	630.874	7.149	50	30		KKEAMN
CCOC(=O)c1c2cc(Oc3nccc(Nc4ccccc4)c3C#N)ccc2n(-c2ccc(C)cc2)c1CN(C)C	ZINC000135626665	571448627	/nfs/dbraw/zinc/44/86/27/571448627.db2.gz	FNFZXZGUWBYJON-UHFFFAOYSA-N	0	1	545.643	6.980	50	30		KKEAMN
O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000150342672	571458714	/nfs/dbraw/zinc/45/87/14/571458714.db2.gz	VJPLPULMKIMOSI-UHFFFAOYSA-N	0	1	708.127	7.992	50	30		KKEAMN
Cc1cccc(C)c1NC(=O)CSc1nc2ccc(/N=C/c3cc(I)cc(I)c3O)cc2s1	ZINC000150354438	571462982	/nfs/dbraw/zinc/46/29/82/571462982.db2.gz	QMXQGSVYZGCUAI-LUOAPIJWSA-N	0	1	699.377	7.309	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1/C=N/c1ccc2nc(SCc3ccc(Br)cc3)sc2c1	ZINC000150355346	571463080	/nfs/dbraw/zinc/46/30/80/571463080.db2.gz	MQFMFGVZJCMXNZ-KIBLKLHPSA-N	0	1	613.194	8.332	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/c1ccc2nc(SCc3ccc(Br)cc3)sc2c1	ZINC000150355345	571463076	/nfs/dbraw/zinc/46/30/76/571463076.db2.gz	CQKHNAVWXHTRFP-KIBLKLHPSA-N	0	1	707.194	8.017	50	30		KKEAMN
O=C(CSc1nc2ccc(/N=C\c3cc(I)cc(I)c3O)cc2s1)Nc1ccc2c(c1)oc1ccccc12	ZINC000150355663	571463171	/nfs/dbraw/zinc/46/31/71/571463171.db2.gz	ZNHHWCDCANTWJE-AAPHRLRXSA-N	0	1	761.404	8.592	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150418423	571486471	/nfs/dbraw/zinc/48/64/71/571486471.db2.gz	QXWNMBQFAXVJTM-UUALVTFQSA-N	0	1	649.722	6.164	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150418209	571486526	/nfs/dbraw/zinc/48/65/26/571486526.db2.gz	IECSAWRQOZEICZ-XKNZNLGKSA-N	0	1	664.205	7.231	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C	ZINC000150422192	571488022	/nfs/dbraw/zinc/48/80/22/571488022.db2.gz	PCXGNBGMNYVOGS-FFMCZVIESA-N	0	1	671.841	7.604	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C	ZINC000150422313	571488197	/nfs/dbraw/zinc/48/81/97/571488197.db2.gz	UKDMSRKFXSCEFL-VEZPTTSMSA-N	0	1	673.813	7.052	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000150422209	571488271	/nfs/dbraw/zinc/48/82/71/571488271.db2.gz	ZFEYBRVWBRBPHQ-VEZPTTSMSA-N	0	1	684.195	7.460	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C	ZINC000150422316	571488318	/nfs/dbraw/zinc/48/83/18/571488318.db2.gz	UKDMSRKFXSCEFL-QMMFTLRZSA-N	0	1	673.813	7.052	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C	ZINC000150424444	571489132	/nfs/dbraw/zinc/48/91/32/571489132.db2.gz	XHHIFHWTMOCGJJ-JNYBUSFRSA-N	0	1	706.286	8.257	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000150426351	571490568	/nfs/dbraw/zinc/49/05/68/571490568.db2.gz	YOQFDFNZDWOERT-OGHRCCBNSA-N	0	1	634.135	6.220	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000150426354	571490630	/nfs/dbraw/zinc/49/06/30/571490630.db2.gz	YOQFDFNZDWOERT-FSDXSRJSSA-N	0	1	634.135	6.220	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000150435427	571495414	/nfs/dbraw/zinc/49/54/14/571495414.db2.gz	IVTKOYCZXOACFX-VEZPTTSMSA-N	0	1	718.640	8.114	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1	ZINC000150435576	571495533	/nfs/dbraw/zinc/49/55/33/571495533.db2.gz	ZZILABCOXMIXAC-GXKLCEICSA-N	0	1	760.721	9.065	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1	ZINC000150439724	571497497	/nfs/dbraw/zinc/49/74/97/571497497.db2.gz	UCYRZWYTLNYIBE-WSOTVMCUSA-N	0	1	691.831	7.758	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1	ZINC000150439922	571497636	/nfs/dbraw/zinc/49/76/36/571497636.db2.gz	KUHBNGFSFAQCBP-KFLIVHAJSA-N	0	1	728.248	7.859	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1	ZINC000150439928	571497645	/nfs/dbraw/zinc/49/76/45/571497645.db2.gz	KUHBNGFSFAQCBP-SZYGQJGOSA-N	0	1	728.248	7.859	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1	ZINC000150445071	571500128	/nfs/dbraw/zinc/50/01/28/571500128.db2.gz	YYWQOSSROGXSSI-CDMMYUFDSA-N	0	1	639.129	7.487	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1	ZINC000150445078	571500159	/nfs/dbraw/zinc/50/01/59/571500159.db2.gz	YYWQOSSROGXSSI-ORMNNRERSA-N	0	1	639.129	7.487	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000150445192	571500195	/nfs/dbraw/zinc/50/01/95/571500195.db2.gz	SFWZOGMPTPFLIR-KFLIVHAJSA-N	0	1	660.748	7.934	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150445584	571500708	/nfs/dbraw/zinc/50/07/08/571500708.db2.gz	WLDZAZUWZKYCOL-QZDFLZESSA-N	0	1	647.778	7.359	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(Br)cc1	ZINC000150456535	571504715	/nfs/dbraw/zinc/50/47/15/571504715.db2.gz	SZEOOXOMYNISTA-QMMFTLRZSA-N	0	1	661.519	10.115	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150457416	571504857	/nfs/dbraw/zinc/50/48/57/571504857.db2.gz	GOTFXUMMRMZYHF-VXJPNWOUSA-N	0	1	641.771	6.744	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150457531	571504987	/nfs/dbraw/zinc/50/49/87/571504987.db2.gz	ZXSIOKUULPFQPW-DDLSXHCZSA-N	0	1	675.804	7.497	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150457714	571505063	/nfs/dbraw/zinc/50/50/63/571505063.db2.gz	MKHIVYJSBDUFCO-UZGIXAGNSA-N	0	1	692.259	8.011	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150458728	571505554	/nfs/dbraw/zinc/50/55/54/571505554.db2.gz	CSMVLPGZCSFUOR-ICQXDZJJSA-N	0	1	655.798	7.052	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1	ZINC000150460662	571506074	/nfs/dbraw/zinc/50/60/74/571506074.db2.gz	IEOXKJNPQFGQCR-QMMFTLRZSA-N	0	1	641.101	6.935	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)s2)cc1	ZINC000150460632	571506216	/nfs/dbraw/zinc/50/62/16/571506216.db2.gz	JKLBPGVAZJASOH-YELMDPSYSA-N	0	1	641.815	7.513	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150462806	571506777	/nfs/dbraw/zinc/50/67/77/571506777.db2.gz	MVXUFUWGMRNRTA-FFMCZVIESA-N	0	1	671.841	7.748	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000150463210	571507016	/nfs/dbraw/zinc/50/70/16/571507016.db2.gz	RFPIPEUKSBZXFL-YELMDPSYSA-N	0	1	641.815	7.658	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150463702	571507553	/nfs/dbraw/zinc/50/75/53/571507553.db2.gz	HZMUETVAUGBJME-VMFRQMAUSA-N	0	1	648.206	7.612	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000150464420	571507667	/nfs/dbraw/zinc/50/76/67/571507667.db2.gz	UIGXRKOXTLMZAE-GRBPGWBESA-N	0	1	712.677	8.274	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150469564	571508796	/nfs/dbraw/zinc/50/87/96/571508796.db2.gz	NLGCCBHKMREHBL-CJJGVWJISA-N	0	1	634.135	6.446	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150469632	571508816	/nfs/dbraw/zinc/50/88/16/571508816.db2.gz	YZGVDIIXQZDQFR-QMDVFYPZSA-N	0	1	676.216	7.397	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000150472714	571510216	/nfs/dbraw/zinc/51/02/16/571510216.db2.gz	JVGWSARPEKHLOS-WGQAXHKASA-N	0	1	628.534	7.226	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000150479356	571511662	/nfs/dbraw/zinc/51/16/62/571511662.db2.gz	RJIKOQZFJBKBTK-DFXXOVSGSA-N	0	1	647.750	6.936	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000150479356	571511664	/nfs/dbraw/zinc/51/16/64/571511664.db2.gz	RJIKOQZFJBKBTK-DFXXOVSGSA-N	0	1	647.750	6.936	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000150479552	571511735	/nfs/dbraw/zinc/51/17/35/571511735.db2.gz	GIMMAIRSRUTFIJ-VEZPTTSMSA-N	0	1	684.195	7.460	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150481335	571512511	/nfs/dbraw/zinc/51/25/11/571512511.db2.gz	ZUPKBPIDNWZANI-TXTDGAROSA-N	0	1	664.205	7.450	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000150483089	571513859	/nfs/dbraw/zinc/51/38/59/571513859.db2.gz	GCMDYJPZUKJBDF-QMMFTLRZSA-N	0	1	742.703	8.502	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150488571	571516861	/nfs/dbraw/zinc/51/68/61/571516861.db2.gz	HYLRRDGDSNMCPX-CZNAVJSXSA-N	0	1	636.151	6.670	50	30		KKEAMN
CCCCCCCCCCCCCCOc1ccccc1NC(=O)c1cc(Sc2nnnn2-c2ccccc2)c2ccccc2c1O	ZINC000150615368	571523203	/nfs/dbraw/zinc/52/32/03/571523203.db2.gz	RQJVRTHWJHBYOM-UHFFFAOYSA-N	0	1	651.877	10.005	50	30		KKEAMN
C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1	ZINC000299779889	572136366	/nfs/dbraw/zinc/13/63/66/572136366.db2.gz	AUXCXXAJEZRPIB-UHFFFAOYSA-N	0	1	515.079	5.512	50	30		KKEAMN
CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1	ZINC000226917598	572145119	/nfs/dbraw/zinc/14/51/19/572145119.db2.gz	CEDHVXMBSQRJTQ-FRXPANAUSA-N	0	1	512.650	6.785	50	30		KKEAMN
C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@]2(C)[C@H]1C[C@H](C1=CCOC1=O)N1CCN(c2ccccc2F)CC1	ZINC000250604817	572259159	/nfs/dbraw/zinc/25/91/59/572259159.db2.gz	ANBNJZPPIQCICX-YBBAAJRUSA-N	0	1	596.740	5.073	50	30		KKEAMN
O=C1NC(=NN=Cc2ccccc2Cl)S/C1=C/c1cc(Br)cc(Br)c1O	ZINC000252606671	572267861	/nfs/dbraw/zinc/26/78/61/572267861.db2.gz	GUHNGVPLBILIEP-OKOGVSOOSA-N	0	1	515.614	5.165	50	30		KKEAMN
COc1cc([N+](=O)[O-])cc(C=Nc2ccc3oc(-c4cccc(I)c4)nc3c2)c1O	ZINC000252617523	572268986	/nfs/dbraw/zinc/26/89/86/572268986.db2.gz	KUVBXEYFRCPMFT-UHFFFAOYSA-N	0	1	515.263	5.472	50	30		KKEAMN
Cc1ccc(-c2nc3cc(N=Cc4cc(Br)cc(I)c4O)ccc3o2)cc1	ZINC000252627656	572270754	/nfs/dbraw/zinc/27/07/54/572270754.db2.gz	RYWIYRZJIUSPBJ-UHFFFAOYSA-N	0	1	533.163	6.627	50	30		KKEAMN
COc1c(Br)cc(C=Nc2ccccc2Sc2c(C)n[nH]c2C)c(O)c1Br	ZINC000252628136	572270926	/nfs/dbraw/zinc/27/09/26/572270926.db2.gz	SIYLFHGKPCTPHL-UHFFFAOYSA-N	0	1	511.239	6.168	50	30		KKEAMN
Oc1c(Br)cc(Cl)cc1CN=Nc1nc(Nc2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1	ZINC000252631473	572271447	/nfs/dbraw/zinc/27/14/47/572271447.db2.gz	VLEFMRVFNFRMBW-UHFFFAOYSA-N	0	1	572.773	5.038	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@H](CCC(C)C)c3ccco3)C1=O)O2	ZINC000253409680	572287236	/nfs/dbraw/zinc/28/72/36/572287236.db2.gz	MFGREMZEBVDNAO-ONJQOHQHSA-N	0	1	521.610	5.361	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@@H](c3ccc(Cl)cc3)C(C)C)C1=O)O2	ZINC000253414406	572288928	/nfs/dbraw/zinc/28/89/28/572288928.db2.gz	XKFANHBDNWFFMU-ICXSUPDSSA-N	0	1	538.040	5.642	50	30		KKEAMN
CSCC[C@H](NC(C)=C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O)c1nc(-c2ccccc2Cl)no1	ZINC000409415568	1070929521	/nfs/dbraw/zinc/92/95/21/1070929521.db2.gz	QASSZKKHWJVCAM-IHLFRJKRSA-N	0	1	610.088	5.356	50	30		KKEAMN
CCCCCCCCOc1ccc([C@@H](CC(=O)OC)c2c(O)cc(C)n(CCc3cnc[nH]3)c2=O)cc1	ZINC000888089728	1071062016	/nfs/dbraw/zinc/06/20/16/1071062016.db2.gz	CEFWXIGJLQSLNP-RUZDIDTESA-N	0	1	509.647	5.262	50	30		KKEAMN
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1ccccc1/N=C/c1cc(Cl)cc(Cl)c1O	ZINC000106837184	1071074659	/nfs/dbraw/zinc/07/46/59/1071074659.db2.gz	VCNXFRWWANDUHA-JQAMDZJQSA-N	0	1	515.231	7.028	50	30		KKEAMN
CCn1c2ccccc2c2cc(C=NN=C3NC(=O)C(Cc4ccc(SC(F)F)cc4)S3)ccc21	ZINC000585680919	1071129566	/nfs/dbraw/zinc/12/95/66/1071129566.db2.gz	POQJELPQRJSDGS-QHCPKHFHSA-N	0	1	508.619	6.293	50	30		KKEAMN
CCCCCCCCCCCCCCCCC1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3cc(C)ccc3C)c2)NC1=O	ZINC000245283706	1072830681	/nfs/dbraw/zinc/83/06/81/1072830681.db2.gz	OIZCGIIFBSLQOA-HKBQPEDESA-N	0	1	627.917	8.864	50	30		KKEAMN
CCN1CCC[C@H]1CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=Nc1ccc(OC)cc1	ZINC000254296040	1072844891	/nfs/dbraw/zinc/84/48/91/1072844891.db2.gz	XBTAQGWXKUEPFQ-AHSRBVRBSA-N	0	1	527.690	6.363	50	30		KKEAMN
CCN1CCC[C@H]1CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=Nc1ccc(OC)cc1	ZINC000254296042	1072845175	/nfs/dbraw/zinc/84/51/75/1072845175.db2.gz	XBTAQGWXKUEPFQ-BUVIDBDQSA-N	0	1	527.690	6.363	50	30		KKEAMN
CCN(Cc1ccccc1)c1ccc(CN=Nc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])cc1	ZINC000254627250	1072868261	/nfs/dbraw/zinc/86/82/61/1072868261.db2.gz	QWWJYVUCWPFXCL-UHFFFAOYSA-N	0	1	509.632	5.098	50	30		KKEAMN
O=C(c1ccccc1)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000000674114	551520959	/nfs/dbraw/zinc/52/09/59/551520959.db2.gz	KINWNGNCMCOSKE-LGGPFLRQSA-N	0	1	505.530	6.402	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000000702681	551529759	/nfs/dbraw/zinc/52/97/59/551529759.db2.gz	CCXXDTMSJMDQPO-MHZLTWQESA-N	0	1	519.594	5.890	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000000702747	551529765	/nfs/dbraw/zinc/52/97/65/551529765.db2.gz	CPVIOIUNVGCLJS-XCZPVHLTSA-N	0	1	513.590	5.422	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1	ZINC000000703180	551531012	/nfs/dbraw/zinc/53/10/12/551531012.db2.gz	WZWJLLHWJLTTRG-PMERELPUSA-N	0	1	564.594	5.219	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1	ZINC000000703179	551531025	/nfs/dbraw/zinc/53/10/25/551531025.db2.gz	ONWOSAATKMDHDT-ROTAYESASA-N	0	1	562.622	5.771	50	30		KKEAMN
COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccc(F)cc2)cc1	ZINC000000716934	551534696	/nfs/dbraw/zinc/53/46/96/551534696.db2.gz	AJHRYXJYNUHBHQ-HHHXNRCGSA-N	0	1	501.627	6.848	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1	ZINC000000718271	551535215	/nfs/dbraw/zinc/53/52/15/551535215.db2.gz	CLXOGWXCTKHVCL-QXNWPYRLSA-N	0	1	508.618	6.420	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2cccs2)cc1OC	ZINC000000719046	551535815	/nfs/dbraw/zinc/53/58/15/551535815.db2.gz	PGJNQOIPYBMJNZ-WHLCRQNOSA-N	0	1	500.620	6.076	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000000986568	551593057	/nfs/dbraw/zinc/59/30/57/551593057.db2.gz	JQCXXEPNSXRKKH-FWUCURJTSA-N	0	1	552.627	5.801	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1	ZINC000001103827	551609462	/nfs/dbraw/zinc/60/94/62/551609462.db2.gz	UMFNMKLDGFZXDF-UKPGIYTDSA-N	0	1	562.622	5.771	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(Br)c1	ZINC000001168233	551620196	/nfs/dbraw/zinc/62/01/96/551620196.db2.gz	VTPVYIFYCAVANL-NGOKVRLYSA-N	0	1	501.424	6.760	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3N=C3CC(C)(C)CC(=O)C3[C@H]2c2ccc(Cl)cc2)cc(OC)c1OC	ZINC000001218581	551627081	/nfs/dbraw/zinc/62/70/81/551627081.db2.gz	UYTRWBDFPMHRKY-MUUNZHRXSA-N	0	1	547.051	6.823	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccc(F)cc4)C3)[C@H]2c2cccs2)cc(OC)c1OC	ZINC000001249971	551632199	/nfs/dbraw/zinc/63/21/99/551632199.db2.gz	RDRFTBIJDMJKOY-PLTNMMHCSA-N	0	1	584.669	7.127	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000001299043	551637936	/nfs/dbraw/zinc/63/79/36/551637936.db2.gz	WQOXGCDAFJMLJU-ROTAYESASA-N	0	1	554.643	6.032	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(Br)cc2)cc1	ZINC000001411039	551664730	/nfs/dbraw/zinc/66/47/30/551664730.db2.gz	OHFFRYBPKRXGDP-SANMLTNESA-N	0	1	545.433	6.150	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O	ZINC000001413433	551665439	/nfs/dbraw/zinc/66/54/39/551665439.db2.gz	ZVZJHMXZIKLGND-AREMUKBSSA-N	0	1	561.432	5.856	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c1	ZINC000001413415	551665494	/nfs/dbraw/zinc/66/54/94/551665494.db2.gz	BSTXFWBWTNSVGD-RUZDIDTESA-N	0	1	531.406	5.760	50	30		KKEAMN
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1O	ZINC000001437516	551671372	/nfs/dbraw/zinc/67/13/72/551671372.db2.gz	UVNNOHLJUICXHP-WVDZOPJMSA-N	0	1	561.591	5.704	50	30		KKEAMN
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1O	ZINC000001437519	551671432	/nfs/dbraw/zinc/67/14/32/551671432.db2.gz	DJYXDWKMHGDAOI-RXAIFQJESA-N	0	1	547.564	5.314	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000001446814	551674286	/nfs/dbraw/zinc/67/42/86/551674286.db2.gz	OAKSJWYHEBMJLY-NRFANRHFSA-N	0	1	524.526	5.146	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Br)c2)cc1Cl	ZINC000001449447	551674883	/nfs/dbraw/zinc/67/48/83/551674883.db2.gz	ODSXENMGYSKLGG-JOCHJYFZSA-N	0	1	544.833	5.366	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc(OC)c2)cc1	ZINC000001456950	551676680	/nfs/dbraw/zinc/67/66/80/551676680.db2.gz	PINFLBBQVAGMKE-HPMVVLTCSA-N	0	1	530.624	6.918	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(Br)c2)nc1C	ZINC000001458638	551677354	/nfs/dbraw/zinc/67/73/54/551677354.db2.gz	JXDWEGODUOLYIB-GOSISDBHSA-N	0	1	527.396	5.174	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000001458961	551677666	/nfs/dbraw/zinc/67/76/66/551677666.db2.gz	QEMRRNBETSHQPM-WNSROMTISA-N	0	1	560.650	6.927	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000001464738	551679996	/nfs/dbraw/zinc/67/99/96/551679996.db2.gz	PDHCAPGFNALBJQ-SFHVURJKSA-N	0	1	517.390	5.718	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000001474132	551680658	/nfs/dbraw/zinc/68/06/58/551680658.db2.gz	MRRGQTIXIJSYGY-QFIPXVFZSA-N	0	1	530.558	5.796	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Br)c2)o1	ZINC000001479959	551681275	/nfs/dbraw/zinc/68/12/75/551681275.db2.gz	DEFINGCPYAFRPV-NRFANRHFSA-N	0	1	523.408	6.360	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000001480153	551681478	/nfs/dbraw/zinc/68/14/78/551681478.db2.gz	LBIORWHJBGRFHL-HSZRJFAPSA-N	0	1	536.993	5.758	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000001480904	551682165	/nfs/dbraw/zinc/68/21/65/551682165.db2.gz	RUPDTPBNONGHHK-NRFANRHFSA-N	0	1	539.407	6.142	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000001480905	551682236	/nfs/dbraw/zinc/68/22/36/551682236.db2.gz	RUPDTPBNONGHHK-OAQYLSRUSA-N	0	1	539.407	6.142	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC	ZINC000001481483	551682641	/nfs/dbraw/zinc/68/26/41/551682641.db2.gz	VLOFNAVWLWNJML-NRFANRHFSA-N	0	1	524.957	5.889	50	30		KKEAMN
Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000001832767	551711695	/nfs/dbraw/zinc/71/16/95/551711695.db2.gz	XQSRTGXRBMVFND-FYJGNVAPSA-N	0	1	500.649	5.886	50	30		KKEAMN
CCOC(=O)c1sc(/N=C/c2cc(Br)cc(Br)c2O)c(C(=O)OCC)c1C	ZINC000001954774	551735548	/nfs/dbraw/zinc/73/55/48/551735548.db2.gz	QQQAFEFIEHCWTK-ODCIPOBUSA-N	0	1	519.211	5.391	50	30		KKEAMN
Oc1c(I)cc(Cl)cc1/C=N/c1ccc(Cl)c(-c2nc3ccccc3o2)c1	ZINC000002186534	551787532	/nfs/dbraw/zinc/78/75/32/551787532.db2.gz	JTBCKPKCAPFSJS-YSURURNPSA-N	0	1	509.130	6.862	50	30		KKEAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(Cc2ccccc2Cl)C2=C1C(=O)CC(C)(C)C2	ZINC000002863469	552204647	/nfs/dbraw/zinc/20/46/47/552204647.db2.gz	UNUDBVACSUZELC-MHZLTWQESA-N	0	1	543.973	5.613	50	30		KKEAMN
Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(I)c3)nc2c1	ZINC000003102989	552288115	/nfs/dbraw/zinc/28/81/15/552288115.db2.gz	AJLQUXRWFGXGJR-YSURURNPSA-N	0	1	509.130	6.862	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3Cl)nc2c1	ZINC000003113917	552290142	/nfs/dbraw/zinc/29/01/42/552290142.db2.gz	IHDKOMDVQHJYPA-YCPBAFNGSA-N	0	1	524.571	7.269	50	30		KKEAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(CCc2ccccc2)C2=C1C(=O)CC(C)(C)C2	ZINC000003626890	552395865	/nfs/dbraw/zinc/39/58/65/552395865.db2.gz	VNWRZIFECDBPJV-NDEPHWFRSA-N	0	1	523.555	5.002	50	30		KKEAMN
O=C(CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2s1)Nc1ccc(F)cc1	ZINC000003663603	552408070	/nfs/dbraw/zinc/40/80/70/552408070.db2.gz	QZEAOHQVSQZBFM-NSKAYECMSA-N	0	1	506.411	6.929	50	30		KKEAMN
O=C(CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2s1)NC1CCCCC1	ZINC000003664752	552408577	/nfs/dbraw/zinc/40/85/77/552408577.db2.gz	HPTVRIUROYHSJQ-OPEKNORGSA-N	0	1	583.371	6.819	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000003772480	552417903	/nfs/dbraw/zinc/41/79/03/552417903.db2.gz	CQCWNWDQEVCYEO-UGDMGKLASA-N	0	1	533.499	8.474	50	30		KKEAMN
COc1ccc(-c2nc3cc(/N=C/c4cc(I)cc(I)c4O)ccc3o2)cc1Br	ZINC000004018569	552429727	/nfs/dbraw/zinc/42/97/27/552429727.db2.gz	PXSZXSLDZPWHRS-KIBLKLHPSA-N	0	1	675.058	6.931	50	30		KKEAMN
CC(C)Oc1c(I)cc(C=NN=c2[nH]c3ccccc3[nH]2)cc1I	ZINC000004113173	552438717	/nfs/dbraw/zinc/43/87/17/552438717.db2.gz	FWCNAFGRBQWUKZ-AWQFTUOYSA-N	0	1	546.150	5.005	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1	ZINC000004635179	552469478	/nfs/dbraw/zinc/46/94/78/552469478.db2.gz	SKUVHIXPIKSNIU-XMMPIXPASA-N	0	1	535.825	6.405	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1	ZINC000004635164	552469482	/nfs/dbraw/zinc/46/94/82/552469482.db2.gz	QANKBPJWWMOPAM-DEOSSOPVSA-N	0	1	535.825	6.405	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3C)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000005355123	552498315	/nfs/dbraw/zinc/49/83/15/552498315.db2.gz	HBJUQQYSRAUAOQ-OAQYLSRUSA-N	0	1	541.025	5.772	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)c(C)c1	ZINC000005355068	552498320	/nfs/dbraw/zinc/49/83/20/552498320.db2.gz	PVVZHKIPSOIXEQ-JOCHJYFZSA-N	0	1	538.597	5.647	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000005355245	552498610	/nfs/dbraw/zinc/49/86/10/552498610.db2.gz	ZODDBSSJTXWHFG-NRFANRHFSA-N	0	1	541.025	5.772	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)cc2)cc1C	ZINC000005355371	552498691	/nfs/dbraw/zinc/49/86/91/552498691.db2.gz	FRQXSEBTQZLAED-HSZRJFAPSA-N	0	1	550.633	5.517	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)cc1C	ZINC000005355559	552498924	/nfs/dbraw/zinc/49/89/24/552498924.db2.gz	IBBMIUGRZZIXNW-NRFANRHFSA-N	0	1	524.570	5.257	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000005355759	552498950	/nfs/dbraw/zinc/49/89/50/552498950.db2.gz	PQNKSDPCPCKJGW-LJQANCHMSA-N	0	1	531.417	6.026	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000005918792	552511981	/nfs/dbraw/zinc/51/19/81/552511981.db2.gz	SGHUHRHOFHUTDE-HMILPKGGSA-N	0	1	528.605	5.371	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(O)c(OCC)c2)c(C)c1	ZINC000005919004	552512015	/nfs/dbraw/zinc/51/20/15/552512015.db2.gz	CTMHWFFDWNKRTQ-HSZRJFAPSA-N	0	1	566.632	5.223	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)cc1C	ZINC000005919757	552512242	/nfs/dbraw/zinc/51/22/42/552512242.db2.gz	HFLIPYLIUGBBTK-JOCHJYFZSA-N	0	1	536.581	5.423	50	30		KKEAMN
COc1ccc(NC(=S)NC(=O)c2ccc(Oc3ccccc3)cc2)cc1NS(=O)(=O)c1ccc(F)cc1	ZINC000006146432	552547985	/nfs/dbraw/zinc/54/79/85/552547985.db2.gz	ZPKZHTGYEPLWTR-UHFFFAOYSA-N	0	1	551.621	6.129	50	30		KKEAMN
COc1ccc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccc(F)cc4)CC(=O)C3[C@@H]2c2ccccc2Cl)cc1	ZINC000006289633	552578855	/nfs/dbraw/zinc/57/88/55/552578855.db2.gz	JKFZVNAGYLWBEU-ICACTRECSA-N	0	1	553.033	7.702	50	30		KKEAMN
COC(=O)c1c(/N=C/c2cc(I)cc(I)c2O)sc2c1CCCC2	ZINC000006879005	552976180	/nfs/dbraw/zinc/97/61/80/552976180.db2.gz	ZNGROSWLBCQQHB-DNTJNYDQSA-N	0	1	567.186	5.079	50	30		KKEAMN
CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC	ZINC000008195621	552984373	/nfs/dbraw/zinc/98/43/73/552984373.db2.gz	MHFRGQHAERHWKZ-HHHXNRCGSA-O	0	1	524.744	7.119	50	30	investigational	KKEAMN
CN(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000008383431	552986585	/nfs/dbraw/zinc/98/65/85/552986585.db2.gz	DFLWDGWAFPUJKO-RUZDIDTESA-N	0	1	603.125	7.079	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000008383476	552986720	/nfs/dbraw/zinc/98/67/20/552986720.db2.gz	XFDYLVMHYNYJAK-MUUNZHRXSA-N	0	1	629.735	8.068	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1ccc(Cl)cc1	ZINC000008383450	552986763	/nfs/dbraw/zinc/98/67/63/552986763.db2.gz	UJGNUEZDJMMGCF-QHCPKHFHSA-N	0	1	578.046	7.152	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	ZINC000008383864	552987669	/nfs/dbraw/zinc/98/76/69/552987669.db2.gz	URSLAVQSKAELDS-WRONEBCDSA-N	0	1	543.616	5.212	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(Br)cc3)s2)cc1	ZINC000008383954	552987993	/nfs/dbraw/zinc/98/79/93/552987993.db2.gz	REWCLZOZWZKHBC-XMMPIXPASA-N	0	1	618.534	7.430	50	30		KKEAMN
Cc1ccc(Nc2nc(=NN=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc(N3CCOCC3)[nH]2)cc1Cl	ZINC000008386715	552992624	/nfs/dbraw/zinc/99/26/24/552992624.db2.gz	UANOSVAUVVZVOP-JFLMPSFJSA-N	0	1	534.964	5.028	50	30		KKEAMN
CCC1S/C(=N/N=C/c2c(OS(=O)(=O)c3cc(Br)ccc3Br)ccc3ccccc32)NC1=O	ZINC000008387162	552993249	/nfs/dbraw/zinc/99/32/49/552993249.db2.gz	DCICQSFBACSAGE-QZUPYORJSA-N	0	1	611.337	5.464	50	30		KKEAMN
CCCCC1S/C(=N/N=C/c2c(OS(=O)(=O)c3ccc(OCC)cc3)ccc3ccccc32)NC1=O	ZINC000008387158	552993298	/nfs/dbraw/zinc/99/32/98/552993298.db2.gz	GXPBRVXJTCFUET-VNSNFZHPSA-N	0	1	525.652	5.118	50	30		KKEAMN
O=[N+]([O-])c1ccccc1-c1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)o1	ZINC000008397362	552996620	/nfs/dbraw/zinc/99/66/20/552996620.db2.gz	KHZAPFKLYDGRIF-JVWAILMASA-N	0	1	502.510	5.359	50	30		KKEAMN
Cc1cccc(C)c1NC(=O)CSc1nc(C)c(C=C(O)c2ccc(Br)cc2)c(C)c1C#N	ZINC000008416424	553012237	/nfs/dbraw/zinc/01/22/37/553012237.db2.gz	XHNFTZVYDDTXBO-UHFFFAOYSA-N	0	1	522.468	6.106	50	30		KKEAMN
Cc1cccc(-c2nc3cc(/N=C/c4cc(I)cc(I)c4O)ccc3o2)c1	ZINC000008427380	553019872	/nfs/dbraw/zinc/01/98/72/553019872.db2.gz	LDWQYRLZPDPJMR-BHGWPJFGSA-N	0	1	580.163	6.469	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@@H]2c2cccc(I)c2)C1	ZINC000008432103	553025122	/nfs/dbraw/zinc/02/51/22/553025122.db2.gz	VJOVNQYQNOQWFB-MUUNZHRXSA-N	0	1	562.451	6.677	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1	ZINC000008432098	553025169	/nfs/dbraw/zinc/02/51/69/553025169.db2.gz	LHELGHRABIDSDF-JGCGQSQUSA-N	0	1	508.662	7.251	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000008432781	553027175	/nfs/dbraw/zinc/02/71/75/553027175.db2.gz	QFAMGRNVYIOMRZ-WKRVVKTRSA-N	0	1	546.633	8.314	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@@H](c4cccc(F)c4)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000008433082	553028033	/nfs/dbraw/zinc/02/80/33/553028033.db2.gz	OXHAKRSVPWRXSM-APYJYERMSA-N	0	1	587.478	8.356	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@H](c4cccc(F)c4)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000008433080	553028056	/nfs/dbraw/zinc/02/80/56/553028056.db2.gz	OXHAKRSVPWRXSM-GHRAFVERSA-N	0	1	587.478	8.356	50	30		KKEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(OCc2ccccc2)cc1	ZINC000008440934	553039017	/nfs/dbraw/zinc/03/90/17/553039017.db2.gz	QYCIBPCTVFHBBU-MUUNZHRXSA-N	0	1	591.502	5.329	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000008441063	553039606	/nfs/dbraw/zinc/03/96/06/553039606.db2.gz	LIFNMQVLRQUYRR-QFIPXVFZSA-N	0	1	553.865	7.058	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccc(Br)c1	ZINC000008441209	553039752	/nfs/dbraw/zinc/03/97/52/553039752.db2.gz	MBNCAZUTZUXXGG-QHCPKHFHSA-N	0	1	604.507	7.122	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc(Br)c1O	ZINC000008441181	553039765	/nfs/dbraw/zinc/03/97/65/553039765.db2.gz	LYRPCYMJDPFTPS-HXUWFJFHSA-N	0	1	583.416	5.660	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1	ZINC000008441167	553039825	/nfs/dbraw/zinc/03/98/25/553039825.db2.gz	LWLPAUIRAUZKMA-HSZRJFAPSA-N	0	1	514.559	5.748	50	30		KKEAMN
CCc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000008441240	553040116	/nfs/dbraw/zinc/04/01/16/553040116.db2.gz	GUMPOEGQJWQZCT-VWLOTQADSA-N	0	1	553.665	6.922	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(OCc2ccccc2)cc1	ZINC000008441575	553041221	/nfs/dbraw/zinc/04/12/21/553041221.db2.gz	MIBIHBPXAFUHKK-NDEPHWFRSA-N	0	1	523.541	5.408	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1ccc(O)cc1	ZINC000008441778	553042380	/nfs/dbraw/zinc/04/23/80/553042380.db2.gz	ZDIIYOJEXWCIFY-HHHXNRCGSA-N	0	1	591.670	7.218	50	30		KKEAMN
CCCC[C@H](CC)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OCCC)c(OC)c1	ZINC000008443998	553048902	/nfs/dbraw/zinc/04/89/02/553048902.db2.gz	SRLSLNUPEKAHCA-WKRVVKTRSA-N	0	1	532.725	7.843	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1OCCC	ZINC000008444096	553048988	/nfs/dbraw/zinc/04/89/88/553048988.db2.gz	YRAMIVRCEXKZOZ-XKWLHOGNSA-N	0	1	552.715	7.965	50	30		KKEAMN
CCCCOc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000008444106	553049296	/nfs/dbraw/zinc/04/92/96/553049296.db2.gz	KUHFNBIQGOQYCS-CVYDZTKKSA-N	0	1	542.679	8.080	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2ccc(F)cc2)cc1	ZINC000008444539	553050829	/nfs/dbraw/zinc/05/08/29/553050829.db2.gz	LHVCUCBFYKJEEH-IPBJYNAHSA-N	0	1	508.637	7.434	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000008445110	553053112	/nfs/dbraw/zinc/05/31/12/553053112.db2.gz	WDTNHCDLAXJEON-FLASPHMUSA-N	0	1	569.658	7.093	50	30		KKEAMN
Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000008450851	553059508	/nfs/dbraw/zinc/05/95/08/553059508.db2.gz	AABSDELTGRHGBY-ZOYWYXQUSA-N	0	1	529.596	7.118	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000008464641	553075717	/nfs/dbraw/zinc/07/57/17/553075717.db2.gz	DNMISWFTXQNGDM-OAQYLSRUSA-N	0	1	532.312	6.259	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000008695574	553122210	/nfs/dbraw/zinc/12/22/10/553122210.db2.gz	CQCWNWDQEVCYEO-WKRVVKTRSA-N	0	1	533.499	8.474	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000008837193	553163756	/nfs/dbraw/zinc/16/37/56/553163756.db2.gz	VSHGQSWLQCEZQE-HSZRJFAPSA-N	0	1	520.538	5.244	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000008838143	553164925	/nfs/dbraw/zinc/16/49/25/553164925.db2.gz	UOVWCLCCXNKFKL-HSZRJFAPSA-N	0	1	520.538	5.244	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000008838249	553164991	/nfs/dbraw/zinc/16/49/91/553164991.db2.gz	ZFRWCHNKHGKXSV-QHCPKHFHSA-N	0	1	504.539	5.626	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2F)cc1	ZINC000008857934	553168507	/nfs/dbraw/zinc/16/85/07/553168507.db2.gz	VHCAGTHZXWJGRN-NRFANRHFSA-N	0	1	524.570	5.339	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000008898764	553180416	/nfs/dbraw/zinc/18/04/16/553180416.db2.gz	ZTILVJQIJIKHJB-QFIPXVFZSA-N	0	1	518.547	5.166	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000008899589	553180800	/nfs/dbraw/zinc/18/08/00/553180800.db2.gz	BYGMPYGHBDTNNG-HSZRJFAPSA-N	0	1	505.368	5.187	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000008973790	553195502	/nfs/dbraw/zinc/19/55/02/553195502.db2.gz	ONCLJUSJTICOIZ-DEOSSOPVSA-N	0	1	518.566	6.016	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCC)c(OC)c2)cc1C	ZINC000008996429	553197157	/nfs/dbraw/zinc/19/71/57/553197157.db2.gz	YHAIFBPUVNAOHU-NDEPHWFRSA-N	0	1	530.621	5.755	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000008996851	553197496	/nfs/dbraw/zinc/19/74/96/553197496.db2.gz	HBYIJYAPFUSFEK-NDEPHWFRSA-N	0	1	506.558	6.051	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000009007608	553198094	/nfs/dbraw/zinc/19/80/94/553198094.db2.gz	VOXLSTWCAFWPMI-HSZRJFAPSA-N	0	1	520.994	6.140	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000009019000	553200789	/nfs/dbraw/zinc/20/07/89/553200789.db2.gz	MHKQWMZHLPKYJF-UKJJDJLKSA-N	0	1	522.645	6.954	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000009043392	553202932	/nfs/dbraw/zinc/20/29/32/553202932.db2.gz	VFJPFTHRPIAHPP-QHCPKHFHSA-N	0	1	514.409	5.647	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000009046048	553203570	/nfs/dbraw/zinc/20/35/70/553203570.db2.gz	YMZZXLVYBKPAKQ-JOCHJYFZSA-N	0	1	508.958	6.270	50	30		KKEAMN
O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1)C(F)(F)F	ZINC000009057826	553204896	/nfs/dbraw/zinc/20/48/96/553204896.db2.gz	TXDKRWZQCFVRSL-NSYGIPOTSA-N	0	1	514.906	6.942	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@H](c4cccc([N+](=O)[O-])c4)CC3=O)Nc3ccccc3N2C(C)=O)cc1OC	ZINC000009059101	553204926	/nfs/dbraw/zinc/20/49/26/553204926.db2.gz	VECBMELOEXSNLQ-WRONEBCDSA-N	0	1	513.550	5.533	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000009073705	553207313	/nfs/dbraw/zinc/20/73/13/553207313.db2.gz	GQHJIPYBIVURRG-JOCHJYFZSA-N	0	1	504.589	5.714	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)ccc1OC(C)C	ZINC000009086035	553208339	/nfs/dbraw/zinc/20/83/39/553208339.db2.gz	LRSFLGOEPFAOSG-XMMPIXPASA-N	0	1	521.411	5.718	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000009122753	553212166	/nfs/dbraw/zinc/21/21/66/553212166.db2.gz	YNSNWNCWBYZRNA-JOCHJYFZSA-N	0	1	508.958	6.270	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000009175794	553216044	/nfs/dbraw/zinc/21/60/44/553216044.db2.gz	VFJPFTHRPIAHPP-HSZRJFAPSA-N	0	1	514.409	5.647	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000009177660	553216367	/nfs/dbraw/zinc/21/63/67/553216367.db2.gz	ZHKKDMWXGICBHY-RUZDIDTESA-N	0	1	501.539	5.256	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1	ZINC000009185004	553217008	/nfs/dbraw/zinc/21/70/08/553217008.db2.gz	UCBQZXLOQCZLJD-JOCHJYFZSA-N	0	1	506.605	5.938	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)cc2OC)cc1	ZINC000009192426	553218784	/nfs/dbraw/zinc/21/87/84/553218784.db2.gz	JATOBWCHCMJEGX-SANMLTNESA-N	0	1	502.567	5.056	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000009234110	553224795	/nfs/dbraw/zinc/22/47/95/553224795.db2.gz	JTXMYGZLJVJTGN-OAQYLSRUSA-N	0	1	508.577	5.167	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCCC(C)C	ZINC000009243381	553226727	/nfs/dbraw/zinc/22/67/27/553226727.db2.gz	DNNCPEWEASQIHN-DEOSSOPVSA-N	0	1	510.974	5.853	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCCC(C)C	ZINC000009243379	553226792	/nfs/dbraw/zinc/22/67/92/553226792.db2.gz	DNNCPEWEASQIHN-XMMPIXPASA-N	0	1	510.974	5.853	50	30		KKEAMN
COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)Nc1ccc(C)cc1	ZINC000009264339	553229073	/nfs/dbraw/zinc/22/90/73/553229073.db2.gz	CWWQEVCDBWGAEL-ROTAYESASA-N	0	1	519.601	7.203	50	30		KKEAMN
COc1ccccc1[C@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)c1ccc(Cl)cc1	ZINC000009264309	553229081	/nfs/dbraw/zinc/22/90/81/553229081.db2.gz	SFAWVCRWIQADHX-WRGVRERRSA-N	0	1	525.004	7.156	50	30		KKEAMN
COc1ccccc1[C@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)c1ccc(Cl)cc1	ZINC000009264311	553229094	/nfs/dbraw/zinc/22/90/94/553229094.db2.gz	SFAWVCRWIQADHX-KEEVHDRGSA-N	0	1	525.004	7.156	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000009271475	553231056	/nfs/dbraw/zinc/23/10/56/553231056.db2.gz	PIUGQNPRTSIZPS-IBGZPJMESA-N	0	1	511.422	6.212	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000009292777	553235137	/nfs/dbraw/zinc/23/51/37/553235137.db2.gz	ZFKZQAFBBAFMGH-HMILPKGGSA-N	0	1	528.605	5.371	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000009302130	553236444	/nfs/dbraw/zinc/23/64/44/553236444.db2.gz	REFBCNZLLMWWFR-QHCPKHFHSA-N	0	1	504.514	5.922	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)cc1OCC	ZINC000009308824	553237717	/nfs/dbraw/zinc/23/77/17/553237717.db2.gz	AUPDNFBQXZWBKL-PIIWDFAUSA-N	0	1	537.653	5.593	50	30		KKEAMN
Cc1cc(/C=C2/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000009311160	553239325	/nfs/dbraw/zinc/23/93/25/553239325.db2.gz	AZFQTKCZYHOTNX-XKZIYDEJSA-N	0	1	514.676	5.354	50	30		KKEAMN
Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	ZINC000009311834	553239979	/nfs/dbraw/zinc/23/99/79/553239979.db2.gz	SSFSCLWSYYZNTI-WKULSOCRSA-N	0	1	509.393	7.334	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000009312106	553240050	/nfs/dbraw/zinc/24/00/50/553240050.db2.gz	XLOQOPKCXREUEG-WRONEBCDSA-N	0	1	527.617	5.976	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000009312550	553240483	/nfs/dbraw/zinc/24/04/83/553240483.db2.gz	ZMAOLLWTTOFNOK-HMILPKGGSA-N	0	1	513.590	5.238	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000009328948	553242005	/nfs/dbraw/zinc/24/20/05/553242005.db2.gz	AJWUGSWPBSUULJ-HMILPKGGSA-N	0	1	531.605	5.959	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(Br)cc3)ccc2O1	ZINC000009353970	553245784	/nfs/dbraw/zinc/24/57/84/553245784.db2.gz	CQTBWVBAGCULNB-VOIUYBSRSA-N	0	1	504.380	5.551	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000009354474	553245993	/nfs/dbraw/zinc/24/59/93/553245993.db2.gz	WKVXBMVLYYIAKU-MYUZEXMDSA-N	0	1	515.562	5.345	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000009354354	553246009	/nfs/dbraw/zinc/24/60/09/553246009.db2.gz	RSBVPKHOVNRWSP-WRONEBCDSA-N	0	1	525.601	5.752	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1	ZINC000009357535	553246920	/nfs/dbraw/zinc/24/69/20/553246920.db2.gz	DBTLCABPVWVVCQ-SHACYNPGSA-N	0	1	516.550	5.550	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000009357946	553247288	/nfs/dbraw/zinc/24/72/88/553247288.db2.gz	IWUWXJDJEHBDJR-JCQPUDPBSA-N	0	1	504.514	5.681	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1	ZINC000009359180	553247970	/nfs/dbraw/zinc/24/79/70/553247970.db2.gz	MNOHKPKIHOKOJW-PIIWDFAUSA-N	0	1	512.606	5.608	50	30		KKEAMN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000009380431	553251755	/nfs/dbraw/zinc/25/17/55/553251755.db2.gz	XEBIEVWRYVPJLF-QHCPKHFHSA-N	0	1	508.416	5.438	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccs3)ccc2O1	ZINC000009403675	553255418	/nfs/dbraw/zinc/25/54/18/553255418.db2.gz	LIGUEBHFSASPQI-XUSGNXJCSA-N	0	1	509.008	6.118	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000009424246	553258467	/nfs/dbraw/zinc/25/84/67/553258467.db2.gz	UMNGOQDPDCPEEE-ONOMSOESSA-N	0	1	511.618	6.010	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000009424245	553258519	/nfs/dbraw/zinc/25/85/19/553258519.db2.gz	UMNGOQDPDCPEEE-LGGPFLRQSA-N	0	1	511.618	6.010	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000009425079	553259000	/nfs/dbraw/zinc/25/90/00/553259000.db2.gz	FYFYHCNKNOAVND-MHZLTWQESA-N	0	1	514.578	5.200	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4C)cc3)[C@H]2c2ccc(F)cc2)s1	ZINC000009424921	553259129	/nfs/dbraw/zinc/25/91/29/553259129.db2.gz	ARDDOWVZCSVPSO-XMMPIXPASA-N	0	1	515.566	5.656	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1	ZINC000009425317	553259353	/nfs/dbraw/zinc/25/93/53/553259353.db2.gz	KHVKMDWIYIRUER-LJAQVGFWSA-N	0	1	509.719	7.998	50	30		KKEAMN
COc1cc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC	ZINC000009427483	553259824	/nfs/dbraw/zinc/25/98/24/553259824.db2.gz	UPNKLMYBXKPODX-DFXYEROKSA-N	0	1	524.617	6.023	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000009436672	553264500	/nfs/dbraw/zinc/26/45/00/553264500.db2.gz	LAKRLJVDSJJIMM-MUUNZHRXSA-N	0	1	513.590	5.661	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000009460813	553266939	/nfs/dbraw/zinc/26/69/39/553266939.db2.gz	VTYUUAYYGPBBMT-AREMUKBSSA-N	0	1	505.014	5.367	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000009460813	553266941	/nfs/dbraw/zinc/26/69/41/553266941.db2.gz	VTYUUAYYGPBBMT-AREMUKBSSA-N	0	1	505.014	5.367	50	30		KKEAMN
CCCCC1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2cccc3ccccc32)C1=O	ZINC000009462143	553268114	/nfs/dbraw/zinc/26/81/14/553268114.db2.gz	ZQQDXVNIFYOVEW-XTDYFLGJSA-N	0	1	524.484	6.635	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1	ZINC000009463551	553269184	/nfs/dbraw/zinc/26/91/84/553269184.db2.gz	ARQHVLPKOQRZIF-MUUNZHRXSA-N	0	1	513.590	5.805	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000009463978	553269318	/nfs/dbraw/zinc/26/93/18/553269318.db2.gz	KEFQSGHBHPCFTH-UZTOHYMASA-N	0	1	501.579	5.951	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccs1)c1ccc2c(c1)OCCO2	ZINC000009471261	553269714	/nfs/dbraw/zinc/26/97/14/553269714.db2.gz	WAWQAUIJEUSICR-FQEVSTJZSA-N	0	1	510.980	5.565	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000009507417	553275991	/nfs/dbraw/zinc/27/59/91/553275991.db2.gz	HARGPBPRGKWQTP-NDEPHWFRSA-N	0	1	525.004	6.401	50	30		KKEAMN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cccc(F)c2)cc1	ZINC000009510940	553276333	/nfs/dbraw/zinc/27/63/33/553276333.db2.gz	PXFLDFFHZYJPMO-NLGDKJDOSA-N	0	1	502.589	7.349	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccs2)s1	ZINC000009540741	553277715	/nfs/dbraw/zinc/27/77/15/553277715.db2.gz	NUFILCIFHNUTKG-JOCHJYFZSA-N	0	1	503.605	5.578	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1C	ZINC000009993923	553324443	/nfs/dbraw/zinc/32/44/43/553324443.db2.gz	QMIOODYBGIHBCD-XMMPIXPASA-N	0	1	521.411	5.720	50	30		KKEAMN
CC(C)(C)c1ccc(C(=O)ONC(=N)Cc2ccc(OCc3ncc(C(F)(F)F)cc3Cl)cc2)cc1	ZINC000012369882	553360089	/nfs/dbraw/zinc/36/00/89/553360089.db2.gz	UETKNJFMCLKBRA-UHFFFAOYSA-N	0	1	519.951	6.302	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000012411378	553363393	/nfs/dbraw/zinc/36/33/93/553363393.db2.gz	FANTWRKFOPMDJF-FYSMJZIKSA-N	0	1	526.611	5.321	50	30		KKEAMN
O=C(NCc1ccco1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000012652326	553409994	/nfs/dbraw/zinc/40/99/94/553409994.db2.gz	VYTDSNHQXABWSQ-WHLCRQNOSA-N	0	1	513.981	6.810	50	30		KKEAMN
COc1ccccc1[C@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)c1ccc(C)cc1	ZINC000012652384	553410003	/nfs/dbraw/zinc/41/00/03/553410003.db2.gz	CPOJYNXPCLRADE-UVDDSOTQSA-N	0	1	504.586	6.811	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000013552686	553470898	/nfs/dbraw/zinc/47/08/98/553470898.db2.gz	DGWKTSPIAJMVLV-NRFANRHFSA-N	0	1	504.589	5.490	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000013570373	553473691	/nfs/dbraw/zinc/47/36/91/553473691.db2.gz	HDPWQUIQAOTCAU-VWLOTQADSA-N	0	1	501.539	5.256	50	30		KKEAMN
CCOc1ccccc1-c1n[nH]c(SCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)n1	ZINC000016448441	553564960	/nfs/dbraw/zinc/56/49/60/553564960.db2.gz	YFUVVIMCVFCEMS-UHFFFAOYSA-N	0	1	521.602	6.400	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000016729948	553576042	/nfs/dbraw/zinc/57/60/42/553576042.db2.gz	CSGVPFXMNVKXPH-PXJZQJOASA-N	0	1	527.617	6.415	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000016729894	553576104	/nfs/dbraw/zinc/57/61/04/553576104.db2.gz	UCDSTHJBBOJQSA-RBJSKKJNSA-N	0	1	537.653	5.666	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(OCC)cc2)nc1C	ZINC000016730280	553576454	/nfs/dbraw/zinc/57/64/54/553576454.db2.gz	QFLPQSWKAXIIMG-OAQYLSRUSA-N	0	1	524.570	5.257	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccccc2F)nc1C	ZINC000016730395	553576580	/nfs/dbraw/zinc/57/65/80/553576580.db2.gz	ALOOPPQKFMMITO-HXUWFJFHSA-N	0	1	510.518	5.164	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2cccnc2)cc1	ZINC000016730899	553576939	/nfs/dbraw/zinc/57/69/39/553576939.db2.gz	PWCOVFORRURBFT-HHHXNRCGSA-N	0	1	516.594	5.446	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2cccnc2)cc1	ZINC000016731235	553577145	/nfs/dbraw/zinc/57/71/45/553577145.db2.gz	IZZDCNRMCIZSGN-AREMUKBSSA-N	0	1	504.558	5.577	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2ccc(Cl)cc2Cl)cc1	ZINC000016732180	553577565	/nfs/dbraw/zinc/57/75/65/553577565.db2.gz	CNRIAVNUAFDKNO-IBGZPJMESA-N	0	1	517.390	5.752	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000016736946	553579074	/nfs/dbraw/zinc/57/90/74/553579074.db2.gz	PMOLETRXSAFIOE-MUUNZHRXSA-N	0	1	525.004	6.401	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000016741413	553579797	/nfs/dbraw/zinc/57/97/97/553579797.db2.gz	SHDUSANTIQGSEP-WNCULLNHSA-N	0	1	513.546	5.007	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc(Cl)c3)C2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000017138634	553588637	/nfs/dbraw/zinc/58/86/37/553588637.db2.gz	SKZVPBWBBAYSBV-WRGVRERRSA-N	0	1	517.025	6.668	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(O)cc2)cc1	ZINC000017196774	553590168	/nfs/dbraw/zinc/59/01/68/553590168.db2.gz	SZICAGVRBYQZMZ-NDEPHWFRSA-N	0	1	523.589	5.145	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000070672803	553602665	/nfs/dbraw/zinc/60/26/65/553602665.db2.gz	ZSQUSLALPQALPW-GEFUHLBYSA-N	0	1	544.648	6.786	50	30	biogenic	KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1	ZINC000018105962	553604504	/nfs/dbraw/zinc/60/45/04/553604504.db2.gz	KFWHLJAZLWQBRL-JXSYCYSGSA-N	0	1	528.652	7.576	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl	ZINC000018115300	553604724	/nfs/dbraw/zinc/60/47/24/553604724.db2.gz	POLJJJIQMJYCTQ-BGOLNKOXSA-N	0	1	517.044	7.960	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(C)C)[C@@H]3c2ccc(F)cc2)cc1OC	ZINC000018116331	553604736	/nfs/dbraw/zinc/60/47/36/553604736.db2.gz	VWPJLJBEVRWZLJ-URAOTHONSA-N	0	1	514.597	6.400	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1cccc(OC)c1	ZINC000018142926	553606000	/nfs/dbraw/zinc/60/60/00/553606000.db2.gz	MLSJSZFTSVEINR-JIYROHSKSA-N	0	1	512.625	7.315	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@@H]2c2ccc(C(F)(F)F)cc2)C1	ZINC000018244244	553611111	/nfs/dbraw/zinc/61/11/11/553611111.db2.gz	CIQGUNRERSRGKF-AREMUKBSSA-N	0	1	521.608	7.719	50	30		KKEAMN
COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccc(F)cc2)c1	ZINC000018250727	553611573	/nfs/dbraw/zinc/61/15/73/553611573.db2.gz	LWWZDGPEXWLRMU-QYBDOPJKSA-N	0	1	510.487	6.297	50	30		KKEAMN
N#Cc1ccc([C@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1	ZINC000018254434	553611630	/nfs/dbraw/zinc/61/16/30/553611630.db2.gz	SNIBPKOEDAGUPW-CHJDUVSTSA-N	0	1	519.601	6.973	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1ccc(C#N)cc1	ZINC000018276799	553611812	/nfs/dbraw/zinc/61/18/12/553611812.db2.gz	HHQBUYJNJNCHOQ-NRUKRWIHSA-N	0	1	507.609	7.178	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(C)C)[C@H]3c2cccs2)cc1OC	ZINC000018284667	553612231	/nfs/dbraw/zinc/61/22/31/553612231.db2.gz	YIEXZJKFOWCLTR-VKGTZQKMSA-N	0	1	502.636	6.322	50	30		KKEAMN
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1	ZINC000019202485	553612780	/nfs/dbraw/zinc/61/27/80/553612780.db2.gz	LLJXFFJGMGLGNS-SSEXGKCCSA-N	0	1	520.080	6.795	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)cc1	ZINC000085994168	553692867	/nfs/dbraw/zinc/69/28/67/553692867.db2.gz	PBHFSZWKNHEKBL-NDEPHWFRSA-N	0	1	507.590	5.439	50	30		KKEAMN
Cc1ccc(CSc2nc3n(n2)[C@H](c2c(Cl)cccc2Cl)C2C(=O)CC(C)(C)CC2=N3)c(C)c1	ZINC000020850897	553699875	/nfs/dbraw/zinc/69/98/75/553699875.db2.gz	GXCKSZFDLVSFPE-HSZRJFAPSA-N	0	1	513.494	7.152	50	30		KKEAMN
Cc1ccc(CSc2nc3n(n2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N3)c(C)c1	ZINC000020850701	553699916	/nfs/dbraw/zinc/69/99/16/553699916.db2.gz	XIRSKCPVOZOLGX-QHCPKHFHSA-N	0	1	513.494	7.152	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000095201995	553700721	/nfs/dbraw/zinc/70/07/21/553700721.db2.gz	LQCAPZFOMOXRHZ-CMJOXMDJSA-N	0	1	512.584	5.074	50	30		KKEAMN
CCOC(=O)[C@@](O)(c1ccc(NC(NC(=O)c2ccccc2OCC)(C(F)(F)F)C(F)(F)F)c(OC)c1)C(F)(F)F	ZINC000095725692	553710614	/nfs/dbraw/zinc/71/06/14/553710614.db2.gz	KPBHWSLEACNTPG-FQEVSTJZSA-N	0	1	606.438	5.070	50	30		KKEAMN
C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21	ZINC000096114602	553725441	/nfs/dbraw/zinc/72/54/41/553725441.db2.gz	IJSMTWMIPNTWQJ-GOSISDBHSA-N	0	1	500.503	5.276	50	30	biogenic	KKEAMN
C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)Oc2c(O)c(=O)c3c(O)cc(-c4ccccc4)oc-3c21	ZINC000096114602	553725443	/nfs/dbraw/zinc/72/54/43/553725443.db2.gz	IJSMTWMIPNTWQJ-GOSISDBHSA-N	0	1	500.503	5.276	50	30	biogenic	KKEAMN
CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000096295715	553748384	/nfs/dbraw/zinc/74/83/84/553748384.db2.gz	YHBZXNNXEKIFGP-HSZRJFAPSA-N	0	1	524.415	5.101	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC	ZINC000097939532	553759726	/nfs/dbraw/zinc/75/97/26/553759726.db2.gz	JOWUBPYLGSVTKA-GDLZYMKVSA-N	0	1	598.677	7.412	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939649	553759986	/nfs/dbraw/zinc/75/99/86/553759986.db2.gz	XZRLNDZJAIVZRH-CLYVBNDRSA-N	0	1	576.627	5.354	50	30		KKEAMN
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000097939675	553760250	/nfs/dbraw/zinc/76/02/50/553760250.db2.gz	XKQRPVFREGTMQU-IQMFZBJNSA-N	0	1	544.651	5.028	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939692	553760544	/nfs/dbraw/zinc/76/05/44/553760544.db2.gz	MEJWMKDYRGRMQG-UPCLLVRISA-N	0	1	558.678	5.419	50	30		KKEAMN
CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1Cl	ZINC000097945649	553773612	/nfs/dbraw/zinc/77/36/12/553773612.db2.gz	PGQPWJLEXVHILY-KEEVHDRGSA-N	0	1	533.499	8.211	50	30		KKEAMN
COc1cccc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)c1	ZINC000097945711	553774147	/nfs/dbraw/zinc/77/41/47/553774147.db2.gz	WQGIJKUYLBKJIX-NRUKRWIHSA-N	0	1	535.043	7.563	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@H]2c2ccc(OCc3ccccc3)cc2)C1	ZINC000097947821	553788869	/nfs/dbraw/zinc/78/88/69/553788869.db2.gz	AKJDYZPIHUYHQC-DHUJRADRSA-N	0	1	542.679	7.651	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccccc3Cl)C2)cc1	ZINC000097948121	553791222	/nfs/dbraw/zinc/79/12/22/553791222.db2.gz	VPWWYTRFJBZEGV-WHLCRQNOSA-N	0	1	553.024	8.100	50	30		KKEAMN
O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1F	ZINC000097948469	553794134	/nfs/dbraw/zinc/79/41/34/553794134.db2.gz	RNJCMLBCIKPKEI-PKHCJMHPSA-N	0	1	572.467	8.739	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1Cl	ZINC000097948645	553795547	/nfs/dbraw/zinc/79/55/47/553795547.db2.gz	FCQMRHTYXCHRAB-HUBRWUETSA-N	0	1	589.607	9.772	50	30		KKEAMN
COc1cccc([C@@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)c1	ZINC000097948758	553796381	/nfs/dbraw/zinc/79/63/81/553796381.db2.gz	RHKMZFQMEZWVBQ-XFSFLGPDSA-N	0	1	602.493	8.747	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CSc2nc4ccccc4s2)[C@H]3c2cccs2)cc1	ZINC000097948876	553797405	/nfs/dbraw/zinc/79/74/05/553797405.db2.gz	GSRZBVWUZNNIHW-KTBRYMIGSA-N	0	1	609.798	8.059	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]3c2ccc(F)cc2)cc1	ZINC000097948966	553798130	/nfs/dbraw/zinc/79/81/30/553798130.db2.gz	OAXKKUNHFQHJDU-AOXBRHMESA-N	0	1	622.693	7.383	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000097951532	553809637	/nfs/dbraw/zinc/80/96/37/553809637.db2.gz	FZOJHFQBOMZLOC-SSEXGKCCSA-N	0	1	538.172	9.400	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C	ZINC000097951591	553809951	/nfs/dbraw/zinc/80/99/51/553809951.db2.gz	IYPACDDHHOXXFX-WJOKGBTCSA-N	0	1	548.639	6.996	50	30		KKEAMN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000097951686	553810566	/nfs/dbraw/zinc/81/05/66/553810566.db2.gz	RNWAFVXLEFPUEV-JOCHJYFZSA-N	0	1	540.797	6.062	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000097952235	553814067	/nfs/dbraw/zinc/81/40/67/553814067.db2.gz	JDNKZCCRVKGQNO-DEOSSOPVSA-N	0	1	542.573	5.425	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000097952259	553814446	/nfs/dbraw/zinc/81/44/46/553814446.db2.gz	JTKNYDNZVMQKOP-QHCPKHFHSA-N	0	1	533.005	6.082	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000097952534	553816263	/nfs/dbraw/zinc/81/62/63/553816263.db2.gz	BOYMKYVYCJJHEU-HSZRJFAPSA-N	0	1	531.546	5.313	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(Cl)c3)cc2)c1	ZINC000097952568	553816655	/nfs/dbraw/zinc/81/66/55/553816655.db2.gz	GKUMZANCHSRNEG-MUUNZHRXSA-N	0	1	542.035	6.093	50	30		KKEAMN
CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000097952604	553816957	/nfs/dbraw/zinc/81/69/57/553816957.db2.gz	CZCRITUEPQRFLD-SSEXGKCCSA-N	0	1	535.644	6.002	50	30		KKEAMN
CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1	ZINC000097952639	553817463	/nfs/dbraw/zinc/81/74/63/553817463.db2.gz	CEDHVXMBSQRJTQ-JBOQNHBVSA-N	0	1	512.650	6.785	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000097952991	553818445	/nfs/dbraw/zinc/81/84/45/553818445.db2.gz	XKAMXTAFKOLHOE-HSZRJFAPSA-N	0	1	534.977	5.512	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000097953032	553818897	/nfs/dbraw/zinc/81/88/97/553818897.db2.gz	PDARZBKLHHJIIH-MUUNZHRXSA-N	0	1	547.604	5.653	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1	ZINC000097953988	553820378	/nfs/dbraw/zinc/82/03/78/553820378.db2.gz	XPRAVUIGZNMGIS-GDLZYMKVSA-N	0	1	548.595	5.534	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000097953996	553820656	/nfs/dbraw/zinc/82/06/56/553820656.db2.gz	HTVSRSOYLYIHDI-LJAQVGFWSA-N	0	1	543.616	5.814	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000097954026	553820697	/nfs/dbraw/zinc/82/06/97/553820697.db2.gz	LJAAGQWKYKXPHW-HSZRJFAPSA-N	0	1	534.977	5.512	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000097954114	553821303	/nfs/dbraw/zinc/82/13/03/553821303.db2.gz	CSGNTBDHMOTJSV-UVDDSOTQSA-N	0	1	531.608	6.623	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097954244	553822519	/nfs/dbraw/zinc/82/25/19/553822519.db2.gz	KEMIBBGCUJIMDQ-JRPXNJEYSA-N	0	1	539.628	5.795	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097954243	553822576	/nfs/dbraw/zinc/82/25/76/553822576.db2.gz	KEMIBBGCUJIMDQ-URAOTHONSA-N	0	1	539.628	5.795	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097954502	553823570	/nfs/dbraw/zinc/82/35/70/553823570.db2.gz	CCOYEDSVCDXTJJ-WKRVVKTRSA-N	0	1	531.608	6.368	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097955061	553827884	/nfs/dbraw/zinc/82/78/84/553827884.db2.gz	COHFWDCMQFYUEK-NPMABZOXSA-N	0	1	537.424	6.709	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000097955077	553828261	/nfs/dbraw/zinc/82/82/61/553828261.db2.gz	JPMNYKVBWSIGRX-AREMUKBSSA-N	0	1	622.696	5.760	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C	ZINC000097955108	553828726	/nfs/dbraw/zinc/82/87/26/553828726.db2.gz	STGDNZMIQFUGIG-MHZLTWQESA-N	0	1	636.723	6.006	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1	ZINC000097955215	553829816	/nfs/dbraw/zinc/82/98/16/553829816.db2.gz	VQDGUISJXRILPG-PMERELPUSA-N	0	1	641.101	7.091	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097955252	553830251	/nfs/dbraw/zinc/83/02/51/553830251.db2.gz	FVPXETVHVVYOPQ-HEIROHQZSA-N	0	1	569.698	6.799	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O	ZINC000097955289	553830474	/nfs/dbraw/zinc/83/04/74/553830474.db2.gz	HZXOHJQHQPGFTD-XMMPIXPASA-N	0	1	623.481	5.944	50	30		KKEAMN
COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000027527729	553830908	/nfs/dbraw/zinc/83/09/08/553830908.db2.gz	OEWLKHQDFSOBIA-OAQYLSRUSA-N	0	1	509.312	5.149	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1	ZINC000097955637	553831989	/nfs/dbraw/zinc/83/19/89/553831989.db2.gz	MFISSRQSOXHHDR-JCQPUDPBSA-N	0	1	520.969	6.195	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000097955780	553833781	/nfs/dbraw/zinc/83/37/81/553833781.db2.gz	PCOKUXMMQZWNFL-HHHXNRCGSA-N	0	1	591.085	7.073	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000097955825	553834271	/nfs/dbraw/zinc/83/42/71/553834271.db2.gz	SFJJEROOMFYCJG-MUUNZHRXSA-N	0	1	535.556	5.656	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000097955835	553834281	/nfs/dbraw/zinc/83/42/81/553834281.db2.gz	JTRKYSNNLOICRC-RUZDIDTESA-N	0	1	526.570	5.276	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1OC	ZINC000097955869	553834621	/nfs/dbraw/zinc/83/46/21/553834621.db2.gz	LJMBYFDSUQGAHY-AREMUKBSSA-N	0	1	542.613	5.831	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccc(OCc2ccccc2)c1	ZINC000097956708	553841101	/nfs/dbraw/zinc/84/11/01/553841101.db2.gz	XJISNQOQOJPWLD-GDLZYMKVSA-N	0	1	534.568	5.210	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OCC)cc2)nc1C	ZINC000097956798	553841756	/nfs/dbraw/zinc/84/17/56/553841756.db2.gz	WWIGXJAPRKMINB-QFIPXVFZSA-N	0	1	536.606	5.127	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC=C)c(C)c3)[C@@H]2c2ccccc2F)nc1C	ZINC000097956876	553842977	/nfs/dbraw/zinc/84/29/77/553842977.db2.gz	XXRRWHOGRMJNRN-QHCPKHFHSA-N	0	1	548.592	5.590	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC=C)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000097956885	553843064	/nfs/dbraw/zinc/84/30/64/553843064.db2.gz	VAPMJTSSWBEJHV-RUZDIDTESA-N	0	1	574.655	5.849	50	30		KKEAMN
CCCC1S/C(=N/N=C/c2cc(Br)ccc2OC)N(Cc2cccc3ccccc32)C1=O	ZINC000031902252	553862076	/nfs/dbraw/zinc/86/20/76/553862076.db2.gz	WTMUXVDKPPSSBO-UTBFJIECSA-N	0	1	510.457	6.245	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000097966798	553910369	/nfs/dbraw/zinc/91/03/69/553910369.db2.gz	UJVNWNJBYJXVKH-LJAQVGFWSA-N	0	1	640.714	6.482	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000097966867	553911248	/nfs/dbraw/zinc/91/12/48/553911248.db2.gz	CKCDOWLWXQZWIN-UUWRZZSWSA-N	0	1	582.656	7.540	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Br)c1	ZINC000097966874	553911543	/nfs/dbraw/zinc/91/15/43/553911543.db2.gz	DXYJHNMWZWDCJK-LJAQVGFWSA-N	0	1	605.529	5.637	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000097966904	553911933	/nfs/dbraw/zinc/91/19/33/553911933.db2.gz	GJHOIVAKCYIXDO-WJOKGBTCSA-N	0	1	548.639	7.140	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1	ZINC000097966913	553911981	/nfs/dbraw/zinc/91/19/81/553911981.db2.gz	HEEQRHZPHKVVPP-LJAQVGFWSA-N	0	1	544.623	5.014	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000097966987	553912639	/nfs/dbraw/zinc/91/26/39/553912639.db2.gz	YPTWPZJQSOKWQL-JGCGQSQUSA-N	0	1	642.675	9.526	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C	ZINC000097967013	553912716	/nfs/dbraw/zinc/91/27/16/553912716.db2.gz	PGTJNLXOATZFDX-JRPXNJEYSA-N	0	1	556.659	6.007	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000097967096	553913986	/nfs/dbraw/zinc/91/39/86/553913986.db2.gz	VJOIBDUYMQIKCH-LJAQVGFWSA-N	0	1	548.724	5.628	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC	ZINC000097967243	553915697	/nfs/dbraw/zinc/91/56/97/553915697.db2.gz	NKPWOKYVJKSXCO-MUUNZHRXSA-N	0	1	628.703	6.316	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000097967249	553915735	/nfs/dbraw/zinc/91/57/35/553915735.db2.gz	CDFSDEPLHUZHRW-SSEXGKCCSA-N	0	1	557.643	6.060	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097967265	553916255	/nfs/dbraw/zinc/91/62/55/553916255.db2.gz	UCUBHESGQFBZIC-WGDIFIGCSA-N	0	1	620.152	6.989	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)s2)cc1	ZINC000097967307	553916836	/nfs/dbraw/zinc/91/68/36/553916836.db2.gz	DZENTNQWFCVRFB-JPQMRUPTSA-N	0	1	661.805	7.824	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097967360	553917744	/nfs/dbraw/zinc/91/77/44/553917744.db2.gz	RXSXRMPGJGOMKV-XDBZFTIUSA-N	0	1	664.205	7.388	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097967380	553917760	/nfs/dbraw/zinc/91/77/60/553917760.db2.gz	WLCAPYHJBBGDRB-PVAZPRTOSA-N	0	1	677.848	8.659	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000097967406	553918061	/nfs/dbraw/zinc/91/80/61/553918061.db2.gz	VOPICFILUMBCOV-XIFFEERXSA-N	0	1	672.759	8.257	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000097967435	553918585	/nfs/dbraw/zinc/91/85/85/553918585.db2.gz	MZRQUZTYOOVBHV-DLUDVSRJSA-N	0	1	637.508	6.278	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1	ZINC000097967463	553918824	/nfs/dbraw/zinc/91/88/24/553918824.db2.gz	DFOVUANHJZWTTG-SSEXGKCCSA-N	0	1	582.623	9.509	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000097967484	553918912	/nfs/dbraw/zinc/91/89/12/553918912.db2.gz	JPOXTEIXQAKOMZ-DFXYEROKSA-N	0	1	556.659	6.151	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000097967505	553919292	/nfs/dbraw/zinc/91/92/92/553919292.db2.gz	NBCMWMRHEFYBPT-GRMGDBHTSA-N	0	1	707.874	8.668	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O	ZINC000097967529	553919665	/nfs/dbraw/zinc/91/96/65/553919665.db2.gz	ZPMIYTGVFDGHRW-DAOPMYJZSA-N	0	1	627.900	6.533	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097967631	553920962	/nfs/dbraw/zinc/92/09/62/553920962.db2.gz	GZUVFJHDXVOIRK-RCRUUEGKSA-N	0	1	641.815	7.814	50	30		KKEAMN
Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000033332294	553921150	/nfs/dbraw/zinc/92/11/50/553921150.db2.gz	XQSRTGXRBMVFND-BKUYFWCQSA-N	0	1	500.649	5.886	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097967630	553921162	/nfs/dbraw/zinc/92/11/62/553921162.db2.gz	GZUVFJHDXVOIRK-YKGWIAGDSA-N	0	1	641.815	7.814	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000097967703	553921882	/nfs/dbraw/zinc/92/18/82/553921882.db2.gz	AUDIOSAGIXFCJF-BGOLNKOXSA-N	0	1	706.286	8.558	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1	ZINC000097967717	553922242	/nfs/dbraw/zinc/92/22/42/553922242.db2.gz	IVAWWMRPLKQKHB-CRYYWNKWSA-N	0	1	569.639	5.540	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C	ZINC000097967835	553923933	/nfs/dbraw/zinc/92/39/33/553923933.db2.gz	IWDPMZWJTHNKIO-SSEXGKCCSA-N	0	1	742.703	8.515	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000097967884	553924449	/nfs/dbraw/zinc/92/44/49/553924449.db2.gz	BDZGZRFQZVAHME-MYYSRTQBSA-N	0	1	594.089	6.729	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000097968002	553926120	/nfs/dbraw/zinc/92/61/20/553926120.db2.gz	HIGVSZHLKTWPSO-BSEYFRJRSA-N	0	1	628.534	7.383	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097968076	553927376	/nfs/dbraw/zinc/92/73/76/553927376.db2.gz	SITBMWRFEJMDPY-RUZDIDTESA-N	0	1	587.679	5.783	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097968103	553927516	/nfs/dbraw/zinc/92/75/16/553927516.db2.gz	WAJXKSFJEWWWOT-MUUNZHRXSA-N	0	1	664.205	7.463	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC	ZINC000097968074	553927560	/nfs/dbraw/zinc/92/75/60/553927560.db2.gz	SFGQTMNXTYLUAO-AREMUKBSSA-N	0	1	592.670	5.786	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097968118	553927976	/nfs/dbraw/zinc/92/79/76/553927976.db2.gz	MYOHFPASENMQJH-MHZLTWQESA-N	0	1	650.178	7.217	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097968117	553928007	/nfs/dbraw/zinc/92/80/07/553928007.db2.gz	MYOHFPASENMQJH-HHHXNRCGSA-N	0	1	650.178	7.217	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000097968142	553928311	/nfs/dbraw/zinc/92/83/11/553928311.db2.gz	QXALVKORBUJUGA-MUUNZHRXSA-N	0	1	623.712	6.546	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000097968177	553928840	/nfs/dbraw/zinc/92/88/40/553928840.db2.gz	PALBKIODDRLUFE-LJAQVGFWSA-N	0	1	677.776	7.101	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000097968234	553929634	/nfs/dbraw/zinc/92/96/34/553929634.db2.gz	HXTMSVDTAFEYJU-XMMPIXPASA-N	0	1	636.107	5.825	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000097968271	553930129	/nfs/dbraw/zinc/93/01/29/553930129.db2.gz	LUJQUHUGPPPRSK-SSEXGKCCSA-N	0	1	691.803	7.491	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000097968324	553930705	/nfs/dbraw/zinc/93/07/05/553930705.db2.gz	STUACRWXCGLULW-GDJIYFAZSA-N	0	1	634.751	6.702	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000033354678	553930788	/nfs/dbraw/zinc/93/07/88/553930788.db2.gz	QHALWPNBLRJJLP-CYFIQEHSSA-N	0	1	632.713	7.022	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000097968350	553930832	/nfs/dbraw/zinc/93/08/32/553930832.db2.gz	PODIDMXCKUYDRJ-DEOSSOPVSA-N	0	1	619.652	5.310	50	30		KKEAMN
O=C(N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl)C(F)(F)F	ZINC000033354709	553930966	/nfs/dbraw/zinc/93/09/66/553930966.db2.gz	IDXCCYAGSIZIIS-CPJLOUKISA-N	0	1	531.361	7.456	50	30		KKEAMN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000097968355	553931159	/nfs/dbraw/zinc/93/11/59/553931159.db2.gz	CXBQUBBSCRVODO-AREMUKBSSA-N	0	1	620.152	7.161	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)c(Br)c2)cc1	ZINC000033354871	553931969	/nfs/dbraw/zinc/93/19/69/553931969.db2.gz	OFPSPPPCWWWDFA-QFIPXVFZSA-N	0	1	540.797	5.980	50	30		KKEAMN
O=[N+]([O-])c1cc2c(cc1C=Nc1ccc(-c3nc4ccc(N=Cc5cc6c(cc5[N+](=O)[O-])OCO6)cc4[nH]3)cc1)OCO2	ZINC000033355028	553932883	/nfs/dbraw/zinc/93/28/83/553932883.db2.gz	WRNCNDKXCQOGJE-SLLOIGAGSA-N	0	1	578.497	6.005	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4cc(OC)c(OC)c(OC)c4)C3)[C@H]2c2cccc(F)c2)cc(OC)c1OC	ZINC000033355185	553933422	/nfs/dbraw/zinc/93/34/22/553933422.db2.gz	SHBHLLGDUVTMBM-VXJJZJMSSA-N	0	1	668.718	7.092	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4cc(OC)c(OC)c(OC)c4)C3)[C@@H]2c2cccc(F)c2)cc(OC)c1OC	ZINC000033355187	553933425	/nfs/dbraw/zinc/93/34/25/553933425.db2.gz	SHBHLLGDUVTMBM-JBUCUFAESA-N	0	1	668.718	7.092	50	30		KKEAMN
Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000097968786	553934336	/nfs/dbraw/zinc/93/43/36/553934336.db2.gz	ULWYYPBIFOCBNK-PMERELPUSA-N	0	1	540.660	5.183	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000033355648	553935809	/nfs/dbraw/zinc/93/58/09/553935809.db2.gz	GMCUHKJVWDYORJ-WXTAPIANSA-N	0	1	546.601	5.476	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000097969038	553935893	/nfs/dbraw/zinc/93/58/93/553935893.db2.gz	JLYLVICPDVDMBV-UVDDSOTQSA-N	0	1	555.671	6.265	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000097969236	553938348	/nfs/dbraw/zinc/93/83/48/553938348.db2.gz	DQYIJPVUNOQTFJ-PUAOIOHZSA-N	0	1	634.135	6.377	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)s2)cc1	ZINC000097969302	553939171	/nfs/dbraw/zinc/93/91/71/553939171.db2.gz	ZBWYUCRNHVOJPS-NSYGIPOTSA-N	0	1	573.671	6.384	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000097969333	553939659	/nfs/dbraw/zinc/93/96/59/553939659.db2.gz	DURRCBRGTBIONN-LFPIHBKWSA-N	0	1	577.456	6.174	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1	ZINC000097969460	553941248	/nfs/dbraw/zinc/94/12/48/553941248.db2.gz	UMGFEBURZZANBJ-SSEXGKCCSA-N	0	1	617.068	10.162	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000097969497	553941566	/nfs/dbraw/zinc/94/15/66/553941566.db2.gz	WDSBAXTZOSRDIM-AREMUKBSSA-N	0	1	637.541	7.605	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000097969529	553941912	/nfs/dbraw/zinc/94/19/12/553941912.db2.gz	FOQOCPKLYJPGJE-UGDMGKLASA-N	0	1	555.671	6.612	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000097969578	553942621	/nfs/dbraw/zinc/94/26/21/553942621.db2.gz	VSJXUWWXBUDXBC-UPCLLVRISA-N	0	1	559.644	6.076	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000097969650	553943332	/nfs/dbraw/zinc/94/33/32/553943332.db2.gz	VLCALTNROZAOOJ-LMKMVOKYSA-N	0	1	606.125	6.599	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097969783	553944882	/nfs/dbraw/zinc/94/48/82/553944882.db2.gz	MURYTZLSDOZNHE-FLASPHMUSA-N	0	1	677.848	8.515	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000097969812	553945562	/nfs/dbraw/zinc/94/55/62/553945562.db2.gz	JONNWPWVOCBTFL-BZQUYTCOSA-N	0	1	591.483	6.564	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000097969868	553945986	/nfs/dbraw/zinc/94/59/86/553945986.db2.gz	AAQJLPQMKWAFSB-HSZRJFAPSA-N	0	1	565.445	6.167	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000097969874	553946588	/nfs/dbraw/zinc/94/65/88/553946588.db2.gz	KXDXKEJYRGLENW-MRDQGFSESA-N	0	1	606.697	5.922	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097969911	553946887	/nfs/dbraw/zinc/94/68/87/553946887.db2.gz	FGZQKCDTOTUZRF-ROTAYESASA-N	0	1	665.768	7.655	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1	ZINC000097969948	553947244	/nfs/dbraw/zinc/94/72/44/553947244.db2.gz	JAGFUGMDQSLALB-JGCGQSQUSA-N	0	1	650.709	6.837	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097969943	553947312	/nfs/dbraw/zinc/94/73/12/553947312.db2.gz	GJLYXBKYSWQUFO-XHCCPWGMSA-N	0	1	599.734	6.726	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097970010	553948109	/nfs/dbraw/zinc/94/81/09/553948109.db2.gz	XCXVNGFHBWUOPR-JRPXNJEYSA-N	0	1	655.798	7.209	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000097970032	553948699	/nfs/dbraw/zinc/94/86/99/553948699.db2.gz	CQFNRBHTFXLVBR-XBBWARJSSA-N	0	1	621.740	7.099	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C	ZINC000097970068	553948944	/nfs/dbraw/zinc/94/89/44/553948944.db2.gz	AUIKROCVVBFSSI-SANMLTNESA-N	0	1	604.681	5.773	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000097970133	553949922	/nfs/dbraw/zinc/94/99/22/553949922.db2.gz	HPSYUKJYSZXWJD-QHCPKHFHSA-N	0	1	625.453	5.336	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C	ZINC000097970178	553950373	/nfs/dbraw/zinc/95/03/73/553950373.db2.gz	KVDBZCQTBICYFG-RUZDIDTESA-N	0	1	592.670	5.607	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C	ZINC000097970161	553950406	/nfs/dbraw/zinc/95/04/06/553950406.db2.gz	VKGAEKLAXDFNPT-BGOLNKOXSA-N	0	1	689.831	7.899	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097970164	553950459	/nfs/dbraw/zinc/95/04/59/553950459.db2.gz	YISZKSHSNAKION-ADXZGYQBSA-N	0	1	661.777	7.263	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097970226	553951165	/nfs/dbraw/zinc/95/11/65/553951165.db2.gz	KUJPFCDOETZZLO-PBBNMVCDSA-N	0	1	627.788	7.362	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097970300	553952068	/nfs/dbraw/zinc/95/20/68/553952068.db2.gz	SLPZXFOCVZWNEF-WRONEBCDSA-N	0	1	645.778	7.501	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C	ZINC000097970420	553953775	/nfs/dbraw/zinc/95/37/75/553953775.db2.gz	XUDSBENVHAIAHX-MCMMXHMISA-N	0	1	641.496	5.377	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000097970431	553954104	/nfs/dbraw/zinc/95/41/04/553954104.db2.gz	HWJRXJRFVWQPMP-YEBMWUKDSA-N	0	1	567.450	6.718	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000097970441	553954151	/nfs/dbraw/zinc/95/41/51/553954151.db2.gz	IOAKEVYSVCTVOI-PEBXRYMYSA-N	0	1	551.020	5.554	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000097970465	553954630	/nfs/dbraw/zinc/95/46/30/553954630.db2.gz	BRPKTQXYDFBSKG-RCRUUEGKSA-N	0	1	573.690	5.843	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097970485	553954709	/nfs/dbraw/zinc/95/47/09/553954709.db2.gz	VVDLXOGUDOGWEI-JCOAXYOVSA-N	0	1	647.778	7.655	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097970540	553955406	/nfs/dbraw/zinc/95/54/06/553955406.db2.gz	NEXGSQATWVFRKW-WRONEBCDSA-N	0	1	643.787	7.043	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000097970633	553956713	/nfs/dbraw/zinc/95/67/13/553956713.db2.gz	VXGNNTJHKOGTDX-LDLUVENISA-N	0	1	619.139	7.634	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OC	ZINC000097970702	553957564	/nfs/dbraw/zinc/95/75/64/553957564.db2.gz	WZKVPONGTKWLDM-PBBNMVCDSA-N	0	1	559.663	5.453	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000097970943	553959538	/nfs/dbraw/zinc/95/95/38/553959538.db2.gz	VBBYEDRFOMDYGO-URAOTHONSA-N	0	1	556.659	6.151	50	30		KKEAMN
C(#Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4nc(-c5ccc(C#Cc6ccccc6)cc5)[nH]c4-c4ccccc4)cc3)[nH]2)cc1)c1ccccc1	ZINC000097976898	553973077	/nfs/dbraw/zinc/97/30/77/553973077.db2.gz	VAOJELRJODEQFU-UHFFFAOYSA-N	0	1	714.872	11.934	50	30		KKEAMN
C(#Cc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(C#Cc6ccccc6)cc5)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1)c1ccccc1	ZINC000097976898	553973078	/nfs/dbraw/zinc/97/30/78/553973078.db2.gz	VAOJELRJODEQFU-UHFFFAOYSA-N	0	1	714.872	11.934	50	30		KKEAMN
CC(C)(C)c1ccc2oc(-c3ccc(/N=C/c4cc(I)cc(I)c4O)cc3)nc2c1	ZINC000097997049	554039568	/nfs/dbraw/zinc/03/95/68/554039568.db2.gz	UQCVJYFLIUYZSZ-UVHMKAGCSA-N	0	1	622.244	7.458	50	30		KKEAMN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]3c2cccc(Br)c2)cc1	ZINC000097999725	554045283	/nfs/dbraw/zinc/04/52/83/554045283.db2.gz	VFAOANYDHBAZJF-UDNBHOFDSA-N	0	1	632.385	9.279	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1	ZINC000097999800	554045942	/nfs/dbraw/zinc/04/59/42/554045942.db2.gz	CEZRSJBMXRYZSG-XKWLHOGNSA-N	0	1	677.119	8.789	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1	ZINC000097999803	554045970	/nfs/dbraw/zinc/04/59/70/554045970.db2.gz	CEZRSJBMXRYZSG-LHAPQZOASA-N	0	1	677.119	8.789	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1	ZINC000098003658	554055742	/nfs/dbraw/zinc/05/57/42/554055742.db2.gz	GJXYXYIKCCJUQX-YUYWZBKDSA-N	0	1	681.538	9.434	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	ZINC000098003657	554055814	/nfs/dbraw/zinc/05/58/14/554055814.db2.gz	BMXZJXFLGGNFJG-FRRBMJAGSA-N	0	1	689.639	10.186	50	30		KKEAMN
CCN(CC)c1ccc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2CC(=O)NC2CCCCC2)cc1	ZINC000098042814	554122631	/nfs/dbraw/zinc/12/26/31/554122631.db2.gz	BFBSUMKWSYRBDG-FEERPNRMSA-N	0	1	566.746	6.949	50	30		KKEAMN
CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2CC(=O)NC2CCCCC2)cc1	ZINC000098042811	554122645	/nfs/dbraw/zinc/12/26/45/554122645.db2.gz	BFBSUMKWSYRBDG-YQPGIBNTSA-N	0	1	566.746	6.949	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1F)c1ccc(Br)cc1	ZINC000098045379	554131323	/nfs/dbraw/zinc/13/13/23/554131323.db2.gz	BFQWJVIEEVHIMC-HXUWFJFHSA-N	0	1	531.175	6.134	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000098045523	554132216	/nfs/dbraw/zinc/13/22/16/554132216.db2.gz	CPFRJNPYFNWWPH-JPZYQRIQSA-N	0	1	550.596	8.325	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(Br)cc3)cc2)c1	ZINC000098045749	554133474	/nfs/dbraw/zinc/13/34/74/554133474.db2.gz	HPXMIFLMXDATSC-NDEPHWFRSA-N	0	1	569.455	6.510	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000098045757	554133845	/nfs/dbraw/zinc/13/38/45/554133845.db2.gz	RRGLLGLETJXUMJ-RUZDIDTESA-N	0	1	633.520	6.671	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCC)cc3C)[C@@H]2c2ccccc2F)nc1C	ZINC000098046327	554138005	/nfs/dbraw/zinc/13/80/05/554138005.db2.gz	WKRRQPASHAIKMB-QHCPKHFHSA-N	0	1	550.608	5.814	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2cc(Br)ccc2OC)cc1	ZINC000098046371	554138376	/nfs/dbraw/zinc/13/83/76/554138376.db2.gz	WSUMDVRJUVQGFM-FQEVSTJZSA-N	0	1	557.422	5.217	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000098046440	554138907	/nfs/dbraw/zinc/13/89/07/554138907.db2.gz	VRLKEJUDBJXTGW-RUZDIDTESA-N	0	1	592.142	7.446	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000098046449	554138969	/nfs/dbraw/zinc/13/89/69/554138969.db2.gz	RWADBTBLJYDAJW-MHZLTWQESA-N	0	1	617.749	6.809	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000098046451	554138978	/nfs/dbraw/zinc/13/89/78/554138978.db2.gz	YPGXVEDZKGBQSS-MHZLTWQESA-N	0	1	652.194	7.463	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000098046475	554139401	/nfs/dbraw/zinc/13/94/01/554139401.db2.gz	AZBSIPDIWKMWHD-MHZLTWQESA-N	0	1	665.765	6.957	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(F)c2)cc1	ZINC000098046464	554139465	/nfs/dbraw/zinc/13/94/65/554139465.db2.gz	UDWFTYBFHIJQSP-RUZDIDTESA-N	0	1	610.132	7.585	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccccc2F)cc1	ZINC000098046467	554139501	/nfs/dbraw/zinc/13/95/01/554139501.db2.gz	IZBHNXDZMVVQEM-VWLOTQADSA-N	0	1	610.132	7.585	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000098046509	554139744	/nfs/dbraw/zinc/13/97/44/554139744.db2.gz	ANMMKYXBHXLOOS-VWLOTQADSA-N	0	1	626.131	7.203	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000098046494	554139978	/nfs/dbraw/zinc/13/99/78/554139978.db2.gz	KOLUCLXLEYYJQL-MUUNZHRXSA-N	0	1	625.703	7.553	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098046519	554140296	/nfs/dbraw/zinc/14/02/96/554140296.db2.gz	WYUSOUTZSYHQBY-MHZLTWQESA-N	0	1	641.702	6.701	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C	ZINC000098046584	554141250	/nfs/dbraw/zinc/14/12/50/554141250.db2.gz	GEQQOGRSQWIKER-NDEPHWFRSA-N	0	1	544.604	5.065	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OC	ZINC000098046577	554141264	/nfs/dbraw/zinc/14/12/64/554141264.db2.gz	ZRZCCCZISWHQBN-ACSYHNTCSA-N	0	1	542.632	5.761	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2	ZINC000098046582	554141268	/nfs/dbraw/zinc/14/12/68/554141268.db2.gz	BMVHCKBMTSUURO-LJAQVGFWSA-N	0	1	534.568	5.210	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(Br)c3)cc2)c1	ZINC000098046676	554142322	/nfs/dbraw/zinc/14/23/22/554142322.db2.gz	HMIJEMRUCHMAQH-NDEPHWFRSA-N	0	1	586.486	6.202	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)cc2)c1	ZINC000098046705	554142816	/nfs/dbraw/zinc/14/28/16/554142816.db2.gz	MTFSPIAPDIOPOB-PGUFJCEWSA-N	0	1	596.683	7.327	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccncc2)cc1	ZINC000098046846	554144118	/nfs/dbraw/zinc/14/41/18/554144118.db2.gz	RLOJSPMVQAEEHP-OAQYLSRUSA-N	0	1	551.049	5.670	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O	ZINC000098047233	554147980	/nfs/dbraw/zinc/14/79/80/554147980.db2.gz	VUYVAEYFDBSXIL-MUUNZHRXSA-N	0	1	627.719	7.318	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000098047317	554149144	/nfs/dbraw/zinc/14/91/44/554149144.db2.gz	WKXVGKJEOIKHNI-MUUNZHRXSA-N	0	1	660.148	8.207	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000098047334	554149610	/nfs/dbraw/zinc/14/96/10/554149610.db2.gz	LPPNHSXCTDHGLS-HHHXNRCGSA-N	0	1	619.740	7.330	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000098047360	554150058	/nfs/dbraw/zinc/15/00/58/554150058.db2.gz	NANVQFOWFRIHGS-RUZDIDTESA-N	0	1	626.587	8.099	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000098047400	554150555	/nfs/dbraw/zinc/15/05/55/554150555.db2.gz	JYFMNUMBSMNCDX-SSEXGKCCSA-N	0	1	678.276	9.015	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000098047470	554151432	/nfs/dbraw/zinc/15/14/32/554151432.db2.gz	UKKFSEMTVDOQRE-JGCGQSQUSA-N	0	1	663.821	8.371	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000098047458	554151503	/nfs/dbraw/zinc/15/15/03/554151503.db2.gz	GKQDXKKZQAVGFU-MUUNZHRXSA-N	0	1	627.694	7.992	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000098047493	554151730	/nfs/dbraw/zinc/15/17/30/554151730.db2.gz	VKQWAFYUEOPINN-MUUNZHRXSA-N	0	1	649.766	7.339	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1	ZINC000098047515	554152229	/nfs/dbraw/zinc/15/22/29/554152229.db2.gz	HDLGPGIEEOEBRT-JGCGQSQUSA-N	0	1	687.884	8.678	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000098047510	554152246	/nfs/dbraw/zinc/15/22/46/554152246.db2.gz	XRZGQHXLAUBECL-SANMLTNESA-N	0	1	650.178	7.232	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000098047559	554152665	/nfs/dbraw/zinc/15/26/65/554152665.db2.gz	JAWOLFPVCYJWOW-MGBGTMOVSA-N	0	1	701.911	9.068	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000098047552	554152734	/nfs/dbraw/zinc/15/27/34/554152734.db2.gz	MZTQKQQZAQQZRY-DEOSSOPVSA-N	0	1	593.658	6.134	50	30		KKEAMN
CCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OC	ZINC000098047591	554152915	/nfs/dbraw/zinc/15/29/15/554152915.db2.gz	LGTOVGOCXKAFIY-WJOKGBTCSA-N	0	1	678.848	8.194	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000098047583	554152980	/nfs/dbraw/zinc/15/29/80/554152980.db2.gz	QACPYMUDLLVQHL-JGCGQSQUSA-N	0	1	722.329	9.413	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000098047625	554153463	/nfs/dbraw/zinc/15/34/63/554153463.db2.gz	OASKTQSFNBINBR-HHHXNRCGSA-N	0	1	635.739	6.949	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000098047631	554154005	/nfs/dbraw/zinc/15/40/05/554154005.db2.gz	VMUWOROQKPFMRS-RUZDIDTESA-N	0	1	620.684	6.840	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000098047680	554154432	/nfs/dbraw/zinc/15/44/32/554154432.db2.gz	YFZFTJKTDWPEPZ-YTTGMZPUSA-N	0	1	687.884	8.760	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000098047682	554154448	/nfs/dbraw/zinc/15/44/48/554154448.db2.gz	OXABTBKSVYBTEB-VWLOTQADSA-N	0	1	626.587	8.099	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000098047725	554154931	/nfs/dbraw/zinc/15/49/31/554154931.db2.gz	PMFARINWCWNTSP-HHHXNRCGSA-N	0	1	613.692	6.923	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1Cl	ZINC000098047699	554155007	/nfs/dbraw/zinc/15/50/07/554155007.db2.gz	KSOHJBXGUONWTN-GDLZYMKVSA-N	0	1	572.061	6.183	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(Cl)cc2)cc1OC	ZINC000098047778	554155881	/nfs/dbraw/zinc/15/58/81/554155881.db2.gz	HNYMYQXKHCROLR-MHZLTWQESA-N	0	1	630.147	7.437	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000098047895	554157389	/nfs/dbraw/zinc/15/73/89/554157389.db2.gz	UOSKJOPCINLQMN-HHHXNRCGSA-N	0	1	625.659	6.373	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccnc2)cc1F	ZINC000098047919	554157689	/nfs/dbraw/zinc/15/76/89/554157689.db2.gz	BMWNNZGJURYUGW-RUZDIDTESA-N	0	1	568.655	6.609	50	30		KKEAMN
CCCCCCCCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000098049869	554169748	/nfs/dbraw/zinc/16/97/48/554169748.db2.gz	JBXPMLAMRLXQDA-WDYNHAJCSA-N	0	1	510.634	6.487	50	30		KKEAMN
CCCCCCCCOc1ccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000098049870	554169812	/nfs/dbraw/zinc/16/98/12/554169812.db2.gz	JBXPMLAMRLXQDA-VMPREFPWSA-N	0	1	510.634	6.487	50	30		KKEAMN
CCc1ccc(-c2nc3ccc(/N=C/c4cc(Br)cc(Br)c4O)cc3o2)cc1	ZINC000098086885	554176582	/nfs/dbraw/zinc/17/65/82/554176582.db2.gz	SMTOXPXMFJMHCD-BRJLIKDPSA-N	0	1	500.190	7.038	50	30		KKEAMN
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnc2ccc(OC)cc21	ZINC000100038118	554191528	/nfs/dbraw/zinc/19/15/28/554191528.db2.gz	IQMKPBFOEWWDIQ-ZRJNXXGPSA-N	0	1	594.625	7.205	50	30		KKEAMN
COc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000100052666	554195156	/nfs/dbraw/zinc/19/51/56/554195156.db2.gz	BKVJIUUTHQKBGC-WENCNXQZSA-N	0	1	540.019	7.548	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)C=Cc2ccccc2)cc1	ZINC000100109990	554221120	/nfs/dbraw/zinc/22/11/20/554221120.db2.gz	DAYVAWMIUVUNQJ-PMVHZQMXSA-N	0	1	610.754	8.385	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000049918093	554327343	/nfs/dbraw/zinc/32/73/43/554327343.db2.gz	GGQPJZBVFPWEKT-UTONBFNKSA-N	0	1	558.634	6.696	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000053253945	554330359	/nfs/dbraw/zinc/33/03/59/554330359.db2.gz	WJGKQJPFFPNBJA-JOCHJYFZSA-N	0	1	578.599	5.183	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Br)cc1	ZINC000053290188	554331104	/nfs/dbraw/zinc/33/11/04/554331104.db2.gz	CRAOHLXZXNEYDI-RUZDIDTESA-N	0	1	535.438	5.966	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000053291520	554331991	/nfs/dbraw/zinc/33/19/91/554331991.db2.gz	JAVADCPRQIVSAK-QFIPXVFZSA-N	0	1	552.630	5.565	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)c(C)c1	ZINC000053305753	554332874	/nfs/dbraw/zinc/33/28/74/554332874.db2.gz	NQUMKFQXNOAHLY-VWLOTQADSA-N	0	1	535.438	6.110	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000053306040	554333137	/nfs/dbraw/zinc/33/31/37/554333137.db2.gz	WMCIQIAIJPBRHJ-HXUWFJFHSA-N	0	1	561.443	6.035	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)ccc1OCC(C)C	ZINC000053306163	554333592	/nfs/dbraw/zinc/33/35/92/554333592.db2.gz	AQRAANBVSVMMGL-VWLOTQADSA-N	0	1	535.438	5.966	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000053306124	554333649	/nfs/dbraw/zinc/33/36/49/554333649.db2.gz	JOQZPHZXOWDGNA-JOCHJYFZSA-N	0	1	535.965	6.040	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)ccc1OCC(C)C	ZINC000053306162	554333670	/nfs/dbraw/zinc/33/36/70/554333670.db2.gz	AQRAANBVSVMMGL-RUZDIDTESA-N	0	1	535.438	5.966	50	30		KKEAMN
CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000053307871	554335411	/nfs/dbraw/zinc/33/54/11/554335411.db2.gz	KCCBHIWAMRUWIT-JOCHJYFZSA-N	0	1	525.786	5.844	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000053319165	554336157	/nfs/dbraw/zinc/33/61/57/554336157.db2.gz	WCIAQGJKICSORI-NRFANRHFSA-N	0	1	539.382	5.989	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)nc2c(C)c1	ZINC000053319156	554336338	/nfs/dbraw/zinc/33/63/38/554336338.db2.gz	PZKZYYUYCQBUJR-JOCHJYFZSA-N	0	1	553.865	7.112	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000053319170	554336380	/nfs/dbraw/zinc/33/63/80/554336380.db2.gz	JEEJRBWSDIVTKI-OAQYLSRUSA-N	0	1	521.938	5.649	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000053319173	554336544	/nfs/dbraw/zinc/33/65/44/554336544.db2.gz	YZZUGFSKWBIGIZ-AREMUKBSSA-N	0	1	539.459	6.021	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000053319173	554336547	/nfs/dbraw/zinc/33/65/47/554336547.db2.gz	YZZUGFSKWBIGIZ-AREMUKBSSA-N	0	1	539.459	6.021	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000053319191	554336635	/nfs/dbraw/zinc/33/66/35/554336635.db2.gz	ORZVNHLWWSGQBV-HSZRJFAPSA-N	0	1	567.019	5.767	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000053319253	554336807	/nfs/dbraw/zinc/33/68/07/554336807.db2.gz	AITHIMCXEJSIMN-XMMPIXPASA-N	0	1	551.020	6.149	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000053319225	554336838	/nfs/dbraw/zinc/33/68/38/554336838.db2.gz	QVQNVIBWAAIUFD-OAQYLSRUSA-N	0	1	523.383	6.289	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(Br)c1)c1ccc(F)cc1	ZINC000053319321	554337292	/nfs/dbraw/zinc/33/72/92/554337292.db2.gz	GDUCWYFSNMPEPK-FQEVSTJZSA-N	0	1	527.346	6.120	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000053319395	554337540	/nfs/dbraw/zinc/33/75/40/554337540.db2.gz	KMFWGWIOMMNFPI-NRFANRHFSA-N	0	1	529.376	6.534	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000053319395	554337544	/nfs/dbraw/zinc/33/75/44/554337544.db2.gz	KMFWGWIOMMNFPI-NRFANRHFSA-N	0	1	529.376	6.534	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4C)cc3)[C@@H]2c2cccc(Cl)c2)s1	ZINC000053319417	554337835	/nfs/dbraw/zinc/33/78/35/554337835.db2.gz	UCJDMNGQYMTCJU-DEOSSOPVSA-N	0	1	532.021	6.170	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000053319437	554337882	/nfs/dbraw/zinc/33/78/82/554337882.db2.gz	YLURVBPDUSIJMS-WNSROMTISA-N	0	1	565.714	8.373	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(Br)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000053319497	554338294	/nfs/dbraw/zinc/33/82/94/554338294.db2.gz	WYMGBXFWNASJBH-OAQYLSRUSA-N	0	1	584.289	6.913	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000053319450	554338406	/nfs/dbraw/zinc/33/84/06/554338406.db2.gz	OLAXROQSGULNRN-OAQYLSRUSA-N	0	1	573.454	6.201	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000053331869	554338567	/nfs/dbraw/zinc/33/85/67/554338567.db2.gz	PBCWJEKPUDEECZ-IBGZPJMESA-N	0	1	557.422	5.101	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCC)c(OC)c3)sc2c1	ZINC000053334028	554339674	/nfs/dbraw/zinc/33/96/74/554339674.db2.gz	HAAWHQBQZDKXIF-MHZLTWQESA-N	0	1	588.638	5.656	50	30		KKEAMN
O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1	ZINC000053334022	554339920	/nfs/dbraw/zinc/33/99/20/554339920.db2.gz	KOGLUBGNPXGHJU-BGOLNKOXSA-N	0	1	572.467	8.739	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2	ZINC000053335467	554341180	/nfs/dbraw/zinc/34/11/80/554341180.db2.gz	OKVZXFYPVNGTDX-JOCHJYFZSA-N	0	1	549.948	5.412	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Br)c2)nc1C	ZINC000053336920	554341644	/nfs/dbraw/zinc/34/16/44/554341644.db2.gz	HFRJFKWGJXPHIU-OAQYLSRUSA-N	0	1	583.460	5.657	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(Cl)cc2Cl)no1	ZINC000053337292	554342053	/nfs/dbraw/zinc/34/20/53/554342053.db2.gz	VJYIEZPXDWIQCA-FQEVSTJZSA-N	0	1	550.236	6.824	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1	ZINC000053337329	554342097	/nfs/dbraw/zinc/34/20/97/554342097.db2.gz	ZRAXQZDUBVCINB-MHZLTWQESA-N	0	1	591.085	6.929	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000053337778	554342421	/nfs/dbraw/zinc/34/24/21/554342421.db2.gz	RMGZZLLWMXSHGH-DEOSSOPVSA-N	0	1	583.449	6.556	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000053338752	554342674	/nfs/dbraw/zinc/34/26/74/554342674.db2.gz	MUKGMENDVJIWHM-OAQYLSRUSA-N	0	1	583.460	5.657	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000053338758	554342812	/nfs/dbraw/zinc/34/28/12/554342812.db2.gz	MUKGMENDVJIWHM-NRFANRHFSA-N	0	1	583.460	5.657	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1OC	ZINC000053359617	554344964	/nfs/dbraw/zinc/34/49/64/554344964.db2.gz	RZVXFMYOFMTGIN-XDCSYDRFSA-N	0	1	579.096	7.880	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000053359637	554345251	/nfs/dbraw/zinc/34/52/51/554345251.db2.gz	IBKWWBSFNCQSPU-BNHRFMORSA-N	0	1	540.635	7.093	50	30		KKEAMN
O=C1C=CC(=[NH+][N-]c2cccc3ccccc32)C=C1C=NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1	ZINC000100599447	554431319	/nfs/dbraw/zinc/43/13/19/554431319.db2.gz	OIXJEODMDQBTGJ-GGFWSZRHSA-N	0	1	535.656	6.572	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000100672104	554442026	/nfs/dbraw/zinc/44/20/26/554442026.db2.gz	NRAPPFJVURLICB-WJOKGBTCSA-N	0	1	570.686	5.877	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000100672106	554442031	/nfs/dbraw/zinc/44/20/31/554442031.db2.gz	NRAPPFJVURLICB-HKBQPEDESA-N	0	1	570.686	5.877	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccccc2)cc1	ZINC000100675283	554443309	/nfs/dbraw/zinc/44/33/09/554443309.db2.gz	JKRRAKCOZFODSC-XMMPIXPASA-N	0	1	548.661	6.226	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccc(F)c2)cc1	ZINC000100674856	554443378	/nfs/dbraw/zinc/44/33/78/554443378.db2.gz	GSWPFYGUFUCTIN-DEOSSOPVSA-N	0	1	566.651	6.365	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000100675299	554443601	/nfs/dbraw/zinc/44/36/01/554443601.db2.gz	CCDDFJHGEINEFS-SANMLTNESA-N	0	1	592.714	6.625	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCCC)cc2)cc1	ZINC000100677275	554444238	/nfs/dbraw/zinc/44/42/38/554444238.db2.gz	YYHOOJPYSFQXOZ-VWLOTQADSA-N	0	1	578.687	6.379	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC	ZINC000100677250	554444280	/nfs/dbraw/zinc/44/42/80/554444280.db2.gz	VZBJISYNXUODGK-XMMPIXPASA-N	0	1	582.650	6.046	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCC)c(OCC)c2)cc1	ZINC000100677311	554444746	/nfs/dbraw/zinc/44/47/46/554444746.db2.gz	NRJYWDYVPNQINZ-SANMLTNESA-N	0	1	608.713	6.387	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC	ZINC000100678918	554445379	/nfs/dbraw/zinc/44/53/79/554445379.db2.gz	DGOZZONNNNBVAX-JOCHJYFZSA-N	0	1	552.580	5.042	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1	ZINC000100679922	554445696	/nfs/dbraw/zinc/44/56/96/554445696.db2.gz	IORQQTLUINFXBR-AREMUKBSSA-N	0	1	592.714	6.769	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000100679916	554445702	/nfs/dbraw/zinc/44/57/02/554445702.db2.gz	XBGZXHBSSUTPJL-VWLOTQADSA-N	0	1	594.686	5.997	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCC=C)cc2)nc1C	ZINC000100680024	554446209	/nfs/dbraw/zinc/44/62/09/554446209.db2.gz	SSEGVPCWDHCFGX-SANMLTNESA-N	0	1	588.682	6.321	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000100680309	554446328	/nfs/dbraw/zinc/44/63/28/554446328.db2.gz	LJAXNBAQJPPBRF-HSZRJFAPSA-N	0	1	567.063	6.410	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000100680383	554446500	/nfs/dbraw/zinc/44/65/00/554446500.db2.gz	APGGWDQYHBHVIS-VWLOTQADSA-N	0	1	622.696	5.782	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCC=C)c(OC)c2)nc1C	ZINC000100680386	554446540	/nfs/dbraw/zinc/44/65/40/554446540.db2.gz	SXRQZGROTVDUCY-MHZLTWQESA-N	0	1	618.708	6.330	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000100680981	554446733	/nfs/dbraw/zinc/44/67/33/554446733.db2.gz	CPFBUAZHAKTDQY-QHCPKHFHSA-N	0	1	550.633	5.599	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000100680994	554446811	/nfs/dbraw/zinc/44/68/11/554446811.db2.gz	QKAMEWXTXKWXST-IBGZPJMESA-N	0	1	559.413	5.621	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OC)cc2)nc1C	ZINC000100680393	554446870	/nfs/dbraw/zinc/44/68/70/554446870.db2.gz	UCVDXBWRNDVTLI-XMMPIXPASA-N	0	1	562.644	5.765	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000100681107	554447191	/nfs/dbraw/zinc/44/71/91/554447191.db2.gz	UTYNMPUDOPFQRZ-MHZLTWQESA-N	0	1	598.677	6.992	50	30		KKEAMN
CCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC	ZINC000100681075	554447233	/nfs/dbraw/zinc/44/72/33/554447233.db2.gz	CNXJNVFZKQZUSS-MUUNZHRXSA-N	0	1	636.767	7.168	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000100681161	554447530	/nfs/dbraw/zinc/44/75/30/554447530.db2.gz	VSIKBRXJLASUMY-SSEXGKCCSA-N	0	1	534.612	6.831	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1/C=N/c1sc2c(c1-c1nc3ccccc3s1)CCCC2	ZINC000100813225	554475473	/nfs/dbraw/zinc/47/54/73/554475473.db2.gz	FCDPVNFUBJCFBE-OPEKNORGSA-N	0	1	548.325	7.885	50	30		KKEAMN
N#Cc1ccc(-c2cc(-c3ccc(Nc4ccnc5cc(C(F)(F)F)ccc54)cc3)[nH]c(=O)c2C#N)cc1	ZINC000066088677	554527928	/nfs/dbraw/zinc/52/79/28/554527928.db2.gz	KRFPHLQUMYAIJY-UHFFFAOYSA-N	0	1	507.475	6.763	50	30		KKEAMN
Cc1ccc(/N=C2\S/C(=C\c3cc(Br)cc(Br)c3O)C(=O)N2c2ccc(C)c(C)c2)cc1C	ZINC000101018670	554561347	/nfs/dbraw/zinc/56/13/47/554561347.db2.gz	XQEXANOLVJMGMQ-NOMMCYAHSA-N	0	1	586.349	7.959	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000101069837	554574297	/nfs/dbraw/zinc/57/42/97/554574297.db2.gz	UPPYWGYVLUBTMO-JBCNATCCSA-N	0	1	523.383	6.133	50	30		KKEAMN
CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000101069802	554574321	/nfs/dbraw/zinc/57/43/21/554574321.db2.gz	SJRVUQOZJUOZDX-MOBKVPTQSA-N	0	1	510.771	5.931	50	30		KKEAMN
CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000101069809	554574330	/nfs/dbraw/zinc/57/43/30/554574330.db2.gz	YJHVONARFVQHAW-HOGKFDNTSA-N	0	1	525.786	5.687	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1)c1ccc(Br)cc1	ZINC000101072619	554576222	/nfs/dbraw/zinc/57/62/22/554576222.db2.gz	CYDMLNFRBCLYPJ-NHFXJNLRSA-N	0	1	592.081	6.600	50	30		KKEAMN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(Br)cc2)no1	ZINC000101072962	554576560	/nfs/dbraw/zinc/57/65/60/554576560.db2.gz	UKCVADHUNBKUIP-NHFXJNLRSA-N	0	1	560.242	6.123	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Br)cc3s2)[C@H]1c1ccccc1F)c1ccccc1	ZINC000101095604	554584451	/nfs/dbraw/zinc/58/44/51/554584451.db2.gz	DEBLTMZBYLFYNN-NHFXJNLRSA-N	0	1	509.356	5.824	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C	ZINC000101277297	554703501	/nfs/dbraw/zinc/70/35/01/554703501.db2.gz	OUDMSEHDFGOIQX-TXTDGAROSA-N	0	1	626.687	6.022	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000101277893	554704249	/nfs/dbraw/zinc/70/42/49/554704249.db2.gz	DJZJPEFDAIQGNM-JBCNATCCSA-N	0	1	539.009	5.391	50	30		KKEAMN
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnc2ccc(OC)cc21	ZINC000101277979	554704533	/nfs/dbraw/zinc/70/45/33/554704533.db2.gz	IQMKPBFOEWWDIQ-FRSFCCSCSA-N	0	1	594.625	7.205	50	30		KKEAMN
COc1cc(OC)c([C@H]2c3c(n[nH]c3-c3ccc(Br)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000101293946	554710386	/nfs/dbraw/zinc/71/03/86/554710386.db2.gz	ODLWXGGPACJERK-JOCHJYFZSA-N	0	1	538.442	6.066	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000101310217	554717025	/nfs/dbraw/zinc/71/70/25/554717025.db2.gz	YRAXBYHMDIMMDU-JVJOXMINSA-N	0	1	515.562	5.188	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000101316818	554723853	/nfs/dbraw/zinc/72/38/53/554723853.db2.gz	LREGSNNFTZKAQQ-ONQGDUAMSA-N	0	1	613.717	6.101	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000101338297	554735070	/nfs/dbraw/zinc/73/50/70/554735070.db2.gz	XIUZOTVCNRUJEB-MUUNZHRXSA-N	0	1	609.704	7.853	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F	ZINC000101344376	554736765	/nfs/dbraw/zinc/73/67/65/554736765.db2.gz	YGYWGDHMQINBPQ-SANMLTNESA-N	0	1	612.664	7.122	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000102076654	554874876	/nfs/dbraw/zinc/87/48/76/554874876.db2.gz	AAULGPJBJLMINA-XKHRQMKWSA-N	0	1	529.637	5.143	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102078887	554875539	/nfs/dbraw/zinc/87/55/39/554875539.db2.gz	IQDFFUDBVHJKCP-ZHJYXLETSA-N	0	1	627.788	7.205	50	30		KKEAMN
O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)C1=C(O)C(=Cc2ccco2)CCC1	ZINC000102159599	554890150	/nfs/dbraw/zinc/89/01/50/554890150.db2.gz	LNWFOZSQLNZJSJ-HCDXYDHASA-N	0	1	524.400	5.733	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C	ZINC000102175165	554891652	/nfs/dbraw/zinc/89/16/52/554891652.db2.gz	FDDYDUZWVLVULY-ZHHPLPSFSA-N	0	1	505.442	5.320	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102483871	554937568	/nfs/dbraw/zinc/93/75/68/554937568.db2.gz	TZGDNQCBXKYFOK-ZHHPLPSFSA-N	0	1	531.546	5.238	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102494423	554940059	/nfs/dbraw/zinc/94/00/59/554940059.db2.gz	JLNDGDZSZCFNMI-MOBKVPTQSA-N	0	1	553.409	6.223	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1	ZINC000102499529	554941916	/nfs/dbraw/zinc/94/19/16/554941916.db2.gz	YFCPPBHEUULKFM-QMMFTLRZSA-N	0	1	600.613	9.491	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000102502551	554943776	/nfs/dbraw/zinc/94/37/76/554943776.db2.gz	PQIDZPZJRUINRS-MOBKVPTQSA-N	0	1	555.052	6.004	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102506287	554944547	/nfs/dbraw/zinc/94/45/47/554944547.db2.gz	SVUVZNLURIASHK-MRJHHRETSA-N	0	1	555.837	6.347	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000102509649	554946048	/nfs/dbraw/zinc/94/60/48/554946048.db2.gz	BSUDCSNARKTNDZ-FCLPXNLHSA-N	0	1	525.645	6.243	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2ccco2)cc(OC)c1OC	ZINC000102511053	554946285	/nfs/dbraw/zinc/94/62/85/554946285.db2.gz	WESKHICAZPESDH-MIOXIQPJSA-N	0	1	569.610	5.815	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102511074	554946316	/nfs/dbraw/zinc/94/63/16/554946316.db2.gz	SIWCFDGZEIPOHC-ZHHPLPSFSA-N	0	1	504.539	5.469	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3OC)sc2c1	ZINC000102512476	554946708	/nfs/dbraw/zinc/94/67/08/554946708.db2.gz	YMZPRRQSUGVFFL-ZHHPLPSFSA-N	0	1	520.994	5.983	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000102513483	554947035	/nfs/dbraw/zinc/94/70/35/554947035.db2.gz	JUGUHHYKGFZWMS-YDJIHCHBSA-N	0	1	526.998	5.225	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102514864	554947553	/nfs/dbraw/zinc/94/75/53/554947553.db2.gz	BAXWSKAJUAIAGB-JBCNATCCSA-N	0	1	521.938	5.493	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	ZINC000102520578	554949703	/nfs/dbraw/zinc/94/97/03/554949703.db2.gz	NYTKUPGSCQKRFZ-MIOXIQPJSA-N	0	1	595.523	6.025	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000102521826	554949865	/nfs/dbraw/zinc/94/98/65/554949865.db2.gz	UGEXIGFWZBLFFB-DZTJFIFISA-N	0	1	513.590	5.082	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102525775	554951841	/nfs/dbraw/zinc/95/18/41/554951841.db2.gz	LTKAENCPUTVORT-WOOAAIBNSA-N	0	1	501.416	6.599	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102526054	554951859	/nfs/dbraw/zinc/95/18/59/554951859.db2.gz	OQFPNLUCEJIRBD-QZDFLZESSA-N	0	1	555.671	6.600	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)ccc1OCc1ccccc1	ZINC000102531941	554954119	/nfs/dbraw/zinc/95/41/19/554954119.db2.gz	VDXJYORLDFEECC-GSYBUTJLSA-N	0	1	557.643	5.446	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Br)c2)cc1Cl	ZINC000102532464	554954424	/nfs/dbraw/zinc/95/44/24/554954424.db2.gz	ZMJWDWWDHBXDTB-MOBKVPTQSA-N	0	1	544.833	5.210	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102543411	554958151	/nfs/dbraw/zinc/95/81/51/554958151.db2.gz	YLISPRCIUZJYFG-AYWGPLOBSA-N	0	1	506.530	5.990	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000102544949	554958753	/nfs/dbraw/zinc/95/87/53/554958753.db2.gz	SKTQMKMYCHQCCF-KFLIVHAJSA-N	0	1	577.633	5.710	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000102544721	554958814	/nfs/dbraw/zinc/95/88/14/554958814.db2.gz	QMTRYSCYTFUDTA-VEZPTTSMSA-N	0	1	557.643	5.903	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCOC)cc1OC	ZINC000102547845	554960161	/nfs/dbraw/zinc/96/01/61/554960161.db2.gz	KNOFZCJCJWTPHG-TXTDGAROSA-N	0	1	531.605	5.049	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCOC)cc1OC	ZINC000102547837	554960168	/nfs/dbraw/zinc/96/01/68/554960168.db2.gz	KNOFZCJCJWTPHG-DFXXOVSGSA-N	0	1	531.605	5.049	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)s1	ZINC000102559075	554966403	/nfs/dbraw/zinc/96/64/03/554966403.db2.gz	KZJNLWQAQIJUTQ-SBXHHDGASA-N	0	1	542.573	5.268	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000102559146	554966492	/nfs/dbraw/zinc/96/64/92/554966492.db2.gz	WKVNYRAWKOVRQD-YELMDPSYSA-N	0	1	549.627	5.298	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000102559861	554967098	/nfs/dbraw/zinc/96/70/98/554967098.db2.gz	QPEWYZOUVUHSST-SBXHHDGASA-N	0	1	565.003	5.364	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000102563266	554968842	/nfs/dbraw/zinc/96/88/42/554968842.db2.gz	BXQHQUBNEOHPCP-ZHJYXLETSA-N	0	1	535.600	5.511	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000102567727	554970131	/nfs/dbraw/zinc/97/01/31/554970131.db2.gz	HVTOXUZYSRLQCF-WRPQUVRJSA-N	0	1	577.634	6.058	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc(O)c2)s1	ZINC000102584107	554972858	/nfs/dbraw/zinc/97/28/58/554972858.db2.gz	SZFWHPDKXNZWNQ-NXLSWJSLSA-N	0	1	513.575	5.066	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1	ZINC000102588432	554973569	/nfs/dbraw/zinc/97/35/69/554973569.db2.gz	RZMFZJNXDCJEBC-MOBKVPTQSA-N	0	1	528.439	5.257	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(O)c3)ccc2O1	ZINC000102602700	554977964	/nfs/dbraw/zinc/97/79/64/554977964.db2.gz	IHAFYXDHGXPMTC-WRPQUVRJSA-N	0	1	592.098	6.139	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C	ZINC000102606114	554978843	/nfs/dbraw/zinc/97/88/43/554978843.db2.gz	VQCABXWELQQNRA-IVCQMTBJSA-N	0	1	549.649	5.386	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000102607253	554979816	/nfs/dbraw/zinc/97/98/16/554979816.db2.gz	NPUMQXUHTMQXFS-AYWGPLOBSA-N	0	1	596.061	6.020	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000102607135	554979875	/nfs/dbraw/zinc/97/98/75/554979875.db2.gz	UEVGFXUCYAUHFM-ZHHPLPSFSA-N	0	1	579.606	5.506	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000102608950	554980524	/nfs/dbraw/zinc/98/05/24/554980524.db2.gz	QCMMDOSYTRQXQC-DFXXOVSGSA-N	0	1	535.556	5.499	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000102610475	554980759	/nfs/dbraw/zinc/98/07/59/554980759.db2.gz	BSFPEMHCEMBYLB-ONQGDUAMSA-N	0	1	615.733	6.325	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102617073	554984526	/nfs/dbraw/zinc/98/45/26/554984526.db2.gz	NLEDXEDYSGBOAT-GMBUILNLSA-N	0	1	543.557	5.163	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000102617553	554984799	/nfs/dbraw/zinc/98/47/99/554984799.db2.gz	SGRFFHXBPPMVAC-AYWGPLOBSA-N	0	1	579.606	5.506	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000102617202	554984828	/nfs/dbraw/zinc/98/48/28/554984828.db2.gz	IKSNEODYSOWWSJ-IBGZPJMESA-N	0	1	531.417	6.026	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000102640475	554990426	/nfs/dbraw/zinc/99/04/26/554990426.db2.gz	ASIDBJZYENHVAF-DNNDWWBDSA-N	0	1	545.632	6.049	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000102650323	554995666	/nfs/dbraw/zinc/99/56/66/554995666.db2.gz	UVJYGFAVVGCXRT-KBNMONRCSA-N	0	1	561.634	6.220	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000102651648	554996101	/nfs/dbraw/zinc/99/61/01/554996101.db2.gz	LVOZOFLAAJFTJN-QNIVJUIWSA-N	0	1	589.670	5.928	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000102652889	554996849	/nfs/dbraw/zinc/99/68/49/554996849.db2.gz	IDKQRYIGJSPLJL-RWMNMRIUSA-N	0	1	556.659	5.995	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000102654026	554997466	/nfs/dbraw/zinc/99/74/66/554997466.db2.gz	BXBOPXKYVOKMOI-TVKWNQJWSA-N	0	1	525.645	6.243	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000102655442	554998318	/nfs/dbraw/zinc/99/83/18/554998318.db2.gz	PZNROVYMGXBGRG-JEPDFCTISA-N	0	1	529.637	5.288	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102671207	555002699	/nfs/dbraw/zinc/00/26/99/555002699.db2.gz	IGHWROWUBAYKIH-BBHOXHGRSA-N	0	1	594.089	6.573	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(O)c3)ccc2O1	ZINC000102679216	555004721	/nfs/dbraw/zinc/00/47/21/555004721.db2.gz	MPHNXZIRBAMDLZ-BBHOXHGRSA-N	0	1	575.643	5.625	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102696397	555011372	/nfs/dbraw/zinc/01/13/72/555011372.db2.gz	RBWMYRXTKFAPFL-ZHHPLPSFSA-N	0	1	531.546	5.156	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000102697105	555011963	/nfs/dbraw/zinc/01/19/63/555011963.db2.gz	VPEASKNJDVJONF-WGGXKBPPSA-N	0	1	520.585	5.600	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCOC)cc1	ZINC000102700371	555012934	/nfs/dbraw/zinc/01/29/34/555012934.db2.gz	WOXQNVTWRNNEAT-MIOXIQPJSA-N	0	1	527.617	5.597	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCOC)cc1	ZINC000102701465	555013134	/nfs/dbraw/zinc/01/31/34/555013134.db2.gz	MSGQBGNFICHFSU-MIOXIQPJSA-N	0	1	529.633	5.821	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000102704820	555013906	/nfs/dbraw/zinc/01/39/06/555013906.db2.gz	LXHVODBMABOQCW-MOBKVPTQSA-N	0	1	520.563	5.104	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000102710783	555016464	/nfs/dbraw/zinc/01/64/64/555016464.db2.gz	XMLKDFZCTSELBY-TXTDGAROSA-N	0	1	535.556	5.499	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102722335	555020447	/nfs/dbraw/zinc/02/04/47/555020447.db2.gz	DFFCKWVSRSPBNC-HOGKFDNTSA-N	0	1	519.966	6.047	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102726469	555021916	/nfs/dbraw/zinc/02/19/16/555021916.db2.gz	UWFSWKFZGSEZNA-MOBKVPTQSA-N	0	1	503.511	5.532	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000102735312	555025306	/nfs/dbraw/zinc/02/53/06/555025306.db2.gz	ZTBMMTANUTWTSS-QJGFIUGVSA-N	0	1	521.569	5.804	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102736981	555026395	/nfs/dbraw/zinc/02/63/95/555026395.db2.gz	UXLVVDZMFOWANP-HAQIDCBSSA-N	0	1	557.584	5.553	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102737017	555026717	/nfs/dbraw/zinc/02/67/17/555026717.db2.gz	HZBMRQDECDMLNG-JRPVAJNPSA-N	0	1	557.584	5.553	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)s2)cc1	ZINC000102771299	555059995	/nfs/dbraw/zinc/05/99/95/555059995.db2.gz	BQXRHKGOCCDQNE-MWCANZRFSA-N	0	1	590.126	6.742	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102771311	555060033	/nfs/dbraw/zinc/06/00/33/555060033.db2.gz	PBDLXELTLIFQJU-WRPQUVRJSA-N	0	1	594.089	6.573	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)s2)cc1	ZINC000102771448	555060398	/nfs/dbraw/zinc/06/03/98/555060398.db2.gz	NNQBECOHYBXCFG-NEMSTITPSA-N	0	1	573.671	6.228	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccs3)ccc2O1	ZINC000102771544	555060684	/nfs/dbraw/zinc/06/06/84/555060684.db2.gz	NOBWSQFCHBHUCV-NSEAICKMSA-N	0	1	509.008	5.961	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000102857001	555088239	/nfs/dbraw/zinc/08/82/39/555088239.db2.gz	MLMUPUUDKVEUJS-MOBKVPTQSA-N	0	1	541.412	6.247	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102861854	555091881	/nfs/dbraw/zinc/09/18/81/555091881.db2.gz	MIAJJMMYMMMJHS-ZHHPLPSFSA-N	0	1	531.546	5.238	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000102864520	555094130	/nfs/dbraw/zinc/09/41/30/555094130.db2.gz	KQVDUKJYFPTZOW-HOGKFDNTSA-N	0	1	508.958	6.114	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(Br)c2)cc1	ZINC000102864667	555094211	/nfs/dbraw/zinc/09/42/11/555094211.db2.gz	ZXZXYEFEEHNNMM-NHFXJNLRSA-N	0	1	513.413	5.547	50	30		KKEAMN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102866303	555095524	/nfs/dbraw/zinc/09/55/24/555095524.db2.gz	RWDZVRALBYPOQJ-MOBKVPTQSA-N	0	1	506.898	5.051	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1	ZINC000102868130	555097682	/nfs/dbraw/zinc/09/76/82/555097682.db2.gz	BQFJQTSJPSOERR-NHFXJNLRSA-N	0	1	547.630	6.491	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000102868648	555097872	/nfs/dbraw/zinc/09/78/72/555097872.db2.gz	NWJIVEYCBFEERE-WENCHWOGSA-N	0	1	541.644	5.862	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000102868931	555098233	/nfs/dbraw/zinc/09/82/33/555098233.db2.gz	NGKWEYATQDACPK-GROYHEBESA-N	0	1	547.814	5.280	50	30		KKEAMN
CCCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1	ZINC000102869082	555098498	/nfs/dbraw/zinc/09/84/98/555098498.db2.gz	XSNYUNULXNPZAW-IWWXRALLSA-N	0	1	556.703	7.266	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000102869807	555099438	/nfs/dbraw/zinc/09/94/38/555099438.db2.gz	WBBIIJQFWQLFFX-WNQPQFFOSA-N	0	1	603.697	6.318	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102870007	555099654	/nfs/dbraw/zinc/09/96/54/555099654.db2.gz	RABNQCANCXSBRS-CGKJMNDRSA-N	0	1	591.483	6.407	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102870015	555099809	/nfs/dbraw/zinc/09/98/09/555099809.db2.gz	RABNQCANCXSBRS-JFTLGNCFSA-N	0	1	591.483	6.407	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000102870166	555100081	/nfs/dbraw/zinc/10/00/81/555100081.db2.gz	ZVVXJKIBEHNPGA-VEZPTTSMSA-N	0	1	550.611	5.695	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccncc2)cc1OC	ZINC000102870186	555100451	/nfs/dbraw/zinc/10/04/51/555100451.db2.gz	VQQXHWFNPXKHCX-QMMFTLRZSA-N	0	1	550.611	5.608	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000102872515	555103221	/nfs/dbraw/zinc/10/32/21/555103221.db2.gz	RYNNIQKWYFHBBY-ZHJYXLETSA-N	0	1	511.618	5.853	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000102874488	555104571	/nfs/dbraw/zinc/10/45/71/555104571.db2.gz	DLSDNZZBUZFMIU-ZORLYMSLSA-N	0	1	570.686	5.117	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000102874619	555104926	/nfs/dbraw/zinc/10/49/26/555104926.db2.gz	PWWOIDQTPBRTJY-WGGXKBPPSA-N	0	1	548.724	5.615	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000102877996	555107173	/nfs/dbraw/zinc/10/71/73/555107173.db2.gz	KSUDEAQMIUKZID-VTVSLZSGSA-N	0	1	511.618	6.201	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102878006	555107232	/nfs/dbraw/zinc/10/72/32/555107232.db2.gz	RJWQLXKFHFKMKR-YDJIHCHBSA-N	0	1	525.380	5.677	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102878169	555107479	/nfs/dbraw/zinc/10/74/79/555107479.db2.gz	KEBKWBAVNMRFPH-NHFXJNLRSA-N	0	1	525.380	5.677	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000102878750	555107740	/nfs/dbraw/zinc/10/77/40/555107740.db2.gz	JSRXCUDQSHUVJZ-NHFXJNLRSA-N	0	1	571.449	5.334	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)cc1	ZINC000102880021	555108971	/nfs/dbraw/zinc/10/89/71/555108971.db2.gz	PNYUCUFISDPCLT-DFXXOVSGSA-N	0	1	507.590	5.283	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000102880208	555109267	/nfs/dbraw/zinc/10/92/67/555109267.db2.gz	VDAIJGSCNPEUPZ-VDBNUPDGSA-N	0	1	555.671	6.456	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000102883140	555111299	/nfs/dbraw/zinc/11/12/99/555111299.db2.gz	JHZFMQZQKOCJDZ-AYWGPLOBSA-N	0	1	536.993	5.602	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000102884786	555114426	/nfs/dbraw/zinc/11/44/26/555114426.db2.gz	ZGUBPBDPDDYIMP-ZHJYXLETSA-N	0	1	559.663	5.296	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102884850	555114902	/nfs/dbraw/zinc/11/49/02/555114902.db2.gz	DPMWTKALXRFBKJ-ZHHPLPSFSA-N	0	1	565.445	6.011	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000102885136	555115123	/nfs/dbraw/zinc/11/51/23/555115123.db2.gz	DYTNIDYBARGFRX-LOOKCOSASA-N	0	1	528.605	5.214	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000102886506	555116951	/nfs/dbraw/zinc/11/69/51/555116951.db2.gz	ZQXUWSYQDGMJKD-FSISNWKMSA-N	0	1	561.015	5.686	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C	ZINC000102887218	555118628	/nfs/dbraw/zinc/11/86/28/555118628.db2.gz	GOMDOQUDRZSUSY-ONQGDUAMSA-N	0	1	614.676	5.856	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000102887575	555119573	/nfs/dbraw/zinc/11/95/73/555119573.db2.gz	MZFYZOQAINNGNC-PDZZUNKHSA-N	0	1	605.112	7.087	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000102888402	555121487	/nfs/dbraw/zinc/12/14/87/555121487.db2.gz	XRNRSNMWIIYLNP-HYVCFMKYSA-N	0	1	621.740	6.942	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000102888624	555121760	/nfs/dbraw/zinc/12/17/60/555121760.db2.gz	YBLJCKVYHLNPIU-NSOCNUKWSA-N	0	1	617.724	6.708	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1	ZINC000102888911	555122514	/nfs/dbraw/zinc/12/25/14/555122514.db2.gz	XRYOYJSRAFUQJC-CZNAVJSXSA-N	0	1	556.596	5.128	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC	ZINC000102889128	555123153	/nfs/dbraw/zinc/12/31/53/555123153.db2.gz	IOBWTTIGQZPOIW-IUKMQXEJSA-N	0	1	608.669	5.213	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000102891279	555126794	/nfs/dbraw/zinc/12/67/94/555126794.db2.gz	SJBLOZWZIUCVCX-MOBKVPTQSA-N	0	1	539.396	6.001	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102891357	555127085	/nfs/dbraw/zinc/12/70/85/555127085.db2.gz	KUPSLWUMVLRKBJ-NXLSWJSLSA-N	0	1	583.449	6.399	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc(Cl)c2)s1	ZINC000102891654	555127520	/nfs/dbraw/zinc/12/75/20/555127520.db2.gz	JXCNHQWCRJHISQ-NXLSWJSLSA-N	0	1	532.021	6.014	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC	ZINC000102892273	555128339	/nfs/dbraw/zinc/12/83/39/555128339.db2.gz	VJEJGLSBEGLNGA-LXIOPLLASA-N	0	1	593.057	5.925	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(OCc2ccccc2)c1	ZINC000102892259	555128496	/nfs/dbraw/zinc/12/84/96/555128496.db2.gz	GSKKMTYYJKFOOP-VEZPTTSMSA-N	0	1	533.580	5.659	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC	ZINC000102895011	555133594	/nfs/dbraw/zinc/13/35/94/555133594.db2.gz	FEPCSFCJEGRKRB-ONQGDUAMSA-N	0	1	607.084	6.535	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000102895115	555133724	/nfs/dbraw/zinc/13/37/24/555133724.db2.gz	KABSVXYFMBURGW-AHPONGEQSA-N	0	1	563.606	5.667	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000102926405	555150865	/nfs/dbraw/zinc/15/08/65/555150865.db2.gz	BUMXOSGYXHBSSE-UUALVTFQSA-N	0	1	516.594	5.064	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000102926802	555151382	/nfs/dbraw/zinc/15/13/82/555151382.db2.gz	LRTWRWXHGWMXLX-QJGFIUGVSA-N	0	1	527.617	5.819	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000102927247	555151953	/nfs/dbraw/zinc/15/19/53/555151953.db2.gz	QVMPHRYIRSRGQF-WGGXKBPPSA-N	0	1	526.677	5.855	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000102927247	555151955	/nfs/dbraw/zinc/15/19/55/555151955.db2.gz	QVMPHRYIRSRGQF-WGGXKBPPSA-N	0	1	526.677	5.855	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000102927904	555152633	/nfs/dbraw/zinc/15/26/33/555152633.db2.gz	BVNPYQFXPORLCJ-HOGKFDNTSA-N	0	1	518.547	5.009	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102927999	555152851	/nfs/dbraw/zinc/15/28/51/555152851.db2.gz	FBQRBFIIAVDATA-WOOAAIBNSA-N	0	1	527.421	5.755	50	30		KKEAMN
CN(C)c1ccc(C(=NC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccc(N(C)C)cc2)cc1	ZINC000102928236	555153584	/nfs/dbraw/zinc/15/35/84/555153584.db2.gz	KCNAZYJBRCZDJG-UHFFFAOYSA-N	0	1	584.698	5.068	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1	ZINC000102928619	555154170	/nfs/dbraw/zinc/15/41/70/555154170.db2.gz	AQAHPOPMAQDSMF-ZHHPLPSFSA-N	0	1	504.564	5.621	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000102929318	555154967	/nfs/dbraw/zinc/15/49/67/555154967.db2.gz	UVBZQBPLRATORX-AYWGPLOBSA-N	0	1	520.994	5.983	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc(Br)c1O	ZINC000102929278	555155001	/nfs/dbraw/zinc/15/50/01/555155001.db2.gz	FRPLFMHWVWRSEH-FSDXSRJSSA-N	0	1	564.432	5.151	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccccc3F)sc2c1	ZINC000102929790	555155858	/nfs/dbraw/zinc/15/58/58/555155858.db2.gz	UKKORBBHMFSLRY-ZHHPLPSFSA-N	0	1	504.539	5.469	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000102930437	555156963	/nfs/dbraw/zinc/15/69/63/555156963.db2.gz	CZJCBHFJCKQIBH-WSOTVMCUSA-N	0	1	575.661	6.610	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000102930428	555157065	/nfs/dbraw/zinc/15/70/65/555157065.db2.gz	CZJCBHFJCKQIBH-UGQRDJPYSA-N	0	1	575.661	6.610	50	30		KKEAMN
CCCC(=O)C1=C(Nc2ccc(NC3=C(C(=O)CCC)C(O)=C(C(=O)OC)C(C)(C)C3)cc2)CC(C)(C)[C@H](C(=O)OC)C1=O	ZINC000102942652	555170839	/nfs/dbraw/zinc/17/08/39/555170839.db2.gz	QOJVZOOCNMVEBA-HNRBIFIRSA-N	0	1	608.732	5.333	50	30		KKEAMN
CN(C)c1ccc(C(=NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c2ccc(N(C)C)cc2)cc1	ZINC000102957973	555174439	/nfs/dbraw/zinc/17/44/39/555174439.db2.gz	LNBNVNJYTOELMD-UHFFFAOYSA-N	0	1	544.652	5.436	50	30		KKEAMN
CCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CC1	ZINC000102996055	555195523	/nfs/dbraw/zinc/19/55/23/555195523.db2.gz	NBPBIWLHJKXDLZ-GDLZYMKVSA-N	0	1	513.723	5.646	50	30		KKEAMN
CCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C	ZINC000102996149	555195743	/nfs/dbraw/zinc/19/57/43/555195743.db2.gz	SLNVVGBUZQPBNY-JHOBJCJYSA-N	0	1	527.750	6.035	50	30		KKEAMN
N#Cc1ccccc1Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21	ZINC000103537519	555436629	/nfs/dbraw/zinc/43/66/29/555436629.db2.gz	XYSDYVXKQDKLRT-YDZHTSKRSA-N	0	1	541.430	5.155	50	30		KKEAMN
O=C(N1CCN2CCC[C@@H]2C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000103549106	555442431	/nfs/dbraw/zinc/44/24/31/555442431.db2.gz	BEERVHFOVIPLKZ-SSDOTTSWSA-N	0	1	572.259	5.302	50	30		KKEAMN
Cc1ccc(Nc2nc(=NN=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc(N3CCOCC3)[nH]2)cc1Cl	ZINC000252629183	562881749	/nfs/dbraw/zinc/88/17/49/562881749.db2.gz	UANOSVAUVVZVOP-UHFFFAOYSA-N	0	1	534.964	5.028	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000103929009	571370132	/nfs/dbraw/zinc/37/01/32/571370132.db2.gz	VMUUTVRLRWITNF-YDJIHCHBSA-N	0	1	561.443	5.878	50	30		KKEAMN
C=CCOc1c(Br)cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OCC	ZINC000105980714	571409819	/nfs/dbraw/zinc/40/98/19/571409819.db2.gz	HPRHWCKDAQPIQB-LFIBNONCSA-N	0	1	525.471	5.020	50	30		KKEAMN
O=[N+]([O-])c1c(Br)cc(Br)c(/N=C/c2cc(Br)cc(Br)c2O)c1Br	ZINC000150349084	571461458	/nfs/dbraw/zinc/46/14/58/571461458.db2.gz	AIYBJTGDAPZAKV-RMOCHZDMSA-N	0	1	636.714	6.864	50	30		KKEAMN
N#Cc1ccccc1S(=O)(=O)Nc1cccc(SC2=C(Nc3ccc(Br)cc3)C(=O)N(c3ccccc3)C2=O)c1	ZINC000150403147	571478639	/nfs/dbraw/zinc/47/86/39/571478639.db2.gz	HXFUYKLWYCEQGZ-UHFFFAOYSA-N	0	1	631.533	6.111	50	30		KKEAMN
Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1ccc(F)cc1	ZINC000150404458	571479067	/nfs/dbraw/zinc/47/90/67/571479067.db2.gz	GTTUEWUXBJEJFL-HHHXNRCGSA-N	0	1	650.782	8.338	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150418412	571486543	/nfs/dbraw/zinc/48/65/43/571486543.db2.gz	JCTKKPYJMAPTQD-XKNZNLGKSA-N	0	1	647.750	6.717	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000150422193	571488069	/nfs/dbraw/zinc/48/80/69/571488069.db2.gz	ATQWIISOWXZCHV-RWTZSVALSA-N	0	1	699.810	7.960	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C	ZINC000150422220	571488371	/nfs/dbraw/zinc/48/83/71/571488371.db2.gz	VVFUEDKKESHPCC-NNZNMFTDSA-N	0	1	689.831	7.743	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000150426361	571490555	/nfs/dbraw/zinc/49/05/55/571490555.db2.gz	YOQFDFNZDWOERT-QNIVJUIWSA-N	0	1	634.135	6.220	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC	ZINC000150428564	571492162	/nfs/dbraw/zinc/49/21/62/571492162.db2.gz	NPVIZSMGCMNVCS-PMERELPUSA-N	0	1	706.871	8.606	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1	ZINC000150435546	571495434	/nfs/dbraw/zinc/49/54/34/571495434.db2.gz	LOSQQCCTQRVVIX-JOZOHXTNSA-N	0	1	709.821	7.897	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1	ZINC000150435797	571495776	/nfs/dbraw/zinc/49/57/76/571495776.db2.gz	QNONWGPLBDCTDJ-UFCAPWSISA-N	0	1	743.863	8.359	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000150445108	571500137	/nfs/dbraw/zinc/50/01/37/571500137.db2.gz	QNKVXJFXHSPHSA-KFLIVHAJSA-N	0	1	660.748	7.934	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000150445111	571500221	/nfs/dbraw/zinc/50/02/21/571500221.db2.gz	QNKVXJFXHSPHSA-SZYGQJGOSA-N	0	1	660.748	7.934	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150445863	571500740	/nfs/dbraw/zinc/50/07/40/571500740.db2.gz	OFGLHEMHLKWAMY-FZIYRNTBSA-N	0	1	632.163	6.998	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150446804	571501091	/nfs/dbraw/zinc/50/10/91/571501091.db2.gz	KHBYPCXXTNRGHC-WYNCGZBVSA-N	0	1	648.206	7.612	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000150447011	571501158	/nfs/dbraw/zinc/50/11/58/571501158.db2.gz	NKFKFDCYWHCXMT-VWLOTQADSA-N	0	1	638.123	6.618	50	30		KKEAMN
C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c(NS(=O)(=O)c3ccc(F)cc3)c2)c1	ZINC000150452402	571503245	/nfs/dbraw/zinc/50/32/45/571503245.db2.gz	YZJMPEHJBQDTMV-UHFFFAOYSA-N	0	1	630.119	5.922	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150457683	571505014	/nfs/dbraw/zinc/50/50/14/571505014.db2.gz	HIBLOLNHIVPKHV-WKUSSTJHSA-N	0	1	682.651	8.266	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150457827	571505214	/nfs/dbraw/zinc/50/52/14/571505214.db2.gz	NGDBHKLVKGCDLV-QMDVFYPZSA-N	0	1	678.232	7.621	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150458489	571505535	/nfs/dbraw/zinc/50/55/35/571505535.db2.gz	NCJXTFSZHJPPNU-WSOTVMCUSA-N	0	1	677.848	8.502	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCCCC)c(OCC)c2)nc1C	ZINC000150459749	571505944	/nfs/dbraw/zinc/50/59/44/571505944.db2.gz	FAOJREGVWPWXOA-TXTDGAROSA-N	0	1	648.734	6.160	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000150460578	571506133	/nfs/dbraw/zinc/50/61/33/571506133.db2.gz	OGZWQOFRWNQHLP-NNZNMFTDSA-N	0	1	689.831	7.887	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)s2)cc1	ZINC000150460624	571506159	/nfs/dbraw/zinc/50/61/59/571506159.db2.gz	JKLBPGVAZJASOH-FCLPXNLHSA-N	0	1	641.815	7.513	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000150461452	571506277	/nfs/dbraw/zinc/50/62/77/571506277.db2.gz	NWBXBFHSXWCVNY-LOOKCOSASA-N	0	1	631.751	7.098	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000150462870	571506748	/nfs/dbraw/zinc/50/67/48/571506748.db2.gz	ZVYZBUBZZSZXNM-UZGIXAGNSA-N	0	1	675.804	7.497	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150462765	571506782	/nfs/dbraw/zinc/50/67/82/571506782.db2.gz	RXELSXPDPPZQLN-NBXYUPGTSA-N	0	1	682.223	8.013	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000150463187	571506920	/nfs/dbraw/zinc/50/69/20/571506920.db2.gz	IJVXLJJBEOTLQE-VXJPNWOUSA-N	0	1	645.778	7.344	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000150463107	571506958	/nfs/dbraw/zinc/50/69/58/571506958.db2.gz	VNPUIRGWYUCACF-WGGXKBPPSA-N	0	1	670.740	6.334	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000150463202	571507011	/nfs/dbraw/zinc/50/70/11/571507011.db2.gz	RFPIPEUKSBZXFL-QOISPNJLSA-N	0	1	641.815	7.658	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000150463522	571507203	/nfs/dbraw/zinc/50/72/03/571507203.db2.gz	KLHFHAIGLXADFB-QBCYBHDASA-N	0	1	645.778	7.344	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150463438	571507238	/nfs/dbraw/zinc/50/72/38/571507238.db2.gz	GWEAJFAZYLBVED-KBNMONRCSA-N	0	1	663.821	8.112	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150463870	571507424	/nfs/dbraw/zinc/50/74/24/571507424.db2.gz	GHIQIZFTIAXKMO-WENCHWOGSA-N	0	1	657.814	7.358	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000150463846	571507461	/nfs/dbraw/zinc/50/74/61/571507461.db2.gz	FWSCFIOLGYGWHX-DNPZSINUSA-N	0	1	693.847	8.121	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150467509	571508124	/nfs/dbraw/zinc/50/81/24/571508124.db2.gz	JKMPBZDLKOXVGM-CZNAVJSXSA-N	0	1	668.580	7.100	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150467633	571508254	/nfs/dbraw/zinc/50/82/54/571508254.db2.gz	REQYMQIYYXRQBN-NPJIAGGLSA-N	0	1	656.569	6.933	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000150471538	571509465	/nfs/dbraw/zinc/50/94/65/571509465.db2.gz	VLPMQSJEXNBJOA-RWTZSVALSA-N	0	1	723.873	8.349	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000150471540	571509554	/nfs/dbraw/zinc/50/95/54/571509554.db2.gz	VLPMQSJEXNBJOA-JHRPXHEESA-N	0	1	723.873	8.349	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)s2)cc1	ZINC000150472814	571510204	/nfs/dbraw/zinc/51/02/04/571510204.db2.gz	JBYJSYGGSIUHDS-AHPONGEQSA-N	0	1	663.777	7.115	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150473622	571510368	/nfs/dbraw/zinc/51/03/68/571510368.db2.gz	FCQKMIILEQPXIK-MIOXIQPJSA-N	0	1	694.231	7.459	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000150476807	571511090	/nfs/dbraw/zinc/51/10/90/571511090.db2.gz	JMJCAKNZIPLTIM-UUALVTFQSA-N	0	1	628.131	7.035	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150477264	571511203	/nfs/dbraw/zinc/51/12/03/571511203.db2.gz	WUNPPVGYBQJZLO-UUALVTFQSA-N	0	1	650.178	7.060	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150477266	571511334	/nfs/dbraw/zinc/51/13/34/571511334.db2.gz	WUNPPVGYBQJZLO-ONQGDUAMSA-N	0	1	650.178	7.060	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000150480384	571511912	/nfs/dbraw/zinc/51/19/12/571511912.db2.gz	WYANABXJEOPBAU-MIOXIQPJSA-N	0	1	677.776	6.945	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000150482801	571513479	/nfs/dbraw/zinc/51/34/79/571513479.db2.gz	ITUOTMFVHYQISU-VEZPTTSMSA-N	0	1	691.803	7.335	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(Br)c2)cc1F	ZINC000150483263	571513946	/nfs/dbraw/zinc/51/39/46/571513946.db2.gz	ZJOPOESRAQECML-SANMLTNESA-N	0	1	646.563	7.977	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000150484876	571515411	/nfs/dbraw/zinc/51/54/11/571515411.db2.gz	GKZPVEVDUNHMNT-FSISNWKMSA-N	0	1	644.989	7.740	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000150485488	571515949	/nfs/dbraw/zinc/51/59/49/571515949.db2.gz	VULMHLJPDSBQAW-SSEXGKCCSA-N	0	1	690.872	8.987	50	30		KKEAMN
CCOC(=O)c1c(N=Cc2cc(I)cc(I)c2O)sc2c1CCN(Cc1ccccc1)C2	ZINC000245228927	572206001	/nfs/dbraw/zinc/20/60/01/572206001.db2.gz	JECFBQKQYVNBEY-UHFFFAOYSA-N	0	1	672.326	6.149	50	30		KKEAMN
COc1ccc(N=C2S/C(=C\c3cc(Br)cc(Br)c3O)C(=O)N2CC(C)C)cc1	ZINC000252599751	572267304	/nfs/dbraw/zinc/26/73/04/572267304.db2.gz	DLDGIEATOCBYMR-VOZMJUITSA-N	0	1	540.277	6.186	50	30		KKEAMN
CCCCC1SC(=NN=Cc2c(OS(=O)(=O)c3ccc(OCC)cc3)ccc3ccccc32)NC1=O	ZINC000252607027	572267919	/nfs/dbraw/zinc/26/79/19/572267919.db2.gz	GXPBRVXJTCFUET-XMMPIXPASA-N	0	1	525.652	5.118	50	30		KKEAMN
O=C(CSc1nc2ccc(N=Cc3cc(Cl)cc(Cl)c3O)cc2s1)NCCc1ccccc1	ZINC000252613173	572268462	/nfs/dbraw/zinc/26/84/62/572268462.db2.gz	IZCVKGNVZRSVBD-UHFFFAOYSA-N	0	1	516.475	6.510	50	30		KKEAMN
Oc1c(Cl)cc(Cl)cc1C=Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1	ZINC000252618437	572269150	/nfs/dbraw/zinc/26/91/50/572269150.db2.gz	LGPIUNARGVFYDA-UHFFFAOYSA-N	0	1	543.575	7.516	50	30		KKEAMN
CCc1ccccc1N=C1S/C(=C\c2cc(Br)cc(Br)c2O)C(=O)N1c1ccccc1CC	ZINC000252619469	572269268	/nfs/dbraw/zinc/26/92/68/572269268.db2.gz	LQESSZXYFUMSCO-YLOHPIGASA-N	0	1	586.349	7.851	50	30		KKEAMN
COc1ccccc1NC(=O)CSc1nc2ccc(N=Cc3cc(Br)cc(Br)c3O)cc2s1	ZINC000252621632	572269582	/nfs/dbraw/zinc/26/95/82/572269582.db2.gz	NDIRVCOMABUKMR-UHFFFAOYSA-N	0	1	607.349	7.017	50	30		KKEAMN
BrC(=CC=Nc1ccc(-c2nc3ccc(N=CC=C(Br)c4ccccc4)cc3[nH]2)cc1)c1ccccc1	ZINC000252627534	572270801	/nfs/dbraw/zinc/27/08/01/572270801.db2.gz	RWKXMVREAJZDII-IBIFRRASSA-N	0	1	610.353	9.507	50	30		KKEAMN
CCOc1cc(Br)c(Br)c(C=Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c1O	ZINC000252635894	572271843	/nfs/dbraw/zinc/27/18/43/572271843.db2.gz	XBIOMIZYUUBOQB-UHFFFAOYSA-N	0	1	546.215	6.889	50	30		KKEAMN
Oc1c(I)cc(I)cc1C=Nc1ccc(Cc2ccncc2)cc1	ZINC000252642928	572272544	/nfs/dbraw/zinc/27/25/44/572272544.db2.gz	ZRDDVGOPMPJFRB-UHFFFAOYSA-N	0	1	540.142	5.338	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@@H](CCC(C)C)c3ccco3)C1=O)O2	ZINC000253409678	572287178	/nfs/dbraw/zinc/28/71/78/572287178.db2.gz	MFGREMZEBVDNAO-BTPLGSOOSA-N	0	1	521.610	5.361	50	30		KKEAMN
C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@]2(O)C/N=C/c1cc(Cl)cc(Cl)c1O	ZINC000253501577	572294752	/nfs/dbraw/zinc/29/47/52/572294752.db2.gz	IMNYBTVHQUPUHM-ANWSAOQRSA-N	0	1	534.524	6.555	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000097967120	1069794475	/nfs/dbraw/zinc/79/44/75/1069794475.db2.gz	XUQFBNBMKPHSRS-YTTGMZPUSA-N	0	1	642.675	9.526	50	30		KKEAMN
CCCCCCCCOc1ccc([C@H](CC(=O)OC)c2c(O)cc(C)n(CCc3cnc[nH]3)c2=O)cc1	ZINC000888089729	1071061734	/nfs/dbraw/zinc/06/17/34/1071061734.db2.gz	CEFWXIGJLQSLNP-VWLOTQADSA-N	0	1	509.647	5.262	50	30		KKEAMN
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc3nc(-c4cccnc4)[nH]c3c2)C[C@@H]1C	ZINC000888089864	1071062570	/nfs/dbraw/zinc/06/25/70/1071062570.db2.gz	LJZTYACDXBOADE-POXGOYDTSA-N	0	1	530.968	5.214	50	30		KKEAMN
COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C=C(Nc2ccc3nc(-c4cccnc4)[nH]c3c2)C[C@H]1C	ZINC000888089862	1071062751	/nfs/dbraw/zinc/06/27/51/1071062751.db2.gz	LJZTYACDXBOADE-GMYLUUGSSA-N	0	1	530.968	5.214	50	30		KKEAMN
COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C=C(Nc2cccc(-c3n[nH]c(-c4ccccn4)n3)c2)C[C@H]1C	ZINC000888090358	1071064983	/nfs/dbraw/zinc/06/49/83/1071064983.db2.gz	VBYSTEQOPVRSKO-MHTXLSKPSA-N	0	1	557.994	5.123	50	30		KKEAMN
Cc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1/N=C/c1c(O)c(C(=O)Nc2ccccc2C)cc2ccccc21	ZINC000106814782	1071074823	/nfs/dbraw/zinc/07/48/23/1071074823.db2.gz	BHEUBBJANOVSOH-DPNNOFEESA-N	0	1	575.581	7.725	50	30		KKEAMN
CCN(CC)S(=O)(=O)c1ccc(N=NCc2ccc(N(c3ccccc3)c3ccccc3)cc2)c([N+](=O)[O-])c1	ZINC000263626699	1071153718	/nfs/dbraw/zinc/15/37/18/1071153718.db2.gz	SWKABOOCQJWIJJ-UHFFFAOYSA-N	0	1	543.649	6.541	50	30		KKEAMN
CCCCCCCCCCCCCCC1S/C(=N\N=Cc2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c(OC)c2)NC1=O	ZINC000252486803	1072834631	/nfs/dbraw/zinc/83/46/31/1072834631.db2.gz	NSWGQGDFGUKFEA-GDLZYMKVSA-N	0	1	660.859	7.692	50	30		KKEAMN
COc1ccc(C=C2CCCc3c2nc2ccccc2c3C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)cc1OC	ZINC000097980988	1072838914	/nfs/dbraw/zinc/83/89/14/1072838914.db2.gz	CIFOATLTLCTFQL-PGGUJSHWSA-N	0	1	553.640	5.927	50	30		KKEAMN
COc1ccc(C=C2CCCc3c2nc2ccccc2c3C(=O)OCC(=O)C(C#N)c2nc(C)cs2)cc1OC	ZINC000097980988	1072838931	/nfs/dbraw/zinc/83/89/31/1072838931.db2.gz	CIFOATLTLCTFQL-PGGUJSHWSA-N	0	1	553.640	5.927	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Br)c2)nc1C	ZINC000000631194	551505046	/nfs/dbraw/zinc/50/50/46/551505046.db2.gz	OZHSRUUCOUHZSO-IBGZPJMESA-N	0	1	541.423	5.482	50	30		KKEAMN
CCCc1sc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c2C)c(C#N)c1C	ZINC000000638250	551506719	/nfs/dbraw/zinc/50/67/19/551506719.db2.gz	XHFDFJYQVYGPDE-FYJGNVAPSA-N	0	1	502.665	5.428	50	30		KKEAMN
CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1	ZINC000000672222	551519483	/nfs/dbraw/zinc/51/94/83/551519483.db2.gz	IJBJLRXIGQWDIZ-JKFCTSDTSA-N	0	1	514.625	7.186	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2)cc1	ZINC000000672325	551519514	/nfs/dbraw/zinc/51/95/14/551519514.db2.gz	SYUCUYJSRZXWJT-GZGVDWRWSA-N	0	1	560.650	6.927	50	30		KKEAMN
CCN(CC)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccco3)C2)cc1	ZINC000000681773	551524642	/nfs/dbraw/zinc/52/46/42/551524642.db2.gz	XBERHAOLEBHNRL-WINIVTDRSA-N	0	1	523.555	6.589	50	30		KKEAMN
CCN(CC)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccco3)C2)cc1	ZINC000000681771	551524774	/nfs/dbraw/zinc/52/47/74/551524774.db2.gz	XBERHAOLEBHNRL-XHCCPWGMSA-N	0	1	523.555	6.589	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C	ZINC000000703034	551530231	/nfs/dbraw/zinc/53/02/31/551530231.db2.gz	FDOREGMMNLPNNE-OLILMLBXSA-N	0	1	542.632	5.617	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000000703085	551530619	/nfs/dbraw/zinc/53/06/19/551530619.db2.gz	BSWBDNYVVBLDHW-HMILPKGGSA-N	0	1	531.605	5.815	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000000703091	551530669	/nfs/dbraw/zinc/53/06/69/551530669.db2.gz	NRFBZUGEWRBMHJ-WENCNXQZSA-N	0	1	551.595	5.969	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1	ZINC000000718274	551535194	/nfs/dbraw/zinc/53/51/94/551535194.db2.gz	CLXOGWXCTKHVCL-XJFCNFDWSA-N	0	1	508.618	6.420	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000000718147	551535235	/nfs/dbraw/zinc/53/52/35/551535235.db2.gz	CUZCICFXLCZOFG-QJWGWKRISA-N	0	1	542.632	6.032	50	30		KKEAMN
CC(=O)N1c2ccc(C(=O)c3ccccc3)cc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000000864957	551552357	/nfs/dbraw/zinc/55/23/57/551552357.db2.gz	CBOCRASEOKOXNZ-MUUNZHRXSA-N	0	1	509.562	5.989	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1OC	ZINC000000867316	551553338	/nfs/dbraw/zinc/55/33/38/551553338.db2.gz	AKWOXFZBZVQYNZ-CPJLOUKISA-N	0	1	512.484	5.760	50	30		KKEAMN
COc1cc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc(OC)c1OC	ZINC000001070637	551602520	/nfs/dbraw/zinc/60/25/20/551602520.db2.gz	WCEKOHGEXIYCLY-CLYVBNDRSA-N	0	1	552.549	6.175	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC	ZINC000001070913	551602915	/nfs/dbraw/zinc/60/29/15/551602915.db2.gz	OMDDYQPXXBPWPU-PRAQEBQASA-N	0	1	599.640	5.635	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(Br)c1	ZINC000001168231	551620221	/nfs/dbraw/zinc/62/02/21/551620221.db2.gz	VTPVYIFYCAVANL-MMTVBGGISA-N	0	1	501.424	6.760	50	30		KKEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000001199030	551623041	/nfs/dbraw/zinc/62/30/41/551623041.db2.gz	GIQXVFDOZPSQOZ-JOCHJYFZSA-N	0	1	507.340	5.178	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000001261523	551633684	/nfs/dbraw/zinc/63/36/84/551633684.db2.gz	JKUBBKLSTHOFOP-DJUQAAIZSA-N	0	1	534.637	6.749	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1	ZINC000001293533	551637281	/nfs/dbraw/zinc/63/72/81/551637281.db2.gz	BVTQPPNNKUMGBJ-NRUKRWIHSA-N	0	1	538.644	6.429	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000001299044	551637869	/nfs/dbraw/zinc/63/78/69/551637869.db2.gz	WQOXGCDAFJMLJU-JCOAXYOVSA-N	0	1	554.643	6.032	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccc(OC)c(OC)c2)cc1	ZINC000001303165	551638514	/nfs/dbraw/zinc/63/85/14/551638514.db2.gz	LYYYXIWLMVGEQO-GDJIYFAZSA-N	0	1	552.549	6.175	50	30		KKEAMN
COc1cc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC	ZINC000001323128	551642055	/nfs/dbraw/zinc/64/20/55/551642055.db2.gz	LWEDEMYOOUAYRQ-BGOLNKOXSA-N	0	1	550.611	6.520	50	30	biogenic	KKEAMN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccccc1)c1ccc(Br)cc1	ZINC000001413408	551665425	/nfs/dbraw/zinc/66/54/25/551665425.db2.gz	URJIABDBVUHERS-DEOSSOPVSA-N	0	1	501.380	5.751	50	30		KKEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c1	ZINC000001413427	551665455	/nfs/dbraw/zinc/66/54/55/551665455.db2.gz	SXUVCPRNSWVEMA-AREMUKBSSA-N	0	1	561.432	5.769	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1	ZINC000001413419	551665490	/nfs/dbraw/zinc/66/54/90/551665490.db2.gz	WURXXEVVXITJLP-XMMPIXPASA-N	0	1	519.370	5.891	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1	ZINC000001413481	551665764	/nfs/dbraw/zinc/66/57/64/551665764.db2.gz	JLJQKSVRYSBYDQ-RUZDIDTESA-N	0	1	514.965	5.429	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000001413503	551665845	/nfs/dbraw/zinc/66/58/45/551665845.db2.gz	HXXXULYAFISUCJ-RUZDIDTESA-N	0	1	531.406	5.760	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c(OC)c1	ZINC000001413477	551665863	/nfs/dbraw/zinc/66/58/63/551665863.db2.gz	ZJWMEGODYFUORM-AREMUKBSSA-N	0	1	516.981	5.660	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000001413510	551666022	/nfs/dbraw/zinc/66/60/22/551666022.db2.gz	UXRAPDBLTDGOQT-MHZLTWQESA-N	0	1	512.562	5.015	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(Br)cc2)cc1	ZINC000001414701	551666338	/nfs/dbraw/zinc/66/63/38/551666338.db2.gz	GKYONOJYNXVHPC-VWLOTQADSA-N	0	1	515.407	6.060	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccc(Br)c2)cc1	ZINC000001414730	551666401	/nfs/dbraw/zinc/66/64/01/551666401.db2.gz	WPQPBRWWGIIYHF-RUZDIDTESA-N	0	1	515.407	6.060	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000001449853	551674896	/nfs/dbraw/zinc/67/48/96/551674896.db2.gz	JNSHSSVTYXAXQS-NRFANRHFSA-N	0	1	539.407	6.142	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]3c2cccs2)cc1	ZINC000001453813	551676352	/nfs/dbraw/zinc/67/63/52/551676352.db2.gz	FHAAAGBQBBZVLT-XFSFLGPDSA-N	0	1	596.705	6.997	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc(OC)c2)cc1	ZINC000001456951	551676735	/nfs/dbraw/zinc/67/67/35/551676735.db2.gz	PINFLBBQVAGMKE-JQJBXXCASA-N	0	1	530.624	6.918	50	30		KKEAMN
COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)NC[C@@H]2CCCO2)cc1OC	ZINC000001459841	551677986	/nfs/dbraw/zinc/67/79/86/551677986.db2.gz	BUUKWZDNHRKJFA-UZTOHYMASA-N	0	1	521.683	5.374	50	30		KKEAMN
COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)NC[C@@H]2CCCO2)cc1OC	ZINC000001459842	551678063	/nfs/dbraw/zinc/67/80/63/551678063.db2.gz	BUUKWZDNHRKJFA-PPHZAIPVSA-N	0	1	521.683	5.374	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000001463458	551679625	/nfs/dbraw/zinc/67/96/25/551679625.db2.gz	JXOZWJOKZSUEJT-DEOSSOPVSA-N	0	1	558.587	6.343	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000001479912	551681237	/nfs/dbraw/zinc/68/12/37/551681237.db2.gz	YKGMWRSITJVVCZ-XMMPIXPASA-N	0	1	581.046	6.157	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000001480814	551681968	/nfs/dbraw/zinc/68/19/68/551681968.db2.gz	XXEQBXABASDEGK-QHCPKHFHSA-N	0	1	550.564	5.253	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000001813264	551706772	/nfs/dbraw/zinc/70/67/72/551706772.db2.gz	LZRYSKVQLKYAJP-QYBDOPJKSA-N	0	1	585.707	6.254	50	30		KKEAMN
Cc1cc2nc(-c3ccc(/N=C/c4cc(Br)cc(Br)c4O)cc3)oc2c(C)c1	ZINC000001952083	551735401	/nfs/dbraw/zinc/73/54/01/551735401.db2.gz	BWSPLKKNEAUVBZ-OPEKNORGSA-N	0	1	500.190	7.093	50	30		KKEAMN
CN(C)c1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(Br)c4O)ccc3o2)cc1	ZINC000002051921	551738791	/nfs/dbraw/zinc/73/87/91/551738791.db2.gz	DZFDATRPOVMIQB-BRJLIKDPSA-N	0	1	515.205	6.542	50	30		KKEAMN
O=C(c1ccccc1)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000002109843	551766946	/nfs/dbraw/zinc/76/69/46/551766946.db2.gz	TYEXOVCCGDDLER-FWUCURJTSA-N	0	1	550.014	7.463	50	30		KKEAMN
COc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(I)c4O)ccc3o2)cc1	ZINC000002186532	551787560	/nfs/dbraw/zinc/78/75/60/551787560.db2.gz	DROSIZKFBBXGGE-BHGWPJFGSA-N	0	1	504.711	6.218	50	30		KKEAMN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc(Br)cc(Br)c1O	ZINC000002192936	551791315	/nfs/dbraw/zinc/79/13/15/551791315.db2.gz	ZIFBUANJTJPCQJ-QHCPKHFHSA-N	0	1	527.256	7.380	50	30		KKEAMN
C=C1C(C(=O)c2ccc(F)cc2)[C@H](c2ccccc2C(F)(F)F)NC(=S)N1c1ccc(Cl)cc1	ZINC000002664124	552151030	/nfs/dbraw/zinc/15/10/30/552151030.db2.gz	SZYADHYOHBWROX-QFIPXVFZSA-N	0	1	504.936	7.091	50	30		KKEAMN
C=C1C(C(=O)c2ccc(F)cc2)[C@@H](c2ccccc2C(F)(F)F)NC(=S)N1c1ccc(Cl)cc1	ZINC000002664123	552151065	/nfs/dbraw/zinc/15/10/65/552151065.db2.gz	SZYADHYOHBWROX-JOCHJYFZSA-N	0	1	504.936	7.091	50	30		KKEAMN
CC(C)(C)c1ccc(CSc2nc3ccc(/N=C/c4cc(Br)cc(Br)c4O)cc3s2)cc1	ZINC000003094839	552287227	/nfs/dbraw/zinc/28/72/27/552287227.db2.gz	GVVIUWLDQCVUHD-XODNFHPESA-N	0	1	590.406	8.867	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1/C=N/c1ccc2nc(-c3cccc(Br)c3)oc2c1	ZINC000003102963	552288146	/nfs/dbraw/zinc/28/81/46/552288146.db2.gz	KUOMUTNBWMCPRI-YSURURNPSA-N	0	1	551.032	7.239	50	30		KKEAMN
Oc1c(Br)cc(Br)cc1/C=N/c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1	ZINC000003113188	552289894	/nfs/dbraw/zinc/28/98/94/552289894.db2.gz	CSSPKXIKMZXLGY-YCPBAFNGSA-N	0	1	541.026	7.783	50	30		KKEAMN
Cc1cccc2oc(-c3cc(/N=C/c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)ccc3O)nc21	ZINC000003114209	552290072	/nfs/dbraw/zinc/29/00/72/552290072.db2.gz	QIXPDMCFIKHHLX-RWPZCVJISA-N	0	1	510.462	6.868	50	30		KKEAMN
CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(I)c4O)ccc3o2)cc1	ZINC000003162717	552297723	/nfs/dbraw/zinc/29/77/23/552297723.db2.gz	JQHDXWSGBXSDCY-UVHMKAGCSA-N	0	1	575.244	7.616	50	30		KKEAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(CCc2ccccc2)C2=C1C(=O)CC(C)(C)C2	ZINC000003626888	552395822	/nfs/dbraw/zinc/39/58/22/552395822.db2.gz	VNWRZIFECDBPJV-MUUNZHRXSA-N	0	1	523.555	5.002	50	30		KKEAMN
COC(=O)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)cc3s2)cc1	ZINC000003664346	552408286	/nfs/dbraw/zinc/40/82/86/552408286.db2.gz	NARSMOWVCWMCNK-LUOAPIJWSA-N	0	1	546.457	6.577	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1Cl	ZINC000003772231	552417725	/nfs/dbraw/zinc/41/77/25/552417725.db2.gz	FCQMRHTYXCHRAB-NHOCJEJCSA-N	0	1	589.607	9.772	50	30		KKEAMN
COc1ccc([N+](=O)[O-])cc1-c1ccc(CN=Nc2nc(Nc3ccc(C)cc3)nc(N3CCC(Cc4ccccc4)CC3)n2)o1	ZINC000004046604	552431173	/nfs/dbraw/zinc/43/11/73/552431173.db2.gz	SAIDFYBRFRLCBH-FADJLKOXSA-N	0	1	618.698	7.006	50	30		KKEAMN
Clc1ccc(COc2c(I)cc(C=NN=c3[nH]c4ccccc4[nH]3)cc2I)c(Cl)c1	ZINC000004067455	552432699	/nfs/dbraw/zinc/43/26/99/552432699.db2.gz	VCKVPQLRKYWTBS-NSKAYECMSA-N	0	1	663.084	7.104	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(Br)c1)c1ccc(Cl)cc1	ZINC000004635184	552469534	/nfs/dbraw/zinc/46/95/34/552469534.db2.gz	JOHIMXUWHZIZLY-DEOSSOPVSA-N	0	1	535.825	6.405	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000005355317	552498498	/nfs/dbraw/zinc/49/84/98/552498498.db2.gz	FCROLXKIGZLPOW-XMMPIXPASA-N	0	1	580.659	5.526	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000005355607	552498909	/nfs/dbraw/zinc/49/89/09/552498909.db2.gz	FRGGTRBJECFARK-VWLOTQADSA-N	0	1	578.687	6.297	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)cc1C	ZINC000005355549	552499007	/nfs/dbraw/zinc/49/90/07/552499007.db2.gz	IBBMIUGRZZIXNW-OAQYLSRUSA-N	0	1	524.570	5.257	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000005357006	552499401	/nfs/dbraw/zinc/49/94/01/552499401.db2.gz	SZCRBHAESOYHCM-QHCPKHFHSA-N	0	1	561.015	6.467	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000005918863	552511987	/nfs/dbraw/zinc/51/19/87/552511987.db2.gz	VXJKOMADERUPBC-MYUZEXMDSA-N	0	1	517.578	5.569	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000005918857	552512004	/nfs/dbraw/zinc/51/20/04/552512004.db2.gz	SGHUHRHOFHUTDE-GDJIYFAZSA-N	0	1	528.605	5.371	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2F)cc1C	ZINC000005919765	552512627	/nfs/dbraw/zinc/51/26/27/552512627.db2.gz	BHPGRFBIUKQASP-JOCHJYFZSA-N	0	1	536.581	5.423	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1	ZINC000005944486	552514692	/nfs/dbraw/zinc/51/46/92/552514692.db2.gz	VTGSPUMAADDXIP-IPBJYNAHSA-N	0	1	558.644	8.314	50	30		KKEAMN
CN(C)c1ccc(-c2nc3cc(/N=C/c4cc(I)cc(I)c4O)ccc3o2)cc1	ZINC000006136010	552540945	/nfs/dbraw/zinc/54/09/45/552540945.db2.gz	BMBHVFKKTBMVAM-BRJLIKDPSA-N	0	1	609.205	6.226	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1	ZINC000006297565	552579709	/nfs/dbraw/zinc/57/97/09/552579709.db2.gz	LWOGOHBSVIGFHK-UDNBHOFDSA-N	0	1	594.689	6.766	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1	ZINC000006445364	552587662	/nfs/dbraw/zinc/58/76/62/552587662.db2.gz	MDGKUTLYHFQUEX-HXUWFJFHSA-N	0	1	536.731	6.904	50	30		KKEAMN
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4nc(C)c(C(C)=O)s4)[C@H]3c3cc(OC)c(OC)c(OC)c3)oc21	ZINC000006459120	552590071	/nfs/dbraw/zinc/59/00/71/552590071.db2.gz	NDBWIIPSZXYDBE-QFIPXVFZSA-N	0	1	578.599	5.218	50	30		KKEAMN
Brc1ccc2[nH]c(=NN=Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc(-c3ccccc3)c2c1	ZINC000006474401	552592659	/nfs/dbraw/zinc/59/26/59/552592659.db2.gz	GSBMXVSNEUBQLZ-FMFFXOCNSA-N	0	1	544.456	7.963	50	30		KKEAMN
Brc1ccc2nc(N=NCc3cn(-c4ccccc4)nc3-c3ccccc3)cc(-c3ccccc3)c2c1	ZINC000006474401	552592662	/nfs/dbraw/zinc/59/26/62/552592662.db2.gz	GSBMXVSNEUBQLZ-FMFFXOCNSA-N	0	1	544.456	7.963	50	30		KKEAMN
CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000008383354	552986162	/nfs/dbraw/zinc/98/61/62/552986162.db2.gz	PWMUGMSHUYONLH-AREMUKBSSA-N	0	1	585.682	7.622	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1cccc(O)c1	ZINC000008383374	552986557	/nfs/dbraw/zinc/98/65/57/552986557.db2.gz	UPNAIHXJKPBLJG-HSZRJFAPSA-N	0	1	559.600	6.204	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc(OC)c1OC	ZINC000008383992	552988255	/nfs/dbraw/zinc/98/82/55/552988255.db2.gz	GTPPIILSVJYRCM-SANMLTNESA-N	0	1	629.716	6.694	50	30		KKEAMN
CCc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000008383984	552988259	/nfs/dbraw/zinc/98/82/59/552988259.db2.gz	FEEMLBZFVLLGMN-AREMUKBSSA-N	0	1	567.692	7.230	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H]1c1ccc(Cl)cc1	ZINC000008384047	552988705	/nfs/dbraw/zinc/98/87/05/552988705.db2.gz	NKWDMLCBLDGQAE-HSZRJFAPSA-N	0	1	594.501	7.666	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000008398918	553000104	/nfs/dbraw/zinc/00/01/04/553000104.db2.gz	KDFSJBXMDUSNAH-JIYROHSKSA-N	0	1	539.632	7.084	50	30		KKEAMN
CCCCN(CCCC)c1nc(N=NCc2cc(Br)cc(Br)c2O)nc(Nc2ccc([N+](=O)[O-])cc2)n1	ZINC000008402461	553006494	/nfs/dbraw/zinc/00/64/94/553006494.db2.gz	KBQOVAPEXBWKTR-JFLMPSFJSA-N	0	1	636.349	6.607	50	30		KKEAMN
CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)cc1	ZINC000008431512	553023289	/nfs/dbraw/zinc/02/32/89/553023289.db2.gz	CTKYMRBYNSQVIF-SSEXGKCCSA-N	0	1	515.053	7.124	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000008432425	553026069	/nfs/dbraw/zinc/02/60/69/553026069.db2.gz	RSEZBMBZLDGGCL-FLASPHMUSA-N	0	1	592.658	8.204	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000008432422	553026100	/nfs/dbraw/zinc/02/61/00/553026100.db2.gz	RSEZBMBZLDGGCL-WYOOIXGGSA-N	0	1	592.658	8.204	50	30		KKEAMN
COc1cccc([C@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1	ZINC000008432435	553026200	/nfs/dbraw/zinc/02/62/00/553026200.db2.gz	VWEZLJYQJVUPKD-HUBRWUETSA-N	0	1	608.666	7.075	50	30		KKEAMN
COc1cccc([C@@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1	ZINC000008432434	553026262	/nfs/dbraw/zinc/02/62/62/553026262.db2.gz	VWEZLJYQJVUPKD-OHWKKVTOSA-N	0	1	608.666	7.075	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000008432585	553026401	/nfs/dbraw/zinc/02/64/01/553026401.db2.gz	APKQPVUXNMOUDN-HKBQPEDESA-N	0	1	508.662	7.712	50	30		KKEAMN
CCN(CC)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(OC)cc2)cc1	ZINC000008432821	553027158	/nfs/dbraw/zinc/02/71/58/553027158.db2.gz	AHFGIUPSFMSOPO-HKBQPEDESA-N	0	1	523.677	6.998	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000008433089	553028008	/nfs/dbraw/zinc/02/80/08/553028008.db2.gz	GYJZENLFTVUQFY-ADSBAMQRSA-N	0	1	590.532	8.670	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)cc2)c(C)c1	ZINC000008433269	553028544	/nfs/dbraw/zinc/02/85/44/553028544.db2.gz	HXSACJMVJZYFNY-HSZRJFAPSA-N	0	1	550.633	5.517	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1Cl)c1ccc(Br)cc1	ZINC000008439946	553036308	/nfs/dbraw/zinc/03/63/08/553036308.db2.gz	WGMCTADMNJJVJO-HXUWFJFHSA-N	0	1	536.731	6.904	50	30		KKEAMN
COc1ccccc1[C@@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1c1cccc(C(F)(F)F)c1	ZINC000008439948	553036314	/nfs/dbraw/zinc/03/63/14/553036314.db2.gz	KZILOVKZHBEZGJ-OAQYLSRUSA-N	0	1	532.312	6.259	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC	ZINC000008441137	553039485	/nfs/dbraw/zinc/03/94/85/553039485.db2.gz	IJVASGSORHPDMI-SANMLTNESA-N	0	1	574.655	6.761	50	30		KKEAMN
CN(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000008441258	553039981	/nfs/dbraw/zinc/03/99/81/553039981.db2.gz	ARVSIJGXLAEKBO-RUZDIDTESA-N	0	1	568.680	6.426	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccc(OCc2ccccc2)cc1	ZINC000008441248	553040005	/nfs/dbraw/zinc/04/00/05/553040005.db2.gz	SEPHFPFVQVPFNV-SSEXGKCCSA-N	0	1	631.735	7.939	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1OCc1ccccc1	ZINC000008441514	553040979	/nfs/dbraw/zinc/04/09/79/553040979.db2.gz	HQINUQOZNLTDKL-QIAHQPDOSA-N	0	1	555.627	5.355	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1	ZINC000008441692	553041525	/nfs/dbraw/zinc/04/15/25/553041525.db2.gz	BGCIMKDXSUHNQJ-DEOSSOPVSA-N	0	1	549.435	7.749	50	30		KKEAMN
Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000008441769	553042138	/nfs/dbraw/zinc/04/21/38/553042138.db2.gz	GCZRIENQFRUBEI-NDEPHWFRSA-N	0	1	589.698	7.821	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1	ZINC000008441815	553042403	/nfs/dbraw/zinc/04/24/03/553042403.db2.gz	PKKBJFNAWUWTRH-SANMLTNESA-N	0	1	553.596	5.963	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1ccccc1F	ZINC000008441799	553042456	/nfs/dbraw/zinc/04/24/56/553042456.db2.gz	MZYFPCDFQCTVLS-HHHXNRCGSA-N	0	1	593.661	7.652	50	30		KKEAMN
CCOC(=O)c1c(CSc2nc(C)c(C=C(O)c3ccccc3)c(C)c2C#N)oc2ccc(O)cc21	ZINC000008442766	553044283	/nfs/dbraw/zinc/04/42/83/553044283.db2.gz	UMPVDKLBEPIBPK-UHFFFAOYSA-N	0	1	500.576	5.916	50	30		KKEAMN
CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1	ZINC000008444066	553049001	/nfs/dbraw/zinc/04/90/01/553049001.db2.gz	IJBJLRXIGQWDIZ-OOXUFLSTSA-N	0	1	514.625	7.186	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1OCC	ZINC000008444062	553049032	/nfs/dbraw/zinc/04/90/32/553049032.db2.gz	OAMRIZUYZGDHNX-WOPWWUTRSA-N	0	1	538.688	7.575	50	30		KKEAMN
CCCOc1ccccc1[C@H]1C2=C(C[C@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1	ZINC000008444108	553049288	/nfs/dbraw/zinc/04/92/88/553049288.db2.gz	MUBHCCUBTAOKDO-CYFIQEHSSA-N	0	1	558.678	7.698	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000008450861	553059434	/nfs/dbraw/zinc/05/94/34/553059434.db2.gz	ZQFLMJNTMHUAJG-JPZYQRIQSA-N	0	1	544.051	7.729	50	30		KKEAMN
Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000008450850	553059463	/nfs/dbraw/zinc/05/94/63/553059463.db2.gz	AABSDELTGRHGBY-NLGDKJDOSA-N	0	1	529.596	7.118	50	30		KKEAMN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cccc(Cl)c2)cc1	ZINC000008695596	553122180	/nfs/dbraw/zinc/12/21/80/553122180.db2.gz	XLYVPGQDWMIFQM-ZOYWYXQUSA-N	0	1	519.044	7.863	50	30		KKEAMN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cccc(Cl)c2)cc1	ZINC000008695595	553122216	/nfs/dbraw/zinc/12/22/16/553122216.db2.gz	XLYVPGQDWMIFQM-NLGDKJDOSA-N	0	1	519.044	7.863	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)Cc2ccccc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000008753280	553135797	/nfs/dbraw/zinc/13/57/97/553135797.db2.gz	FGNDYZKPCWKGSY-BWXVZPLGSA-N	0	1	604.703	6.864	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008770838	553141028	/nfs/dbraw/zinc/14/10/28/553141028.db2.gz	JYHDVSPKTPQHBR-LJAQVGFWSA-N	0	1	508.618	6.511	50	30		KKEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccs1	ZINC000008774730	553142359	/nfs/dbraw/zinc/14/23/59/553142359.db2.gz	BFQUFJGZOQQVAX-JOCHJYFZSA-N	0	1	507.409	5.813	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000008817907	553153127	/nfs/dbraw/zinc/15/31/27/553153127.db2.gz	SWENYVAHDMAUDZ-JOCHJYFZSA-N	0	1	518.522	5.014	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000008817906	553153170	/nfs/dbraw/zinc/15/31/70/553153170.db2.gz	SWENYVAHDMAUDZ-QFIPXVFZSA-N	0	1	518.522	5.014	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1	ZINC000008818024	553153352	/nfs/dbraw/zinc/15/33/52/553153352.db2.gz	CEXRSWUHIXTHEW-JOCHJYFZSA-N	0	1	520.538	5.244	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000008837622	553164040	/nfs/dbraw/zinc/16/40/40/553164040.db2.gz	QKHXDBCNFADIJH-QHCPKHFHSA-N	0	1	504.539	5.626	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000008838074	553164676	/nfs/dbraw/zinc/16/46/76/553164676.db2.gz	IWDIHSWTLBPWGB-QFIPXVFZSA-N	0	1	520.538	5.244	50	30		KKEAMN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(F)c2)cc1Br	ZINC000008846446	553166255	/nfs/dbraw/zinc/16/62/55/553166255.db2.gz	FLCRMGKKLKMMAE-OAQYLSRUSA-N	0	1	500.751	6.333	50	30		KKEAMN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccco3)C2)cc1	ZINC000008846685	553166630	/nfs/dbraw/zinc/16/66/30/553166630.db2.gz	YXJBVGKGKIRLFE-HFJWLAOPSA-N	0	1	508.540	7.040	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000008901716	553182272	/nfs/dbraw/zinc/18/22/72/553182272.db2.gz	HBXMZNASBQWDKM-JOCHJYFZSA-N	0	1	506.967	5.750	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000008903776	553183284	/nfs/dbraw/zinc/18/32/84/553183284.db2.gz	OZZDPERDLHETCN-NRFANRHFSA-N	0	1	522.554	5.115	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000008905334	553183733	/nfs/dbraw/zinc/18/37/33/553183733.db2.gz	LAGAEHJIWSIZLF-QFIPXVFZSA-N	0	1	506.536	5.088	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000008913844	553185544	/nfs/dbraw/zinc/18/55/44/553185544.db2.gz	DXBSAVMCHPDYLQ-WRGVRERRSA-N	0	1	517.025	6.668	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000008913845	553185633	/nfs/dbraw/zinc/18/56/33/553185633.db2.gz	DXBSAVMCHPDYLQ-KEEVHDRGSA-N	0	1	517.025	6.668	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(OC)c1	ZINC000008916663	553186829	/nfs/dbraw/zinc/18/68/29/553186829.db2.gz	FIGNKWDRYFQGOP-UDNBHOFDSA-N	0	1	529.080	7.830	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H]2c2cccc(OCc3ccccc3)c2)C1	ZINC000008916667	553186856	/nfs/dbraw/zinc/18/68/56/553186856.db2.gz	UNZSIFQOJYJJCQ-MGBGTMOVSA-N	0	1	528.652	7.722	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000008964764	553194784	/nfs/dbraw/zinc/19/47/84/553194784.db2.gz	ZOOAIEZLCAMZFL-RCRUUEGKSA-N	0	1	510.590	5.792	50	30	biogenic	KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000008973901	553195493	/nfs/dbraw/zinc/19/54/93/553195493.db2.gz	HILLUZFCIUFNFG-QHCPKHFHSA-N	0	1	520.994	6.140	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1	ZINC000008987994	553196788	/nfs/dbraw/zinc/19/67/88/553196788.db2.gz	LCIQDRTVGIVKGQ-FQEVSTJZSA-N	0	1	515.443	7.064	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000008996852	553197474	/nfs/dbraw/zinc/19/74/74/553197474.db2.gz	HBYIJYAPFUSFEK-MUUNZHRXSA-N	0	1	506.558	6.051	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(OC)c3OC)sc2c1	ZINC000009008173	553198557	/nfs/dbraw/zinc/19/85/57/553198557.db2.gz	OSSVOAFQNRIODD-OAQYLSRUSA-N	0	1	506.536	5.088	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000009019479	553201011	/nfs/dbraw/zinc/20/10/11/553201011.db2.gz	XFTUXURKZRVUPX-NDEPHWFRSA-N	0	1	512.650	6.501	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000009019550	553201015	/nfs/dbraw/zinc/20/10/15/553201015.db2.gz	HWIYMPKWFPJDDX-RUZDIDTESA-N	0	1	525.432	6.510	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccc(Br)c2)cc1C	ZINC000009019884	553201222	/nfs/dbraw/zinc/20/12/22/553201222.db2.gz	LQQPXPGJDIBOIZ-JOCHJYFZSA-N	0	1	502.405	5.161	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000009020142	553201347	/nfs/dbraw/zinc/20/13/47/553201347.db2.gz	MHKQWMZHLPKYJF-GOXGLGGOSA-N	0	1	522.645	6.954	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCOC)ccc1O	ZINC000009020048	553201366	/nfs/dbraw/zinc/20/13/66/553201366.db2.gz	NGHCOGBSJPOTSZ-NDEPHWFRSA-N	0	1	531.605	5.293	50	30		KKEAMN
CCCOc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CC)[C@@H]2c1ccc(OC)cc1	ZINC000009041889	553202501	/nfs/dbraw/zinc/20/25/01/553202501.db2.gz	MJHZXZCGVYCEKR-GHRAFVERSA-N	0	1	510.634	6.795	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009042329	553202676	/nfs/dbraw/zinc/20/26/76/553202676.db2.gz	RGGHHWSGGXDHQG-QFIPXVFZSA-N	0	1	502.523	5.313	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000009065073	553205754	/nfs/dbraw/zinc/20/57/54/553205754.db2.gz	UHLQQBASEQOHMF-HSZRJFAPSA-N	0	1	520.994	6.140	50	30		KKEAMN
Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000009067167	553206448	/nfs/dbraw/zinc/20/64/48/553206448.db2.gz	ZFTKLQRTMYAROC-FYJGNVAPSA-N	0	1	514.676	6.195	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000009068248	553206626	/nfs/dbraw/zinc/20/66/26/553206626.db2.gz	RQYFQOORJHTBID-OAQYLSRUSA-N	0	1	508.577	5.167	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000009160755	553215539	/nfs/dbraw/zinc/21/55/39/553215539.db2.gz	UUOHTRFLHDMZFW-HHHXNRCGSA-N	0	1	510.546	6.347	50	30		KKEAMN
COc1ccc(/C=N/c2cccc(C3=NN(c4ccccc4)[C@H](c4ccc(Br)cc4)C3)c2)cc1	ZINC000009183421	553216640	/nfs/dbraw/zinc/21/66/40/553216640.db2.gz	AIKLOCPDGOFHGR-CLCCEFQUSA-N	0	1	510.435	7.564	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1	ZINC000009186808	553217873	/nfs/dbraw/zinc/21/78/73/553217873.db2.gz	YLSVJLTYAQARPM-XMMPIXPASA-N	0	1	518.591	6.168	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCCCC)cc1	ZINC000009196770	553219666	/nfs/dbraw/zinc/21/96/66/553219666.db2.gz	SMUHTHHGFHAPPF-WJOKGBTCSA-N	0	1	502.699	7.979	50	30		KKEAMN
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000009210433	553220870	/nfs/dbraw/zinc/22/08/70/553220870.db2.gz	DYOSUTCJOWPPFV-HSZRJFAPSA-N	0	1	507.384	5.410	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3)sc2c1	ZINC000009236872	553225829	/nfs/dbraw/zinc/22/58/29/553225829.db2.gz	NTKGWCQYRFSESJ-QFIPXVFZSA-N	0	1	506.967	5.750	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009241431	553226397	/nfs/dbraw/zinc/22/63/97/553226397.db2.gz	AQDSNEKBBIFEGK-HSZRJFAPSA-N	0	1	520.994	6.140	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nccs2)c1	ZINC000009243099	553226858	/nfs/dbraw/zinc/22/68/58/553226858.db2.gz	FVTAQPZBPDHCHS-HSZRJFAPSA-N	0	1	506.580	5.122	50	30		KKEAMN
O=C(c1ccccc1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009246704	553227331	/nfs/dbraw/zinc/22/73/31/553227331.db2.gz	WGVUHSVAFYEZBA-DLLPINGYSA-N	0	1	515.569	6.809	50	30		KKEAMN
O=C(NC1CCCCC1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000009264240	553228849	/nfs/dbraw/zinc/22/88/49/553228849.db2.gz	YZIKHBBHZKJNKV-WRONEBCDSA-N	0	1	516.041	7.349	50	30		KKEAMN
COc1ccccc1[C@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)NC1CCCCC1	ZINC000009264333	553229104	/nfs/dbraw/zinc/22/91/04/553229104.db2.gz	MQMNGUZGUQURNX-KEEVHDRGSA-N	0	1	511.622	6.705	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C	ZINC000009271209	553230687	/nfs/dbraw/zinc/23/06/87/553230687.db2.gz	PACFMJLCKKCILH-QHCPKHFHSA-N	0	1	505.442	5.621	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C	ZINC000009271209	553230689	/nfs/dbraw/zinc/23/06/89/553230689.db2.gz	PACFMJLCKKCILH-QHCPKHFHSA-N	0	1	505.442	5.621	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(Br)c1	ZINC000009272200	553231488	/nfs/dbraw/zinc/23/14/88/553231488.db2.gz	APCVVIVNXRSBNB-HSZRJFAPSA-N	0	1	516.432	5.407	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCC)c(OC)c2)c(C)c1	ZINC000009272183	553231495	/nfs/dbraw/zinc/23/14/95/553231495.db2.gz	GKSAFSQKMVFPRQ-NDEPHWFRSA-N	0	1	530.621	5.755	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)ccc1OC(C)C	ZINC000009280138	553232807	/nfs/dbraw/zinc/23/28/07/553232807.db2.gz	SRRBUSGIVCPCQF-XMMPIXPASA-N	0	1	521.411	5.718	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000009292780	553235053	/nfs/dbraw/zinc/23/50/53/553235053.db2.gz	ZFKZQAFBBAFMGH-GDJIYFAZSA-N	0	1	528.605	5.371	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000009292796	553235059	/nfs/dbraw/zinc/23/50/59/553235059.db2.gz	CIZDZDPOHMSWPQ-PIKZIKFNSA-N	0	1	529.637	5.444	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000009292779	553235139	/nfs/dbraw/zinc/23/51/39/553235139.db2.gz	ZFKZQAFBBAFMGH-WHLCRQNOSA-N	0	1	528.605	5.371	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)nc1C	ZINC000009302113	553236131	/nfs/dbraw/zinc/23/61/31/553236131.db2.gz	FKWFYUWAFAVQOD-GOSISDBHSA-N	0	1	500.935	5.204	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)cc1OCC	ZINC000009312458	553240364	/nfs/dbraw/zinc/24/03/64/553240364.db2.gz	DUXFRUFYODTBKZ-XHCCPWGMSA-N	0	1	523.626	5.202	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Br)cc3s2)[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000009312823	553240742	/nfs/dbraw/zinc/24/07/42/553240742.db2.gz	JNMQBTWWPBFIEI-FQEVSTJZSA-N	0	1	509.356	5.981	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000009353412	553245531	/nfs/dbraw/zinc/24/55/31/553245531.db2.gz	JUPFWXXUHWOJIJ-MHZLTWQESA-N	0	1	516.594	5.365	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@@H]2c2ccc(Cl)c(Cl)c2)C1	ZINC000009353416	553245568	/nfs/dbraw/zinc/24/55/68/553245568.db2.gz	CLAMJFSJTARIRP-AREMUKBSSA-N	0	1	522.501	8.007	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009357754	553247207	/nfs/dbraw/zinc/24/72/07/553247207.db2.gz	FYXOWJQXQQLZIT-VWLOTQADSA-N	0	1	501.539	5.112	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000009357836	553247261	/nfs/dbraw/zinc/24/72/61/553247261.db2.gz	WCSFUJRSXGWBGX-RBTNQOKQSA-N	0	1	529.637	5.444	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000009357978	553247277	/nfs/dbraw/zinc/24/72/77/553247277.db2.gz	SQCDCXLICBCWAH-CHJDUVSTSA-N	0	1	525.645	6.400	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1	ZINC000009359128	553247946	/nfs/dbraw/zinc/24/79/46/553247946.db2.gz	UCJTXAWRJQWBFQ-NDEPHWFRSA-N	0	1	508.549	5.887	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H]1c1ccccc1F)c1ccccc1	ZINC000009370593	553250147	/nfs/dbraw/zinc/25/01/47/553250147.db2.gz	VUUPIFWUJVYFIC-HXUWFJFHSA-N	0	1	509.356	5.981	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000009374223	553250654	/nfs/dbraw/zinc/25/06/54/553250654.db2.gz	OUNRNXBXNXWTEN-MUUNZHRXSA-N	0	1	515.606	6.191	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1	ZINC000009379782	553251573	/nfs/dbraw/zinc/25/15/73/553251573.db2.gz	OFNQBGQEEQSIMU-MUUNZHRXSA-N	0	1	525.004	6.401	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1	ZINC000009380017	553251585	/nfs/dbraw/zinc/25/15/85/553251585.db2.gz	FSHLKZFRDMHFKR-VWLOTQADSA-N	0	1	500.561	6.961	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc1OC	ZINC000009380008	553251609	/nfs/dbraw/zinc/25/16/09/553251609.db2.gz	VMMHRLAQOLUHGZ-JIYROHSKSA-N	0	1	524.661	6.922	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000009424841	553258937	/nfs/dbraw/zinc/25/89/37/553258937.db2.gz	PDYAVSCHANAQMO-MUUNZHRXSA-N	0	1	513.590	5.458	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000009425078	553259121	/nfs/dbraw/zinc/25/91/21/553259121.db2.gz	FYFYHCNKNOAVND-HHHXNRCGSA-N	0	1	514.578	5.200	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3C)cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000009425145	553259341	/nfs/dbraw/zinc/25/93/41/553259341.db2.gz	SDVNMBVHLMZKSR-NDEPHWFRSA-N	0	1	531.605	5.206	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000009427530	553259847	/nfs/dbraw/zinc/25/98/47/553259847.db2.gz	COLFFLHIHXVIMJ-KPURRNSFSA-N	0	1	510.565	5.923	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000009452443	553266128	/nfs/dbraw/zinc/26/61/28/553266128.db2.gz	XHIHZJQZQIJPBJ-LJAQVGFWSA-N	0	1	527.617	5.848	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc(Cl)c3)cc2)c1	ZINC000009461527	553267777	/nfs/dbraw/zinc/26/77/77/553267777.db2.gz	LQDRESWYGCINLT-MUUNZHRXSA-N	0	1	525.004	6.401	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000009464827	553269407	/nfs/dbraw/zinc/26/94/07/553269407.db2.gz	KEFQSGHBHPCFTH-XHCCPWGMSA-N	0	1	501.579	5.951	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000009477527	553272428	/nfs/dbraw/zinc/27/24/28/553272428.db2.gz	VDOYSUNREOGKOQ-NDEPHWFRSA-N	0	1	525.004	6.401	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000009507911	553275962	/nfs/dbraw/zinc/27/59/62/553275962.db2.gz	VVAAFNCAKUZREJ-MHZLTWQESA-N	0	1	513.977	6.599	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(Cl)c3)cc2)c1	ZINC000009508057	553276032	/nfs/dbraw/zinc/27/60/32/553276032.db2.gz	HXBGASXQYLUKRE-HHHXNRCGSA-N	0	1	513.977	6.599	50	30		KKEAMN
COc1cc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC	ZINC000009601767	553286818	/nfs/dbraw/zinc/28/68/18/553286818.db2.gz	ADSSJJCETHAQDM-XDBZFTIUSA-N	0	1	514.578	5.616	50	30		KKEAMN
O=C(c1ccc(Cl)cc1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1F	ZINC000009720987	553300923	/nfs/dbraw/zinc/30/09/23/553300923.db2.gz	ZUQSHKMTXZJWIX-WKRVVKTRSA-N	0	1	523.007	7.694	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2F)cc1C	ZINC000009994091	553324395	/nfs/dbraw/zinc/32/43/95/553324395.db2.gz	OGVJAERZKWTLJA-OAQYLSRUSA-N	0	1	522.554	5.033	50	30		KKEAMN
C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N/c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000012559528	553393902	/nfs/dbraw/zinc/39/39/02/553393902.db2.gz	VDUIMSYELFBSAE-ZZIIXHQDSA-N	0	1	512.060	5.496	50	30		KKEAMN
Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(Cc3ccccc3)CC2)c1Cc1ccc(Cl)cc1	ZINC000012648584	553409107	/nfs/dbraw/zinc/40/91/07/553409107.db2.gz	FLJXDYPDJDNXAU-UHFFFAOYSA-N	0	1	506.053	6.234	50	30		KKEAMN
COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2ccccc2OC)cc1	ZINC000012652399	553410007	/nfs/dbraw/zinc/41/00/07/553410007.db2.gz	DFCSYOZGSFJHOZ-ROTAYESASA-N	0	1	520.585	6.511	50	30		KKEAMN
COc1ccccc1[C@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)Cc1cccs1	ZINC000012652417	553410062	/nfs/dbraw/zinc/41/00/62/553410062.db2.gz	DBOUWILPLQGQAT-QTEAWJPNSA-N	0	1	510.615	6.493	50	30		KKEAMN
Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1	ZINC000013307001	553458424	/nfs/dbraw/zinc/45/84/24/553458424.db2.gz	SNYPRNDQJAQRRU-YSURURNPSA-N	0	1	506.581	7.129	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(Cl)c3)cc2)c1	ZINC000013549146	553470018	/nfs/dbraw/zinc/47/00/18/553470018.db2.gz	IGZVFBCKQGUASJ-AREMUKBSSA-N	0	1	505.014	5.367	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(Cl)c3)cc2)c1	ZINC000013549146	553470020	/nfs/dbraw/zinc/47/00/20/553470020.db2.gz	IGZVFBCKQGUASJ-AREMUKBSSA-N	0	1	505.014	5.367	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(O)cc3)cc2)c1	ZINC000013571134	553473901	/nfs/dbraw/zinc/47/39/01/553473901.db2.gz	ANSXQCPKRGBCKW-MUUNZHRXSA-N	0	1	506.558	5.453	50	30		KKEAMN
CCOc1ccccc1-c1n[nH]c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)n1	ZINC000014162113	553505577	/nfs/dbraw/zinc/50/55/77/553505577.db2.gz	UJHBUSXCBYAHCG-INIZCTEOSA-N	0	1	509.701	6.075	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2F)c(C)c1	ZINC000016701029	553574731	/nfs/dbraw/zinc/57/47/31/553574731.db2.gz	WUIUQXBVCZQHKB-NRFANRHFSA-N	0	1	522.554	5.033	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000016729906	553576113	/nfs/dbraw/zinc/57/61/13/553576113.db2.gz	WZLBBQZZIGUEKU-MHZLTWQESA-N	0	1	519.594	6.034	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000016730283	553576477	/nfs/dbraw/zinc/57/64/77/553576477.db2.gz	IWQLOBGCBOXKES-IBGZPJMESA-N	0	1	514.962	5.512	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000016731751	553577296	/nfs/dbraw/zinc/57/72/96/553577296.db2.gz	UTVIXRMKOBHMOO-SANMLTNESA-N	0	1	507.558	6.083	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Br)c2)cc1Cl	ZINC000016733534	553578192	/nfs/dbraw/zinc/57/81/92/553578192.db2.gz	DBUPDVRIPMTTFJ-NRFANRHFSA-N	0	1	516.775	5.873	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(OCCC)c2)cc1	ZINC000016737251	553579273	/nfs/dbraw/zinc/57/92/73/553579273.db2.gz	HDUGSZDHCKNATO-HHHXNRCGSA-N	0	1	500.595	5.828	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCC)c(OCC)c2)cc1	ZINC000016737247	553579285	/nfs/dbraw/zinc/57/92/85/553579285.db2.gz	HLMXQXXTTFJPJX-MUUNZHRXSA-N	0	1	530.621	5.836	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(F)cc2)nc1C	ZINC000016805385	553582809	/nfs/dbraw/zinc/58/28/09/553582809.db2.gz	LBZQONRAOMYBRJ-HXUWFJFHSA-N	0	1	510.518	5.164	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000070672800	553602655	/nfs/dbraw/zinc/60/26/55/553602655.db2.gz	ZSQUSLALPQALPW-PLTNMMHCSA-N	0	1	544.648	6.786	50	30	biogenic	KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1O[C@H](C)CC	ZINC000070673507	553603712	/nfs/dbraw/zinc/60/37/12/553603712.db2.gz	OPQAWJZBDQKYQD-HHVGTGTNSA-N	0	1	554.687	7.192	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccnc1	ZINC000018116279	553604763	/nfs/dbraw/zinc/60/47/63/553604763.db2.gz	WCQNWLUMYBCBJD-JIYROHSKSA-N	0	1	525.649	6.580	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccnc1	ZINC000018116275	553604771	/nfs/dbraw/zinc/60/47/71/553604771.db2.gz	WCQNWLUMYBCBJD-HEIROHQZSA-N	0	1	525.649	6.580	50	30		KKEAMN
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)[C@H]3[C@@H]3O[C@]312	ZINC000070687874	553607652	/nfs/dbraw/zinc/60/76/52/553607652.db2.gz	RVDHJNLNSAIWPS-BOZFTMSHSA-N	0	1	536.663	5.197	50	30	biogenic	KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H]2c2ccc(OCc3ccccc3)cc2)C1	ZINC000018181756	553608029	/nfs/dbraw/zinc/60/80/29/553608029.db2.gz	QUPFWULGAMVKLA-MHZLTWQESA-N	0	1	520.551	6.971	50	30		KKEAMN
N#Cc1ccc([C@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1	ZINC000018254436	553611586	/nfs/dbraw/zinc/61/15/86/553611586.db2.gz	SNIBPKOEDAGUPW-RCRUUEGKSA-N	0	1	519.601	6.973	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC34CC5CC(CC(C5)C3)C4)[C@@H]2c2ccc(Cl)cc2)C1	ZINC000018285578	553612214	/nfs/dbraw/zinc/61/22/14/553612214.db2.gz	OGPGTLUQEZRCMR-ZZHIIEOYSA-N	0	1	530.112	7.635	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1C	ZINC000019938382	553637755	/nfs/dbraw/zinc/63/77/55/553637755.db2.gz	IZFJOIFYFYTPMJ-LJAQVGFWSA-N	0	1	526.633	5.279	50	30		KKEAMN
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc([N+](=O)[O-])c1O	ZINC000019938758	553637786	/nfs/dbraw/zinc/63/77/86/553637786.db2.gz	CSSITDPKQNXPQD-CBZJRKILSA-N	0	1	501.539	5.687	50	30		KKEAMN
COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)cc1COc1cc(C)c(Cl)cc1C(C)C	ZINC000020035998	553667697	/nfs/dbraw/zinc/66/76/97/553667697.db2.gz	HTJGFXUFUKDFDD-UKTHLTGXSA-N	0	1	501.022	8.114	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1OCC	ZINC000020518393	553668762	/nfs/dbraw/zinc/66/87/62/553668762.db2.gz	YNNHJFSZFGATNL-NGOKVRLYSA-N	0	1	536.669	5.118	50	30		KKEAMN
CCCc1cc(N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n2c3ccccc3nc2c1C#N	ZINC000020065580	553675527	/nfs/dbraw/zinc/67/55/27/553675527.db2.gz	BBNARRIJHYYRHM-WJOKGBTCSA-N	0	1	520.080	6.877	50	30		KKEAMN
Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1CCC(C)C	ZINC000096021483	553717458	/nfs/dbraw/zinc/71/74/58/553717458.db2.gz	HTINMQQOBCKGIQ-UHFFFAOYSA-N	0	1	571.769	7.184	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000096101694	553724297	/nfs/dbraw/zinc/72/42/97/553724297.db2.gz	JIOHXACECLISJQ-HSZRJFAPSA-N	0	1	524.415	5.103	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000096101681	553724312	/nfs/dbraw/zinc/72/43/12/553724312.db2.gz	CLNBSQSOEHLQRN-SANMLTNESA-N	0	1	501.627	5.638	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000096101682	553724377	/nfs/dbraw/zinc/72/43/77/553724377.db2.gz	CLNBSQSOEHLQRN-AREMUKBSSA-N	0	1	501.627	5.638	50	30		KKEAMN
C=C(C)COc1cccc([C@@H](CC(=O)OC)c2c3oc(-c4ccccc4)cc(O)c-3c(O)c(O)c2=O)c1	ZINC000096221023	553730175	/nfs/dbraw/zinc/73/01/75/553730175.db2.gz	FDFJCJXRVCZZGY-HXUWFJFHSA-N	0	1	502.519	5.227	50	30	biogenic	KKEAMN
CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097940010	553763331	/nfs/dbraw/zinc/76/33/31/553763331.db2.gz	NDCFZRYTJPPKGU-GDJIYFAZSA-N	0	1	590.654	5.744	50	30		KKEAMN
O=C(Cc1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1	ZINC000097945810	553774949	/nfs/dbraw/zinc/77/49/49/553774949.db2.gz	XIQMHGHIBKBPHS-IANOAQMISA-N	0	1	537.034	7.622	50	30		KKEAMN
COc1ccc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000097948794	553796910	/nfs/dbraw/zinc/79/69/10/553796910.db2.gz	PJKNVXLENSAYFX-ICACTRECSA-N	0	1	603.933	8.870	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000097948791	553796927	/nfs/dbraw/zinc/79/69/27/553796927.db2.gz	PJKNVXLENSAYFX-APYJYERMSA-N	0	1	603.933	8.870	50	30		KKEAMN
CC(C)(C)c1cc([C@@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc(C(C)(C)C)c1O	ZINC000097948970	553798216	/nfs/dbraw/zinc/79/82/16/553798216.db2.gz	JHRDMCPAFWRGOW-OHWKKVTOSA-N	0	1	622.806	9.402	50	30		KKEAMN
COc1ccc2nc(SCC(=O)N3c4ccccc4N=C4C[C@@H](c5ccc(F)cc5)CC(=O)C4[C@H]3c3cccc(OC)c3)[nH]c2c1	ZINC000097949048	553798952	/nfs/dbraw/zinc/79/89/52/553798952.db2.gz	RAZUVYCVHDHFDU-JEHQLEFQSA-N	0	1	634.733	7.412	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3OCC)C2)[C@@H]1c1ccc(OC)cc1	ZINC000097949807	553803100	/nfs/dbraw/zinc/80/31/00/553803100.db2.gz	LLJDPDHFBANEHH-ZWVRTZEQSA-N	0	1	538.688	7.575	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1	ZINC000097951493	553809374	/nfs/dbraw/zinc/80/93/74/553809374.db2.gz	DOEPIZPLUQLUHU-JGCGQSQUSA-N	0	1	531.781	9.363	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000097951802	553811407	/nfs/dbraw/zinc/81/14/07/553811407.db2.gz	JJVBZKLWXFZYSF-NRFANRHFSA-N	0	1	521.938	5.649	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000097952169	553813415	/nfs/dbraw/zinc/81/34/15/553813415.db2.gz	MYLQSHIWHGURCM-JOCHJYFZSA-N	0	1	519.966	6.203	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000097952219	553814234	/nfs/dbraw/zinc/81/42/34/553814234.db2.gz	UXHWWQAFAIWGKL-MUUNZHRXSA-N	0	1	542.035	6.093	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000097952317	553814731	/nfs/dbraw/zinc/81/47/31/553814731.db2.gz	PDENFBWSBBKVTQ-JOCHJYFZSA-N	0	1	537.410	6.543	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000097952322	553815210	/nfs/dbraw/zinc/81/52/10/553815210.db2.gz	CUSPUYMNXFOWGB-NDEPHWFRSA-N	0	1	535.556	5.656	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccnc2)nc1C	ZINC000097952572	553816669	/nfs/dbraw/zinc/81/66/69/553816669.db2.gz	CBLPFCZBWJSPQG-RUZDIDTESA-N	0	1	539.613	5.719	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000097952577	553816711	/nfs/dbraw/zinc/81/67/11/553816711.db2.gz	BLIWOHDKVXWZBL-SANMLTNESA-N	0	1	540.443	6.496	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000097953128	553819479	/nfs/dbraw/zinc/81/94/79/553819479.db2.gz	BSXFLBHOORMXDZ-MHZLTWQESA-N	0	1	533.577	5.407	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097954005	553820625	/nfs/dbraw/zinc/82/06/25/553820625.db2.gz	ZMDCQHHISBEVJV-DFXYEROKSA-N	0	1	532.596	5.763	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000097954113	553821227	/nfs/dbraw/zinc/82/12/27/553821227.db2.gz	CSGNTBDHMOTJSV-WKRVVKTRSA-N	0	1	531.608	6.623	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000097954149	553821693	/nfs/dbraw/zinc/82/16/93/553821693.db2.gz	MBAPXEGTLPWMMI-WRONEBCDSA-N	0	1	545.632	6.349	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097954503	553823493	/nfs/dbraw/zinc/82/34/93/553823493.db2.gz	CCOYEDSVCDXTJJ-UVDDSOTQSA-N	0	1	531.608	6.368	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000097955011	553827515	/nfs/dbraw/zinc/82/75/15/553827515.db2.gz	JPMUENKNBUIAFD-JBEBIEQOSA-N	0	1	543.557	5.319	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000097955078	553828399	/nfs/dbraw/zinc/82/83/99/553828399.db2.gz	JPMNYKVBWSIGRX-SANMLTNESA-N	0	1	622.696	5.760	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCC=C)c(OCC)c2)nc1C	ZINC000097955208	553829865	/nfs/dbraw/zinc/82/98/65/553829865.db2.gz	GHQMOSNRYCYSES-SANMLTNESA-N	0	1	618.664	5.312	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097955251	553830234	/nfs/dbraw/zinc/83/02/34/553830234.db2.gz	FVPXETVHVVYOPQ-JIYROHSKSA-N	0	1	569.698	6.799	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000097955283	553830565	/nfs/dbraw/zinc/83/05/65/553830565.db2.gz	CLJYVZNARKAVQD-BSEYFRJRSA-N	0	1	533.005	6.065	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000097955281	553830616	/nfs/dbraw/zinc/83/06/16/553830616.db2.gz	CLJYVZNARKAVQD-JBEBIEQOSA-N	0	1	533.005	6.065	50	30		KKEAMN
CCCCN(CCCC)CN1c2ccccc2/C(=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)C1=O	ZINC000027527876	553830968	/nfs/dbraw/zinc/83/09/68/553830968.db2.gz	ZYGIIWBVDXBHDB-WWIWEHRJSA-N	0	1	530.672	7.812	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000097955611	553831979	/nfs/dbraw/zinc/83/19/79/553831979.db2.gz	RMWCCLOOBRJDTN-KCWXNJEJSA-N	0	1	535.600	5.667	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc(Br)c1O	ZINC000097955646	553832374	/nfs/dbraw/zinc/83/23/74/553832374.db2.gz	KHFKIBALSXSCIY-MYYSRTQBSA-N	0	1	550.405	5.265	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc(Br)c1O	ZINC000097955644	553832537	/nfs/dbraw/zinc/83/25/37/553832537.db2.gz	KHFKIBALSXSCIY-OYLFLEFRSA-N	0	1	550.405	5.265	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1	ZINC000097955638	553832553	/nfs/dbraw/zinc/83/25/53/553832553.db2.gz	MFISSRQSOXHHDR-ZAMGYDSWSA-N	0	1	520.969	6.195	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000097955641	553832582	/nfs/dbraw/zinc/83/25/82/553832582.db2.gz	XLCWGWZAAIEWAZ-JBEBIEQOSA-N	0	1	533.005	6.065	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2F)nc1C	ZINC000097955740	553833534	/nfs/dbraw/zinc/83/35/34/553833534.db2.gz	UPOYRDYLGPRMFH-JLCFBVMHSA-N	0	1	534.565	5.040	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097955742	553833553	/nfs/dbraw/zinc/83/35/53/553833553.db2.gz	UVVKOCZHHIHNEV-JCQPUDPBSA-N	0	1	520.969	6.195	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2F)nc1C	ZINC000097955741	553833596	/nfs/dbraw/zinc/83/35/96/553833596.db2.gz	UPOYRDYLGPRMFH-PEBXRYMYSA-N	0	1	534.565	5.040	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000097955743	553833645	/nfs/dbraw/zinc/83/36/45/553833645.db2.gz	UVVKOCZHHIHNEV-ZAMGYDSWSA-N	0	1	520.969	6.195	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000097956783	553841864	/nfs/dbraw/zinc/84/18/64/553841864.db2.gz	NTXBNJNJSYHNIM-VWLOTQADSA-N	0	1	570.623	6.130	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC=C)c(C)c3)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000097956877	553842966	/nfs/dbraw/zinc/84/29/66/553842966.db2.gz	DTELDXNDMWEIEO-HSZRJFAPSA-N	0	1	565.047	6.104	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC=C)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000097956886	553842972	/nfs/dbraw/zinc/84/29/72/553842972.db2.gz	VAPMJTSSWBEJHV-VWLOTQADSA-N	0	1	574.655	5.849	50	30		KKEAMN
O=C(Nc1cccc2ccccc21)c1ccc(/N=C/c2cc(I)cc(I)c2O)cc1	ZINC000097958700	553857054	/nfs/dbraw/zinc/85/70/54/553857054.db2.gz	TXSISHNRTZAXPJ-MZJWZYIUSA-N	0	1	618.212	6.758	50	30		KKEAMN
Cc1c(/N=C/c2cc(I)cc(I)c2O)cccc1-c1nc2ccccc2o1	ZINC000097958981	553859385	/nfs/dbraw/zinc/85/93/85/553859385.db2.gz	BLUZTELMABAKOW-BHGWPJFGSA-N	0	1	580.163	6.469	50	30		KKEAMN
F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C=NNc2ncnc3nc[nH]c32)cc1OC(F)(F)[C@H](F)C(F)(F)F	ZINC000097965326	553904159	/nfs/dbraw/zinc/90/41/59/553904159.db2.gz	LZDKHMCNTBMNCF-UPGLVFKPSA-N	0	1	570.294	5.543	50	30		KKEAMN
CN1CCc2c(sc(/N=C/c3cc(I)cc(I)c3O)c2C(=O)OC(C)(C)C)C1	ZINC000097966340	553908447	/nfs/dbraw/zinc/90/84/47/553908447.db2.gz	KEBVSQSXNANUBB-NUGSKGIGSA-N	0	1	624.282	5.357	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1	ZINC000097966863	553911146	/nfs/dbraw/zinc/91/11/46/553911146.db2.gz	LINCXWRYHTXPFC-PMERELPUSA-N	0	1	600.613	9.648	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000097966897	553911429	/nfs/dbraw/zinc/91/14/29/553911429.db2.gz	DGXCQHQFGBQNHU-DHUJRADRSA-N	0	1	618.730	6.667	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cc1C	ZINC000097966918	553911937	/nfs/dbraw/zinc/91/19/37/553911937.db2.gz	GGSZPINMMQFCSU-AREMUKBSSA-N	0	1	571.512	5.237	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O	ZINC000097967002	553912678	/nfs/dbraw/zinc/91/26/78/553912678.db2.gz	RFLZQIAGGXAJIO-HHHXNRCGSA-N	0	1	614.676	6.013	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)ccc1OCC(C)C	ZINC000097967047	553913016	/nfs/dbraw/zinc/91/30/16/553913016.db2.gz	LSQRGCCOAXAQCM-SANMLTNESA-N	0	1	571.512	5.093	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000097967176	553914795	/nfs/dbraw/zinc/91/47/95/553914795.db2.gz	MRGHJOHWWRPMKP-MGBGTMOVSA-N	0	1	672.759	8.257	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1OCC	ZINC000097967202	553915311	/nfs/dbraw/zinc/91/53/11/553915311.db2.gz	PFNXADBMZQSIJS-GTYOFVGBSA-N	0	1	592.733	5.278	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1	ZINC000097967242	553915756	/nfs/dbraw/zinc/91/57/56/553915756.db2.gz	OWCZTBZZPCETNO-PMERELPUSA-N	0	1	606.656	7.041	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O	ZINC000097967255	553915894	/nfs/dbraw/zinc/91/58/94/553915894.db2.gz	NVOBFLMRNJRDTH-HHHXNRCGSA-N	0	1	614.676	6.013	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC	ZINC000097967269	553916374	/nfs/dbraw/zinc/91/63/74/553916374.db2.gz	JFIHGISKMZVRQQ-GDLZYMKVSA-N	0	1	635.138	7.472	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097967266	553916394	/nfs/dbraw/zinc/91/63/94/553916394.db2.gz	UCUBHESGQFBZIC-QUGAMOGWSA-N	0	1	620.152	6.989	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)s2)cc1	ZINC000097967310	553916682	/nfs/dbraw/zinc/91/66/82/553916682.db2.gz	DZENTNQWFCVRFB-HEIROHQZSA-N	0	1	661.805	7.824	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097967344	553917158	/nfs/dbraw/zinc/91/71/58/553917158.db2.gz	DFEOEXJTMFPHGM-KCWXNJEJSA-N	0	1	627.788	7.424	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000097967341	553917246	/nfs/dbraw/zinc/91/72/46/553917246.db2.gz	QFFHWUHQLOITMN-PMERELPUSA-N	0	1	654.741	6.872	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097967363	553917686	/nfs/dbraw/zinc/91/76/86/553917686.db2.gz	RXSXRMPGJGOMKV-WRHNGFHOSA-N	0	1	664.205	7.388	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000097967483	553918853	/nfs/dbraw/zinc/91/88/53/553918853.db2.gz	JPOXTEIXQAKOMZ-IIMAJNMQSA-N	0	1	556.659	6.151	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000097967504	553919380	/nfs/dbraw/zinc/91/93/80/553919380.db2.gz	NBCMWMRHEFYBPT-HUBRWUETSA-N	0	1	707.874	8.668	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C	ZINC000097967521	553919762	/nfs/dbraw/zinc/91/97/62/553919762.db2.gz	UPIFVRZCAYIMPN-AOXBRHMESA-N	0	1	721.901	8.914	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C	ZINC000097967522	553919798	/nfs/dbraw/zinc/91/97/98/553919798.db2.gz	UPIFVRZCAYIMPN-CGDLVVIGSA-N	0	1	721.901	8.914	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000097967516	553919803	/nfs/dbraw/zinc/91/98/03/553919803.db2.gz	CNEKSWZMLWGKAY-SSEXGKCCSA-N	0	1	572.617	10.053	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097967606	553920492	/nfs/dbraw/zinc/92/04/92/553920492.db2.gz	YFLJRCRWEHLJFX-ACSYHNTCSA-N	0	1	645.778	7.501	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097967602	553920587	/nfs/dbraw/zinc/92/05/87/553920587.db2.gz	UBDJPFNAJVDIDI-ACSYHNTCSA-N	0	1	662.233	8.015	50	30		KKEAMN
Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000033293964	553920737	/nfs/dbraw/zinc/92/07/37/553920737.db2.gz	GACPBRFYLUPENN-PDGQHHTCSA-N	0	1	504.612	5.717	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C	ZINC000097967618	553920944	/nfs/dbraw/zinc/92/09/44/553920944.db2.gz	MSGYGRNGFPCIAK-GTJPDFRWSA-N	0	1	629.485	5.211	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000097967655	553921400	/nfs/dbraw/zinc/92/14/00/553921400.db2.gz	LZRYSKVQLKYAJP-DWXRJYCRSA-N	0	1	585.707	6.254	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C	ZINC000097967686	553921849	/nfs/dbraw/zinc/92/18/49/553921849.db2.gz	WSXWKYRSCBLMHF-JIYROHSKSA-N	0	1	685.868	8.069	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccnc2)nc1C	ZINC000097967769	553923043	/nfs/dbraw/zinc/92/30/43/553923043.db2.gz	FTASXGOZOJOBOQ-XMMPIXPASA-N	0	1	555.612	5.303	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C	ZINC000097967823	553923647	/nfs/dbraw/zinc/92/36/47/553923647.db2.gz	TYNPTQDHOILHJX-SSEXGKCCSA-N	0	1	691.803	7.347	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000097967849	553924119	/nfs/dbraw/zinc/92/41/19/553924119.db2.gz	VUOHDBJGJHSMNN-RBSBEOHCSA-N	0	1	712.677	8.431	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097967895	553924942	/nfs/dbraw/zinc/92/49/42/553924942.db2.gz	GWXTVVNYTLHPRU-SANMLTNESA-N	0	1	668.580	7.256	50	30		KKEAMN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000097967914	553924987	/nfs/dbraw/zinc/92/49/87/553924987.db2.gz	MJACMWCNKSALDP-SANMLTNESA-N	0	1	654.597	7.815	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097967939	553925472	/nfs/dbraw/zinc/92/54/72/553925472.db2.gz	AOBHFDSGMBLJGL-NDEPHWFRSA-N	0	1	647.750	6.949	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000097968021	553926677	/nfs/dbraw/zinc/92/66/77/553926677.db2.gz	LZIYXHLXQALPHM-SSEXGKCCSA-N	0	1	649.750	6.964	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097968047	553927151	/nfs/dbraw/zinc/92/71/51/553927151.db2.gz	AQAXVAHUTIQKJC-LJAQVGFWSA-N	0	1	694.231	7.616	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC	ZINC000097968075	553927428	/nfs/dbraw/zinc/92/74/28/553927428.db2.gz	SFGQTMNXTYLUAO-SANMLTNESA-N	0	1	592.670	5.786	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097968110	553927990	/nfs/dbraw/zinc/92/79/90/553927990.db2.gz	WHKFJHXJUSXTKU-PMERELPUSA-N	0	1	651.766	7.327	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097968133	553927996	/nfs/dbraw/zinc/92/79/96/553927996.db2.gz	PEUOMTJWLVRVPL-SANMLTNESA-N	0	1	599.690	5.949	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097968188	553928632	/nfs/dbraw/zinc/92/86/32/553928632.db2.gz	YCVIAAHSRVAXCP-SSEXGKCCSA-N	0	1	649.750	7.103	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)s2)cc1	ZINC000097968193	553928683	/nfs/dbraw/zinc/92/86/83/553928683.db2.gz	KDUXCQLNFPCQDX-DEOSSOPVSA-N	0	1	592.098	6.346	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097968217	553929172	/nfs/dbraw/zinc/92/91/72/553929172.db2.gz	RPTUOCPKZWPEEX-NDEPHWFRSA-N	0	1	698.650	8.260	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097968248	553929639	/nfs/dbraw/zinc/92/96/39/553929639.db2.gz	AFARTXWHXQXXBD-RUZDIDTESA-N	0	1	605.669	5.922	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097968255	553929660	/nfs/dbraw/zinc/92/96/60/553929660.db2.gz	BUYXYRYKBAOYBW-MHZLTWQESA-N	0	1	633.723	6.703	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000097968322	553930289	/nfs/dbraw/zinc/93/02/89/553930289.db2.gz	STUACRWXCGLULW-VKGTZQKMSA-N	0	1	634.751	6.702	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C	ZINC000097968334	553930724	/nfs/dbraw/zinc/93/07/24/553930724.db2.gz	XFPJLLJNVZNYBO-MHZLTWQESA-N	0	1	606.697	6.032	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1	ZINC000033354693	553930851	/nfs/dbraw/zinc/93/08/51/553930851.db2.gz	KTDIKEKGDOVVHM-IJAHGLKVSA-N	0	1	619.161	8.639	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000097968376	553931173	/nfs/dbraw/zinc/93/11/73/553931173.db2.gz	WJOFJUSIWLHHAV-QTEAWJPNSA-N	0	1	726.704	8.821	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1	ZINC000097968377	553931193	/nfs/dbraw/zinc/93/11/93/553931193.db2.gz	NMRUTGQHEPNSQZ-RUZDIDTESA-N	0	1	562.644	5.777	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000097968385	553931901	/nfs/dbraw/zinc/93/19/01/553931901.db2.gz	KICWYYPJCWGRMX-HSZRJFAPSA-N	0	1	612.516	6.691	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000097968392	553932017	/nfs/dbraw/zinc/93/20/17/553932017.db2.gz	ZFDHVNXXVPOGMI-JMQGSBJISA-N	0	1	609.704	7.229	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OC(C)C	ZINC000097968446	553932344	/nfs/dbraw/zinc/93/23/44/553932344.db2.gz	LCLRKFIIKFDANZ-SSEXGKCCSA-N	0	1	534.612	6.748	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(F)cc1	ZINC000097969026	553935827	/nfs/dbraw/zinc/93/58/27/553935827.db2.gz	UVBCXWLRVBVVKU-GDLZYMKVSA-N	0	1	544.623	5.014	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000097969164	553937550	/nfs/dbraw/zinc/93/75/50/553937550.db2.gz	VILAKKIEPVUFTC-NDEPHWFRSA-N	0	1	658.729	6.324	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097969194	553937814	/nfs/dbraw/zinc/93/78/14/553937814.db2.gz	NUSWFWKZBZNRLE-OLILMLBXSA-N	0	1	662.233	8.159	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097969244	553938206	/nfs/dbraw/zinc/93/82/06/553938206.db2.gz	SBZJIAGMQCPIMT-HMILPKGGSA-N	0	1	631.751	7.255	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000097969226	553938272	/nfs/dbraw/zinc/93/82/72/553938272.db2.gz	MBVPNRQPYLXGBK-HHHXNRCGSA-N	0	1	644.702	5.934	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000097969308	553939484	/nfs/dbraw/zinc/93/94/84/553939484.db2.gz	JSLHESFWNCGKAX-PMERELPUSA-N	0	1	567.594	5.807	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000097969332	553939584	/nfs/dbraw/zinc/93/95/84/553939584.db2.gz	DURRCBRGTBIONN-JBEBIEQOSA-N	0	1	577.456	6.174	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000097969331	553939650	/nfs/dbraw/zinc/93/96/50/553939650.db2.gz	DURRCBRGTBIONN-BSEYFRJRSA-N	0	1	577.456	6.174	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccncc2)ccc1O	ZINC000097969314	553939830	/nfs/dbraw/zinc/93/98/30/553939830.db2.gz	XZHHXIZGMPCJTB-SSEXGKCCSA-N	0	1	550.611	5.852	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097969357	553940069	/nfs/dbraw/zinc/94/00/69/553940069.db2.gz	QUSXHHOYRTUXTC-ACSYHNTCSA-N	0	1	662.233	8.015	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000097969393	553940334	/nfs/dbraw/zinc/94/03/34/553940334.db2.gz	NXKOVFJGOJPYMD-JPQMRUPTSA-N	0	1	569.698	6.655	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1	ZINC000097969422	553940825	/nfs/dbraw/zinc/94/08/25/553940825.db2.gz	LFVQFIBNKGWUIU-PGUFJCEWSA-N	0	1	618.730	6.667	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000097969576	553942641	/nfs/dbraw/zinc/94/26/41/553942641.db2.gz	VSJXUWWXBUDXBC-FYSMJZIKSA-N	0	1	559.644	6.076	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C	ZINC000097969610	553942903	/nfs/dbraw/zinc/94/29/03/553942903.db2.gz	GHLYONRGFSKFJU-HHHXNRCGSA-N	0	1	634.707	5.926	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC)c2)nc1C	ZINC000097969639	553943410	/nfs/dbraw/zinc/94/34/10/553943410.db2.gz	BSCVITUIORJHOX-XMMPIXPASA-N	0	1	576.627	5.137	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1	ZINC000097969711	553943750	/nfs/dbraw/zinc/94/37/50/553943750.db2.gz	OIBTWMBFKZFNCJ-WJOKGBTCSA-N	0	1	636.682	6.447	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097969747	553944081	/nfs/dbraw/zinc/94/40/81/553944081.db2.gz	YZODNSBQQHXSKD-HKBQPEDESA-N	0	1	571.670	6.247	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097969773	553944510	/nfs/dbraw/zinc/94/45/10/553944510.db2.gz	DISQCVSQOMEVOF-WRONEBCDSA-N	0	1	641.771	6.900	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097969776	553944633	/nfs/dbraw/zinc/94/46/33/553944633.db2.gz	DTZRQOHKMWMERM-MRDQGFSESA-N	0	1	603.697	6.475	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097969797	553944920	/nfs/dbraw/zinc/94/49/20/553944920.db2.gz	YHCBRCGWUKOMAX-ACSYHNTCSA-N	0	1	645.778	7.645	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097969826	553945623	/nfs/dbraw/zinc/94/56/23/553945623.db2.gz	OWHLHBIBEKTIQW-QUGAMOGWSA-N	0	1	620.152	6.989	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000097969929	553946924	/nfs/dbraw/zinc/94/69/24/553946924.db2.gz	RNNWUVCNSWVOAV-SHACYNPGSA-N	0	1	561.015	5.843	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000097969931	553947396	/nfs/dbraw/zinc/94/73/96/553947396.db2.gz	RNNWUVCNSWVOAV-LFPIHBKWSA-N	0	1	561.015	5.843	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1	ZINC000097969949	553947446	/nfs/dbraw/zinc/94/74/46/553947446.db2.gz	JAGFUGMDQSLALB-YTTGMZPUSA-N	0	1	650.709	6.837	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000097970017	553948158	/nfs/dbraw/zinc/94/81/58/553948158.db2.gz	WVGIFWNHSUAYPB-LJAQVGFWSA-N	0	1	640.714	6.482	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000097970009	553948252	/nfs/dbraw/zinc/94/82/52/553948252.db2.gz	XCXVNGFHBWUOPR-URAOTHONSA-N	0	1	655.798	7.209	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097970085	553948933	/nfs/dbraw/zinc/94/89/33/553948933.db2.gz	NTIWBJYMIOKGIL-CLYVBNDRSA-N	0	1	634.179	7.379	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000097970059	553948975	/nfs/dbraw/zinc/94/89/75/553948975.db2.gz	NNCXIDOEKGINQL-QYBDOPJKSA-N	0	1	613.717	6.032	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097970083	553949093	/nfs/dbraw/zinc/94/90/93/553949093.db2.gz	NTIWBJYMIOKGIL-MYUZEXMDSA-N	0	1	634.179	7.379	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097970249	553951592	/nfs/dbraw/zinc/95/15/92/553951592.db2.gz	MHLZOTAOWYRUMM-VKGTZQKMSA-N	0	1	631.751	7.255	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000097970288	553951961	/nfs/dbraw/zinc/95/19/61/553951961.db2.gz	QKPOOZSRHXJWID-SGANQWHYSA-N	0	1	668.580	7.030	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097970302	553951970	/nfs/dbraw/zinc/95/19/70/553951970.db2.gz	SLPZXFOCVZWNEF-AFJIDDCJSA-N	0	1	645.778	7.501	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000097970289	553952136	/nfs/dbraw/zinc/95/21/36/553952136.db2.gz	QKPOOZSRHXJWID-ODCWNRFASA-N	0	1	668.580	7.030	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC	ZINC000097970423	553953820	/nfs/dbraw/zinc/95/38/20/553953820.db2.gz	FBPLCFWUZIQWGS-DLUDVSRJSA-N	0	1	593.057	6.082	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C	ZINC000097970419	553953832	/nfs/dbraw/zinc/95/38/32/553953832.db2.gz	XUDSBENVHAIAHX-XMHCIUCPSA-N	0	1	641.496	5.377	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097970453	553954207	/nfs/dbraw/zinc/95/42/07/553954207.db2.gz	ZBRAWKBUSFEZJG-ICACTRECSA-N	0	1	663.821	8.269	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097970476	553954537	/nfs/dbraw/zinc/95/45/37/553954537.db2.gz	BZLPTEFJJCHWLY-WHLCRQNOSA-N	0	1	648.206	7.769	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097970484	553954583	/nfs/dbraw/zinc/95/45/83/553954583.db2.gz	VVDLXOGUDOGWEI-ROTAYESASA-N	0	1	647.778	7.655	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097970482	553954669	/nfs/dbraw/zinc/95/46/69/553954669.db2.gz	VVDLXOGUDOGWEI-UKPGIYTDSA-N	0	1	647.778	7.655	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000097970615	553956660	/nfs/dbraw/zinc/95/66/60/553956660.db2.gz	QOUZDBZMIDPHES-DNOBIOAJSA-N	0	1	620.724	6.312	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097970646	553957110	/nfs/dbraw/zinc/95/71/10/553957110.db2.gz	FPQWFEQPZUUKFO-AFJIDDCJSA-N	0	1	645.778	7.645	50	30		KKEAMN
Cc1ccc(-c2csc3ncnc(N=NCc4cc(Br)cc(Br)c4O)c23)cc1	ZINC000033358644	553957430	/nfs/dbraw/zinc/95/74/30/553957430.db2.gz	ACFRRCXROGWADM-ZNLRHDTNSA-N	0	1	518.234	6.343	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C	ZINC000097970733	553957811	/nfs/dbraw/zinc/95/78/11/553957811.db2.gz	SOYMKGATFRQZAA-DFXYEROKSA-N	0	1	556.659	6.007	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(N(C)C)cc1	ZINC000097970746	553958303	/nfs/dbraw/zinc/95/83/03/553958303.db2.gz	NSVDDOQDFUMKQT-YTTGMZPUSA-N	0	1	581.241	9.466	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000097971012	553960650	/nfs/dbraw/zinc/96/06/50/553960650.db2.gz	QSVVUXYLIFCXQN-PVAZPRTOSA-N	0	1	575.661	6.766	50	30		KKEAMN
CCCCCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc3c4c(cccc41)C(=O)N3)c1ccccc21	ZINC000097985247	554022132	/nfs/dbraw/zinc/02/21/32/554022132.db2.gz	HCYGROVMEQPMFG-UHFFFAOYSA-N	0	1	570.667	7.541	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1	ZINC000097999809	554046179	/nfs/dbraw/zinc/04/61/79/554046179.db2.gz	PJFQQNJBNZRYTK-WZPDBAAASA-N	0	1	623.149	8.247	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1	ZINC000097999835	554046185	/nfs/dbraw/zinc/04/61/85/554046185.db2.gz	FQAVNYLSQUPLDZ-VWLRAHFJSA-N	0	1	607.150	8.547	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1	ZINC000098003661	554055661	/nfs/dbraw/zinc/05/56/61/554055661.db2.gz	GJXYXYIKCCJUQX-ZWVRTZEQSA-N	0	1	681.538	9.434	50	30		KKEAMN
CCCCCC(=O)Oc1cccc([C@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)CCCCC)c1	ZINC000098003662	554055716	/nfs/dbraw/zinc/05/57/16/554055716.db2.gz	ZHVBDCYYEBXFPA-AYAMJOBCSA-N	0	1	613.198	9.307	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccc(Cl)cc4)C3)[C@@H]2c2ccc(F)cc2)cc(OC)c1OC	ZINC000098003646	554055724	/nfs/dbraw/zinc/05/57/24/554055724.db2.gz	JHUWBRMIAWMIAU-NBLPZQPVSA-N	0	1	613.085	7.719	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccc(Cl)cc4)C3)[C@@H]2c2ccc(F)cc2)cc(OC)c1OC	ZINC000098003648	554055758	/nfs/dbraw/zinc/05/57/58/554055758.db2.gz	JHUWBRMIAWMIAU-KATKFWMUSA-N	0	1	613.085	7.719	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)C3)[C@H]2c2ccc(F)cc2)cc(OC)c1OC	ZINC000098003668	554055836	/nfs/dbraw/zinc/05/58/36/554055836.db2.gz	BGHHKUPZFVNSFJ-BWXVZPLGSA-N	0	1	634.748	8.363	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]3c2cccs2)cc1	ZINC000098042802	554122406	/nfs/dbraw/zinc/12/24/06/554122406.db2.gz	XOIXFHGRDIXCQX-KEEVHDRGSA-N	0	1	575.517	8.278	50	30		KKEAMN
CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2CC(=O)NC2CCCCC2)cc1	ZINC000098042813	554122593	/nfs/dbraw/zinc/12/25/93/554122593.db2.gz	BFBSUMKWSYRBDG-XKWLHOGNSA-N	0	1	566.746	6.949	50	30		KKEAMN
C=CCOc1c(I)cc([C@H]2[NH+]=C([O-])NC3=C2CCc2ccccc23)cc1I	ZINC000098045184	554131219	/nfs/dbraw/zinc/13/12/19/554131219.db2.gz	DJQLTTZNGFSUJM-GOSISDBHSA-N	0	1	584.195	5.172	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000098045522	554132213	/nfs/dbraw/zinc/13/22/13/554132213.db2.gz	CPFRJNPYFNWWPH-UVDDSOTQSA-N	0	1	550.596	8.325	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000098045760	554133816	/nfs/dbraw/zinc/13/38/16/554133816.db2.gz	SRZCALKBJAUAFX-YTTGMZPUSA-N	0	1	563.650	6.981	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000098046331	554137921	/nfs/dbraw/zinc/13/79/21/554137921.db2.gz	CMVJBPCETGTBFN-NRFANRHFSA-N	0	1	541.025	5.772	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCC)cc3C)[C@H]2c2ccccc2F)nc1C	ZINC000098046326	554138042	/nfs/dbraw/zinc/13/80/42/554138042.db2.gz	WKRRQPASHAIKMB-HSZRJFAPSA-N	0	1	550.608	5.814	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000098046426	554138929	/nfs/dbraw/zinc/13/89/29/554138929.db2.gz	VQZFPVPHVPKXRV-RUZDIDTESA-N	0	1	654.583	7.694	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000098046482	554139357	/nfs/dbraw/zinc/13/93/57/554139357.db2.gz	IHWKUBJZFXGOBQ-RUZDIDTESA-N	0	1	654.583	7.694	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccccc2F)cc1	ZINC000098046466	554139486	/nfs/dbraw/zinc/13/94/86/554139486.db2.gz	IZBHNXDZMVVQEM-RUZDIDTESA-N	0	1	610.132	7.585	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000098046462	554139492	/nfs/dbraw/zinc/13/94/92/554139492.db2.gz	AEMDFLKQVKZIHP-RUZDIDTESA-N	0	1	626.587	8.099	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000098046527	554140270	/nfs/dbraw/zinc/14/02/70/554140270.db2.gz	BVWZVJZTHHOMGK-RUZDIDTESA-N	0	1	569.664	6.677	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F	ZINC000098046514	554140374	/nfs/dbraw/zinc/14/03/74/554140374.db2.gz	MUWOEAFZDYTSRQ-MGBGTMOVSA-N	0	1	689.790	8.493	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000098046612	554141658	/nfs/dbraw/zinc/14/16/58/554141658.db2.gz	DYQYLAWTNSIDDT-RUZDIDTESA-N	0	1	563.031	6.293	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000098046661	554141998	/nfs/dbraw/zinc/14/19/98/554141998.db2.gz	OMQBYGWVLXTHBT-OAQYLSRUSA-N	0	1	551.577	5.108	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4cccc(OC)c4o3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000098046642	554142054	/nfs/dbraw/zinc/14/20/54/554142054.db2.gz	AVNKWCGFJKKTJX-IBGZPJMESA-N	0	1	538.965	5.429	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccs2)nc1C	ZINC000098046690	554142349	/nfs/dbraw/zinc/14/23/49/554142349.db2.gz	RCOGPTVTOVZDRR-QHCPKHFHSA-N	0	1	560.653	5.970	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3cccs3)cc2)c1	ZINC000098046693	554142377	/nfs/dbraw/zinc/14/23/77/554142377.db2.gz	BNOGQYXQNXVPLQ-WJOKGBTCSA-N	0	1	661.830	8.715	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccs3)cc2)c1	ZINC000098046692	554142454	/nfs/dbraw/zinc/14/24/54/554142454.db2.gz	DJYYNCKXJGUTJD-MHZLTWQESA-N	0	1	629.760	7.701	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc(Br)c2)s1	ZINC000098046678	554142477	/nfs/dbraw/zinc/14/24/77/554142477.db2.gz	XRRNHWWTPCOJSK-DEOSSOPVSA-N	0	1	576.472	6.279	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000098046710	554142813	/nfs/dbraw/zinc/14/28/13/554142813.db2.gz	WWKZJINWBZLDOU-QHCPKHFHSA-N	0	1	577.615	5.664	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(O)cc2)nc1C	ZINC000098046696	554142843	/nfs/dbraw/zinc/14/28/43/554142843.db2.gz	OYZOXOGNEPPRDN-VWLOTQADSA-N	0	1	570.623	5.614	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H]1c1cccnc1)c1ccccc1	ZINC000098046840	554144045	/nfs/dbraw/zinc/14/40/45/554144045.db2.gz	MLMHKXOYPYJJHZ-HXUWFJFHSA-N	0	1	521.023	5.662	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccnc3)s2)cc1	ZINC000098046838	554144212	/nfs/dbraw/zinc/14/42/12/554144212.db2.gz	OYVCLBXXSYSBLJ-OAQYLSRUSA-N	0	1	535.050	5.970	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1OC	ZINC000098047247	554148381	/nfs/dbraw/zinc/14/83/81/554148381.db2.gz	ARVLTWLEXPPMFW-GDLZYMKVSA-N	0	1	536.584	5.456	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F	ZINC000098047253	554148435	/nfs/dbraw/zinc/14/84/35/554148435.db2.gz	IMLLLAVAQCDYJE-GDLZYMKVSA-N	0	1	639.730	7.862	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC	ZINC000098047289	554148875	/nfs/dbraw/zinc/14/88/75/554148875.db2.gz	WRAWZMZYHBOSSO-XMMPIXPASA-N	0	1	550.633	5.633	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C	ZINC000098047297	554148903	/nfs/dbraw/zinc/14/89/03/554148903.db2.gz	BYOCFQJZYXEORY-AREMUKBSSA-N	0	1	613.648	6.207	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000098047348	554149549	/nfs/dbraw/zinc/14/95/49/554149549.db2.gz	IWYXEXXMJVOLMG-HHHXNRCGSA-N	0	1	635.739	6.949	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccccc2)cc1	ZINC000098047358	554149586	/nfs/dbraw/zinc/14/95/86/554149586.db2.gz	UNYOAPIRAMTDHG-RUZDIDTESA-N	0	1	592.142	7.446	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000098047343	554149629	/nfs/dbraw/zinc/14/96/29/554149629.db2.gz	HHMGKYGEMDCBEW-VWLOTQADSA-N	0	1	610.132	7.585	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000098047335	554149642	/nfs/dbraw/zinc/14/96/42/554149642.db2.gz	LPPNHSXCTDHGLS-MHZLTWQESA-N	0	1	619.740	7.330	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccnc2)cc1	ZINC000098047370	554150134	/nfs/dbraw/zinc/15/01/34/554150134.db2.gz	OGRGTXCZMUMUGJ-XMMPIXPASA-N	0	1	558.685	6.187	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCCCC)cc2)cc1	ZINC000098047413	554150328	/nfs/dbraw/zinc/15/03/28/554150328.db2.gz	DUGGPUPFOLCMKR-LJAQVGFWSA-N	0	1	629.804	7.971	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000098047465	554151365	/nfs/dbraw/zinc/15/13/65/554151365.db2.gz	MVBFEUCFTAAZFD-SANMLTNESA-N	0	1	650.178	7.232	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000098047505	554151726	/nfs/dbraw/zinc/15/17/26/554151726.db2.gz	LALRWFWYSDVUDO-AREMUKBSSA-N	0	1	633.723	6.718	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000098047495	554151791	/nfs/dbraw/zinc/15/17/91/554151791.db2.gz	RJVHVTHLZURKSH-JGCGQSQUSA-N	0	1	681.811	8.510	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000098047492	554151849	/nfs/dbraw/zinc/15/18/49/554151849.db2.gz	QLOYZZBRQPVIPV-QHCPKHFHSA-N	0	1	578.643	5.377	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000098047532	554152221	/nfs/dbraw/zinc/15/22/21/554152221.db2.gz	WFEWIGAQXGEMOE-JGCGQSQUSA-N	0	1	722.329	9.413	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000098047574	554152944	/nfs/dbraw/zinc/15/29/44/554152944.db2.gz	SCKZASBDWDHFBZ-YTTGMZPUSA-N	0	1	705.874	8.899	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000098047618	554153432	/nfs/dbraw/zinc/15/34/32/554153432.db2.gz	CWWPAMMHLNCKLT-YTTGMZPUSA-N	0	1	687.884	8.534	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2cccc(F)c2)cc1	ZINC000098047612	554153478	/nfs/dbraw/zinc/15/34/78/554153478.db2.gz	AUKANFMTPMIJNM-SANMLTNESA-N	0	1	589.714	7.240	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000098047621	554153647	/nfs/dbraw/zinc/15/36/47/554153647.db2.gz	XGXXOSMWJBCIPP-MUUNZHRXSA-N	0	1	631.776	7.118	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000098047649	554153876	/nfs/dbraw/zinc/15/38/76/554153876.db2.gz	ADCVKBMEEPUXPY-RUZDIDTESA-N	0	1	610.132	7.585	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cccc(F)c2)cc1	ZINC000098047630	554153941	/nfs/dbraw/zinc/15/39/41/554153941.db2.gz	DREFRSCOSXTRFW-VWLOTQADSA-N	0	1	593.677	7.070	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000098047639	554153949	/nfs/dbraw/zinc/15/39/49/554153949.db2.gz	IFZVUVWXDGRIHF-HHHXNRCGSA-N	0	1	665.765	6.957	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(Br)cc2)cc1Cl	ZINC000098047686	554154519	/nfs/dbraw/zinc/15/45/19/554154519.db2.gz	IWDVMCHFAOYJCV-QFIPXVFZSA-N	0	1	536.850	5.895	50	30		KKEAMN
Cc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047748	554155401	/nfs/dbraw/zinc/15/54/01/554155401.db2.gz	XXRCWPLVGDLVSB-MHZLTWQESA-N	0	1	581.694	7.522	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000098047763	554155779	/nfs/dbraw/zinc/15/57/79/554155779.db2.gz	XHZOAYXLHNQCDF-HHHXNRCGSA-N	0	1	640.699	6.692	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(Br)cc2)cc1OC	ZINC000098047765	554155790	/nfs/dbraw/zinc/15/57/90/554155790.db2.gz	YJCFYJJCCXHLKF-HHHXNRCGSA-N	0	1	674.598	7.546	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccccc2F)cc1OC	ZINC000098047782	554155893	/nfs/dbraw/zinc/15/58/93/554155893.db2.gz	NRXNXFCGBHZYBH-MHZLTWQESA-N	0	1	613.692	6.923	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC	ZINC000098047800	554156183	/nfs/dbraw/zinc/15/61/83/554156183.db2.gz	IZHKRGDXJZWTMQ-PMERELPUSA-N	0	1	669.781	7.191	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047790	554156202	/nfs/dbraw/zinc/15/62/02/554156202.db2.gz	HTICTZBGZVGKJP-PMERELPUSA-N	0	1	651.766	7.349	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047805	554156413	/nfs/dbraw/zinc/15/64/13/554156413.db2.gz	KDZNUHCWUKDEBP-MUUNZHRXSA-N	0	1	625.728	6.792	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C	ZINC000098047822	554156693	/nfs/dbraw/zinc/15/66/93/554156693.db2.gz	JXYNKOWAFQDIDE-YTTGMZPUSA-N	0	1	683.827	8.648	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(F)cc2)cc1F	ZINC000098047847	554156701	/nfs/dbraw/zinc/15/67/01/554156701.db2.gz	YUKGOENNJKUOSY-AREMUKBSSA-N	0	1	585.657	7.353	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C	ZINC000098047893	554157235	/nfs/dbraw/zinc/15/72/35/554157235.db2.gz	FEZYARZZXQBEKB-RUZDIDTESA-N	0	1	599.621	5.817	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000098048933	554162319	/nfs/dbraw/zinc/16/23/19/554162319.db2.gz	DEDPFPCMEVYSII-NDEPHWFRSA-N	0	1	662.818	8.207	50	30		KKEAMN
Cc1cccc2oc(-c3cccc(/N=C/c4cc(I)cc(I)c4O)c3)nc21	ZINC000100033584	554187344	/nfs/dbraw/zinc/18/73/44/554187344.db2.gz	WHCLUPSOIMYKGW-BHGWPJFGSA-N	0	1	580.163	6.469	50	30		KKEAMN
O=C(Nc1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000100052649	554194826	/nfs/dbraw/zinc/19/48/26/554194826.db2.gz	OYAWYPSJENPRNG-ADXZGYQBSA-N	0	1	544.438	8.193	50	30		KKEAMN
COc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000100052657	554194886	/nfs/dbraw/zinc/19/48/86/554194886.db2.gz	BKVJIUUTHQKBGC-KEEVHDRGSA-N	0	1	540.019	7.548	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)C2)cc1OC	ZINC000100110074	554221145	/nfs/dbraw/zinc/22/11/45/554221145.db2.gz	GMYVIMNYUQORLQ-QNMWZGEKSA-N	0	1	601.659	7.226	50	30		KKEAMN
CCCCCCCCCCCCCCCC(=O)NC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC	ZINC000038143157	554265372	/nfs/dbraw/zinc/26/53/72/554265372.db2.gz	GLZQVYDFXUECNY-XMMPIXPASA-O	0	1	509.689	5.439	50	30	in-vitro	KKEAMN
N#Cc1c2nc3ccccc3n2c(N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2c1CCCC2	ZINC000050704824	554327496	/nfs/dbraw/zinc/32/74/96/554327496.db2.gz	YRYWCTOMIUDDMV-WJOKGBTCSA-N	0	1	532.091	6.803	50	30		KKEAMN
CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000053290168	554331129	/nfs/dbraw/zinc/33/11/29/554331129.db2.gz	UZIDWSNWWMEQIF-JOCHJYFZSA-N	0	1	536.338	5.099	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000053306049	554333088	/nfs/dbraw/zinc/33/30/88/554333088.db2.gz	LBJBLJGVRHKYTR-XMMPIXPASA-N	0	1	559.556	5.157	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000053306048	554333201	/nfs/dbraw/zinc/33/32/01/554333201.db2.gz	LBJBLJGVRHKYTR-DEOSSOPVSA-N	0	1	559.556	5.157	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000053306121	554333275	/nfs/dbraw/zinc/33/32/75/554333275.db2.gz	JOQZPHZXOWDGNA-QFIPXVFZSA-N	0	1	535.965	6.040	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(Br)c2)nc1C	ZINC000053307807	554335463	/nfs/dbraw/zinc/33/54/63/554335463.db2.gz	RISMILBXXPONDH-FQEVSTJZSA-N	0	1	571.449	5.491	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000053319169	554336274	/nfs/dbraw/zinc/33/62/74/554336274.db2.gz	JEEJRBWSDIVTKI-NRFANRHFSA-N	0	1	521.938	5.649	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000053319174	554336663	/nfs/dbraw/zinc/33/66/63/554336663.db2.gz	YZZUGFSKWBIGIZ-SANMLTNESA-N	0	1	539.459	6.021	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000053319174	554336665	/nfs/dbraw/zinc/33/66/65/554336665.db2.gz	YZZUGFSKWBIGIZ-SANMLTNESA-N	0	1	539.459	6.021	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000053319264	554336745	/nfs/dbraw/zinc/33/67/45/554336745.db2.gz	GTMLXPDRDOIMPR-NRFANRHFSA-N	0	1	539.009	5.548	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Br)c1	ZINC000053319267	554336995	/nfs/dbraw/zinc/33/69/95/554336995.db2.gz	TUIKGVLMNFIXJR-MUUNZHRXSA-N	0	1	569.455	6.510	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1	ZINC000053319355	554337440	/nfs/dbraw/zinc/33/74/40/554337440.db2.gz	PNNVMCCZCLVCSN-AREMUKBSSA-N	0	1	530.964	6.007	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1	ZINC000053319354	554337611	/nfs/dbraw/zinc/33/76/11/554337611.db2.gz	PNNVMCCZCLVCSN-SANMLTNESA-N	0	1	530.964	6.007	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000053319403	554337919	/nfs/dbraw/zinc/33/79/19/554337919.db2.gz	LVLWDQYQRYTGAH-MQNRADLISA-N	0	1	557.584	5.710	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C	ZINC000053319468	554338280	/nfs/dbraw/zinc/33/82/80/554338280.db2.gz	LSZKZWFLTRCEGO-AREMUKBSSA-N	0	1	598.633	5.371	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000053332973	554339445	/nfs/dbraw/zinc/33/94/45/554339445.db2.gz	HODWVFUUNOQMTF-RUZDIDTESA-N	0	1	572.595	5.036	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000053332940	554339507	/nfs/dbraw/zinc/33/95/07/554339507.db2.gz	WECPHTCPZGNQCZ-JOCHJYFZSA-N	0	1	522.941	5.643	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000053332851	554339544	/nfs/dbraw/zinc/33/95/44/554339544.db2.gz	CTNKZZABOCLISV-QGZVFWFLSA-N	0	1	547.814	5.437	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000053335309	554341048	/nfs/dbraw/zinc/34/10/48/554341048.db2.gz	XEIZTVGACLRNCD-XMMPIXPASA-N	0	1	549.004	5.903	50	30		KKEAMN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000053335452	554341194	/nfs/dbraw/zinc/34/11/94/554341194.db2.gz	FRIAQUHPVYHLTD-JOCHJYFZSA-N	0	1	551.349	5.317	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1	ZINC000053336201	554341579	/nfs/dbraw/zinc/34/15/79/554341579.db2.gz	SKYDUIRPIPWPIR-DCFHFQCYSA-N	0	1	550.533	5.945	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000053336322	554341779	/nfs/dbraw/zinc/34/17/79/554341779.db2.gz	HIBCNFLGJVVLRW-HSZRJFAPSA-N	0	1	549.004	5.918	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1	ZINC000053339171	554343248	/nfs/dbraw/zinc/34/32/48/554343248.db2.gz	PNJOHYATWKXHHG-HKBQPEDESA-N	0	1	547.607	5.858	50	30		KKEAMN
O=C(Oc1cccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)c1)c1ccccc1	ZINC000053359665	554345286	/nfs/dbraw/zinc/34/52/86/554345286.db2.gz	ZTNFRNGDLBOXOS-WLFXDIPCSA-N	0	1	590.679	8.120	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccccc2)cc1	ZINC000100675285	554443350	/nfs/dbraw/zinc/44/33/50/554443350.db2.gz	JKRRAKCOZFODSC-DEOSSOPVSA-N	0	1	548.661	6.226	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2cccc(Br)c2)nc1C	ZINC000100677202	554444208	/nfs/dbraw/zinc/44/42/08/554444208.db2.gz	MMHQBFWGURWTBX-IBGZPJMESA-N	0	1	559.413	5.621	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1	ZINC000100677271	554444266	/nfs/dbraw/zinc/44/42/66/554444266.db2.gz	YYHOOJPYSFQXOZ-RUZDIDTESA-N	0	1	578.687	6.379	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000100678328	554444891	/nfs/dbraw/zinc/44/48/91/554444891.db2.gz	WNIWCNHPCHFSAU-HHHXNRCGSA-N	0	1	622.740	6.633	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC	ZINC000100677754	554444981	/nfs/dbraw/zinc/44/49/81/554444981.db2.gz	YRCLGOLPILCAQU-VWLOTQADSA-N	0	1	596.677	6.436	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000100679384	554445272	/nfs/dbraw/zinc/44/52/72/554445272.db2.gz	RECMOFRKXWMAEW-JOCHJYFZSA-N	0	1	589.497	6.897	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000100680380	554446483	/nfs/dbraw/zinc/44/64/83/554446483.db2.gz	APGGWDQYHBHVIS-RUZDIDTESA-N	0	1	622.696	5.782	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000100680408	554446774	/nfs/dbraw/zinc/44/67/74/554446774.db2.gz	PLBUWKQJWBYOHP-LJAQVGFWSA-N	0	1	624.715	7.548	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000100681073	554447172	/nfs/dbraw/zinc/44/71/72/554447172.db2.gz	KCDLQCHQRNMSTG-QHCPKHFHSA-N	0	1	596.658	5.226	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000100681093	554447210	/nfs/dbraw/zinc/44/72/10/554447210.db2.gz	JKYHNCRWTDENEE-NRFANRHFSA-N	0	1	575.470	6.507	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C	ZINC000100681013	554447250	/nfs/dbraw/zinc/44/72/50/554447250.db2.gz	OXDAVLPYEBQXQV-NDEPHWFRSA-N	0	1	634.751	6.944	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000100681133	554447526	/nfs/dbraw/zinc/44/75/26/554447526.db2.gz	CIZFQEYZUKVSNA-OAQYLSRUSA-N	0	1	585.476	5.962	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1	ZINC000100681128	554447584	/nfs/dbraw/zinc/44/75/84/554447584.db2.gz	WIIOGEVQCWZQFF-SANMLTNESA-N	0	1	592.714	6.769	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C	ZINC000100897804	554514112	/nfs/dbraw/zinc/51/41/12/554514112.db2.gz	FDOREGMMNLPNNE-WRONEBCDSA-N	0	1	542.632	5.617	50	30		KKEAMN
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(C)cc5)s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)oc21	ZINC000100953579	554538087	/nfs/dbraw/zinc/53/80/87/554538087.db2.gz	ASYFLPQGLFQAJH-XMMPIXPASA-N	0	1	614.661	6.585	50	30		KKEAMN
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(C)cc5)s4)[C@H]3c3ccc([N+](=O)[O-])cc3)oc21	ZINC000100953582	554538123	/nfs/dbraw/zinc/53/81/23/554538123.db2.gz	ASYFLPQGLFQAJH-DEOSSOPVSA-N	0	1	614.661	6.585	50	30		KKEAMN
O=C(Nc1cc(Nc2ccccc2/N=C/c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	ZINC000101000646	554552313	/nfs/dbraw/zinc/55/23/13/554552313.db2.gz	MTBSVFHWUPTIOE-JVWAILMASA-N	0	1	526.465	6.158	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccc(Br)cc1)c1ccc(Br)cc1	ZINC000101069765	554574099	/nfs/dbraw/zinc/57/40/99/554574099.db2.gz	VABWKHBTQRJDEN-WOOAAIBNSA-N	0	1	593.069	5.995	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000101069844	554574357	/nfs/dbraw/zinc/57/43/57/554574357.db2.gz	FOYREWVESLLDKG-YDJIHCHBSA-N	0	1	558.182	5.746	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000101072869	554576451	/nfs/dbraw/zinc/57/64/51/554576451.db2.gz	HHBGQWIECMFSEY-NHFXJNLRSA-N	0	1	509.356	5.824	50	30		KKEAMN
O=C(Nc1cccc(C(F)(F)F)c1)C(N=Nc1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000101079684	554578545	/nfs/dbraw/zinc/57/85/45/554578545.db2.gz	SQVUVIZJACSNDE-UHFFFAOYSA-N	0	1	573.291	6.532	50	30		KKEAMN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Br)c2)sc1C	ZINC000101100199	554586779	/nfs/dbraw/zinc/58/67/79/554586779.db2.gz	FIMYYOISEQLWDA-SELCWUDQSA-N	0	1	503.805	5.802	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)o1	ZINC000101100227	554587150	/nfs/dbraw/zinc/58/71/50/554587150.db2.gz	KZFIELPOPURQBO-WOOAAIBNSA-N	0	1	513.344	5.726	50	30		KKEAMN
O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(Br)c1	ZINC000101101552	554638794	/nfs/dbraw/zinc/63/87/94/554638794.db2.gz	LDIZEPZCYOWGRB-GHNGSUTGSA-N	0	1	515.385	5.886	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2Cl)nc1C	ZINC000101276739	554702888	/nfs/dbraw/zinc/70/28/88/554702888.db2.gz	BJWROTHVTQRQNC-JBCNATCCSA-N	0	1	573.454	6.044	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OCC)cc2)nc1C	ZINC000101278095	554704489	/nfs/dbraw/zinc/70/44/89/554704489.db2.gz	BGFFMNSOLRWJSP-WGGXKBPPSA-N	0	1	624.715	6.707	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)cc2)nc1C	ZINC000101278041	554704578	/nfs/dbraw/zinc/70/45/78/554704578.db2.gz	KCIPDPATWKRDNT-UUALVTFQSA-N	0	1	596.661	6.014	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000101294532	554711285	/nfs/dbraw/zinc/71/12/85/554711285.db2.gz	RGNUDEGGICXRNL-HOGKFDNTSA-N	0	1	504.589	5.558	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000101316855	554723811	/nfs/dbraw/zinc/72/38/11/554723811.db2.gz	PPUMWZZHRBONIC-FZIYRNTBSA-N	0	1	615.708	6.484	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000101316899	554724133	/nfs/dbraw/zinc/72/41/33/554724133.db2.gz	PXEHBELKMCGSNM-CJJGVWJISA-N	0	1	599.690	5.793	50	30		KKEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000101316888	554724161	/nfs/dbraw/zinc/72/41/61/554724161.db2.gz	OXKIEFSDSZCXRX-JLPDLQRYSA-N	0	1	597.718	6.345	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(N(C)C)cc2)cc1F	ZINC000101338208	554734780	/nfs/dbraw/zinc/73/47/80/554734780.db2.gz	AVUWZWUCBUYJMI-XMMPIXPASA-N	0	1	595.121	6.780	50	30		KKEAMN
N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@@H](c1ccc(Cl)cc1)N1CCCC1	ZINC000101361294	554742768	/nfs/dbraw/zinc/74/27/68/554742768.db2.gz	OMALFAHZZSXWKW-MHZLTWQESA-N	0	1	533.459	7.348	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000102076439	554874656	/nfs/dbraw/zinc/87/46/56/554874656.db2.gz	HTCUYWYBNIZESF-YELMDPSYSA-N	0	1	525.645	6.099	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000102168909	554890885	/nfs/dbraw/zinc/89/08/85/554890885.db2.gz	YFWITIXECHPITO-WGGXKBPPSA-N	0	1	548.724	5.471	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000102485419	554938278	/nfs/dbraw/zinc/93/82/78/554938278.db2.gz	IDIXHTOWZOPXEH-ZHHPLPSFSA-N	0	1	536.993	5.602	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl	ZINC000102491401	554939364	/nfs/dbraw/zinc/93/93/64/554939364.db2.gz	PDJFTSHUCOSDGS-IUKMQXEJSA-N	0	1	508.018	5.571	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000102492560	554939635	/nfs/dbraw/zinc/93/96/35/554939635.db2.gz	XWAUPWVIQLBOMW-HOGKFDNTSA-N	0	1	522.604	5.400	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC	ZINC000102495376	554940236	/nfs/dbraw/zinc/94/02/36/554940236.db2.gz	GOUSCDLTFYJBLA-MRJHHRETSA-N	0	1	524.957	5.732	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000102501948	554943407	/nfs/dbraw/zinc/94/34/07/554943407.db2.gz	JDXFZPCPWOBLIZ-MRJHHRETSA-N	0	1	511.386	6.238	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2cccnc2)ccc1O	ZINC000102502931	554943680	/nfs/dbraw/zinc/94/36/80/554943680.db2.gz	LLQWUZWEHUUGHT-WGGXKBPPSA-N	0	1	536.584	5.305	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)c(OC)c1	ZINC000102502650	554943711	/nfs/dbraw/zinc/94/37/11/554943711.db2.gz	BEMHMNKFXPRXLU-HOGKFDNTSA-N	0	1	541.398	5.378	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102502534	554943748	/nfs/dbraw/zinc/94/37/48/554943748.db2.gz	ZQLSIRLKVQIOSF-MRJHHRETSA-N	0	1	539.382	5.833	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Br)c2)nc1C	ZINC000102504105	554943914	/nfs/dbraw/zinc/94/39/14/554943914.db2.gz	HPIFJGRKZWVRHI-HVESIFNPSA-N	0	1	547.814	5.280	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000102504373	554944250	/nfs/dbraw/zinc/94/42/50/554944250.db2.gz	POSVLZQYGIGQFD-YJMWBXFMSA-N	0	1	511.618	5.853	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000102513920	554947267	/nfs/dbraw/zinc/94/72/67/554947267.db2.gz	ZBYOHNMGZZENJM-MRJHHRETSA-N	0	1	508.577	5.010	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000102514620	554947620	/nfs/dbraw/zinc/94/76/20/554947620.db2.gz	WLTIEMZVMXNQBY-GSYBUTJLSA-N	0	1	541.644	6.210	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(OC)c3OC)sc2c1	ZINC000102516422	554947912	/nfs/dbraw/zinc/94/79/12/554947912.db2.gz	WMLMBYQJSGNEJP-JBCNATCCSA-N	0	1	522.604	5.400	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000102516612	554948255	/nfs/dbraw/zinc/94/82/55/554948255.db2.gz	MFMSVKGZPLEPIO-AYWGPLOBSA-N	0	1	514.409	5.491	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C	ZINC000102519022	554948920	/nfs/dbraw/zinc/94/89/20/554948920.db2.gz	JHIBLDBLBOBGFG-GSYBUTJLSA-N	0	1	556.659	5.851	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102519277	554949309	/nfs/dbraw/zinc/94/93/09/554949309.db2.gz	QVKXDOMMTNDNSU-AYWGPLOBSA-N	0	1	565.445	6.092	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000102521416	554949731	/nfs/dbraw/zinc/94/97/31/554949731.db2.gz	UGLWKISDPAKAFI-LCPUNJGISA-N	0	1	502.832	5.893	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000102521819	554949852	/nfs/dbraw/zinc/94/98/52/554949852.db2.gz	UGEXIGFWZBLFFB-WYNCGZBVSA-N	0	1	513.590	5.082	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102524267	554950926	/nfs/dbraw/zinc/95/09/26/554950926.db2.gz	WSCNTAAMCPGBGI-NHFXJNLRSA-N	0	1	541.448	6.145	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102528007	554952898	/nfs/dbraw/zinc/95/28/98/554952898.db2.gz	OKOYKFXVOSPSIW-HOGKFDNTSA-N	0	1	525.413	6.628	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000102539301	554956883	/nfs/dbraw/zinc/95/68/83/554956883.db2.gz	JPQKMYXDRMIGMI-SBXHHDGASA-N	0	1	544.585	5.117	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2OC)cc1	ZINC000102541571	554957523	/nfs/dbraw/zinc/95/75/23/554957523.db2.gz	QMIGEHRMHWLIFL-ZHHPLPSFSA-N	0	1	504.539	5.469	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000102543092	554958066	/nfs/dbraw/zinc/95/80/66/554958066.db2.gz	UVJYGFAVVGCXRT-PYCUTIABSA-N	0	1	561.634	6.220	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000102543098	554958186	/nfs/dbraw/zinc/95/81/86/554958186.db2.gz	UVJYGFAVVGCXRT-RVKWYQKSSA-N	0	1	561.634	6.220	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc(OC)c3OC)sc2c1	ZINC000102544052	554958510	/nfs/dbraw/zinc/95/85/10/554958510.db2.gz	WXXYVJMEFMACKJ-MOBKVPTQSA-N	0	1	520.563	5.240	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000102549473	554961127	/nfs/dbraw/zinc/96/11/27/554961127.db2.gz	DIWBEPQVJVMZCY-NPJIAGGLSA-N	0	1	540.597	5.443	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102552463	554962791	/nfs/dbraw/zinc/96/27/91/554962791.db2.gz	XEQSPIUXGMGOII-MIOXIQPJSA-N	0	1	543.616	5.657	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000102552785	554962891	/nfs/dbraw/zinc/96/28/91/554962891.db2.gz	WONYJSPSLHICTQ-IIHDFJPDSA-N	0	1	599.690	5.567	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000102555216	554964013	/nfs/dbraw/zinc/96/40/13/554964013.db2.gz	ZICULTWBAQBLQG-TXTDGAROSA-N	0	1	529.589	5.267	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000102557001	554964982	/nfs/dbraw/zinc/96/49/82/554964982.db2.gz	WSUFLLUCPSADPD-CJJGVWJISA-N	0	1	503.551	5.242	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccnc2)nc1C	ZINC000102562799	554968616	/nfs/dbraw/zinc/96/86/16/554968616.db2.gz	KVMCPPUIPLTJSY-NXLSWJSLSA-N	0	1	555.612	5.147	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000102567734	554970063	/nfs/dbraw/zinc/97/00/63/554970063.db2.gz	HVTOXUZYSRLQCF-AIKCTZLLSA-N	0	1	577.634	6.058	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(OC)cc2OC)cc1	ZINC000102574897	554971272	/nfs/dbraw/zinc/97/12/72/554971272.db2.gz	NPXZIRYZKYQURH-AYWGPLOBSA-N	0	1	513.468	5.358	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	ZINC000102581650	554972684	/nfs/dbraw/zinc/97/26/84/554972684.db2.gz	JATYWBOHUUMXBR-NHFXJNLRSA-N	0	1	513.384	5.148	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1	ZINC000102595806	554976787	/nfs/dbraw/zinc/97/67/87/554976787.db2.gz	OJFZJHHMGLAHFC-SZYGQJGOSA-N	0	1	547.780	8.907	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1	ZINC000102595801	554976890	/nfs/dbraw/zinc/97/68/90/554976890.db2.gz	OJFZJHHMGLAHFC-KFLIVHAJSA-N	0	1	547.780	8.907	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000102598576	554977439	/nfs/dbraw/zinc/97/74/39/554977439.db2.gz	FDKIWNXGOAIYNU-IUKMQXEJSA-N	0	1	622.124	6.280	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2	ZINC000102600264	554977734	/nfs/dbraw/zinc/97/77/34/554977734.db2.gz	KIQHEXZFZPIQGH-ZHHPLPSFSA-N	0	1	577.615	5.073	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc1OC	ZINC000102606074	554978793	/nfs/dbraw/zinc/97/87/93/554978793.db2.gz	MDOXMGKFDWYYDC-IZHWHUGBSA-N	0	1	535.622	5.140	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1OC	ZINC000102607078	554979777	/nfs/dbraw/zinc/97/97/77/554979777.db2.gz	SZXZGOZNSLRECO-CZNAVJSXSA-N	0	1	542.613	5.674	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1	ZINC000102609075	554980825	/nfs/dbraw/zinc/98/08/25/554980825.db2.gz	UGMJKFGGJMRBKC-ONQGDUAMSA-N	0	1	599.734	6.660	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C	ZINC000102619196	554985787	/nfs/dbraw/zinc/98/57/87/554985787.db2.gz	DWEBXNJBKJALQA-ONQGDUAMSA-N	0	1	606.697	5.875	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000102620286	554986604	/nfs/dbraw/zinc/98/66/04/554986604.db2.gz	FAZSKDWBEDZTMD-SBXHHDGASA-N	0	1	619.652	5.154	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000102624700	554987990	/nfs/dbraw/zinc/98/79/90/554987990.db2.gz	JHQYXTFUCUPEGS-XKNZNLGKSA-N	0	1	609.704	7.072	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O	ZINC000102626854	554988237	/nfs/dbraw/zinc/98/82/37/554988237.db2.gz	KADWAWDAJPMILK-WTPDXTQDSA-N	0	1	611.445	5.862	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O	ZINC000102626854	554988239	/nfs/dbraw/zinc/98/82/39/554988239.db2.gz	KADWAWDAJPMILK-WTPDXTQDSA-N	0	1	611.445	5.862	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000102644701	554991695	/nfs/dbraw/zinc/99/16/95/554991695.db2.gz	POSVLZQYGIGQFD-ZHJYXLETSA-N	0	1	511.618	5.853	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000102646121	554992411	/nfs/dbraw/zinc/99/24/11/554992411.db2.gz	BFTOXOJLTSAYOJ-TVXPFAQOSA-N	0	1	503.551	5.022	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000102646568	554992705	/nfs/dbraw/zinc/99/27/05/554992705.db2.gz	UGEXIGFWZBLFFB-LOOKCOSASA-N	0	1	513.590	5.082	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000102649056	554994514	/nfs/dbraw/zinc/99/45/14/554994514.db2.gz	RUOPKXJHGLHQRE-RWMNMRIUSA-N	0	1	541.644	6.065	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000102648808	554994603	/nfs/dbraw/zinc/99/46/03/554994603.db2.gz	YFPJOWOUSOIXAS-QOISPNJLSA-N	0	1	549.627	5.298	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000102648805	554994615	/nfs/dbraw/zinc/99/46/15/554994615.db2.gz	YFPJOWOUSOIXAS-TVKWNQJWSA-N	0	1	549.627	5.298	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000102650954	554995657	/nfs/dbraw/zinc/99/56/57/554995657.db2.gz	XDVKSIDDZUKSEI-TVXPFAQOSA-N	0	1	620.152	6.832	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000102652894	554996796	/nfs/dbraw/zinc/99/67/96/554996796.db2.gz	IDKQRYIGJSPLJL-ICQXDZJJSA-N	0	1	556.659	5.995	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC	ZINC000102654282	554997622	/nfs/dbraw/zinc/99/76/22/554997622.db2.gz	VBLZKRPHIIHGBV-NXLSWJSLSA-N	0	1	595.029	5.373	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000102654781	554997675	/nfs/dbraw/zinc/99/76/75/554997675.db2.gz	IFWYFQMLXCWIDV-IUKMQXEJSA-N	0	1	526.570	5.120	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C	ZINC000102655889	554998627	/nfs/dbraw/zinc/99/86/27/554998627.db2.gz	PJNJRJMWNLPGHS-NYFCFKJUSA-N	0	1	619.139	7.333	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000102656199	554999095	/nfs/dbraw/zinc/99/90/95/554999095.db2.gz	WKVNYRAWKOVRQD-QOISPNJLSA-N	0	1	549.627	5.298	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC	ZINC000102677684	555004263	/nfs/dbraw/zinc/00/42/63/555004263.db2.gz	OCIPVPXTHYZOLQ-VMFRQMAUSA-N	0	1	634.751	6.546	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)cc1Cl	ZINC000102698458	555012099	/nfs/dbraw/zinc/01/20/99/555012099.db2.gz	OKQKFKUAPHXZFY-WOOAAIBNSA-N	0	1	503.736	5.034	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccco2)cc1	ZINC000102698257	555012172	/nfs/dbraw/zinc/01/21/72/555012172.db2.gz	KEJYOAKKHMJGBW-TXTDGAROSA-N	0	1	537.568	5.576	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCOC)ccc1O	ZINC000102697761	555012220	/nfs/dbraw/zinc/01/22/20/555012220.db2.gz	XMQXEXSBEUKPJJ-DFXXOVSGSA-N	0	1	531.605	5.137	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCOC)cc1	ZINC000102700380	555012915	/nfs/dbraw/zinc/01/29/15/555012915.db2.gz	WOXQNVTWRNNEAT-WGGXKBPPSA-N	0	1	527.617	5.597	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000102704816	555013877	/nfs/dbraw/zinc/01/38/77/555013877.db2.gz	LXHVODBMABOQCW-HOGKFDNTSA-N	0	1	520.563	5.104	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1	ZINC000102706830	555015118	/nfs/dbraw/zinc/01/51/18/555015118.db2.gz	RFISJCASUGDWAH-WGGXKBPPSA-N	0	1	548.595	5.378	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3ccccc3F)cc2)c1	ZINC000102707355	555015378	/nfs/dbraw/zinc/01/53/78/555015378.db2.gz	HNRTZZDQBWGGKR-TXTDGAROSA-N	0	1	508.549	5.730	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(C(C)C)cc3)cc2)c1	ZINC000102711727	555016718	/nfs/dbraw/zinc/01/67/18/555016718.db2.gz	YIPYHMUQTPHCSU-ZORLYMSLSA-N	0	1	549.671	6.406	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCC)c(OC)c2)cc1C	ZINC000102715838	555018501	/nfs/dbraw/zinc/01/85/01/555018501.db2.gz	SLFIHCVMNHBONO-TXTDGAROSA-N	0	1	530.621	5.598	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCOC)cc1	ZINC000102717038	555018790	/nfs/dbraw/zinc/01/87/90/555018790.db2.gz	HWVVRWIGGCZILD-DFXXOVSGSA-N	0	1	515.606	5.431	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000102718708	555019360	/nfs/dbraw/zinc/01/93/60/555019360.db2.gz	CTEAHIFFHSMEHT-MIOXIQPJSA-N	0	1	537.616	5.291	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000102723524	555020722	/nfs/dbraw/zinc/02/07/22/555020722.db2.gz	ZHTGBSWJMBNESI-JBCNATCCSA-N	0	1	504.589	5.333	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(Cl)c1	ZINC000102729873	555023281	/nfs/dbraw/zinc/02/32/81/555023281.db2.gz	AILIRENZOJUVFP-CZNAVJSXSA-N	0	1	505.998	5.686	50	30		KKEAMN
Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000102731949	555023756	/nfs/dbraw/zinc/02/37/56/555023756.db2.gz	XRTKZKRGLYWNIM-VEZPTTSMSA-N	0	1	540.660	5.026	50	30		KKEAMN
Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000102732837	555024030	/nfs/dbraw/zinc/02/40/30/555024030.db2.gz	SUSWHVQFGOLFJY-WGGXKBPPSA-N	0	1	521.617	5.591	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1	ZINC000102735216	555025001	/nfs/dbraw/zinc/02/50/01/555025001.db2.gz	RSPJHUBADATCRH-PLQDCEFPSA-N	0	1	545.635	6.253	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000102735323	555025282	/nfs/dbraw/zinc/02/52/82/555025282.db2.gz	KJZXUQOPYIAIMO-ICQXDZJJSA-N	0	1	517.581	6.424	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1	ZINC000102736936	555026432	/nfs/dbraw/zinc/02/64/32/555026432.db2.gz	CSORDWJNGNFVGM-KYWXLPDZSA-N	0	1	531.521	5.293	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000102770779	555058253	/nfs/dbraw/zinc/05/82/53/555058253.db2.gz	VWGJZVDOQGCMJA-OGHRCCBNSA-N	0	1	508.401	5.981	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000102770802	555058308	/nfs/dbraw/zinc/05/83/08/555058308.db2.gz	MYNPSRVRPGBLNR-XYGUOAIHSA-N	0	1	555.414	6.692	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1	ZINC000102771066	555059457	/nfs/dbraw/zinc/05/94/57/555059457.db2.gz	PVQYELIFUBRXEV-FECHNCLXSA-N	0	1	520.969	6.039	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102771321	555060319	/nfs/dbraw/zinc/06/03/19/555060319.db2.gz	SIHLOBQMBVIWPL-RPUIFAKWSA-N	0	1	576.099	6.434	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102771322	555060363	/nfs/dbraw/zinc/06/03/63/555060363.db2.gz	SIHLOBQMBVIWPL-YMMFOPJESA-N	0	1	576.099	6.434	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000102800055	555072393	/nfs/dbraw/zinc/07/23/93/555072393.db2.gz	RHBHXQJOKFJAAC-SELCWUDQSA-N	0	1	500.935	5.047	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000102859094	555089366	/nfs/dbraw/zinc/08/93/66/555089366.db2.gz	PHFJMSAJOWHHNS-GSYBUTJLSA-N	0	1	541.644	5.862	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(OC)cc1	ZINC000102861974	555091912	/nfs/dbraw/zinc/09/19/12/555091912.db2.gz	YTLSWLZBJLERHI-ZORLYMSLSA-N	0	1	612.649	9.361	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102862029	555092016	/nfs/dbraw/zinc/09/20/16/555092016.db2.gz	QZMXZKSYYRESPX-CJJGVWJISA-N	0	1	617.705	6.116	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC	ZINC000102863549	555093636	/nfs/dbraw/zinc/09/36/36/555093636.db2.gz	XUQKJTUUZXMKGI-NXLSWJSLSA-N	0	1	510.974	5.840	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccccc3F)cc2)c1	ZINC000102867704	555096964	/nfs/dbraw/zinc/09/69/64/555096964.db2.gz	CYLVDLXPKPSPMI-SBXHHDGASA-N	0	1	500.551	5.796	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nnc(C)s2)c1	ZINC000102868217	555097479	/nfs/dbraw/zinc/09/74/79/555097479.db2.gz	WGDPEFJPAZPAHW-IUKMQXEJSA-N	0	1	527.602	5.369	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000102869632	555099153	/nfs/dbraw/zinc/09/91/53/555099153.db2.gz	JNJNJUAKQDAUNX-QMMFTLRZSA-N	0	1	567.594	5.650	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC	ZINC000102869525	555099208	/nfs/dbraw/zinc/09/92/08/555099208.db2.gz	MGQLZCVKHRLHEQ-DFXXOVSGSA-N	0	1	602.665	5.890	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C	ZINC000102870098	555100141	/nfs/dbraw/zinc/10/01/41/555100141.db2.gz	STOMUVWZYIMEEC-DFXXOVSGSA-N	0	1	621.111	6.781	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccncc2)cc1OC	ZINC000102870190	555100368	/nfs/dbraw/zinc/10/03/68/555100368.db2.gz	VQQXHWFNPXKHCX-VEZPTTSMSA-N	0	1	550.611	5.608	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1	ZINC000102872512	555103241	/nfs/dbraw/zinc/10/32/41/555103241.db2.gz	RYNNIQKWYFHBBY-VTVSLZSGSA-N	0	1	511.618	5.853	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000102873054	555103530	/nfs/dbraw/zinc/10/35/30/555103530.db2.gz	SSMQKPMZKUEBPU-FFMCZVIESA-N	0	1	555.671	6.252	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC	ZINC000102873056	555103566	/nfs/dbraw/zinc/10/35/66/555103566.db2.gz	SSMQKPMZKUEBPU-GYBOJBDRSA-N	0	1	555.671	6.252	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000102873703	555104028	/nfs/dbraw/zinc/10/40/28/555104028.db2.gz	ZFGUSFBHIWIYAR-JBCNATCCSA-N	0	1	538.603	5.019	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)nc1C	ZINC000102874345	555104534	/nfs/dbraw/zinc/10/45/34/555104534.db2.gz	FCXNQQHEQAQHCC-JBCNATCCSA-N	0	1	508.571	5.517	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C	ZINC000102874348	555104603	/nfs/dbraw/zinc/10/46/03/555104603.db2.gz	FCXNQQHEQAQHCC-MRJHHRETSA-N	0	1	508.571	5.517	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102877042	555106559	/nfs/dbraw/zinc/10/65/59/555106559.db2.gz	PAMWSYHOTYJTKP-JBCNATCCSA-N	0	1	539.407	5.985	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000102878600	555107819	/nfs/dbraw/zinc/10/78/19/555107819.db2.gz	GZWKYSXLJNKSGY-GROYHEBESA-N	0	1	503.363	5.171	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Br)cc2)nc1C	ZINC000102878746	555107869	/nfs/dbraw/zinc/10/78/69/555107869.db2.gz	JSRXCUDQSHUVJZ-YDJIHCHBSA-N	0	1	571.449	5.334	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C	ZINC000102880217	555109310	/nfs/dbraw/zinc/10/93/10/555109310.db2.gz	VDAIJGSCNPEUPZ-GYBOJBDRSA-N	0	1	555.671	6.456	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1	ZINC000102883334	555111640	/nfs/dbraw/zinc/11/16/40/555111640.db2.gz	MXBJBVVZHLTTRH-WGGXKBPPSA-N	0	1	526.677	5.855	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000102885132	555115117	/nfs/dbraw/zinc/11/51/17/555115117.db2.gz	DYTNIDYBARGFRX-DZTJFIFISA-N	0	1	528.605	5.214	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)c1	ZINC000102885601	555115690	/nfs/dbraw/zinc/11/56/90/555115690.db2.gz	VEVBPCRYYSRXRY-ONQGDUAMSA-N	0	1	514.578	5.044	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(CC)CC)cc1	ZINC000102886872	555117500	/nfs/dbraw/zinc/11/75/00/555117500.db2.gz	PBOZSRGWMZECMC-AUNXFTLJSA-N	0	1	588.877	9.744	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(CC)CC)cc1	ZINC000102886868	555117595	/nfs/dbraw/zinc/11/75/95/555117595.db2.gz	PBOZSRGWMZECMC-YQYJTONYSA-N	0	1	588.877	9.744	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000102887582	555119593	/nfs/dbraw/zinc/11/95/93/555119593.db2.gz	MZFYZOQAINNGNC-JDSQIOQSSA-N	0	1	605.112	7.087	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000102887578	555119637	/nfs/dbraw/zinc/11/96/37/555119637.db2.gz	MZFYZOQAINNGNC-LQRKZSIOSA-N	0	1	605.112	7.087	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1	ZINC000102887878	555120556	/nfs/dbraw/zinc/12/05/56/555120556.db2.gz	UQSZEEPMENAARQ-ZORLYMSLSA-N	0	1	552.199	9.551	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1	ZINC000102889097	555122829	/nfs/dbraw/zinc/12/28/29/555122829.db2.gz	WSIFCGXNJGATII-AHPONGEQSA-N	0	1	568.198	9.252	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C	ZINC000102889332	555123586	/nfs/dbraw/zinc/12/35/86/555123586.db2.gz	ARFBWYBMMUICAY-IUKMQXEJSA-N	0	1	592.670	5.451	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000102889310	555123609	/nfs/dbraw/zinc/12/36/09/555123609.db2.gz	RCMYYDQKANRILW-ANCNPBKRSA-N	0	1	576.602	5.411	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC	ZINC000102892281	555128491	/nfs/dbraw/zinc/12/84/91/555128491.db2.gz	VJEJGLSBEGLNGA-ANCNPBKRSA-N	0	1	593.057	5.925	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000102893487	555131088	/nfs/dbraw/zinc/13/10/88/555131088.db2.gz	XRBQOEPPYRKIIV-QOISPNJLSA-N	0	1	573.690	5.686	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C	ZINC000102894647	555132952	/nfs/dbraw/zinc/13/29/52/555132952.db2.gz	LVVGOLOAXJKLCG-DFXXOVSGSA-N	0	1	547.604	5.496	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(OCc2ccccc2)c1	ZINC000102894881	555133202	/nfs/dbraw/zinc/13/32/02/555133202.db2.gz	REGYEVKXZRNNSI-TXTDGAROSA-N	0	1	523.541	5.252	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccc(C(C)C)cc3)cc2)c1	ZINC000102894883	555133209	/nfs/dbraw/zinc/13/32/09/555133209.db2.gz	TVJVWIZUIMBIGY-MIOXIQPJSA-N	0	1	512.650	5.681	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000102896279	555135986	/nfs/dbraw/zinc/13/59/86/555135986.db2.gz	HECXZJJPZOUAJP-ONQGDUAMSA-N	0	1	534.609	5.832	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000102897501	555137811	/nfs/dbraw/zinc/13/78/11/555137811.db2.gz	QXKVWGXGEMNDAN-ZHHPLPSFSA-N	0	1	579.428	5.465	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O	ZINC000102897430	555137924	/nfs/dbraw/zinc/13/79/24/555137924.db2.gz	HUHSWABZFOOHEP-HOTYXSFQSA-N	0	1	549.004	5.614	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102898253	555138435	/nfs/dbraw/zinc/13/84/35/555138435.db2.gz	HWYPPSNSBGXLNK-GMBUILNLSA-N	0	1	533.005	5.908	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102924851	555148949	/nfs/dbraw/zinc/14/89/49/555148949.db2.gz	AEAFWBKWOPEMAN-JBCNATCCSA-N	0	1	505.508	5.131	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Br)c2)ccc1OCc1ccccc1	ZINC000102926467	555150938	/nfs/dbraw/zinc/15/09/38/555150938.db2.gz	SZVODDYMAZPMIZ-CZNAVJSXSA-N	0	1	549.465	5.320	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCOC)cc1OCC	ZINC000102926581	555151157	/nfs/dbraw/zinc/15/11/57/555151157.db2.gz	SWLUDBSUGORAAX-NGAXIMOQSA-N	0	1	523.626	5.046	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC	ZINC000102928089	555153205	/nfs/dbraw/zinc/15/32/05/555153205.db2.gz	HRKGLTHAFCILPP-UUALVTFQSA-N	0	1	546.620	5.073	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000102929454	555155330	/nfs/dbraw/zinc/15/53/30/555155330.db2.gz	HHSNYPPHAOPFJY-HOGKFDNTSA-N	0	1	506.605	5.782	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)cc1OCC	ZINC000102932516	555159938	/nfs/dbraw/zinc/15/99/38/555159938.db2.gz	PIXXAZXRDKIKOQ-JLPDLQRYSA-N	0	1	523.626	5.046	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000102932344	555160071	/nfs/dbraw/zinc/16/00/71/555160071.db2.gz	HMULVJLCUYGMDF-KFLIVHAJSA-N	0	1	582.741	6.016	50	30		KKEAMN
CCCCCCCCCC(=O)N(CCCOC)Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1	ZINC000102997800	555197146	/nfs/dbraw/zinc/19/71/46/555197146.db2.gz	VIVBTEMANLHDHG-UHFFFAOYSA-N	0	1	511.755	5.438	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1	ZINC000103002830	555201861	/nfs/dbraw/zinc/20/18/61/555201861.db2.gz	TXMAZWHALCGUEL-AHPONGEQSA-N	0	1	533.753	8.598	50	30		KKEAMN
CCCCCCCCOc1ccc(Nc2cc(Nc3ccccc3/N=C/c3ccc4c(c3)OCO4)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000103012696	555207479	/nfs/dbraw/zinc/20/74/79/555207479.db2.gz	CVSZOUVEUUNIGE-FADJLKOXSA-N	0	1	625.682	9.209	50	30		KKEAMN
COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000103026624	555216476	/nfs/dbraw/zinc/21/64/76/555216476.db2.gz	XUHUFSQUHKRABB-UHFFFAOYSA-N	0	1	615.594	5.788	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2cccc(Br)c2)cc1C	ZINC000103143820	555311927	/nfs/dbraw/zinc/31/19/27/555311927.db2.gz	VXGDIJKFTPFKKL-ZHHPLPSFSA-N	0	1	516.432	5.395	50	30		KKEAMN
Cc1ccc2oc(-c3ccc(/N=C/c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)cc3O)nc2c1	ZINC000103615806	555456144	/nfs/dbraw/zinc/45/61/44/555456144.db2.gz	VQQTVVLNWGXWNU-RWPZCVJISA-N	0	1	510.462	6.868	50	30		KKEAMN
C=C(C)[C@@H](CC=C(C)C)C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C1=O)C([O-])=C(C(=O)c1ccc(O)c(O)c1)C2=O	ZINC000004098424	571360368	/nfs/dbraw/zinc/36/03/68/571360368.db2.gz	QDKLRKZQSOQWJQ-SMDXAGPFSA-N	0	1	602.812	8.915	50	30	endogenous,in-man	KKEAMN
CCCCCCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1	ZINC000106014734	571410252	/nfs/dbraw/zinc/41/02/52/571410252.db2.gz	JKDKXOHPUDDMIF-MPFGFTFXSA-N	0	1	567.513	7.784	50	30		KKEAMN
CCCCCCCCOc1ccc([C@@H](CC(=O)OC)c2c(=O)c(O)c(O)c3c(O)cc(-c4ccccc4)oc2-3)cc1	ZINC000108450399	571425156	/nfs/dbraw/zinc/42/51/56/571425156.db2.gz	UKCODXSOGCMAQW-XMMPIXPASA-N	0	1	560.643	7.011	50	30	biogenic	KKEAMN
O=S(=O)(c1ccc(/N=C/c2cc(Br)ccc2O)cc1)c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1	ZINC000150351869	571462294	/nfs/dbraw/zinc/46/22/94/571462294.db2.gz	WDVIRVNGPYOVKZ-WCZMLVOGSA-N	0	1	693.211	7.719	50	30	biogenic	KKEAMN
C[C@H](NC(=O)CSc1nc2ccc(/N=C/c3cc(I)cc(I)c3O)cc2s1)c1ccccc1	ZINC000150355595	571463072	/nfs/dbraw/zinc/46/30/72/571463072.db2.gz	SVDGBSMTASESAM-YOGAUDJFSA-N	0	1	699.377	6.931	50	30		KKEAMN
O=C(CSc1nc2ccc(/N=C/c3cc(I)cc(I)c3O)cc2s1)NC1CCCCC1	ZINC000150358348	571463524	/nfs/dbraw/zinc/46/35/24/571463524.db2.gz	XVBPLZRWRJXMNO-OPEKNORGSA-N	0	1	677.371	6.503	50	30		KKEAMN
CCCCCCCCCCCCCCCCCCOc1ccccc1N1C(=O)c2ccccc2C(Sc2nnnn2-c2ccccc2)C1=O	ZINC000150391521	571473811	/nfs/dbraw/zinc/47/38/11/571473811.db2.gz	ZYSWTYWXGJBAFY-DIPNUNPCSA-N	0	1	681.947	10.323	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150417228	571486155	/nfs/dbraw/zinc/48/61/55/571486155.db2.gz	HCAHEUHRPNCUGH-QJGFIUGVSA-N	0	1	643.787	6.886	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC	ZINC000150417779	571486292	/nfs/dbraw/zinc/48/62/92/571486292.db2.gz	GJHYBIOBKMKZGX-ONQGDUAMSA-N	0	1	700.622	7.332	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150418219	571486519	/nfs/dbraw/zinc/48/65/19/571486519.db2.gz	OLFGLYICHWZGNE-UUALVTFQSA-N	0	1	666.177	6.679	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000150422202	571488009	/nfs/dbraw/zinc/48/80/09/571488009.db2.gz	OFLMJCYBXKLZRE-VEZPTTSMSA-N	0	1	649.750	6.807	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2	ZINC000150422206	571488040	/nfs/dbraw/zinc/48/80/40/571488040.db2.gz	OFLMJCYBXKLZRE-QMMFTLRZSA-N	0	1	649.750	6.807	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C	ZINC000150422182	571488123	/nfs/dbraw/zinc/48/81/23/571488123.db2.gz	PCXGNBGMNYVOGS-VDBNUPDGSA-N	0	1	671.841	7.604	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C	ZINC000150424234	571489029	/nfs/dbraw/zinc/48/90/29/571489029.db2.gz	UINYYWOMOFCRBU-PLQDCEFPSA-N	0	1	685.868	7.912	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC	ZINC000150428557	571492084	/nfs/dbraw/zinc/49/20/84/571492084.db2.gz	NPVIZSMGCMNVCS-SSEXGKCCSA-N	0	1	706.871	8.606	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000150435025	571495079	/nfs/dbraw/zinc/49/50/79/571495079.db2.gz	FPVFTTCDKDOMTH-AYWGPLOBSA-N	0	1	630.506	6.674	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1	ZINC000150435474	571495474	/nfs/dbraw/zinc/49/54/74/571495474.db2.gz	WCLVVDIDEIZFQI-GKYPKFCBSA-N	0	1	705.858	8.066	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1	ZINC000150435800	571495824	/nfs/dbraw/zinc/49/58/24/571495824.db2.gz	QNONWGPLBDCTDJ-JVDDQQDMSA-N	0	1	743.863	8.359	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C	ZINC000150445205	571500237	/nfs/dbraw/zinc/50/02/37/571500237.db2.gz	FFRKMZWTZWKYLW-NSEAICKMSA-N	0	1	629.485	5.055	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C	ZINC000150445312	571500398	/nfs/dbraw/zinc/50/03/98/571500398.db2.gz	XQWYNSVFGAVIIY-MIOXIQPJSA-N	0	1	656.713	6.003	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000150445394	571500422	/nfs/dbraw/zinc/50/04/22/571500422.db2.gz	YYLBGXYSIQNAHO-TXTDGAROSA-N	0	1	658.729	6.168	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C	ZINC000150445326	571500442	/nfs/dbraw/zinc/50/04/42/571500442.db2.gz	DBTSEWGIPDXBLH-QMMFTLRZSA-N	0	1	668.724	6.170	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000150445614	571500732	/nfs/dbraw/zinc/50/07/32/571500732.db2.gz	NOTAMKLKMUQBEA-ONQGDUAMSA-N	0	1	644.702	5.778	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150445869	571500997	/nfs/dbraw/zinc/50/09/97/571500997.db2.gz	OFGLHEMHLKWAMY-ROBPHKHBSA-N	0	1	632.163	6.998	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1	ZINC000150453854	571503768	/nfs/dbraw/zinc/50/37/68/571503768.db2.gz	GKIJUJGYQGTAPL-SZYGQJGOSA-N	0	1	650.709	6.680	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000150453780	571503819	/nfs/dbraw/zinc/50/38/19/571503819.db2.gz	PFKKDRXKPJAABF-JBODOUGHSA-N	0	1	637.508	6.121	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150457455	571504904	/nfs/dbraw/zinc/50/49/04/571504904.db2.gz	VNVYFURFWXKENR-WSOTVMCUSA-N	0	1	677.848	8.358	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150457422	571505007	/nfs/dbraw/zinc/50/50/07/571505007.db2.gz	GOTFXUMMRMZYHF-DNNDWWBDSA-N	0	1	641.771	6.744	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150457833	571505190	/nfs/dbraw/zinc/50/51/90/571505190.db2.gz	NGDBHKLVKGCDLV-HYVCFMKYSA-N	0	1	678.232	7.621	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150459201	571505670	/nfs/dbraw/zinc/50/56/70/571505670.db2.gz	DKYTYDLUXGBXFD-NNZNMFTDSA-N	0	1	665.768	7.498	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000150459188	571505709	/nfs/dbraw/zinc/50/57/09/571505709.db2.gz	HGKKTZNKTYTPJK-ROBPHKHBSA-N	0	1	634.179	7.222	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150459209	571505752	/nfs/dbraw/zinc/50/57/52/571505752.db2.gz	DKYTYDLUXGBXFD-RIEKNRFYSA-N	0	1	665.768	7.498	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000150461448	571506362	/nfs/dbraw/zinc/50/63/62/571506362.db2.gz	NWBXBFHSXWCVNY-VMFRQMAUSA-N	0	1	631.751	7.098	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150461184	571506419	/nfs/dbraw/zinc/50/64/19/571506419.db2.gz	MCJRIDKPEDKFFD-HWTUVFLMSA-N	0	1	696.678	8.656	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C	ZINC000150463334	571507072	/nfs/dbraw/zinc/50/70/72/571507072.db2.gz	JRXFWVPVMBRSDX-WKHTWXOLSA-N	0	1	641.496	5.221	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150463445	571507299	/nfs/dbraw/zinc/50/72/99/571507299.db2.gz	GWEAJFAZYLBVED-PYCUTIABSA-N	0	1	663.821	8.112	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150463867	571507489	/nfs/dbraw/zinc/50/74/89/571507489.db2.gz	GHIQIZFTIAXKMO-GSYBUTJLSA-N	0	1	657.814	7.358	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150465554	571507822	/nfs/dbraw/zinc/50/78/22/571507822.db2.gz	LSQFNIMMUNAZDD-NNZNMFTDSA-N	0	1	706.286	8.401	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150467666	571508239	/nfs/dbraw/zinc/50/82/39/571508239.db2.gz	QTWKMCUUIUGIDG-MIOXIQPJSA-N	0	1	637.739	6.780	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000150469578	571508881	/nfs/dbraw/zinc/50/88/81/571508881.db2.gz	SSYOSIZMFQTOLQ-DFXXOVSGSA-N	0	1	647.750	6.792	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150469638	571508887	/nfs/dbraw/zinc/50/88/87/571508887.db2.gz	YZGVDIIXQZDQFR-HYVCFMKYSA-N	0	1	676.216	7.397	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000150471592	571509619	/nfs/dbraw/zinc/50/96/19/571509619.db2.gz	NKLITVLXWCXDHB-HYVCFMKYSA-N	0	1	678.232	7.621	50	30		KKEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150477246	571511318	/nfs/dbraw/zinc/51/13/18/571511318.db2.gz	QNALETOPSUWILV-VEZPTTSMSA-N	0	1	651.766	7.170	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000150480382	571511900	/nfs/dbraw/zinc/51/19/00/571511900.db2.gz	WYANABXJEOPBAU-WGGXKBPPSA-N	0	1	677.776	6.945	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150486753	571516579	/nfs/dbraw/zinc/51/65/79/571516579.db2.gz	OFJQFMSNVJIRTN-YSJQHINGSA-N	0	1	716.668	8.666	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@@H](Cc3nc4ccccc4[nH]3)c3ccc(F)cc3)C1=O)O2	ZINC000263585309	572117501	/nfs/dbraw/zinc/11/75/01/572117501.db2.gz	HEBGSGPIICTNNX-YRCSAVHKSA-N	0	1	581.600	5.158	50	30		KKEAMN
Cc1ccc2oc(-c3cccc(N=Cc4cc(I)cc(I)c4O)c3)nc2c1	ZINC000252621932	572269649	/nfs/dbraw/zinc/26/96/49/572269649.db2.gz	NKIYHQKLCNTKMQ-UHFFFAOYSA-N	0	1	580.163	6.469	50	30		KKEAMN
CCCCc1ccc(N=Cc2cc(I)cc(I)c2O)c(C)c1	ZINC000252610729	572268200	/nfs/dbraw/zinc/26/82/00/572268200.db2.gz	IDCVSUPWAIENNB-UHFFFAOYSA-N	0	1	519.164	6.003	50	30		KKEAMN
Cc1ccc2oc(-c3cc(N=Cc4ccc(C(=O)Oc5cc(Cl)ccc5Cl)cc4)ccc3O)nc2c1	ZINC000252621592	572269623	/nfs/dbraw/zinc/26/96/23/572269623.db2.gz	NCGJROQRFHIGAT-UHFFFAOYSA-N	0	1	517.368	7.785	50	30		KKEAMN
CC(=O)c1ccc(NC(=O)CSc2nc3ccc(N=Cc4cc(I)cc(I)c4O)cc3s2)cc1	ZINC000252623386	572269996	/nfs/dbraw/zinc/26/99/96/572269996.db2.gz	OQAKLGCHLWTNPH-UHFFFAOYSA-N	0	1	713.360	6.895	50	30		KKEAMN
C[C@H](NC(=O)CSc1nc2ccc(N=Cc3cc(Br)cc(Br)c3O)cc2s1)c1ccccc1	ZINC000252629617	572271134	/nfs/dbraw/zinc/27/11/34/572271134.db2.gz	UKCCSKIIBFQBES-AWEZNQCLSA-N	0	1	605.377	7.247	50	30		KKEAMN
C[C@@H](NC(=O)CSc1nc2ccc(N=Cc3cc(Br)cc(Br)c3O)cc2s1)c1ccccc1	ZINC000252629618	572271196	/nfs/dbraw/zinc/27/11/96/572271196.db2.gz	UKCCSKIIBFQBES-CQSZACIVSA-N	0	1	605.377	7.247	50	30		KKEAMN
CCCCC1SC(=NN=Cc2cc(C)ccc2OS(=O)(=O)c2cc(Br)ccc2Br)NC1=O	ZINC000252637801	572272101	/nfs/dbraw/zinc/27/21/01/572272101.db2.gz	XWJCFEYDAIPLBZ-GOSISDBHSA-N	0	1	603.358	5.399	50	30		KKEAMN
COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C=C(Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)C[C@H]1C	ZINC000888088729	1071056323	/nfs/dbraw/zinc/05/63/23/1071056323.db2.gz	OJLKJYVLORBCQI-SXBFAZIISA-N	0	1	523.973	5.004	50	30		KKEAMN
COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C=C(Nc2ccc3nc(-c4cccnc4)[nH]c3c2)C[C@@H]1C	ZINC000888089863	1071062489	/nfs/dbraw/zinc/06/24/89/1071062489.db2.gz	LJZTYACDXBOADE-HJFSHJIFSA-N	0	1	530.968	5.214	50	30		KKEAMN
CCCCCCCCCCC1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)NC1=O	ZINC000245263606	1071161920	/nfs/dbraw/zinc/16/19/20/1071161920.db2.gz	AZWKIKCNAJRYEE-MHZLTWQESA-N	0	1	571.809	7.204	50	30		KKEAMN
Cc1cc(C=NN=C2NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)c(C)n1-c1ccccc1F	ZINC000886014927	1071315281	/nfs/dbraw/zinc/31/52/81/1071315281.db2.gz	HEWZFYKWVFREAA-OAQYLSRUSA-N	0	1	502.587	5.712	50	30		KKEAMN
CCCCCCCCCCC1S/C(=N/N=Cc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)NC1=O	ZINC000245265692	1072830838	/nfs/dbraw/zinc/83/08/38/1072830838.db2.gz	HAJKSKCDZIVCMR-VWLOTQADSA-N	0	1	529.728	6.215	50	30		KKEAMN
CCCCCCCCCCCCCCCCC1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3cc(C)ccc3C)c2)NC1=O	ZINC000245283707	1072831370	/nfs/dbraw/zinc/83/13/70/1072831370.db2.gz	OIZCGIIFBSLQOA-WJOKGBTCSA-N	0	1	627.917	8.864	50	30		KKEAMN
Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1	ZINC000254443794	1072855712	/nfs/dbraw/zinc/85/57/12/1072855712.db2.gz	TVGGJECNKVMGLD-UHFFFAOYSA-N	0	1	514.432	5.154	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000000631213	551505128	/nfs/dbraw/zinc/50/51/28/551505128.db2.gz	JOANBNJPZGGBRV-IBGZPJMESA-N	0	1	541.423	5.482	50	30		KKEAMN
CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000000647246	551508180	/nfs/dbraw/zinc/50/81/80/551508180.db2.gz	JTISBAXSJKDXLT-KEEVHDRGSA-N	0	1	527.577	5.923	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2)cc1	ZINC000000672320	551519461	/nfs/dbraw/zinc/51/94/61/551519461.db2.gz	SYUCUYJSRZXWJT-QCBOHVIISA-N	0	1	560.650	6.927	50	30		KKEAMN
O=C(c1ccccc1)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000000674112	551520700	/nfs/dbraw/zinc/52/07/00/551520700.db2.gz	KINWNGNCMCOSKE-KCWXNJEJSA-N	0	1	505.530	6.402	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(OCc3ccccc3)cc2)nc1C	ZINC000000702939	551529772	/nfs/dbraw/zinc/52/97/72/551529772.db2.gz	SYPKFDTXRRYTAT-MHZLTWQESA-N	0	1	564.619	6.762	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000000702686	551529850	/nfs/dbraw/zinc/52/98/50/551529850.db2.gz	KPKBKBOHRZFBOQ-YIXXDRMTSA-N	0	1	523.626	5.276	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000000703069	551530217	/nfs/dbraw/zinc/53/02/17/551530217.db2.gz	DJPDFQFYHRJWCL-HMILPKGGSA-N	0	1	507.542	6.174	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000000702997	551530259	/nfs/dbraw/zinc/53/02/59/551530259.db2.gz	RJGNBVHKSRZWFX-LJAQVGFWSA-N	0	1	535.552	6.392	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000000703068	551530303	/nfs/dbraw/zinc/53/03/03/551530303.db2.gz	DJPDFQFYHRJWCL-GDJIYFAZSA-N	0	1	507.542	6.174	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000000703070	551530310	/nfs/dbraw/zinc/53/03/10/551530310.db2.gz	DJPDFQFYHRJWCL-WHLCRQNOSA-N	0	1	507.542	6.174	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3N=C3CC(C)(C)CC(=O)C3[C@H]2c2cccc(Br)c2)cc(OC)c1OC	ZINC000000717279	551534817	/nfs/dbraw/zinc/53/48/17/551534817.db2.gz	DCWZEKFNWCQOFD-MUUNZHRXSA-N	0	1	591.502	6.932	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000000718123	551535081	/nfs/dbraw/zinc/53/50/81/551535081.db2.gz	SXGANHMVGCHPAB-AYWVHJORSA-N	0	1	506.602	6.092	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2cccs2)cc1OC	ZINC000000719047	551535718	/nfs/dbraw/zinc/53/57/18/551535718.db2.gz	PGJNQOIPYBMJNZ-VKGTZQKMSA-N	0	1	500.620	6.076	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)[C@H]1c1cccc(F)c1	ZINC000000985927	551592763	/nfs/dbraw/zinc/59/27/63/551592763.db2.gz	JRGWDTTXIFPOFJ-WWOZWPLTSA-N	0	1	530.596	6.162	50	30		KKEAMN
COc1cc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC	ZINC000000985925	551592785	/nfs/dbraw/zinc/59/27/85/551592785.db2.gz	VFKHKRRDTMZELY-XDCSYDRFSA-N	0	1	574.677	7.235	50	30		KKEAMN
N#Cc1c(OCC(F)(F)F)ccc(S(=O)(=O)Nc2ccc(C(=O)c3ccccc3)cc2)c1OCC(F)(F)F	ZINC000001040843	551598783	/nfs/dbraw/zinc/59/87/83/551598783.db2.gz	CLIDHWNKJUCVRL-UHFFFAOYSA-N	0	1	558.456	5.472	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3N=C3CC(C)(C)CC(=O)C3[C@@H]2c2ccc(Cl)cc2)cc(OC)c1OC	ZINC000001218582	551627128	/nfs/dbraw/zinc/62/71/28/551627128.db2.gz	UYTRWBDFPMHRKY-NDEPHWFRSA-N	0	1	547.051	6.823	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccc(F)cc4)C3)[C@@H]2c2cccs2)cc(OC)c1OC	ZINC000001249972	551632191	/nfs/dbraw/zinc/63/21/91/551632191.db2.gz	RDRFTBIJDMJKOY-QJWGWKRISA-N	0	1	584.669	7.127	50	30		KKEAMN
COc1cc([C@@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc(OC)c1OC	ZINC000001251406	551632597	/nfs/dbraw/zinc/63/25/97/551632597.db2.gz	ZMMCEEQHVPVEIL-APYJYERMSA-N	0	1	554.687	6.930	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000001308593	551639673	/nfs/dbraw/zinc/63/96/73/551639673.db2.gz	QXIONYISBBJWBJ-JMQGSBJISA-N	0	1	582.575	6.184	50	30		KKEAMN
COc1cc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC	ZINC000001323130	551642272	/nfs/dbraw/zinc/64/22/72/551642272.db2.gz	LWEDEMYOOUAYRQ-UKPGIYTDSA-N	0	1	550.611	6.520	50	30	biogenic	KKEAMN
COc1ccc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1OC	ZINC000001409629	551664200	/nfs/dbraw/zinc/66/42/00/551664200.db2.gz	KFGVICPIJUBQSK-SFRLIIPVSA-N	0	1	544.651	7.227	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000001411030	551664749	/nfs/dbraw/zinc/66/47/49/551664749.db2.gz	JMAJBTWTNUQUON-AREMUKBSSA-N	0	1	500.982	6.041	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000001411055	551664791	/nfs/dbraw/zinc/66/47/91/551664791.db2.gz	JHAQLRSDADQRDK-NDEPHWFRSA-N	0	1	510.590	5.786	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)C(F)(F)F)[C@H]3c2cccs2)cc1	ZINC000001413001	551665212	/nfs/dbraw/zinc/66/52/12/551665212.db2.gz	PURXEQFBZQESMW-GKVSMKOHSA-N	0	1	512.553	6.528	50	30		KKEAMN
COc1ccccc1[C@@H]1C(C(=O)c2ccc(Br)cc2)C(=O)C(=O)N1CCc1c[nH]c2ccccc12	ZINC000001413417	551665431	/nfs/dbraw/zinc/66/54/31/551665431.db2.gz	JQWFTZUTKODZRC-RUZDIDTESA-N	0	1	531.406	5.760	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c(OC)c1	ZINC000001413476	551665820	/nfs/dbraw/zinc/66/58/20/551665820.db2.gz	ZJWMEGODYFUORM-SANMLTNESA-N	0	1	516.981	5.660	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O	ZINC000001414779	551666569	/nfs/dbraw/zinc/66/65/69/551666569.db2.gz	KZXZATGFVDHINC-SANMLTNESA-N	0	1	516.981	5.747	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c(OC)c1	ZINC000001414750	551666596	/nfs/dbraw/zinc/66/65/96/551666596.db2.gz	JOSTVVMDNIUPDG-AREMUKBSSA-N	0	1	500.526	5.145	50	30		KKEAMN
COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000001438538	551671930	/nfs/dbraw/zinc/67/19/30/551671930.db2.gz	LGVMKRCPRKZIIN-CRYYWNKWSA-N	0	1	548.592	5.165	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000001450200	551675349	/nfs/dbraw/zinc/67/53/49/551675349.db2.gz	ZXZFDGRVPMENAU-LJQANCHMSA-N	0	1	517.415	6.456	50	30		KKEAMN
COc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1OC	ZINC000001458999	551677641	/nfs/dbraw/zinc/67/76/41/551677641.db2.gz	MFXGBKBDLNCGPF-JPZYQRIQSA-N	0	1	520.585	6.511	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000001480875	551682173	/nfs/dbraw/zinc/68/21/73/551682173.db2.gz	CCODETKKUHIECG-XMMPIXPASA-N	0	1	534.565	5.634	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000001480889	551682335	/nfs/dbraw/zinc/68/23/35/551682335.db2.gz	AGQTUPPSZHSHEG-HXUWFJFHSA-N	0	1	541.448	6.302	50	30		KKEAMN
CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000001746188	551691887	/nfs/dbraw/zinc/69/18/87/551691887.db2.gz	UZIDWSNWWMEQIF-QFIPXVFZSA-N	0	1	536.338	5.099	50	30		KKEAMN
Cc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(Cl)c4O)ccc3o2)cc1Br	ZINC000001882932	551724595	/nfs/dbraw/zinc/72/45/95/551724595.db2.gz	MRZNZVMTTASTLV-KIBLKLHPSA-N	0	1	520.608	7.438	50	30		KKEAMN
N#Cc1c2c(sc1Nc1nc3ccccc3nc1N1CCN(C(c3ccccc3)c3ccccc3)CC1)CCCC2	ZINC000001886611	551725926	/nfs/dbraw/zinc/72/59/26/551725926.db2.gz	PUXJSPFPPXBQBO-UHFFFAOYSA-N	0	1	556.739	7.097	50	30		KKEAMN
CCc1ccccc1/N=C1\S/C(=C\c2cc(Cl)cc(Br)c2O)C(=O)N1c1ccccc1CC	ZINC000002084060	551753881	/nfs/dbraw/zinc/75/38/81/551753881.db2.gz	AHPGMKISSRQKEL-XNLNZBGWSA-N	0	1	541.898	7.742	50	30		KKEAMN
CCCc1sc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2C)c(C#N)c1C	ZINC000002179301	551784622	/nfs/dbraw/zinc/78/46/22/551784622.db2.gz	BIOKXSMWQVWHGY-VCHYOVAHSA-N	0	1	557.528	6.426	50	30		KKEAMN
C[C@@]1(c2cccc([N+](=O)[O-])c2)Nc2ccccc2C(=O)N1/N=C/c1cc(Br)cc(Br)c1O	ZINC000002188432	551788439	/nfs/dbraw/zinc/78/84/39/551788439.db2.gz	RWVAAUQAHSQQJX-XZVVGHKBSA-N	0	1	560.202	5.600	50	30		KKEAMN
Cc1cc(I)ccc1/N=C/c1c2c(cc(Br)c1O)oc1c2CCCC1	ZINC000002288669	551807232	/nfs/dbraw/zinc/80/72/32/551807232.db2.gz	UNRQNVYWZGDHNL-AUEPDCJTSA-N	0	1	510.169	6.443	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000001451437	552077947	/nfs/dbraw/zinc/07/79/47/552077947.db2.gz	VJHHTPBDBGPSGJ-HSZRJFAPSA-N	0	1	534.590	5.569	50	30		KKEAMN
O=C(C(O)=C(c1ccccc1)[C@@H]1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@H]1c1ccccc1)c1ccccc1	ZINC000002518995	552126794	/nfs/dbraw/zinc/12/67/94/552126794.db2.gz	GJTHMHRZFIJUGA-GJJQDPDKSA-N	0	1	532.639	7.816	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1	ZINC000002753669	552176827	/nfs/dbraw/zinc/17/68/27/552176827.db2.gz	IVIVMMAVNODBNU-HTOJEEBVSA-N	0	1	570.733	8.747	50	30		KKEAMN
C=CCOc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC	ZINC000002916890	552217810	/nfs/dbraw/zinc/21/78/10/552217810.db2.gz	HCVCEBCHDSVEJE-NTUHNPAUSA-N	0	1	589.238	5.003	50	30		KKEAMN
C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OCC	ZINC000002920778	552219644	/nfs/dbraw/zinc/21/96/44/552219644.db2.gz	FONBWESDXRGETH-RIYZIHGNSA-N	0	1	556.265	5.551	50	30		KKEAMN
Cc1ccc(CN(CN2C(=O)/C(=N\NC(=S)Nc3cccc(Cl)c3C)c3ccccc32)C2CCCCC2)cc1	ZINC000002923034	552221843	/nfs/dbraw/zinc/22/18/43/552221843.db2.gz	VBCWDBSLRCEFKN-BNIPGBBVSA-N	0	1	560.167	6.787	50	30		KKEAMN
CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(Br)c4O)ccc3o2)cc1	ZINC000003066578	552285045	/nfs/dbraw/zinc/28/50/45/552285045.db2.gz	PRQDGGLJIFTENX-UVHMKAGCSA-N	0	1	528.244	7.774	50	30		KKEAMN
COc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(I)c4O)ccc3o2)cc1	ZINC000003184633	552301124	/nfs/dbraw/zinc/30/11/24/552301124.db2.gz	QEQYXULKILRDBI-BHGWPJFGSA-N	0	1	549.162	6.327	50	30		KKEAMN
COc1ccc(Nc2nc(N=NCc3ccc(-c4ccc(Cl)cc4)o3)nc(NCc3ccco3)n2)cc1	ZINC000004044945	552430603	/nfs/dbraw/zinc/43/06/03/552430603.db2.gz	BFZAOUAOFLETDC-MUFRIFMGSA-N	0	1	515.961	6.188	50	30		KKEAMN
CCOC(=O)c1ccc(-c2ccc(CN=Nc3nc(NCc4ccco4)nc(Nc4ccc(OC)cc4)n3)o2)cc1	ZINC000004063872	552431962	/nfs/dbraw/zinc/43/19/62/552431962.db2.gz	JOKKFXCKHAOVAT-FDAWAROLSA-N	0	1	553.579	5.712	50	30		KKEAMN
O=C(c1ccco1)N1CCN(c2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2)CC1	ZINC000004109773	552438157	/nfs/dbraw/zinc/43/81/57/552438157.db2.gz	JSIRSIIEPLCFLT-AFUMVMLFSA-N	0	1	533.220	5.223	50	30		KKEAMN
CCN(CC)c1ccc(C=[NH+][N-]c2nc3ccccc3nc2[N-][NH+]=Cc2ccc(N(CC)CC)cc2)cc1	ZINC000004551928	552465909	/nfs/dbraw/zinc/46/59/09/552465909.db2.gz	RTNALLMOGUHAOL-RWRHWQIFSA-N	0	1	508.674	6.214	50	30		KKEAMN
Cc1c(C#N)c2nc3ccccc3n2c(N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)c1Cc1ccccc1	ZINC000005351300	552498286	/nfs/dbraw/zinc/49/82/86/552498286.db2.gz	OKVTXPSFRUHTHT-PGUFJCEWSA-N	0	1	582.151	7.823	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)cc1C	ZINC000005355402	552498530	/nfs/dbraw/zinc/49/85/30/552498530.db2.gz	ZTTPAHRKSMIUSE-JOCHJYFZSA-N	0	1	538.597	5.647	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2F)c(C)c1	ZINC000005919055	552512379	/nfs/dbraw/zinc/51/23/79/552512379.db2.gz	NFYUGKOCLDNTME-JOCHJYFZSA-N	0	1	538.597	5.647	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCC)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000005919088	552512489	/nfs/dbraw/zinc/51/24/89/552512489.db2.gz	UYHZLQLCXOSFCG-QHCPKHFHSA-N	0	1	567.063	6.328	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(Cl)cc2)cc1C	ZINC000005919776	552512665	/nfs/dbraw/zinc/51/26/65/552512665.db2.gz	PULSUVPUEGLVNU-QFIPXVFZSA-N	0	1	553.036	5.938	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1	ZINC000005944493	552514666	/nfs/dbraw/zinc/51/46/66/552514666.db2.gz	VTGSPUMAADDXIP-SLGOVJDISA-N	0	1	558.644	8.314	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC	ZINC000006143494	552545171	/nfs/dbraw/zinc/54/51/71/552545171.db2.gz	CLEGOJOLOWANOT-QHCPKHFHSA-N	0	1	536.631	5.947	50	30		KKEAMN
CCCCOC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000006146069	552547724	/nfs/dbraw/zinc/54/77/24/552547724.db2.gz	SLSQFIMRYDHBPN-UHFFFAOYSA-N	0	1	531.428	5.843	50	30		KKEAMN
C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(OCC)c3)C2=O)cc(OCC)c1OCc1ccccc1	ZINC000006631305	552606482	/nfs/dbraw/zinc/60/64/82/552606482.db2.gz	CTWCTISDLKBKAL-YZSQISJMSA-N	0	1	542.657	5.623	50	30		KKEAMN
CCCCCCCCCCCCCCCCCC(=O)NC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OCC	ZINC000008195625	552984329	/nfs/dbraw/zinc/98/43/29/552984329.db2.gz	QUVZKDZYEOYGKV-HHHXNRCGSA-O	0	1	551.770	6.609	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000008383334	552986190	/nfs/dbraw/zinc/98/61/90/552986190.db2.gz	IPBPZHSEKPYXRD-LJAQVGFWSA-N	0	1	635.698	8.291	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H]1c1cccc(Br)c1	ZINC000008383403	552986535	/nfs/dbraw/zinc/98/65/35/552986535.db2.gz	AHXODZTYNANUHV-HSZRJFAPSA-N	0	1	638.952	7.775	50	30		KKEAMN
CN(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1	ZINC000008383482	552986786	/nfs/dbraw/zinc/98/67/86/552986786.db2.gz	QBCSYXCOUMFUIC-RUZDIDTESA-N	0	1	586.670	6.565	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1	ZINC000008384014	552988733	/nfs/dbraw/zinc/98/87/33/552988733.db2.gz	ONBSTHHNWJIZGF-MHZLTWQESA-N	0	1	581.719	7.791	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@@H]2c2ccc(Br)cc2)C1	ZINC000008395959	552994365	/nfs/dbraw/zinc/99/43/65/552994365.db2.gz	UUZXFWTYLIERMI-MUUNZHRXSA-N	0	1	515.451	6.835	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000008398943	553000123	/nfs/dbraw/zinc/00/01/23/553000123.db2.gz	BOQPLAUTHCGLAV-NRUKRWIHSA-N	0	1	545.595	6.818	50	30		KKEAMN
COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CSc2nc3ccccc3s2)cc1	ZINC000008426514	553018613	/nfs/dbraw/zinc/01/86/13/553018613.db2.gz	UXQHGUPWCKBVAY-GDLZYMKVSA-N	0	1	555.725	7.240	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/c1c(-c2ccco2)nc2ccc(Cl)cn21	ZINC000008427602	553020223	/nfs/dbraw/zinc/02/02/23/553020223.db2.gz	CYBMQMILUNXGAS-GZIVZEMBSA-N	0	1	589.558	5.913	50	30		KKEAMN
CCN(CC)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(OC)cc2)cc1	ZINC000008432820	553027138	/nfs/dbraw/zinc/02/71/38/553027138.db2.gz	AHFGIUPSFMSOPO-WJOKGBTCSA-N	0	1	523.677	6.998	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1Cl)c1ccc(Br)cc1	ZINC000008439947	553036262	/nfs/dbraw/zinc/03/62/62/553036262.db2.gz	WGMCTADMNJJVJO-FQEVSTJZSA-N	0	1	536.731	6.904	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000008440101	553036438	/nfs/dbraw/zinc/03/64/38/553036438.db2.gz	ZSYZDHRWPRGCPK-WJOKGBTCSA-N	0	1	533.624	6.485	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1	ZINC000008440845	553038716	/nfs/dbraw/zinc/03/87/16/553038716.db2.gz	GZTLKCPGQIJVJN-AZGAKELHSA-N	0	1	548.433	5.785	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1O	ZINC000008441147	553039495	/nfs/dbraw/zinc/03/94/95/553039495.db2.gz	ARNGKNAOMGZCSL-QFIPXVFZSA-N	0	1	518.547	5.288	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccccc1	ZINC000008441206	553039806	/nfs/dbraw/zinc/03/98/06/553039806.db2.gz	GABZBWAMDYUSHL-QHCPKHFHSA-N	0	1	525.611	6.360	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccccc1F	ZINC000008441265	553040078	/nfs/dbraw/zinc/04/00/78/553040078.db2.gz	XEOVDIIBNWMQMX-HSZRJFAPSA-N	0	1	543.601	6.499	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1	ZINC000008441603	553041169	/nfs/dbraw/zinc/04/11/69/553041169.db2.gz	TUNXZACCWUKGNP-SANMLTNESA-N	0	1	503.551	5.398	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000008441654	553041437	/nfs/dbraw/zinc/04/14/37/553041437.db2.gz	RIJJXMAWOOXCEI-QHCPKHFHSA-N	0	1	535.408	7.441	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1	ZINC000008441763	553042214	/nfs/dbraw/zinc/04/22/14/553042214.db2.gz	OVMYEZKEGRYSKD-SSEXGKCCSA-N	0	1	515.565	6.790	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC	ZINC000008441751	553042263	/nfs/dbraw/zinc/04/22/63/553042263.db2.gz	GNMSVYBOOIBCOP-PMERELPUSA-N	0	1	612.704	7.802	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O	ZINC000008441785	553042349	/nfs/dbraw/zinc/04/23/49/553042349.db2.gz	ZGNHSNGTBBMWSE-LJAQVGFWSA-N	0	1	635.723	7.617	50	30		KKEAMN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1cccc(Br)c1	ZINC000008441819	553042507	/nfs/dbraw/zinc/04/25/07/553042507.db2.gz	INSGWHZXEZSEEC-QHCPKHFHSA-N	0	1	622.497	7.261	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1OCCC	ZINC000008444098	553049025	/nfs/dbraw/zinc/04/90/25/553049025.db2.gz	YRAMIVRCEXKZOZ-YQPGIBNTSA-N	0	1	552.715	7.965	50	30		KKEAMN
CCOc1ccccc1[C@H]1C2=C(C[C@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1	ZINC000008444112	553049274	/nfs/dbraw/zinc/04/92/74/553049274.db2.gz	HWUCENKIUWAWJC-XDCSYDRFSA-N	0	1	544.651	7.308	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2F)cc1	ZINC000008444278	553049755	/nfs/dbraw/zinc/04/97/55/553049755.db2.gz	ZZFDIIOKYITCBC-HKBQPEDESA-N	0	1	526.652	7.852	50	30		KKEAMN
COc1cccc([C@@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)c1	ZINC000008444381	553050162	/nfs/dbraw/zinc/05/01/62/553050162.db2.gz	KUZAOGPQXKIDEU-GPNASLBKSA-N	0	1	518.588	7.049	50	30		KKEAMN
COc1cccc([C@@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)c1	ZINC000008444374	553050171	/nfs/dbraw/zinc/05/01/71/553050171.db2.gz	KUZAOGPQXKIDEU-NRUKRWIHSA-N	0	1	518.588	7.049	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000008450780	553058981	/nfs/dbraw/zinc/05/89/81/553058981.db2.gz	CQARRPBVHYMDMO-WEZXKFLESA-N	0	1	572.658	6.040	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/c1ccc(Cc2ccncc2)cc1	ZINC000008453824	553066954	/nfs/dbraw/zinc/06/69/54/553066954.db2.gz	ZRDDVGOPMPJFRB-FSJBWODESA-N	0	1	540.142	5.338	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O	ZINC000008569220	553078032	/nfs/dbraw/zinc/07/80/32/553078032.db2.gz	PWYKMCJOMPTJQJ-AREMUKBSSA-N	0	1	500.526	5.232	50	30		KKEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F	ZINC000008567679	553078054	/nfs/dbraw/zinc/07/80/54/553078054.db2.gz	ZIPFJBKWMTUCIF-MUUNZHRXSA-N	0	1	541.579	5.278	50	30		KKEAMN
COc1ccc(NS(=O)(=O)c2cc(NC(=NS(=O)(=O)c3ccccc3)c3ccc(F)cc3)ccc2Cl)cc1	ZINC000008686787	553115939	/nfs/dbraw/zinc/11/59/39/553115939.db2.gz	GTERTOOLLCXWSZ-UHFFFAOYSA-N	0	1	574.055	5.536	50	30	aggregator	KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000008694692	553120391	/nfs/dbraw/zinc/12/03/91/553120391.db2.gz	AZMDRZOIKIKHJG-HXUWFJFHSA-N	0	1	570.262	6.604	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H]3c2cccs2)cc1	ZINC000008695561	553121906	/nfs/dbraw/zinc/12/19/06/553121906.db2.gz	WZCNTSYCLMAYNZ-WWOZWPLTSA-N	0	1	590.532	8.670	50	30		KKEAMN
COc1cc([C@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC	ZINC000008753229	553135361	/nfs/dbraw/zinc/13/53/61/553135361.db2.gz	JZKNWYQIRMPUSI-MJVKXCJRSA-N	0	1	616.758	8.224	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)Cc2ccccc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000008753269	553135696	/nfs/dbraw/zinc/13/56/96/553135696.db2.gz	FGNDYZKPCWKGSY-MUVVOIGYSA-N	0	1	604.703	6.864	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccc(Br)c2)cc1	ZINC000008775601	553142288	/nfs/dbraw/zinc/14/22/88/553142288.db2.gz	RWDWCJMJOVHZIH-SANMLTNESA-N	0	1	545.433	6.150	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccc(Br)c2)cc1	ZINC000008775596	553142400	/nfs/dbraw/zinc/14/24/00/553142400.db2.gz	RWDWCJMJOVHZIH-AREMUKBSSA-N	0	1	545.433	6.150	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1	ZINC000008817097	553152378	/nfs/dbraw/zinc/15/23/78/553152378.db2.gz	CEXRSWUHIXTHEW-QFIPXVFZSA-N	0	1	520.538	5.244	50	30		KKEAMN
COc1ccc(CCNC(=O)C(C#N)c2nc3ccccc3nc2N2CCC(Cc3ccccc3)CC2)cc1	ZINC000008836110	553162783	/nfs/dbraw/zinc/16/27/83/553162783.db2.gz	CENLXBPKHZZEHS-MHZLTWQESA-N	0	1	519.649	5.064	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C	ZINC000008836676	553163151	/nfs/dbraw/zinc/16/31/51/553163151.db2.gz	SEXSWBQPTIBYIW-FQEVSTJZSA-N	0	1	510.999	5.798	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(F)cc1	ZINC000008846359	553166058	/nfs/dbraw/zinc/16/60/58/553166058.db2.gz	DBOABUYSCPZZAG-JIYROHSKSA-N	0	1	512.625	7.315	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1cccnc1	ZINC000008846350	553166150	/nfs/dbraw/zinc/16/61/50/553166150.db2.gz	SGFYSGLIADLYHD-HPMVVLTCSA-N	0	1	521.705	7.860	50	30		KKEAMN
Fc1ccc(Nc2nc(N=NCc3ccc(-c4cccc(Cl)c4Cl)o3)nc(N3CCCCC3)n2)cc1	ZINC000008872967	553174650	/nfs/dbraw/zinc/17/46/50/553174650.db2.gz	ZINQLDZGOCTMCB-FDVSRXAVSA-N	0	1	526.403	6.757	50	30		KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC34CC5CC(CC(C5)C3)C4)[C@H]2c2cccc(Cl)c2)C1	ZINC000008892448	553176866	/nfs/dbraw/zinc/17/68/66/553176866.db2.gz	IYHIWNUXEBERCY-UVZMICEWSA-N	0	1	530.112	7.635	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000008893077	553177042	/nfs/dbraw/zinc/17/70/42/553177042.db2.gz	SJILFHRKTKJXMW-MHZLTWQESA-N	0	1	520.670	5.074	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000008901725	553182316	/nfs/dbraw/zinc/18/23/16/553182316.db2.gz	HBXMZNASBQWDKM-QFIPXVFZSA-N	0	1	506.967	5.750	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000008905332	553183684	/nfs/dbraw/zinc/18/36/84/553183684.db2.gz	LAGAEHJIWSIZLF-JOCHJYFZSA-N	0	1	506.536	5.088	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(OC)c1	ZINC000008916661	553186758	/nfs/dbraw/zinc/18/67/58/553186758.db2.gz	FIGNKWDRYFQGOP-HEIROHQZSA-N	0	1	529.080	7.830	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2)cc1	ZINC000008919185	553188795	/nfs/dbraw/zinc/18/87/95/553188795.db2.gz	PJASOWRYNXOEHB-OAQYLSRUSA-N	0	1	506.580	5.200	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Br)c2)cc1C	ZINC000008922207	553190070	/nfs/dbraw/zinc/19/00/70/553190070.db2.gz	RFQWTTGKSATXRV-QHCPKHFHSA-N	0	1	515.448	5.076	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Br)c2)cc1C	ZINC000008922207	553190071	/nfs/dbraw/zinc/19/00/71/553190071.db2.gz	RFQWTTGKSATXRV-QHCPKHFHSA-N	0	1	515.448	5.076	50	30		KKEAMN
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(OC)c(Br)c4)nc3c2)c1O	ZINC000008935016	553193221	/nfs/dbraw/zinc/19/32/21/553193221.db2.gz	NXJOCFVRFAABQU-BRJLIKDPSA-N	0	1	512.316	6.029	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000008964766	553194765	/nfs/dbraw/zinc/19/47/65/553194765.db2.gz	ZOOAIEZLCAMZFL-CHJDUVSTSA-N	0	1	510.590	5.792	50	30	biogenic	KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000008973900	553195530	/nfs/dbraw/zinc/19/55/30/553195530.db2.gz	HILLUZFCIUFNFG-HSZRJFAPSA-N	0	1	520.994	6.140	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc(OC)c3OC)sc2c1	ZINC000009008614	553199060	/nfs/dbraw/zinc/19/90/60/553199060.db2.gz	METGUHAPAYEERY-QFIPXVFZSA-N	0	1	520.563	5.397	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl	ZINC000009011985	553199832	/nfs/dbraw/zinc/19/98/32/553199832.db2.gz	JRDSMGABDMROBV-HEIROHQZSA-N	0	1	513.081	8.129	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000009012091	553199891	/nfs/dbraw/zinc/19/98/91/553199891.db2.gz	MEZMNOLDGUIJQP-HSZRJFAPSA-N	0	1	513.468	5.514	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000009019167	553200723	/nfs/dbraw/zinc/20/07/23/553200723.db2.gz	AAEYFBBGHJDNBK-LJAQVGFWSA-N	0	1	529.633	6.437	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OCC(C)C	ZINC000009020088	553201341	/nfs/dbraw/zinc/20/13/41/553201341.db2.gz	ZNLDHJXOJKZDER-NDEPHWFRSA-N	0	1	512.650	6.501	50	30		KKEAMN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Br)c2)sc1C	ZINC000009041127	553202234	/nfs/dbraw/zinc/20/22/34/553202234.db2.gz	SXUHVBXUZOTSBL-GOSISDBHSA-N	0	1	503.805	5.959	50	30		KKEAMN
CCCOc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CC)[C@H]2c1ccc(OC)cc1	ZINC000009041882	553202405	/nfs/dbraw/zinc/20/24/05/553202405.db2.gz	MJHZXZCGVYCEKR-KCEHZKJRSA-N	0	1	510.634	6.795	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1	ZINC000009043395	553202938	/nfs/dbraw/zinc/20/29/38/553202938.db2.gz	JQULZTSBYZYPQM-JOCHJYFZSA-N	0	1	503.511	5.743	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000009046338	553203766	/nfs/dbraw/zinc/20/37/66/553203766.db2.gz	RANIMPPFPPGAGJ-QHCPKHFHSA-N	0	1	524.415	5.103	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000009070434	553207093	/nfs/dbraw/zinc/20/70/93/553207093.db2.gz	QVEBURRQPHXAFU-QFIPXVFZSA-N	0	1	506.536	5.088	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000009110412	553210089	/nfs/dbraw/zinc/21/00/89/553210089.db2.gz	KVGYXAFVDDITRO-FQEVSTJZSA-N	0	1	502.286	6.251	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009123745	553212537	/nfs/dbraw/zinc/21/25/37/553212537.db2.gz	XKEHJZWZHCCZKQ-JOCHJYFZSA-N	0	1	502.548	5.384	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(OC)c2OC)cc1Cl	ZINC000009175814	553216209	/nfs/dbraw/zinc/21/62/09/553216209.db2.gz	OAFUMWCGVBPAFV-FQEVSTJZSA-N	0	1	514.987	5.222	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000009185134	553217017	/nfs/dbraw/zinc/21/70/17/553217017.db2.gz	MAWVTPXXPIUPOD-JOCHJYFZSA-N	0	1	502.523	5.313	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000009185028	553217069	/nfs/dbraw/zinc/21/70/69/553217069.db2.gz	HONSAICEINKHDN-MUUNZHRXSA-N	0	1	530.621	5.611	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccnc2)cc1	ZINC000009192933	553218960	/nfs/dbraw/zinc/21/89/60/553218960.db2.gz	WPCTYBLOLQIKOC-OAQYLSRUSA-N	0	1	500.605	5.317	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccc(OCc2ccccc2)c1	ZINC000009199446	553219929	/nfs/dbraw/zinc/21/99/29/553219929.db2.gz	DLTKWHOBOCRWBB-MGBGTMOVSA-N	0	1	522.689	7.989	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000009240104	553226138	/nfs/dbraw/zinc/22/61/38/553226138.db2.gz	JGCZZOKMRGONRC-HSZRJFAPSA-N	0	1	504.539	5.626	50	30		KKEAMN
O=C(Nc1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000009264243	553228880	/nfs/dbraw/zinc/22/88/80/553228880.db2.gz	ZMTLLOWRWUKORV-ACSYHNTCSA-N	0	1	509.993	7.539	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(Br)c2)cc1	ZINC000009271631	553231352	/nfs/dbraw/zinc/23/13/52/553231352.db2.gz	IVSYAGHANLVPPI-FQEVSTJZSA-N	0	1	513.413	5.704	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000009272315	553231767	/nfs/dbraw/zinc/23/17/67/553231767.db2.gz	ZHNYLSZQPINXHU-WVXBCFDCSA-N	0	1	522.601	5.792	50	30		KKEAMN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@@H]3c2cccnc2)cc1	ZINC000009272311	553231815	/nfs/dbraw/zinc/23/18/15/553231815.db2.gz	MBCOPNVYBJMEDN-FBZWXUMRSA-N	0	1	511.625	7.004	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000009280155	553232868	/nfs/dbraw/zinc/23/28/68/553232868.db2.gz	GSKVOQPNQDWYLT-LJQANCHMSA-N	0	1	511.353	5.443	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009280170	553233147	/nfs/dbraw/zinc/23/31/47/553233147.db2.gz	ABTBBOOURYHACK-JOCHJYFZSA-N	0	1	508.958	6.270	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)cc1	ZINC000009292442	553235097	/nfs/dbraw/zinc/23/50/97/553235097.db2.gz	YMLUIJLESPLTOD-LJAQVGFWSA-N	0	1	522.601	6.012	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000009292778	553235141	/nfs/dbraw/zinc/23/51/41/553235141.db2.gz	ZFKZQAFBBAFMGH-VKGTZQKMSA-N	0	1	528.605	5.371	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000009292829	553235347	/nfs/dbraw/zinc/23/53/47/553235347.db2.gz	PXDNLJQCWHHTAZ-VKGTZQKMSA-N	0	1	526.589	5.147	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(OC)c3OC)sc2c1	ZINC000009302124	553236220	/nfs/dbraw/zinc/23/62/20/553236220.db2.gz	YBZDPECCCBQMQD-FQEVSTJZSA-N	0	1	508.577	5.167	50	30		KKEAMN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(O)c2)cc1	ZINC000009308769	553237705	/nfs/dbraw/zinc/23/77/05/553237705.db2.gz	BZJUZTXWEWSHKQ-NDEPHWFRSA-N	0	1	506.558	5.453	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000009311875	553239825	/nfs/dbraw/zinc/23/98/25/553239825.db2.gz	XYKMRLJUXLLMPD-LGGPFLRQSA-N	0	1	511.618	6.358	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1	ZINC000009313027	553240973	/nfs/dbraw/zinc/24/09/73/553240973.db2.gz	AIPFDMSNWIOQEH-PBBNMVCDSA-N	0	1	511.618	6.213	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC	ZINC000009329204	553242248	/nfs/dbraw/zinc/24/22/48/553242248.db2.gz	KTHRUTZRWJENTO-AREMUKBSSA-N	0	1	520.582	5.742	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(Cl)c(Cl)c2)s1	ZINC000009329484	553242388	/nfs/dbraw/zinc/24/23/88/553242388.db2.gz	HNNJYIFHCVQULG-APBUJDDRSA-N	0	1	502.379	5.260	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000009354361	553246031	/nfs/dbraw/zinc/24/60/31/553246031.db2.gz	RSBVPKHOVNRWSP-OLILMLBXSA-N	0	1	525.601	5.752	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000009354351	553246037	/nfs/dbraw/zinc/24/60/37/553246037.db2.gz	RSBVPKHOVNRWSP-AFJIDDCJSA-N	0	1	525.601	5.752	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	ZINC000009357341	553246915	/nfs/dbraw/zinc/24/69/15/553246915.db2.gz	CHDTWOHWBIDZTA-HXUWFJFHSA-N	0	1	513.384	5.305	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000009358223	553247568	/nfs/dbraw/zinc/24/75/68/553247568.db2.gz	IKYOLTCLRRDVCK-JHOBJCJYSA-N	0	1	518.569	6.281	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000009359530	553247927	/nfs/dbraw/zinc/24/79/27/553247927.db2.gz	XZWSMVATWMCPHE-AREMUKBSSA-N	0	1	502.567	5.055	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OCc2ccccc2)cc1	ZINC000009371026	553250275	/nfs/dbraw/zinc/25/02/75/553250275.db2.gz	RANZMAZVGHIMHG-XIFFEERXSA-N	0	1	522.689	7.989	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC	ZINC000009375160	553251182	/nfs/dbraw/zinc/25/11/82/553251182.db2.gz	ZUQUDOKARGJMAK-DEOSSOPVSA-N	0	1	510.974	5.997	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000009380568	553251929	/nfs/dbraw/zinc/25/19/29/553251929.db2.gz	AWWUWWOQTRVMIZ-MHZLTWQESA-N	0	1	516.594	5.221	50	30		KKEAMN
CCCCC1S/C(=N/N=C/c2cc(Br)ccc2OC)N(Cc2ccc(OC)cc2)C1=O	ZINC000009424005	553258265	/nfs/dbraw/zinc/25/82/65/553258265.db2.gz	KFKKKQBDOZDTGA-DAMKXSJNSA-N	0	1	504.450	5.491	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccccc2F)s1	ZINC000009427380	553259855	/nfs/dbraw/zinc/25/98/55/553259855.db2.gz	RRTKXFUWDHQQHU-XMMPIXPASA-N	0	1	515.566	5.656	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1	ZINC000009451750	553265971	/nfs/dbraw/zinc/26/59/71/553265971.db2.gz	GFQCIVYTSJTUPH-VWLOTQADSA-N	0	1	500.507	5.255	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1	ZINC000009453791	553266109	/nfs/dbraw/zinc/26/61/09/553266109.db2.gz	YXILWLUQUMWMQM-LJAQVGFWSA-N	0	1	527.617	5.848	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000009460942	553267162	/nfs/dbraw/zinc/26/71/62/553267162.db2.gz	YIMUDZTWIAUXQA-FQEVSTJZSA-N	0	1	513.384	5.305	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(OC)c1	ZINC000009461354	553267543	/nfs/dbraw/zinc/26/75/43/553267543.db2.gz	XELXUCRCIVUNQJ-HHHXNRCGSA-N	0	1	501.579	5.197	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccs2)cc1	ZINC000009462349	553268274	/nfs/dbraw/zinc/26/82/74/553268274.db2.gz	QQPSLLOWFXLNTL-IBGZPJMESA-N	0	1	510.593	5.037	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccs2)cc1	ZINC000009462348	553268358	/nfs/dbraw/zinc/26/83/58/553268358.db2.gz	QQPSLLOWFXLNTL-LJQANCHMSA-N	0	1	510.593	5.037	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000009470879	553269763	/nfs/dbraw/zinc/26/97/63/553269763.db2.gz	UVJMEZNUZULDEJ-IVCQMTBJSA-N	0	1	508.401	6.138	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000009477523	553272442	/nfs/dbraw/zinc/27/24/42/553272442.db2.gz	VDOYSUNREOGKOQ-MUUNZHRXSA-N	0	1	525.004	6.401	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(Cl)cc3)cc2)c1	ZINC000009507909	553275956	/nfs/dbraw/zinc/27/59/56/553275956.db2.gz	VVAAFNCAKUZREJ-HHHXNRCGSA-N	0	1	513.977	6.599	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3cccc(Cl)c3)cc2)c1	ZINC000009507707	553275978	/nfs/dbraw/zinc/27/59/78/553275978.db2.gz	RDWMCVFEKJBWMM-XMMPIXPASA-N	0	1	517.006	6.467	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccccc3s2)cc1	ZINC000009601058	553286454	/nfs/dbraw/zinc/28/64/54/553286454.db2.gz	YPRBGGORIUNKEU-OAQYLSRUSA-N	0	1	504.951	5.519	50	30		KKEAMN
COc1cc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC	ZINC000009601769	553286997	/nfs/dbraw/zinc/28/69/97/553286997.db2.gz	ADSSJJCETHAQDM-KWMCUTETSA-N	0	1	514.578	5.616	50	30		KKEAMN
COc1cc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC	ZINC000009601770	553287031	/nfs/dbraw/zinc/28/70/31/553287031.db2.gz	ADSSJJCETHAQDM-WRHNGFHOSA-N	0	1	514.578	5.616	50	30		KKEAMN
N#Cc1ccccc1CSc1nc2c3ccccc3sc2c(=O)n1C1CCN(Cc2ccccc2)CC1	ZINC000009665236	553293472	/nfs/dbraw/zinc/29/34/72/553293472.db2.gz	HLWXNIOOGXWTTQ-UHFFFAOYSA-N	0	1	522.699	6.612	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000009993699	553324035	/nfs/dbraw/zinc/32/40/35/553324035.db2.gz	PYSUQUNUHDEDOH-GDLZYMKVSA-N	0	1	520.585	6.360	50	30		KKEAMN
C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2cc(OC)c(OC)cc2OC)CC1	ZINC000012209661	553354378	/nfs/dbraw/zinc/35/43/78/553354378.db2.gz	ZAIRIRYJSKZAQO-UHFFFAOYSA-N	0	1	529.106	5.815	50	30		KKEAMN
COc1ccccc1[C@@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)Cc1cccs1	ZINC000012652413	553410049	/nfs/dbraw/zinc/41/00/49/553410049.db2.gz	DBOUWILPLQGQAT-WWOZWPLTSA-N	0	1	510.615	6.493	50	30		KKEAMN
C[C@@H]1C[C@H](C)C[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cc(Br)cc4c2OCOC4)O3)C1	ZINC000013655245	553480493	/nfs/dbraw/zinc/48/04/93/553480493.db2.gz	NQXLLNZNYIGUAA-GNSIWFOTSA-N	0	1	500.389	5.115	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000013882122	553494179	/nfs/dbraw/zinc/49/41/79/553494179.db2.gz	YEFQGGDTEOUHGY-GTYOFVGBSA-N	0	1	509.606	7.076	50	30		KKEAMN
CCCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1CC	ZINC000014128050	553501171	/nfs/dbraw/zinc/50/11/71/553501171.db2.gz	VKZGIFJBOLWAOG-QUCCMNQESA-N	0	1	556.469	8.109	50	30		KKEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000016729903	553576118	/nfs/dbraw/zinc/57/61/18/553576118.db2.gz	UCDSTHJBBOJQSA-YWEHKCAJSA-N	0	1	537.653	5.666	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(OCCCC)c(OC)c2)cc1	ZINC000016729963	553576134	/nfs/dbraw/zinc/57/61/34/553576134.db2.gz	YRHDKANVVZVZMN-RBJSKKJNSA-N	0	1	537.653	5.810	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000016730286	553576505	/nfs/dbraw/zinc/57/65/05/553576505.db2.gz	IWQLOBGCBOXKES-LJQANCHMSA-N	0	1	514.962	5.512	50	30		KKEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl	ZINC000016733396	553578063	/nfs/dbraw/zinc/57/80/63/553578063.db2.gz	IAYUPRIRFFLILK-RUZDIDTESA-N	0	1	500.035	6.256	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000016734410	553578546	/nfs/dbraw/zinc/57/85/46/553578546.db2.gz	PQVLWHFMCABBEN-NDEPHWFRSA-N	0	1	507.542	6.415	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(OCCC)c2)cc1	ZINC000016737253	553579239	/nfs/dbraw/zinc/57/92/39/553579239.db2.gz	HDUGSZDHCKNATO-MHZLTWQESA-N	0	1	500.595	5.828	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2ccncc2)cc1	ZINC000016741410	553579760	/nfs/dbraw/zinc/57/97/60/553579760.db2.gz	RSOUSGPYFCGRLH-HHHXNRCGSA-N	0	1	516.594	5.446	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccncc3)s2)cc1	ZINC000016749904	553580610	/nfs/dbraw/zinc/58/06/10/553580610.db2.gz	KPCHFQAKDVFUQS-NRFANRHFSA-N	0	1	518.595	5.456	50	30		KKEAMN
COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc1COc1ccc(F)cc1	ZINC000016946046	553584491	/nfs/dbraw/zinc/58/44/91/553584491.db2.gz	CWVZIDPAWPDPDX-PMERELPUSA-N	0	1	514.597	6.576	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl	ZINC000018115296	553604717	/nfs/dbraw/zinc/60/47/17/553604717.db2.gz	POLJJJIQMJYCTQ-UKPGIYTDSA-N	0	1	517.044	7.960	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000018115666	553604781	/nfs/dbraw/zinc/60/47/81/553604781.db2.gz	DXBSAVMCHPDYLQ-PRAQEBQASA-N	0	1	517.025	6.668	50	30		KKEAMN
C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@@H]1[C@H](CN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C(=O)O[C@@H]1C2	ZINC000070687833	553607541	/nfs/dbraw/zinc/60/75/41/553607541.db2.gz	XYVTWDNTBKSHPD-LRLDGQJOSA-N	0	1	536.663	5.199	50	30	biogenic	KKEAMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H]2c2ccc(OCc3ccccc3)cc2)C1	ZINC000018181753	553608144	/nfs/dbraw/zinc/60/81/44/553608144.db2.gz	QUPFWULGAMVKLA-HHHXNRCGSA-N	0	1	520.551	6.971	50	30		KKEAMN
COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccc(F)cc2)c1	ZINC000018250729	553611513	/nfs/dbraw/zinc/61/15/13/553611513.db2.gz	LWWZDGPEXWLRMU-DWXRJYCRSA-N	0	1	510.487	6.297	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020232030	553617717	/nfs/dbraw/zinc/61/77/17/553617717.db2.gz	NDQSCDDXDKXELG-MUUNZHRXSA-N	0	1	514.622	5.113	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000019848113	553623651	/nfs/dbraw/zinc/62/36/51/553623651.db2.gz	CXADKESHBNYKDP-OYLFLEFRSA-N	0	1	524.595	5.218	50	30		KKEAMN
CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCC	ZINC000071788534	553639491	/nfs/dbraw/zinc/63/94/91/553639491.db2.gz	ZLGYVWRJIZPQMM-HHHXNRCGSA-N	0	1	579.756	7.376	50	30	in-vitro	KKEAMN
N#Cc1c(=O)[nH]c(-c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc43)cc2)cc1-c1ccc(Cl)cc1	ZINC000073411000	553653941	/nfs/dbraw/zinc/65/39/41/553653941.db2.gz	KZNANIOGPVFLQB-UHFFFAOYSA-N	0	1	516.910	7.545	50	30		KKEAMN
C=C(C)COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCC2)cc1OC	ZINC000085877826	553689382	/nfs/dbraw/zinc/68/93/82/553689382.db2.gz	UOATUAIEJUBYBT-UHFFFAOYSA-N	0	1	501.539	5.781	50	30	biogenic	KKEAMN
C=CCN1CC[C@@]23c4c5c(OC(=O)CCCCCCCCCCCCCCC)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@H]3O5	ZINC000085893482	553690334	/nfs/dbraw/zinc/69/03/34/553690334.db2.gz	NCPCVVREADBAPY-CVLIDWCKSA-N	0	1	565.795	6.983	50	30	biogenic	KKEAMN
C=CCN1CC[C@@]23c4c5c(OC(=O)CCCCCCCCCCCCCCC)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5	ZINC000085893479	553690412	/nfs/dbraw/zinc/69/04/12/553690412.db2.gz	NCPCVVREADBAPY-OGICNVKRSA-N	0	1	565.795	6.983	50	30	biogenic	KKEAMN
C=CCN1CC[C@@]23c4c5c(OC(=O)CCCCCCCCCCCC)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@H]3O5	ZINC000085893521	553690694	/nfs/dbraw/zinc/69/06/94/553690694.db2.gz	DUDUQJDKARDUEM-KLWPZSMLSA-N	0	1	523.714	5.812	50	30	biogenic	KKEAMN
C=C(C)COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1	ZINC000096115403	553725801	/nfs/dbraw/zinc/72/58/01/553725801.db2.gz	ZRIOLZJUVXEDQV-UHFFFAOYSA-N	0	1	513.594	6.943	50	30	biogenic	KKEAMN
COc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000097939647	553759959	/nfs/dbraw/zinc/75/99/59/553759959.db2.gz	XZRLNDZJAIVZRH-MYUZEXMDSA-N	0	1	576.627	5.354	50	30		KKEAMN
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@H]2c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1	ZINC000097939706	553760552	/nfs/dbraw/zinc/76/05/52/553760552.db2.gz	NWZXCVXQIKRQCP-CLYVBNDRSA-N	0	1	576.627	5.484	50	30		KKEAMN
COc1cccc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)c1	ZINC000097945712	553774100	/nfs/dbraw/zinc/77/41/00/553774100.db2.gz	WQGIJKUYLBKJIX-BNHRFMORSA-N	0	1	535.043	7.563	50	30		KKEAMN
CC(C)C(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000097945863	553775213	/nfs/dbraw/zinc/77/52/13/553775213.db2.gz	LLYWPZMAOVCHNV-GTYOFVGBSA-N	0	1	537.660	7.449	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000097948635	553795529	/nfs/dbraw/zinc/79/55/29/553795529.db2.gz	LFDZYHZYPREMLE-GZGVDWRWSA-N	0	1	588.714	9.484	50	30		KKEAMN
COc1cccc([C@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)c1	ZINC000097948761	553796514	/nfs/dbraw/zinc/79/65/14/553796514.db2.gz	RHKMZFQMEZWVBQ-MNAQKMTRSA-N	0	1	602.493	8.747	50	30		KKEAMN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000097948769	553796531	/nfs/dbraw/zinc/79/65/31/553796531.db2.gz	XHJQJUASFJJLER-PSTIOWGYSA-N	0	1	602.684	6.049	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]3c2ccc(F)cc2)cc1	ZINC000097948965	553798123	/nfs/dbraw/zinc/79/81/23/553798123.db2.gz	OAXKKUNHFQHJDU-BHNGRWRESA-N	0	1	622.693	7.383	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]3c2ccc(F)cc2)cc1	ZINC000097948968	553798241	/nfs/dbraw/zinc/79/82/41/553798241.db2.gz	OAXKKUNHFQHJDU-COOREUGTSA-N	0	1	622.693	7.383	50	30		KKEAMN
COc1ccc2nc(SCC(=O)N3c4ccccc4N=C4C[C@H](c5ccc(F)cc5)CC(=O)C4[C@@H]3c3cccc(OC)c3)[nH]c2c1	ZINC000097949047	553798721	/nfs/dbraw/zinc/79/87/21/553798721.db2.gz	RAZUVYCVHDHFDU-NMRUTFGKSA-N	0	1	634.733	7.412	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1	ZINC000097949032	553798775	/nfs/dbraw/zinc/79/87/75/553798775.db2.gz	KPNDUFPHUANICP-SXSCYYOBSA-N	0	1	633.188	8.937	50	30		KKEAMN
CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	ZINC000097949244	553800484	/nfs/dbraw/zinc/80/04/84/553800484.db2.gz	LOIMSBNQCOCWBD-UNHQYKRWSA-N	0	1	685.220	9.541	50	30		KKEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	ZINC000097951573	553809912	/nfs/dbraw/zinc/80/99/12/553809912.db2.gz	HNNFPGASZYCWFD-NDEPHWFRSA-N	0	1	535.556	5.656	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000097952441	553815730	/nfs/dbraw/zinc/81/57/30/553815730.db2.gz	IKQHRQKCDCTUIZ-HSZRJFAPSA-N	0	1	531.546	5.313	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000097952603	553816997	/nfs/dbraw/zinc/81/69/97/553816997.db2.gz	XBQSTCWTMSZQDB-MHZLTWQESA-N	0	1	524.529	5.854	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OCC	ZINC000097952932	553817706	/nfs/dbraw/zinc/81/77/06/553817706.db2.gz	HQIXXXBFSVOSFC-LJAQVGFWSA-N	0	1	543.616	5.814	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000097952680	553817735	/nfs/dbraw/zinc/81/77/35/553817735.db2.gz	QKYMKXVWFSRODM-MUUNZHRXSA-N	0	1	544.604	5.209	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097952987	553818524	/nfs/dbraw/zinc/81/85/24/553818524.db2.gz	JEMWRNRAEAPMDT-GDLZYMKVSA-N	0	1	541.600	5.242	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1	ZINC000097953989	553820473	/nfs/dbraw/zinc/82/04/73/553820473.db2.gz	XPRAVUIGZNMGIS-LJAQVGFWSA-N	0	1	548.595	5.534	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OC	ZINC000097953995	553820526	/nfs/dbraw/zinc/82/05/26/553820526.db2.gz	HTVSRSOYLYIHDI-GDLZYMKVSA-N	0	1	543.616	5.814	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097954004	553820680	/nfs/dbraw/zinc/82/06/80/553820680.db2.gz	ZMDCQHHISBEVJV-IIMAJNMQSA-N	0	1	532.596	5.763	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OCC	ZINC000097954151	553821574	/nfs/dbraw/zinc/82/15/74/553821574.db2.gz	MBAPXEGTLPWMMI-OLILMLBXSA-N	0	1	545.632	6.349	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000097954694	553824688	/nfs/dbraw/zinc/82/46/88/553824688.db2.gz	BXFNEQMPROENDU-MHZLTWQESA-N	0	1	534.609	5.988	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097955157	553829147	/nfs/dbraw/zinc/82/91/47/553829147.db2.gz	GJHVHEAQXNVGJE-JRPXNJEYSA-N	0	1	541.644	6.019	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000097955209	553829871	/nfs/dbraw/zinc/82/98/71/553829871.db2.gz	JRSAYIUCLRXWRK-MUUNZHRXSA-N	0	1	544.604	5.209	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000097955282	553830715	/nfs/dbraw/zinc/83/07/15/553830715.db2.gz	CLJYVZNARKAVQD-SHACYNPGSA-N	0	1	533.005	6.065	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000097955617	553832036	/nfs/dbraw/zinc/83/20/36/553832036.db2.gz	WMGDDBWGNABGNP-ODCWNRFASA-N	0	1	547.032	6.455	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccncc2)[C@H]1c1cccc(OCc2ccccc2)c1	ZINC000097956709	553841142	/nfs/dbraw/zinc/84/11/42/553841142.db2.gz	XJISNQOQOJPWLD-LJAQVGFWSA-N	0	1	534.568	5.210	50	30		KKEAMN
COc1ccc(CN2C(=O)/C(=C/c3cc(Br)c(O)c(I)c3)S/C2=N\c2ccccc2)cc1	ZINC000097960083	553868072	/nfs/dbraw/zinc/86/80/72/553868072.db2.gz	HLEVVXZKWXKFDO-BXHPTCRHSA-N	0	1	621.294	6.572	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2CCCn2ccnc2)ccc1O	ZINC000097966750	553910023	/nfs/dbraw/zinc/91/00/23/553910023.db2.gz	FORSEMNXOQCWEV-GDLZYMKVSA-N	0	1	553.615	5.153	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000097967097	553913869	/nfs/dbraw/zinc/91/38/69/553913869.db2.gz	VJOIBDUYMQIKCH-GDLZYMKVSA-N	0	1	548.724	5.628	50	30		KKEAMN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1	ZINC000097967182	553914708	/nfs/dbraw/zinc/91/47/08/553914708.db2.gz	IUXOETNYSHBMNB-JGCGQSQUSA-N	0	1	562.666	6.506	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1	ZINC000097967220	553915284	/nfs/dbraw/zinc/91/52/84/553915284.db2.gz	NULXDRBPBRHLMK-PVAZPRTOSA-N	0	1	575.661	6.419	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000097967213	553915293	/nfs/dbraw/zinc/91/52/93/553915293.db2.gz	ACDQGJAYPDPCRM-KCEHZKJRSA-N	0	1	561.634	6.376	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1	ZINC000097967241	553915770	/nfs/dbraw/zinc/91/57/70/553915770.db2.gz	OWCZTBZZPCETNO-SSEXGKCCSA-N	0	1	606.656	7.041	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000097967279	553916227	/nfs/dbraw/zinc/91/62/27/553916227.db2.gz	DZQMKVZQHDQYQY-LMKMVOKYSA-N	0	1	589.670	6.084	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097967298	553916305	/nfs/dbraw/zinc/91/63/05/553916305.db2.gz	PATINVOWOKZNQQ-ADXZGYQBSA-N	0	1	678.232	7.778	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000097967481	553918896	/nfs/dbraw/zinc/91/88/96/553918896.db2.gz	JPOXTEIXQAKOMZ-URAOTHONSA-N	0	1	556.659	6.151	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000097967542	553919649	/nfs/dbraw/zinc/91/96/49/553919649.db2.gz	HISILXPXQOTWLV-KEEVHDRGSA-N	0	1	692.259	8.168	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O	ZINC000097967527	553919778	/nfs/dbraw/zinc/91/97/78/553919778.db2.gz	ZPMIYTGVFDGHRW-MYODQAERSA-N	0	1	627.900	6.533	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000097967539	553919818	/nfs/dbraw/zinc/91/98/18/553919818.db2.gz	HISILXPXQOTWLV-WENCNXQZSA-N	0	1	692.259	8.168	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097967607	553920701	/nfs/dbraw/zinc/92/07/01/553920701.db2.gz	YFLJRCRWEHLJFX-AFJIDDCJSA-N	0	1	645.778	7.501	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C	ZINC000097967617	553921149	/nfs/dbraw/zinc/92/11/49/553921149.db2.gz	MSGYGRNGFPCIAK-XUSGNXJCSA-N	0	1	629.485	5.211	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1	ZINC000097967682	553921748	/nfs/dbraw/zinc/92/17/48/553921748.db2.gz	WPEBPSGZKKPAGL-SSEXGKCCSA-N	0	1	630.719	6.683	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000097967819	553923643	/nfs/dbraw/zinc/92/36/43/553923643.db2.gz	FWQHMKPIXDIPLQ-HSZRJFAPSA-N	0	1	646.961	7.345	50	30		KKEAMN
CCOC(=O)c1c(/N=C/c2cc(Br)cc(Br)c2O)sc2c1CCN(Cc1ccccc1)C2	ZINC000033353285	553924156	/nfs/dbraw/zinc/92/41/56/553924156.db2.gz	PGVDKVPYESUCEH-KKMKTNMSSA-N	0	1	578.326	6.464	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC	ZINC000097967889	553924880	/nfs/dbraw/zinc/92/48/80/553924880.db2.gz	RRCSXHKNYCYNCU-VWLOTQADSA-N	0	1	578.643	5.396	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000097967890	553924962	/nfs/dbraw/zinc/92/49/62/553924962.db2.gz	RHXPHZLYLMAJNT-MUUNZHRXSA-N	0	1	643.743	6.348	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097967924	553925390	/nfs/dbraw/zinc/92/53/90/553925390.db2.gz	NNYRPFRHBMAJDH-PMERELPUSA-N	0	1	708.258	8.006	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000097967945	553925453	/nfs/dbraw/zinc/92/54/53/553925453.db2.gz	INNULSKXRJOIHE-SSEXGKCCSA-N	0	1	708.258	8.006	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000097967968	553925602	/nfs/dbraw/zinc/92/56/02/553925602.db2.gz	SRQXLHYNTGSNKG-QHCPKHFHSA-N	0	1	630.506	6.830	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000097967965	553925864	/nfs/dbraw/zinc/92/58/64/553925864.db2.gz	WODLKXMAWUSWBT-HSZRJFAPSA-N	0	1	596.061	6.177	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000097967985	553926077	/nfs/dbraw/zinc/92/60/77/553926077.db2.gz	VGQJLTLQXBEQBN-UUWRZZSWSA-N	0	1	723.873	8.505	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097967995	553926086	/nfs/dbraw/zinc/92/60/86/553926086.db2.gz	DBRZIJQTLFVCMZ-SANMLTNESA-N	0	1	619.696	6.312	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000097968025	553926612	/nfs/dbraw/zinc/92/66/12/553926612.db2.gz	IOYMXDUSHLXLET-HSZRJFAPSA-N	0	1	578.071	6.038	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000097968067	553926929	/nfs/dbraw/zinc/92/69/29/553926929.db2.gz	GXCYNRVWAYZCIF-DEOSSOPVSA-N	0	1	608.097	6.047	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000097968065	553927012	/nfs/dbraw/zinc/92/70/12/553927012.db2.gz	WSOFNDMMPXWPNK-NDEPHWFRSA-N	0	1	663.749	6.711	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097968057	553927069	/nfs/dbraw/zinc/92/70/69/553927069.db2.gz	BZVAKFLIKXDIKU-PMERELPUSA-N	0	1	691.803	7.491	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000097968094	553927575	/nfs/dbraw/zinc/92/75/75/553927575.db2.gz	GEWMAJFXGGTLMA-HHHXNRCGSA-N	0	1	628.131	7.191	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097968129	553927872	/nfs/dbraw/zinc/92/78/72/553927872.db2.gz	PBHQDNYFMDEVKP-NDEPHWFRSA-N	0	1	629.760	6.954	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1	ZINC000097968145	553928315	/nfs/dbraw/zinc/92/83/15/553928315.db2.gz	MVXYXUFQMWNOSH-VWLOTQADSA-N	0	1	615.689	5.480	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000097968136	553928440	/nfs/dbraw/zinc/92/84/40/553928440.db2.gz	WDSYBBCGYMQJDO-MUUNZHRXSA-N	0	1	647.750	7.093	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000097968214	553929093	/nfs/dbraw/zinc/92/90/93/553929093.db2.gz	WOMQDJRIBDVRQM-HSZRJFAPSA-N	0	1	596.061	6.177	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1	ZINC000097968220	553929111	/nfs/dbraw/zinc/92/91/11/553929111.db2.gz	GXTGLEXZEVHBKH-JGCGQSQUSA-N	0	1	711.793	7.501	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097968195	553929147	/nfs/dbraw/zinc/92/91/47/553929147.db2.gz	VRPMESVZMZDYCU-NDEPHWFRSA-N	0	1	698.650	8.116	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000097968239	553929646	/nfs/dbraw/zinc/92/96/46/553929646.db2.gz	NHTVTTIVFVBWIL-IZHWHUGBSA-N	0	1	594.089	6.729	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000097968265	553929923	/nfs/dbraw/zinc/92/99/23/553929923.db2.gz	JGABDXVDFVQRKG-DEOSSOPVSA-N	0	1	573.652	5.393	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C	ZINC000097968330	553930797	/nfs/dbraw/zinc/93/07/97/553930797.db2.gz	GFBSCROUDFEXJT-VWLOTQADSA-N	0	1	562.644	5.633	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@H]3c2ccc(F)cc2)cc1	ZINC000033354707	553930900	/nfs/dbraw/zinc/93/09/00/553930900.db2.gz	CJVQAHSAWKYOOD-HEIROHQZSA-N	0	1	553.033	7.702	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000097968381	553931400	/nfs/dbraw/zinc/93/14/00/553931400.db2.gz	OLDFETPQTWZVCQ-QJWGWKRISA-N	0	1	716.668	8.823	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000097968437	553932446	/nfs/dbraw/zinc/93/24/46/553932446.db2.gz	CHDCRFVMAUAFHG-NDEPHWFRSA-N	0	1	663.749	6.711	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4cc(OC)c(OC)c(OC)c4)C3)[C@H]2c2cccc(F)c2)cc(OC)c1OC	ZINC000033355183	553933492	/nfs/dbraw/zinc/93/34/92/553933492.db2.gz	SHBHLLGDUVTMBM-GJRHBRKLSA-N	0	1	668.718	7.092	50	30		KKEAMN
Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000097968785	553934317	/nfs/dbraw/zinc/93/43/17/553934317.db2.gz	ULWYYPBIFOCBNK-SSEXGKCCSA-N	0	1	540.660	5.183	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O	ZINC000033355646	553935749	/nfs/dbraw/zinc/93/57/49/553935749.db2.gz	GMCUHKJVWDYORJ-HFJWLAOPSA-N	0	1	546.601	5.476	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000097969225	553938324	/nfs/dbraw/zinc/93/83/24/553938324.db2.gz	MBVPNRQPYLXGBK-MHZLTWQESA-N	0	1	644.702	5.934	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097969263	553938721	/nfs/dbraw/zinc/93/87/21/553938721.db2.gz	FLXMOMVRKGMXGF-LGGPFLRQSA-N	0	1	627.788	7.506	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000097969296	553939188	/nfs/dbraw/zinc/93/91/88/553939188.db2.gz	WUUBQBIYFDFACY-NGOKVRLYSA-N	0	1	613.761	7.116	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)s2)cc1	ZINC000097969301	553939243	/nfs/dbraw/zinc/93/92/43/553939243.db2.gz	ZBWYUCRNHVOJPS-CRICUBBOSA-N	0	1	573.671	6.384	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC	ZINC000097969297	553939398	/nfs/dbraw/zinc/93/93/98/553939398.db2.gz	KRRUGKLDGCKFSV-MUUNZHRXSA-N	0	1	602.665	6.047	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1	ZINC000097969361	553940252	/nfs/dbraw/zinc/94/02/52/553940252.db2.gz	VUOXJNAFLMSOLU-NPMABZOXSA-N	0	1	581.875	6.819	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000097969394	553940325	/nfs/dbraw/zinc/94/03/25/553940325.db2.gz	NXKOVFJGOJPYMD-UDNBHOFDSA-N	0	1	569.698	6.655	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1	ZINC000097969501	553941577	/nfs/dbraw/zinc/94/15/77/553941577.db2.gz	CEQQSJHFERKWOX-LJAQVGFWSA-N	0	1	561.078	5.528	50	30		KKEAMN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000097969537	553942280	/nfs/dbraw/zinc/94/22/80/553942280.db2.gz	VGZMDPAGXGHGCR-AREMUKBSSA-N	0	1	561.506	5.637	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000097969573	553942669	/nfs/dbraw/zinc/94/26/69/553942669.db2.gz	KIZXGUVWZCHUBG-GDLZYMKVSA-N	0	1	558.631	5.599	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000097969781	553944942	/nfs/dbraw/zinc/94/49/42/553944942.db2.gz	MURYTZLSDOZNHE-WYOOIXGGSA-N	0	1	677.848	8.515	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000097969824	553945406	/nfs/dbraw/zinc/94/54/06/553945406.db2.gz	OWHLHBIBEKTIQW-QLXKLKPCSA-N	0	1	620.152	6.989	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000097969854	553945993	/nfs/dbraw/zinc/94/59/93/553945993.db2.gz	VLOZWWNIBNGGET-WENCNXQZSA-N	0	1	692.259	8.168	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000097969869	553946398	/nfs/dbraw/zinc/94/63/98/553946398.db2.gz	NPFCICMACHFHJY-WJOKGBTCSA-N	0	1	552.199	9.708	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000097969936	553947320	/nfs/dbraw/zinc/94/73/20/553947320.db2.gz	QPJGNPJEKWYLAM-LMKMVOKYSA-N	0	1	617.680	5.862	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000097970088	553949596	/nfs/dbraw/zinc/94/95/96/553949596.db2.gz	ZNGDINUGIZESKQ-SONOPUAISA-N	0	1	649.750	6.877	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000097970122	553949870	/nfs/dbraw/zinc/94/98/70/553949870.db2.gz	DEDRDSFMKAOMOW-UZTOHYMASA-N	0	1	599.734	6.644	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C	ZINC000097970179	553950387	/nfs/dbraw/zinc/95/03/87/553950387.db2.gz	KVDBZCQTBICYFG-VWLOTQADSA-N	0	1	592.670	5.607	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000097970191	553950876	/nfs/dbraw/zinc/95/08/76/553950876.db2.gz	OHNHVGRDRMNJPG-BGOLNKOXSA-N	0	1	689.831	8.044	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000097970218	553951231	/nfs/dbraw/zinc/95/12/31/553951231.db2.gz	XDUHDAMLSZHPOU-SONOPUAISA-N	0	1	696.678	8.813	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1	ZINC000097970248	553951558	/nfs/dbraw/zinc/95/15/58/553951558.db2.gz	MHLZOTAOWYRUMM-HMILPKGGSA-N	0	1	631.751	7.255	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C	ZINC000097970308	553952444	/nfs/dbraw/zinc/95/24/44/553952444.db2.gz	QRXDUXYNRKKYKY-NDEPHWFRSA-N	0	1	624.671	5.927	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C	ZINC000097970307	553952583	/nfs/dbraw/zinc/95/25/83/553952583.db2.gz	QRXDUXYNRKKYKY-MUUNZHRXSA-N	0	1	624.671	5.927	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097970346	553952925	/nfs/dbraw/zinc/95/29/25/553952925.db2.gz	OSIXMIRGXPJXFD-MYUZEXMDSA-N	0	1	634.179	7.379	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000097970348	553952931	/nfs/dbraw/zinc/95/29/31/553952931.db2.gz	OSIXMIRGXPJXFD-CLYVBNDRSA-N	0	1	634.179	7.379	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C	ZINC000097970396	553953234	/nfs/dbraw/zinc/95/32/34/553953234.db2.gz	VOAKPGBMCMJGTG-SSEXGKCCSA-N	0	1	557.643	5.712	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC	ZINC000097970383	553953331	/nfs/dbraw/zinc/95/33/31/553953331.db2.gz	BPQRJPOIVLJXGC-PMERELPUSA-N	0	1	630.719	6.827	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC	ZINC000097970382	553953391	/nfs/dbraw/zinc/95/33/91/553953391.db2.gz	BPQRJPOIVLJXGC-SSEXGKCCSA-N	0	1	630.719	6.827	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000097970462	553954599	/nfs/dbraw/zinc/95/45/99/553954599.db2.gz	BRPKTQXYDFBSKG-SMSORMJASA-N	0	1	573.690	5.843	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OCC)cc2)nc1C	ZINC000097970636	553956676	/nfs/dbraw/zinc/95/66/76/553956676.db2.gz	WHAPRQVNYBETND-LJAQVGFWSA-N	0	1	624.715	6.863	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OCC)cc2)nc1C	ZINC000097970635	553956682	/nfs/dbraw/zinc/95/66/82/553956682.db2.gz	WHAPRQVNYBETND-GDLZYMKVSA-N	0	1	624.715	6.863	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2	ZINC000097970650	553957175	/nfs/dbraw/zinc/95/71/75/553957175.db2.gz	QAXDMWSCTJDGAS-JOCHJYFZSA-N	0	1	583.847	6.266	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C	ZINC000097970721	553957884	/nfs/dbraw/zinc/95/78/84/553957884.db2.gz	IETXFNQHGFZMEB-UKPGIYTDSA-N	0	1	706.286	8.414	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C	ZINC000097970730	553957953	/nfs/dbraw/zinc/95/79/53/553957953.db2.gz	SOYMKGATFRQZAA-URAOTHONSA-N	0	1	556.659	6.007	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000097970946	553959585	/nfs/dbraw/zinc/95/95/85/553959585.db2.gz	VBBYEDRFOMDYGO-DFXYEROKSA-N	0	1	556.659	6.151	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000097970920	553959650	/nfs/dbraw/zinc/95/96/50/553959650.db2.gz	WBRYZUKEBRXREE-GDLZYMKVSA-N	0	1	595.523	6.181	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000097970959	553959921	/nfs/dbraw/zinc/95/99/21/553959921.db2.gz	MXPAMLPHAJMDDF-WKRVVKTRSA-N	0	1	555.671	6.409	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000097971005	553960295	/nfs/dbraw/zinc/96/02/95/553960295.db2.gz	CEBSPPRAJLXWHM-SANMLTNESA-N	0	1	647.547	7.061	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000097970981	553960328	/nfs/dbraw/zinc/96/03/28/553960328.db2.gz	SWWMGYQBJVKDFO-SANMLTNESA-N	0	1	603.096	6.952	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000097971019	553960632	/nfs/dbraw/zinc/96/06/32/553960632.db2.gz	YGUQMPGYUPUWJU-YTTGMZPUSA-N	0	1	582.741	6.172	50	30		KKEAMN
CCCCCCCCOc1cccc(OCC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c1	ZINC000097983797	554011921	/nfs/dbraw/zinc/01/19/21/554011921.db2.gz	SLCVXBPHSRHKBV-UHFFFAOYSA-N	0	1	540.682	6.253	50	30		KKEAMN
CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1	ZINC000097999810	554046196	/nfs/dbraw/zinc/04/61/96/554046196.db2.gz	PJFQQNJBNZRYTK-ZSQPVGNWSA-N	0	1	623.149	8.247	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000098000285	554049854	/nfs/dbraw/zinc/04/98/54/554049854.db2.gz	HAMHICGBAONEIL-NBLPZQPVSA-N	0	1	570.686	6.668	50	30		KKEAMN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000098000284	554049908	/nfs/dbraw/zinc/04/99/08/554049908.db2.gz	HAMHICGBAONEIL-KATKFWMUSA-N	0	1	570.686	6.668	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)cc1	ZINC000098000313	554050289	/nfs/dbraw/zinc/05/02/89/554050289.db2.gz	KFHIYXQKPYEBNI-GUZYMRFCSA-N	0	1	556.662	6.925	50	30		KKEAMN
COc1cccc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1	ZINC000098003640	554055666	/nfs/dbraw/zinc/05/56/66/554055666.db2.gz	HFWGGMFQMKEJNU-XKWLHOGNSA-N	0	1	604.703	7.244	50	30		KKEAMN
CCCCCC(=O)Oc1cccc([C@@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)CCCCC)c1	ZINC000098003663	554055676	/nfs/dbraw/zinc/05/56/76/554055676.db2.gz	ZHVBDCYYEBXFPA-ZTUXGFDNSA-N	0	1	613.198	9.307	50	30		KKEAMN
COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cc(OC)c(OC)c(OC)c4)[C@H]3c3ccccc3Cl)C2)cc1	ZINC000098003642	554055701	/nfs/dbraw/zinc/05/57/01/554055701.db2.gz	XAVGEGVDXFOCSG-JXNPFXPLSA-N	0	1	625.121	7.589	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccc(Cl)cc4)C3)[C@H]2c2ccc(F)cc2)cc(OC)c1OC	ZINC000098003647	554055734	/nfs/dbraw/zinc/05/57/34/554055734.db2.gz	JHUWBRMIAWMIAU-DHYKOVJISA-N	0	1	613.085	7.719	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccc(Cl)cc4)C3)[C@H]2c2ccc(F)cc2)cc(OC)c1OC	ZINC000098003649	554055800	/nfs/dbraw/zinc/05/58/00/554055800.db2.gz	JHUWBRMIAWMIAU-ULKXQASOSA-N	0	1	613.085	7.719	50	30		KKEAMN
COc1ccc(-c2csc(C3=C(N)N(N=Cc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)CC3=O)n2)cc1	ZINC000035686400	554063216	/nfs/dbraw/zinc/06/32/16/554063216.db2.gz	UURFZURRNZHBFO-XAZZYMPDSA-N	0	1	518.683	5.665	50	30		KKEAMN
COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccc(C)cc4)C3)[C@@H]2c2cccc(Br)c2)cc(OC)c1OC	ZINC000098045242	554131289	/nfs/dbraw/zinc/13/12/89/554131289.db2.gz	MVQGIUXJCBTBCJ-WOPWWUTRSA-N	0	1	653.573	7.998	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(F)c2)cc1	ZINC000098046443	554138961	/nfs/dbraw/zinc/13/89/61/554138961.db2.gz	CHSCVLUOOCISRL-VWLOTQADSA-N	0	1	575.687	6.931	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000098046486	554139965	/nfs/dbraw/zinc/13/99/65/554139965.db2.gz	BHSWADAYPFUYAB-RUZDIDTESA-N	0	1	610.132	7.585	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000098046490	554140005	/nfs/dbraw/zinc/14/00/05/554140005.db2.gz	PYEFWAUTOVLGCH-XMMPIXPASA-N	0	1	612.104	6.813	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000098046662	554141988	/nfs/dbraw/zinc/14/19/88/554141988.db2.gz	OMQBYGWVLXTHBT-NRFANRHFSA-N	0	1	551.577	5.108	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000098046638	554142028	/nfs/dbraw/zinc/14/20/28/554142028.db2.gz	KSCFUIGABHQALK-FQEVSTJZSA-N	0	1	568.677	5.834	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(Br)c3)cc2)c1	ZINC000098046672	554142420	/nfs/dbraw/zinc/14/24/20/554142420.db2.gz	WWHPPZAFKIXGHO-NDEPHWFRSA-N	0	1	569.455	6.510	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)s1	ZINC000098046701	554142819	/nfs/dbraw/zinc/14/28/19/554142819.db2.gz	PGPJTLJZIMDHHA-SSEXGKCCSA-N	0	1	589.673	7.309	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc(Oc4ccccc4)c3)cc2)c1	ZINC000098046699	554142869	/nfs/dbraw/zinc/14/28/69/554142869.db2.gz	CIRUTOTVLDESLO-UUWRZZSWSA-N	0	1	582.656	7.540	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)c(C)c1	ZINC000098047051	554146089	/nfs/dbraw/zinc/14/60/89/554146089.db2.gz	XOTCKXSCVGPBTK-NRFANRHFSA-N	0	1	541.025	5.772	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(O)cc2)cc1F	ZINC000098047237	554147968	/nfs/dbraw/zinc/14/79/68/554147968.db2.gz	GDXKHTHUIUZHTR-AREMUKBSSA-N	0	1	583.666	6.920	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccs2)cc1F	ZINC000098047239	554148354	/nfs/dbraw/zinc/14/83/54/554148354.db2.gz	IICSRHYYLFUVJF-XMMPIXPASA-N	0	1	573.696	7.276	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1F	ZINC000098047242	554148465	/nfs/dbraw/zinc/14/84/65/554148465.db2.gz	UMQRQJREORCZEH-SANMLTNESA-N	0	1	612.664	7.122	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(O)cc2)cc1F	ZINC000098047238	554148485	/nfs/dbraw/zinc/14/84/85/554148485.db2.gz	GDXKHTHUIUZHTR-SANMLTNESA-N	0	1	583.666	6.920	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(O)c(OC)c2)cc1F	ZINC000098047272	554148913	/nfs/dbraw/zinc/14/89/13/554148913.db2.gz	QXUUWWKNXFRSSJ-MHZLTWQESA-N	0	1	629.691	6.628	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000098047305	554149151	/nfs/dbraw/zinc/14/91/51/554149151.db2.gz	PYXXIYCIDUVMRH-HHHXNRCGSA-N	0	1	617.749	6.809	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000098047340	554149649	/nfs/dbraw/zinc/14/96/49/554149649.db2.gz	SQQJPUYUWKIEGA-WJOKGBTCSA-N	0	1	667.784	8.724	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000098047349	554149652	/nfs/dbraw/zinc/14/96/52/554149652.db2.gz	IWYXEXXMJVOLMG-MHZLTWQESA-N	0	1	635.739	6.949	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000098047357	554149676	/nfs/dbraw/zinc/14/96/76/554149676.db2.gz	PTWBRFSRVYCJLL-HKBQPEDESA-N	0	1	684.239	9.238	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCC)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000098047443	554150963	/nfs/dbraw/zinc/15/09/63/554150963.db2.gz	SCVQCIRACJXZAH-QHCPKHFHSA-N	0	1	567.063	6.328	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCCC)cc2)cc1	ZINC000098047421	554150967	/nfs/dbraw/zinc/15/09/67/554150967.db2.gz	HHLJAFVNDMXFRF-NDEPHWFRSA-N	0	1	633.767	7.720	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000098047466	554151456	/nfs/dbraw/zinc/15/14/56/554151456.db2.gz	BSGQBJRBKLSKTH-JGCGQSQUSA-N	0	1	698.266	9.025	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000098047509	554151696	/nfs/dbraw/zinc/15/16/96/554151696.db2.gz	XRZGQHXLAUBECL-AREMUKBSSA-N	0	1	650.178	7.232	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OC	ZINC000098047499	554151703	/nfs/dbraw/zinc/15/17/03/554151703.db2.gz	XHJKVJKVUISHKB-MUUNZHRXSA-N	0	1	634.751	6.800	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000098047491	554151798	/nfs/dbraw/zinc/15/17/98/554151798.db2.gz	QLOYZZBRQPVIPV-HSZRJFAPSA-N	0	1	578.643	5.377	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OC	ZINC000098047503	554151842	/nfs/dbraw/zinc/15/18/42/554151842.db2.gz	GTPNYNQOBIBJLD-GDLZYMKVSA-N	0	1	661.777	7.505	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccccc2F)cc1	ZINC000098047613	554153602	/nfs/dbraw/zinc/15/36/02/554153602.db2.gz	FOCQYMYLNIKFEL-RUZDIDTESA-N	0	1	593.677	7.070	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000098047624	554153668	/nfs/dbraw/zinc/15/36/68/554153668.db2.gz	DUIUQBSRWUFXNQ-YTTGMZPUSA-N	0	1	705.874	8.899	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000098047657	554153898	/nfs/dbraw/zinc/15/38/98/554153898.db2.gz	WVGLVAZVINLUGC-AREMUKBSSA-N	0	1	615.733	6.579	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1	ZINC000098047634	554153927	/nfs/dbraw/zinc/15/39/27/554153927.db2.gz	XQDRIVMCZCZUGG-NDEPHWFRSA-N	0	1	636.767	7.168	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000098047647	554153967	/nfs/dbraw/zinc/15/39/67/554153967.db2.gz	XJPWRNLEOMYDTM-RUZDIDTESA-N	0	1	620.684	6.840	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047723	554155020	/nfs/dbraw/zinc/15/50/20/554155020.db2.gz	IQCIFSBJYXWLFJ-SSEXGKCCSA-N	0	1	655.773	8.093	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047735	554155268	/nfs/dbraw/zinc/15/52/68/554155268.db2.gz	XLKVBCMLPBEELP-HHHXNRCGSA-N	0	1	613.692	6.923	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047786	554155800	/nfs/dbraw/zinc/15/58/00/554155800.db2.gz	BAULOLQFZLULCL-LJAQVGFWSA-N	0	1	639.755	7.182	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1OC	ZINC000098047807	554156158	/nfs/dbraw/zinc/15/61/58/554156158.db2.gz	FMPLMMDLHAIDCC-MGBGTMOVSA-N	0	1	687.799	8.576	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(O)cc2)cc1OC	ZINC000098047804	554156290	/nfs/dbraw/zinc/15/62/90/554156290.db2.gz	LSGFQAXKPDRSOL-MHZLTWQESA-N	0	1	611.701	6.489	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098047840	554156581	/nfs/dbraw/zinc/15/65/81/554156581.db2.gz	YAUOAKWJPBXHIK-HKBQPEDESA-N	0	1	653.801	8.783	50	30		KKEAMN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC	ZINC000098047829	554156659	/nfs/dbraw/zinc/15/66/59/554156659.db2.gz	JSKJPLZOMCIPSO-JGCGQSQUSA-N	0	1	683.827	8.792	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccnc2)cc1OC	ZINC000098047852	554157091	/nfs/dbraw/zinc/15/70/91/554157091.db2.gz	XVXJSARXOYTFLH-SANMLTNESA-N	0	1	596.690	6.179	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC	ZINC000098047915	554157711	/nfs/dbraw/zinc/15/77/11/554157711.db2.gz	FJPYVJJYGLDPQW-MUUNZHRXSA-N	0	1	627.719	7.231	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000098048935	554162381	/nfs/dbraw/zinc/16/23/81/554162381.db2.gz	XQUIVIWJFLGRJN-LJAQVGFWSA-N	0	1	676.845	8.597	50	30		KKEAMN
O=S(=O)(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1cc(Br)cc(C(F)(F)F)c1	ZINC000100008246	554179581	/nfs/dbraw/zinc/17/95/81/554179581.db2.gz	KGXTYHOZQYVNGB-UHFFFAOYSA-N	0	1	516.179	6.306	50	30		KKEAMN
COc1ccc(/N=C/c2cc(I)cc(I)c2O)cc1Cl	ZINC000100038476	554191586	/nfs/dbraw/zinc/19/15/86/554191586.db2.gz	UDOPCTXNGMYRQI-CNHKJKLMSA-N	0	1	513.500	5.014	50	30		KKEAMN
Cc1ccccc1-c1nc2cc(/N=C/c3cc(I)cc(I)c3O)ccc2o1	ZINC000100046350	554193888	/nfs/dbraw/zinc/19/38/88/554193888.db2.gz	KGKLGBGAOLZEOV-BHGWPJFGSA-N	0	1	580.163	6.469	50	30		KKEAMN
C=CCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1	ZINC000036301679	554211277	/nfs/dbraw/zinc/21/12/77/554211277.db2.gz	WYFYFOCRWPEUBP-HSZRJFAPSA-N	0	1	500.039	5.411	50	30		KKEAMN
CCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC	ZINC000100123884	554224719	/nfs/dbraw/zinc/22/47/19/554224719.db2.gz	CKGVBFQDYSPMSY-XMMPIXPASA-O	0	1	538.683	5.782	50	30		KKEAMN
COc1ccccc1[C@@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)c1cccc2ccccc21	ZINC000100142029	554228126	/nfs/dbraw/zinc/22/81/26/554228126.db2.gz	LVYWWXMWWHDMLL-OHWKKVTOSA-N	0	1	540.619	7.656	50	30		KKEAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2ccc(Cl)c(Cl)c2)C2=C1C(=O)CC(C)(C)C2	ZINC000100229702	554255078	/nfs/dbraw/zinc/25/50/78/554255078.db2.gz	PRJQMUUABYZLEP-SANMLTNESA-N	0	1	564.391	6.271	50	30		KKEAMN
C=CCc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(OCC)c3)C2=O)cc(OCC)c1OCc1ccccc1	ZINC000100235694	554258340	/nfs/dbraw/zinc/25/83/40/554258340.db2.gz	CTWCTISDLKBKAL-ONUIUJJFSA-N	0	1	542.657	5.623	50	30		KKEAMN
CCCCCCCCCCCCCCCCOC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OCC	ZINC000043278681	554298406	/nfs/dbraw/zinc/29/84/06/554298406.db2.gz	LPHUUVMLQFHHQG-AREMUKBSSA-O	0	1	510.717	6.729	50	30	in-vitro	KKEAMN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2Cl)[C@@H]3c2ccc(F)cc2)cc1	ZINC000049771676	554325919	/nfs/dbraw/zinc/32/59/19/554325919.db2.gz	HIDBFCAYHFMHLE-YUYWZBKDSA-N	0	1	579.115	8.991	50	30		KKEAMN
N#Cc1c2nc3ccccc3n2c(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2c1CCCC2	ZINC000050704823	554327549	/nfs/dbraw/zinc/32/75/49/554327549.db2.gz	YRYWCTOMIUDDMV-HKBQPEDESA-N	0	1	532.091	6.803	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C	ZINC000053253937	554330459	/nfs/dbraw/zinc/33/04/59/554330459.db2.gz	YZYKCKKKJRAPFR-QFIPXVFZSA-N	0	1	548.573	5.175	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)sc2c1	ZINC000053290480	554331327	/nfs/dbraw/zinc/33/13/27/554331327.db2.gz	FDVZPINBCPTXSE-OAQYLSRUSA-N	0	1	521.392	5.850	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(OC)c3OC)sc2c1	ZINC000053290932	554331577	/nfs/dbraw/zinc/33/15/77/554331577.db2.gz	ACDYQKKXHCXQBS-OAQYLSRUSA-N	0	1	522.604	5.557	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000053291963	554331855	/nfs/dbraw/zinc/33/18/55/554331855.db2.gz	LVMFYRTUNRASPR-NRFANRHFSA-N	0	1	539.382	5.989	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1	ZINC000053291944	554331913	/nfs/dbraw/zinc/33/19/13/554331913.db2.gz	UXHQWFYGRDMQAL-JOCHJYFZSA-N	0	1	519.966	6.258	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000053291960	554331957	/nfs/dbraw/zinc/33/19/57/554331957.db2.gz	LVMFYRTUNRASPR-OAQYLSRUSA-N	0	1	539.382	5.989	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000053305881	554332792	/nfs/dbraw/zinc/33/27/92/554332792.db2.gz	PSTBBKLTXWZSBA-QFIPXVFZSA-N	0	1	541.412	6.403	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000053305841	554332888	/nfs/dbraw/zinc/33/28/88/554332888.db2.gz	IPPYSMWNSXICDU-QFIPXVFZSA-N	0	1	535.965	6.040	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000053306269	554333575	/nfs/dbraw/zinc/33/35/75/554333575.db2.gz	HEQOALRPSGNUFR-HSZRJFAPSA-N	0	1	531.546	5.395	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000053306245	554333618	/nfs/dbraw/zinc/33/36/18/554333618.db2.gz	BGYKPFGTLJZUAJ-QHCPKHFHSA-N	0	1	531.546	5.395	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000053306820	554334454	/nfs/dbraw/zinc/33/44/54/554334454.db2.gz	JRMICMNWKBFTPR-HSZRJFAPSA-N	0	1	536.993	5.758	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000053306757	554334475	/nfs/dbraw/zinc/33/44/75/554334475.db2.gz	UPODBMJPAIOXNH-JCQPUDPBSA-N	0	1	547.976	5.964	50	30		KKEAMN
CC(C)C(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000053307242	554335217	/nfs/dbraw/zinc/33/52/17/554335217.db2.gz	LLYWPZMAOVCHNV-IPBJYNAHSA-N	0	1	537.660	7.449	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1	ZINC000053307957	554335563	/nfs/dbraw/zinc/33/55/63/554335563.db2.gz	VKUYIOYCAAFVHJ-HSZRJFAPSA-N	0	1	551.020	6.149	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(Br)c2)nc1C	ZINC000053319171	554336396	/nfs/dbraw/zinc/33/63/96/554336396.db2.gz	LBUJHUFWOPVDSR-OAQYLSRUSA-N	0	1	583.460	5.657	50	30		KKEAMN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Br)c1	ZINC000053319268	554337009	/nfs/dbraw/zinc/33/70/09/554337009.db2.gz	TUIKGVLMNFIXJR-NDEPHWFRSA-N	0	1	569.455	6.510	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1	ZINC000053319317	554337271	/nfs/dbraw/zinc/33/72/71/554337271.db2.gz	SZOMMJMIHKBFGV-JOCHJYFZSA-N	0	1	553.865	7.112	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2c2nnc(C)s2)ccc1O	ZINC000053319433	554337873	/nfs/dbraw/zinc/33/78/73/554337873.db2.gz	VYQOMMAJMRTHAE-RUZDIDTESA-N	0	1	543.601	5.231	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000053319436	554337974	/nfs/dbraw/zinc/33/79/74/554337974.db2.gz	YLURVBPDUSIJMS-GZGVDWRWSA-N	0	1	565.714	8.373	50	30		KKEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2c2nnc(C)s2)c1	ZINC000053319487	554338240	/nfs/dbraw/zinc/33/82/40/554338240.db2.gz	UQLBIMUIWPGYPC-VWLOTQADSA-N	0	1	527.602	5.525	50	30		KKEAMN
CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccccc3Cl)C2)cc1	ZINC000053319489	554338249	/nfs/dbraw/zinc/33/82/49/554338249.db2.gz	VPWWYTRFJBZEGV-GDJIYFAZSA-N	0	1	553.024	8.100	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1	ZINC000053319459	554338254	/nfs/dbraw/zinc/33/82/54/554338254.db2.gz	FXYQDBRJQREDIP-JCQPUDPBSA-N	0	1	547.976	5.964	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000053332937	554339286	/nfs/dbraw/zinc/33/92/86/554339286.db2.gz	WECPHTCPZGNQCZ-QFIPXVFZSA-N	0	1	522.941	5.643	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)s2)cc1	ZINC000053335400	554341066	/nfs/dbraw/zinc/34/10/66/554341066.db2.gz	AZYXLUOLMQKORJ-CRICUBBOSA-N	0	1	590.126	6.899	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000053335814	554341378	/nfs/dbraw/zinc/34/13/78/554341378.db2.gz	XMKXQFOJCBBJPM-XMMPIXPASA-N	0	1	559.556	5.157	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(OCc2ccccc2)c1	ZINC000053336089	554341572	/nfs/dbraw/zinc/34/15/72/554341572.db2.gz	UKPMPJNNTVMMKW-LJAQVGFWSA-N	0	1	534.568	5.210	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000053338201	554342739	/nfs/dbraw/zinc/34/27/39/554342739.db2.gz	QNSTYPFZIKYSGC-DEOSSOPVSA-N	0	1	527.558	5.722	50	30		KKEAMN
CCNC(=S)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	ZINC000053339409	554343553	/nfs/dbraw/zinc/34/35/53/554343553.db2.gz	MWGLRRBODNUVTG-HKBQPEDESA-N	0	1	590.189	7.829	50	30		KKEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(OCc2ccccc2)c1	ZINC000053339311	554343559	/nfs/dbraw/zinc/34/35/59/554343559.db2.gz	WDGQJTVQAIEWKO-WJOKGBTCSA-N	0	1	547.607	5.858	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1	ZINC000053339857	554343866	/nfs/dbraw/zinc/34/38/66/554343866.db2.gz	DZQMKVZQHDQYQY-PUAOIOHZSA-N	0	1	589.670	6.084	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc([N+](=O)[O-])c1O	ZINC000059595969	554408588	/nfs/dbraw/zinc/40/85/88/554408588.db2.gz	QTJIQAZNCSNGEQ-WXTAPIANSA-N	0	1	530.533	5.007	50	30		KKEAMN
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)ccc2OC)C3)cc([N+](=O)[O-])c1O	ZINC000059626443	554414790	/nfs/dbraw/zinc/41/47/90/554414790.db2.gz	CEKMQVFCXGHDIJ-WVDZOPJMSA-N	0	1	531.565	5.696	50	30		KKEAMN
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1O	ZINC000059835540	554437317	/nfs/dbraw/zinc/43/73/17/554437317.db2.gz	WDINUCGUCYAZPN-HPGBDJQBSA-N	0	1	531.565	5.696	50	30		KKEAMN
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1O	ZINC000059835544	554437287	/nfs/dbraw/zinc/43/72/87/554437287.db2.gz	WDINUCGUCYAZPN-JYRCXFKTSA-N	0	1	531.565	5.696	50	30		KKEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1	ZINC000100672272	554442029	/nfs/dbraw/zinc/44/20/29/554442029.db2.gz	BKQUJOIEEBCSNT-SSEXGKCCSA-N	0	1	554.643	5.263	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1	ZINC000100675226	554443394	/nfs/dbraw/zinc/44/33/94/554443394.db2.gz	SHROJGZFWVNOTL-NDEPHWFRSA-N	0	1	527.548	6.093	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1	ZINC000100675452	554443619	/nfs/dbraw/zinc/44/36/19/554443619.db2.gz	GFZWVJCYVXVZES-XMMPIXPASA-N	0	1	562.644	5.765	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000100678335	554444917	/nfs/dbraw/zinc/44/49/17/554444917.db2.gz	HWYCZCRKQABHDR-AREMUKBSSA-N	0	1	608.713	6.243	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000100678377	554444975	/nfs/dbraw/zinc/44/49/75/554444975.db2.gz	JTWGXPOVFVLUBZ-MHZLTWQESA-N	0	1	532.593	5.065	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000100679417	554445288	/nfs/dbraw/zinc/44/52/88/554445288.db2.gz	ABPVTEHGLUEXTL-JOCHJYFZSA-N	0	1	555.052	6.243	50	30		KKEAMN
O=C(c1ccc(OCc2ccc(F)cc2)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000100678566	554445320	/nfs/dbraw/zinc/44/53/20/554445320.db2.gz	SYHYBUCIWYHLQC-NDEPHWFRSA-N	0	1	599.486	6.012	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCC)c(OCC)c2)cc1	ZINC000100679975	554446177	/nfs/dbraw/zinc/44/61/77/554446177.db2.gz	DHNKAEZRYGWPMW-MHZLTWQESA-N	0	1	622.740	6.778	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCC)cc2)nc1C	ZINC000100680325	554446295	/nfs/dbraw/zinc/44/62/95/554446295.db2.gz	TZECJJGUMJKJPK-RUZDIDTESA-N	0	1	576.671	6.155	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccccc2F)nc1C	ZINC000100680321	554446306	/nfs/dbraw/zinc/44/63/06/554446306.db2.gz	VKUNHJRFUUZICL-QHCPKHFHSA-N	0	1	550.608	5.895	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Br)c2)cc1	ZINC000100680281	554446534	/nfs/dbraw/zinc/44/65/34/554446534.db2.gz	JFXWOLRYZGRNCK-QFIPXVFZSA-N	0	1	599.503	6.353	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000100680978	554446744	/nfs/dbraw/zinc/44/67/44/554446744.db2.gz	CPFBUAZHAKTDQY-HSZRJFAPSA-N	0	1	550.633	5.599	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2cccc(Br)c2)nc1C	ZINC000100681040	554447156	/nfs/dbraw/zinc/44/71/56/554447156.db2.gz	UHKWSULGAOLKKC-QHCPKHFHSA-N	0	1	611.514	6.519	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2cccc(Br)c2)nc1C	ZINC000100681036	554447222	/nfs/dbraw/zinc/44/72/22/554447222.db2.gz	UHKWSULGAOLKKC-HSZRJFAPSA-N	0	1	611.514	6.519	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(Br)cc2)nc1C	ZINC000100681032	554447261	/nfs/dbraw/zinc/44/72/61/554447261.db2.gz	HSBPHUYXEVTIDZ-QHCPKHFHSA-N	0	1	611.514	6.519	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1	ZINC000100681236	554447624	/nfs/dbraw/zinc/44/76/24/554447624.db2.gz	SBRHTZVMHZQNEW-LJAQVGFWSA-N	0	1	547.648	6.671	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Br)c2)cc1	ZINC000100681137	554447631	/nfs/dbraw/zinc/44/76/31/554447631.db2.gz	CIZFQEYZUKVSNA-NRFANRHFSA-N	0	1	585.476	5.962	50	30		KKEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1	ZINC000100736825	554461360	/nfs/dbraw/zinc/46/13/60/554461360.db2.gz	MKHAWVDDJLUVMG-RUZDIDTESA-N	0	1	576.671	6.073	50	30		KKEAMN
Cc1ccc(-c2nc3cc(/N=C/c4cc(I)cc(I)c4O)ccc3o2)cc1C	ZINC000100976154	554546982	/nfs/dbraw/zinc/54/69/82/554546982.db2.gz	KBUYEFIEPMRVGK-OPEKNORGSA-N	0	1	594.190	6.777	50	30		KKEAMN
CCCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1	ZINC000101029400	554564622	/nfs/dbraw/zinc/56/46/22/554564622.db2.gz	CEDHVXMBSQRJTQ-OCBJUFRSSA-N	0	1	512.650	6.785	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Br)cc1)c1ccc(F)cc1	ZINC000101069843	554574315	/nfs/dbraw/zinc/57/43/15/554574315.db2.gz	IDSJQPIFTYDBNX-NHFXJNLRSA-N	0	1	527.346	5.963	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1)c1ccc(Br)cc1	ZINC000101072618	554576302	/nfs/dbraw/zinc/57/63/02/554576302.db2.gz	CYDMLNFRBCLYPJ-YDJIHCHBSA-N	0	1	592.081	6.600	50	30		KKEAMN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1	ZINC000101100195	554586837	/nfs/dbraw/zinc/58/68/37/554586837.db2.gz	BWYIXYJQEJJSKB-HFEWCJDKSA-N	0	1	553.865	6.955	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C	ZINC000101277933	554704296	/nfs/dbraw/zinc/70/42/96/554704296.db2.gz	LKRNPROCICLMLG-ONQGDUAMSA-N	0	1	598.652	6.447	50	30		KKEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OCC	ZINC000101310199	554717083	/nfs/dbraw/zinc/71/70/83/554717083.db2.gz	VGWOQQFMNLPLFT-WENCHWOGSA-N	0	1	539.628	5.638	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1	ZINC000101316805	554723821	/nfs/dbraw/zinc/72/38/21/554723821.db2.gz	MAIZFVSGDGCONO-YREDKMEYSA-N	0	1	611.745	6.653	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000101347435	554737553	/nfs/dbraw/zinc/73/75/53/554737553.db2.gz	LVLWDQYQRYTGAH-ODCWNRFASA-N	0	1	557.584	5.710	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000101353995	554739011	/nfs/dbraw/zinc/73/90/11/554739011.db2.gz	OGHXRBKLOUSPDW-BZQUYTCOSA-N	0	1	557.584	5.710	50	30		KKEAMN
N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@@H](c1ccccc1Cl)N1CCCCCC1	ZINC000101360431	554742220	/nfs/dbraw/zinc/74/22/20/554742220.db2.gz	HLXZLRCLQMXHTL-LJAQVGFWSA-N	0	1	561.513	8.128	50	30		KKEAMN
N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@H](c1ccccc1Cl)N1CCCCCC1	ZINC000101360434	554742227	/nfs/dbraw/zinc/74/22/27/554742227.db2.gz	HLXZLRCLQMXHTL-GDLZYMKVSA-N	0	1	561.513	8.128	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000102076479	554874523	/nfs/dbraw/zinc/87/45/23/554874523.db2.gz	SVXQBIOFEBWELY-JLPDLQRYSA-N	0	1	501.579	5.650	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000102076771	554875053	/nfs/dbraw/zinc/87/50/53/554875053.db2.gz	PZUCUSUHDQSCFK-CJJGVWJISA-N	0	1	503.551	5.098	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1	ZINC000102076723	554875144	/nfs/dbraw/zinc/87/51/44/554875144.db2.gz	WZXJOAAHVFSGKY-FGEDTZIGSA-N	0	1	512.606	5.452	50	30		KKEAMN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102078894	554875535	/nfs/dbraw/zinc/87/55/35/554875535.db2.gz	IQDFFUDBVHJKCP-VTVSLZSGSA-N	0	1	627.788	7.205	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102078909	554875815	/nfs/dbraw/zinc/87/58/15/554875815.db2.gz	UYIOENBYOWBUCM-TXTDGAROSA-N	0	1	629.760	6.653	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)c(OCC)c2)cc1C	ZINC000102432529	554927289	/nfs/dbraw/zinc/92/72/89/554927289.db2.gz	ALBFQCFCZDGHQE-ONQGDUAMSA-N	0	1	516.594	5.295	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000102482417	554937484	/nfs/dbraw/zinc/93/74/84/554937484.db2.gz	GHNJWVNOUPYKCC-NHFXJNLRSA-N	0	1	526.567	5.149	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000102483280	554937621	/nfs/dbraw/zinc/93/76/21/554937621.db2.gz	NQPQSYRUCWQEEP-YDJIHCHBSA-N	0	1	502.832	5.893	50	30		KKEAMN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(OCc3ccccc3)cc2)no1	ZINC000102487379	554938441	/nfs/dbraw/zinc/93/84/41/554938441.db2.gz	KKPWPNRCCUCTKS-NPJIAGGLSA-N	0	1	500.938	5.842	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)nc1C	ZINC000102491246	554939443	/nfs/dbraw/zinc/93/94/43/554939443.db2.gz	LZMDRPOVRVWVMT-SELCWUDQSA-N	0	1	500.935	5.047	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102492803	554939696	/nfs/dbraw/zinc/93/96/96/554939696.db2.gz	BKSLHSVAYYHRQY-WOOAAIBNSA-N	0	1	511.353	5.287	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C	ZINC000102493861	554940021	/nfs/dbraw/zinc/94/00/21/554940021.db2.gz	IYRGMKOPHHUHKH-HOGKFDNTSA-N	0	1	530.558	5.640	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C	ZINC000102496413	554940784	/nfs/dbraw/zinc/94/07/84/554940784.db2.gz	LCMYHOACSHYIPX-UUALVTFQSA-N	0	1	546.620	5.217	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Br)c2)nc1C	ZINC000102504097	554943951	/nfs/dbraw/zinc/94/39/51/554943951.db2.gz	HPIFJGRKZWVRHI-GROYHEBESA-N	0	1	547.814	5.280	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1	ZINC000102506338	554944536	/nfs/dbraw/zinc/94/45/36/554944536.db2.gz	QYHLOJQWZMACMS-MOBKVPTQSA-N	0	1	506.605	5.782	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1	ZINC000102510447	554945969	/nfs/dbraw/zinc/94/59/69/554945969.db2.gz	RXDZYEUNFQQHQW-AYWGPLOBSA-N	0	1	534.565	5.478	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000102517821	554948747	/nfs/dbraw/zinc/94/87/47/554948747.db2.gz	WNCYMIDKVXSZLW-SZYGQJGOSA-N	0	1	642.675	9.369	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000102520396	554949338	/nfs/dbraw/zinc/94/93/38/554949338.db2.gz	GRMNGARPKSKEOI-ZHHPLPSFSA-N	0	1	549.004	5.761	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000102524825	554951560	/nfs/dbraw/zinc/95/15/60/554951560.db2.gz	MOPRJWJMDVMZTA-ZHHPLPSFSA-N	0	1	565.445	6.092	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Br)c2)cc1	ZINC000102524819	554951654	/nfs/dbraw/zinc/95/16/54/554951654.db2.gz	MOPRJWJMDVMZTA-AYWGPLOBSA-N	0	1	565.445	6.092	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(OC)c(OC)c1	ZINC000102526559	554952151	/nfs/dbraw/zinc/95/21/51/554952151.db2.gz	ZVDZRGJZTAKNGG-DFXXOVSGSA-N	0	1	531.605	5.049	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1	ZINC000102527384	554952549	/nfs/dbraw/zinc/95/25/49/554952549.db2.gz	MZPLAZHIBFBRPL-SBXHHDGASA-N	0	1	518.566	5.859	50	30		KKEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1	ZINC000102529160	554953062	/nfs/dbraw/zinc/95/30/62/554953062.db2.gz	KEKQIGSBYJVRSF-NXLSWJSLSA-N	0	1	518.591	6.012	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1	ZINC000102529150	554953140	/nfs/dbraw/zinc/95/31/40/554953140.db2.gz	KEKQIGSBYJVRSF-SBXHHDGASA-N	0	1	518.591	6.012	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)ccc1OCc1ccccc1	ZINC000102531949	554954096	/nfs/dbraw/zinc/95/40/96/554954096.db2.gz	VDXJYORLDFEECC-WENCHWOGSA-N	0	1	557.643	5.446	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000102532410	554954476	/nfs/dbraw/zinc/95/44/76/554954476.db2.gz	HQUFSXRBMCOSMU-GYBOJBDRSA-N	0	1	531.608	6.467	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000102533150	554954835	/nfs/dbraw/zinc/95/48/35/554954835.db2.gz	NNWPCUQWMMHAPY-NXLSWJSLSA-N	0	1	581.046	6.001	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000102537296	554956306	/nfs/dbraw/zinc/95/63/06/554956306.db2.gz	NEZJZKSWDLJSFR-AYWGPLOBSA-N	0	1	520.994	5.983	50	30		KKEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000102545821	554959020	/nfs/dbraw/zinc/95/90/20/554959020.db2.gz	XDVKSIDDZUKSEI-WNQPQFFOSA-N	0	1	620.152	6.832	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000102549004	554960804	/nfs/dbraw/zinc/96/08/04/554960804.db2.gz	IHLGVABHKNTKTQ-WRPQUVRJSA-N	0	1	577.634	6.058	50	30		KKEAMN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102549586	554961053	/nfs/dbraw/zinc/96/10/53/554961053.db2.gz	CCORQXNYEIIRKI-ZHHPLPSFSA-N	0	1	553.423	6.309	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000102549464	554961070	/nfs/dbraw/zinc/96/10/70/554961070.db2.gz	DIWBEPQVJVMZCY-IUKMQXEJSA-N	0	1	540.597	5.443	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000102553028	554963173	/nfs/dbraw/zinc/96/31/73/554963173.db2.gz	SHFMUUYGXZQQLT-SZYGQJGOSA-N	0	1	579.778	8.312	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1OCC	ZINC000102560567	554968078	/nfs/dbraw/zinc/96/80/78/554968078.db2.gz	BEJXWNGATBVZQB-TXTDGAROSA-N	0	1	544.604	5.052	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1	ZINC000102561375	554968304	/nfs/dbraw/zinc/96/83/04/554968304.db2.gz	OETAVJMTLHDUOL-ZHHPLPSFSA-N	0	1	562.987	5.134	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102563400	554968742	/nfs/dbraw/zinc/96/87/42/554968742.db2.gz	SWUDXHAVYUNRGR-MOBKVPTQSA-N	0	1	553.865	6.901	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1	ZINC000102563420	554968769	/nfs/dbraw/zinc/96/87/69/554968769.db2.gz	BLYHBIIIFSMMKQ-GMBUILNLSA-N	0	1	577.456	6.017	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1	ZINC000102563939	554969148	/nfs/dbraw/zinc/96/91/48/554969148.db2.gz	RSCQKEAXOBTMHN-FECHNCLXSA-N	0	1	504.514	5.524	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000102575845	554971524	/nfs/dbraw/zinc/97/15/24/554971524.db2.gz	RKHMZLNNNWTEFP-WRPQUVRJSA-N	0	1	594.089	6.573	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000102581509	554972533	/nfs/dbraw/zinc/97/25/33/554972533.db2.gz	KZFVDRUJXYUOAJ-KYWXLPDZSA-N	0	1	531.521	5.293	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1	ZINC000102586678	554973240	/nfs/dbraw/zinc/97/32/40/554973240.db2.gz	ATMHPCNGIXYPLZ-UUALVTFQSA-N	0	1	585.638	5.222	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1	ZINC000102586929	554973498	/nfs/dbraw/zinc/97/34/98/554973498.db2.gz	UWEMSYGHMCMYAO-NXLSWJSLSA-N	0	1	548.617	5.231	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C	ZINC000102606116	554978823	/nfs/dbraw/zinc/97/88/23/554978823.db2.gz	VQCABXWELQQNRA-LMKMVOKYSA-N	0	1	549.649	5.386	50	30		KKEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1	ZINC000102611954	554981766	/nfs/dbraw/zinc/98/17/66/554981766.db2.gz	WZZCXJPVAZUMLG-IUKMQXEJSA-N	0	1	605.669	5.766	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC	ZINC000102618794	554985478	/nfs/dbraw/zinc/98/54/78/554985478.db2.gz	OPFKIJOFEDPWME-MOBKVPTQSA-N	0	1	517.887	6.002	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1	ZINC000102619625	554986023	/nfs/dbraw/zinc/98/60/23/554986023.db2.gz	JLVZFHXBCIKDAN-NXLSWJSLSA-N	0	1	601.662	5.015	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102619778	554986261	/nfs/dbraw/zinc/98/62/61/554986261.db2.gz	PYOSDEBBSLPIEU-ONQGDUAMSA-N	0	1	615.733	6.407	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1	ZINC000102621110	554986919	/nfs/dbraw/zinc/98/69/19/554986919.db2.gz	NXHJGILJCXUXGQ-KFLIVHAJSA-N	0	1	531.781	9.206	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCC)cc3C)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000102622254	554987435	/nfs/dbraw/zinc/98/74/35/554987435.db2.gz	LOZVACGLHSPDTE-QHCPKHFHSA-N	0	1	567.063	6.328	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C	ZINC000102646478	554992729	/nfs/dbraw/zinc/99/27/29/554992729.db2.gz	JHIBLDBLBOBGFG-RWMNMRIUSA-N	0	1	556.659	5.851	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1	ZINC000102648499	554994092	/nfs/dbraw/zinc/99/40/92/554994092.db2.gz	HQUFSXRBMCOSMU-FFMCZVIESA-N	0	1	531.608	6.467	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)ccc1OCc1ccccc1	ZINC000102648993	554994542	/nfs/dbraw/zinc/99/45/42/554994542.db2.gz	VDXJYORLDFEECC-ICQXDZJJSA-N	0	1	557.643	5.446	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000102652351	554996500	/nfs/dbraw/zinc/99/65/00/554996500.db2.gz	IHLGVABHKNTKTQ-HALAOQOWSA-N	0	1	577.634	6.058	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000102654385	554997645	/nfs/dbraw/zinc/99/76/45/554997645.db2.gz	WBYWHIBBVMKTGF-NSUOQXISSA-N	0	1	571.869	7.206	50	30		KKEAMN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000102678546	555004749	/nfs/dbraw/zinc/00/47/49/555004749.db2.gz	VJLBQZQUJWCPMJ-HEWWQJFPSA-N	0	1	508.983	5.257	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)cc1Cl	ZINC000102698454	555012107	/nfs/dbraw/zinc/01/21/07/555012107.db2.gz	OKQKFKUAPHXZFY-LFVOPCPISA-N	0	1	503.736	5.034	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000102699030	555012390	/nfs/dbraw/zinc/01/23/90/555012390.db2.gz	MYNWIEIQYYQGIO-MIOXIQPJSA-N	0	1	539.584	5.806	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCOC)ccc1O	ZINC000102698710	555012444	/nfs/dbraw/zinc/01/24/44/555012444.db2.gz	SVDAINOTKAMSHN-DFXXOVSGSA-N	0	1	531.605	5.137	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCOC)ccc1O	ZINC000102698714	555012451	/nfs/dbraw/zinc/01/24/51/555012451.db2.gz	SVDAINOTKAMSHN-TXTDGAROSA-N	0	1	531.605	5.137	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(N(C)C)cc1	ZINC000102708794	555015912	/nfs/dbraw/zinc/01/59/12/555015912.db2.gz	SOCYRUURAWOANG-TXTDGAROSA-N	0	1	514.622	5.098	50	30		KKEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000102711408	555016758	/nfs/dbraw/zinc/01/67/58/555016758.db2.gz	JXCNNASPTPAWFU-TXTDGAROSA-N	0	1	513.634	5.940	50	30		KKEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccccc2F)s1	ZINC000102712705	555017367	/nfs/dbraw/zinc/01/73/67/555017367.db2.gz	SRUOQGBCAGLKBB-NXLSWJSLSA-N	0	1	515.566	5.499	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC	ZINC000102714190	555017915	/nfs/dbraw/zinc/01/79/15/555017915.db2.gz	DIFPUCVAUUVULO-WGGXKBPPSA-N	0	1	539.584	5.806	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2Cc2ccncc2)cc1	ZINC000102713544	555017986	/nfs/dbraw/zinc/01/79/86/555017986.db2.gz	YUIORIQHGXRWFU-WGGXKBPPSA-N	0	1	548.595	5.378	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102715022	555018215	/nfs/dbraw/zinc/01/82/15/555018215.db2.gz	KITBKJYAKQXECP-MOBKVPTQSA-N	0	1	519.966	6.047	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102715020	555018244	/nfs/dbraw/zinc/01/82/44/555018244.db2.gz	KITBKJYAKQXECP-HOGKFDNTSA-N	0	1	519.966	6.047	50	30		KKEAMN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(Cl)c3)cc2)c1	ZINC000102714947	555018288	/nfs/dbraw/zinc/01/82/88/555018288.db2.gz	RODRGXROYRSMTK-DFXXOVSGSA-N	0	1	542.035	5.936	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000102718625	555019305	/nfs/dbraw/zinc/01/93/05/555019305.db2.gz	LOFQVGXSSWZMRR-IUKMQXEJSA-N	0	1	501.539	5.099	50	30		KKEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000102718711	555019733	/nfs/dbraw/zinc/01/97/33/555019733.db2.gz	CTEAHIFFHSMEHT-WGGXKBPPSA-N	0	1	537.616	5.291	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102719871	555019949	/nfs/dbraw/zinc/01/99/49/555019949.db2.gz	RXTFSBGPLYOTFJ-MOBKVPTQSA-N	0	1	503.511	5.532	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC	ZINC000102721517	555020256	/nfs/dbraw/zinc/02/02/56/555020256.db2.gz	PNJAREUPJAZCSA-NXLSWJSLSA-N	0	1	518.591	5.794	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000102721673	555020412	/nfs/dbraw/zinc/02/04/12/555020412.db2.gz	ASMLMQICKTUFAZ-MIOXIQPJSA-N	0	1	529.633	6.280	50	30		KKEAMN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102726465	555021855	/nfs/dbraw/zinc/02/18/55/555021855.db2.gz	UWFSWKFZGSEZNA-HOGKFDNTSA-N	0	1	503.511	5.532	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000102732590	555024097	/nfs/dbraw/zinc/02/40/97/555024097.db2.gz	ZJQPNKPYLOYLSU-WGGXKBPPSA-N	0	1	527.661	6.330	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccccc3F)ccc2O1	ZINC000102735611	555025813	/nfs/dbraw/zinc/02/58/13/555025813.db2.gz	AQEXSDXEEVLINK-FECHNCLXSA-N	0	1	504.514	5.524	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1	ZINC000102770782	555058114	/nfs/dbraw/zinc/05/81/14/555058114.db2.gz	VWGJZVDOQGCMJA-FSDXSRJSSA-N	0	1	508.401	5.981	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102771308	555060026	/nfs/dbraw/zinc/06/00/26/555060026.db2.gz	GGOZJWHURATZQL-BBHOXHGRSA-N	0	1	610.544	7.087	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102771269	555060052	/nfs/dbraw/zinc/06/00/52/555060052.db2.gz	LMIYFPDDGYERDB-FECHNCLXSA-N	0	1	537.424	6.553	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102771265	555060056	/nfs/dbraw/zinc/06/00/56/555060056.db2.gz	LMIYFPDDGYERDB-KYWXLPDZSA-N	0	1	537.424	6.553	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000102771464	555060298	/nfs/dbraw/zinc/06/02/98/555060298.db2.gz	OMHTWCZUVRDPNT-YMMFOPJESA-N	0	1	559.644	5.919	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)s2)cc1	ZINC000102771445	555060327	/nfs/dbraw/zinc/06/03/27/555060327.db2.gz	NNQBECOHYBXCFG-MWCANZRFSA-N	0	1	573.671	6.228	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccnc3)ccc2O1	ZINC000102771485	555060528	/nfs/dbraw/zinc/06/05/28/555060528.db2.gz	CCBGHMPPSNXIIF-JDDIYYEHSA-N	0	1	503.967	5.294	50	30		KKEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccnc3)ccc2O1	ZINC000102771483	555060701	/nfs/dbraw/zinc/06/07/01/555060701.db2.gz	CCBGHMPPSNXIIF-WKHTWXOLSA-N	0	1	503.967	5.294	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102801089	555072407	/nfs/dbraw/zinc/07/24/07/555072407.db2.gz	ZAXSJXAWILUMTH-AYWGPLOBSA-N	0	1	513.468	5.358	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102801091	555072450	/nfs/dbraw/zinc/07/24/50/555072450.db2.gz	ZAXSJXAWILUMTH-ZHHPLPSFSA-N	0	1	513.468	5.358	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000102800058	555072457	/nfs/dbraw/zinc/07/24/57/555072457.db2.gz	RHBHXQJOKFJAAC-GHNGSUTGSA-N	0	1	500.935	5.047	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C	ZINC000102856683	555088076	/nfs/dbraw/zinc/08/80/76/555088076.db2.gz	PPDUIYQJGJNQLQ-KFLIVHAJSA-N	0	1	584.713	6.110	50	30		KKEAMN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1ccc(C#N)cc1	ZINC000102857692	555088847	/nfs/dbraw/zinc/08/88/47/555088847.db2.gz	HAVLFYOPVNKRDV-NRUKRWIHSA-N	0	1	507.609	7.828	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000102858548	555089349	/nfs/dbraw/zinc/08/93/49/555089349.db2.gz	NZKNQAABLQTMOG-MRJHHRETSA-N	0	1	524.570	5.182	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1	ZINC000102859635	555089955	/nfs/dbraw/zinc/08/99/55/555089955.db2.gz	VIVBKUWHYJSYJJ-ZHHPLPSFSA-N	0	1	551.020	5.992	50	30		KKEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC	ZINC000102860732	555090845	/nfs/dbraw/zinc/09/08/45/555090845.db2.gz	HIXFWJHGZHTPQD-HOGKFDNTSA-N	0	1	538.528	5.227	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1	ZINC000102861064	555091311	/nfs/dbraw/zinc/09/13/11/555091311.db2.gz	AMNFSNAOCTYPLR-NGAXIMOQSA-N	0	1	501.579	5.794	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102861546	555091475	/nfs/dbraw/zinc/09/14/75/555091475.db2.gz	ILLKLCBEFJWBTQ-JBCNATCCSA-N	0	1	522.941	5.502	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1	ZINC000102864252	555093853	/nfs/dbraw/zinc/09/38/53/555093853.db2.gz	SMMOCBUOZCBPBV-QMMFTLRZSA-N	0	1	600.613	9.491	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000102864516	555094254	/nfs/dbraw/zinc/09/42/54/555094254.db2.gz	KQVDUKJYFPTZOW-MOBKVPTQSA-N	0	1	508.958	6.114	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2ccco2)ccc1O	ZINC000102864840	555094573	/nfs/dbraw/zinc/09/45/73/555094573.db2.gz	ZCBVSCCKDRHQHL-TXTDGAROSA-N	0	1	525.557	5.503	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1	ZINC000102864750	555094641	/nfs/dbraw/zinc/09/46/41/555094641.db2.gz	UNLDCJSWLSDBCW-SBXHHDGASA-N	0	1	551.020	5.992	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Cl)c2)nc1C	ZINC000102866324	555095470	/nfs/dbraw/zinc/09/54/70/555095470.db2.gz	VJBHRFFRUDFFDB-HVESIFNPSA-N	0	1	503.363	5.171	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(F)cc3)sc2c1	ZINC000102866617	555096041	/nfs/dbraw/zinc/09/60/41/555096041.db2.gz	MXNQFRHJFVTNSA-SBXHHDGASA-N	0	1	532.549	5.232	50	30		KKEAMN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C	ZINC000102868205	555097648	/nfs/dbraw/zinc/09/76/48/555097648.db2.gz	YFIDOCGIUBQSPN-HOGKFDNTSA-N	0	1	555.052	6.005	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC	ZINC000102868457	555097914	/nfs/dbraw/zinc/09/79/14/555097914.db2.gz	FGHHOLOFXRGPMS-CZNAVJSXSA-N	0	1	520.582	5.586	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C	ZINC000102870100	555100147	/nfs/dbraw/zinc/10/01/47/555100147.db2.gz	STOMUVWZYIMEEC-TXTDGAROSA-N	0	1	621.111	6.781	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1	ZINC000102870511	555100704	/nfs/dbraw/zinc/10/07/04/555100704.db2.gz	UHVXCIDVHLRYIN-VTVSLZSGSA-N	0	1	627.788	7.349	50	30		KKEAMN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2)cc1	ZINC000102873506	555103990	/nfs/dbraw/zinc/10/39/90/555103990.db2.gz	IOBKHKVNVHBHKK-JBCNATCCSA-N	0	1	506.580	5.043	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000102874482	555104550	/nfs/dbraw/zinc/10/45/50/555104550.db2.gz	DLSDNZZBUZFMIU-AHPONGEQSA-N	0	1	570.686	5.117	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc(Br)c3)sc2c1	ZINC000102877045	555106648	/nfs/dbraw/zinc/10/66/48/555106648.db2.gz	PAMWSYHOTYJTKP-MRJHHRETSA-N	0	1	539.407	5.985	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)cc1	ZINC000102877846	555107181	/nfs/dbraw/zinc/10/71/81/555107181.db2.gz	TUGYUFLYUXBPDZ-MOBKVPTQSA-N	0	1	525.399	5.760	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)cc1	ZINC000102877843	555107216	/nfs/dbraw/zinc/10/72/16/555107216.db2.gz	TUGYUFLYUXBPDZ-HOGKFDNTSA-N	0	1	525.399	5.760	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1	ZINC000102878166	555107575	/nfs/dbraw/zinc/10/75/75/555107575.db2.gz	KEBKWBAVNMRFPH-YDJIHCHBSA-N	0	1	525.380	5.677	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000102879533	555108801	/nfs/dbraw/zinc/10/88/01/555108801.db2.gz	XDJMBOGDZDFYSN-WOOAAIBNSA-N	0	1	547.416	5.488	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102881576	555110038	/nfs/dbraw/zinc/11/00/38/555110038.db2.gz	KOGSMSYPLVBQQU-NXLSWJSLSA-N	0	1	534.565	5.478	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1	ZINC000102882723	555111149	/nfs/dbraw/zinc/11/11/49/555111149.db2.gz	FORCWUGRJKHRFH-ZHHPLPSFSA-N	0	1	550.589	5.249	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000102882747	555111156	/nfs/dbraw/zinc/11/11/56/555111156.db2.gz	WCEUNLIJGMGECK-MOBKVPTQSA-N	0	1	508.958	6.114	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102883608	555112044	/nfs/dbraw/zinc/11/20/44/555112044.db2.gz	XQEZSZIYNQWNBL-MRJHHRETSA-N	0	1	529.376	6.377	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C	ZINC000102884528	555113414	/nfs/dbraw/zinc/11/34/14/555113414.db2.gz	WZDSJZYFPBNZRD-HJFSGKHBSA-N	0	1	539.009	5.231	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1	ZINC000102884591	555113742	/nfs/dbraw/zinc/11/37/42/555113742.db2.gz	OTYQBVWJKGCCTI-JRPVAJNPSA-N	0	1	530.577	5.784	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000102884777	555114485	/nfs/dbraw/zinc/11/44/85/555114485.db2.gz	ZGUBPBDPDDYIMP-YJMWBXFMSA-N	0	1	559.663	5.296	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC	ZINC000102884781	555114547	/nfs/dbraw/zinc/11/45/47/555114547.db2.gz	ZGUBPBDPDDYIMP-MNOIWJKESA-N	0	1	559.663	5.296	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1OCC	ZINC000102885135	555115174	/nfs/dbraw/zinc/11/51/74/555115174.db2.gz	DYTNIDYBARGFRX-VMFRQMAUSA-N	0	1	528.605	5.214	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1	ZINC000102885690	555115766	/nfs/dbraw/zinc/11/57/66/555115766.db2.gz	BVGXZVBTJOCNIF-NXLSWJSLSA-N	0	1	578.643	5.205	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC	ZINC000102887572	555119597	/nfs/dbraw/zinc/11/95/97/555119597.db2.gz	MZFYZOQAINNGNC-JOMJOIQHSA-N	0	1	605.112	7.087	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2Cc2ccncc2)cc1OC	ZINC000102887735	555119890	/nfs/dbraw/zinc/11/98/90/555119890.db2.gz	JJPVBLYHLVSBHB-QMMFTLRZSA-N	0	1	550.611	5.608	50	30		KKEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Br)cn3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000102887954	555120493	/nfs/dbraw/zinc/12/04/93/555120493.db2.gz	SDMGYVAKCMSBID-MRJHHRETSA-N	0	1	558.226	5.632	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C	ZINC000102888147	555120720	/nfs/dbraw/zinc/12/07/20/555120720.db2.gz	OWWCEHCYCLULOR-CJJGVWJISA-N	0	1	598.633	5.215	50	30		KKEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000102888412	555121474	/nfs/dbraw/zinc/12/14/74/555121474.db2.gz	XRNRSNMWIIYLNP-LHKMDIPOSA-N	0	1	621.740	6.942	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C	ZINC000102889562	555123710	/nfs/dbraw/zinc/12/37/10/555123710.db2.gz	MOEWHYVMYSZBCK-WBMUNJTESA-N	0	1	592.670	5.375	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2	ZINC000102890005	555124854	/nfs/dbraw/zinc/12/48/54/555124854.db2.gz	OPNFMGPPXFAOOP-HOGKFDNTSA-N	0	1	504.951	5.347	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1	ZINC000102890930	555126433	/nfs/dbraw/zinc/12/64/33/555126433.db2.gz	CFUJCKNZJDWNJO-JEPDFCTISA-N	0	1	529.637	5.288	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000102892824	555129344	/nfs/dbraw/zinc/12/93/44/555129344.db2.gz	OSVYJVDUWANVJZ-HOTYXSFQSA-N	0	1	567.450	6.561	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC	ZINC000102893411	555130733	/nfs/dbraw/zinc/13/07/33/555130733.db2.gz	CZCLGMGOHAQFNX-QMMFTLRZSA-N	0	1	630.719	6.670	50	30		KKEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC	ZINC000102894827	555133251	/nfs/dbraw/zinc/13/32/51/555133251.db2.gz	RSJILABPAUJYFP-CJJGVWJISA-N	0	1	574.611	5.110	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1	ZINC000102896269	555136029	/nfs/dbraw/zinc/13/60/29/555136029.db2.gz	FOPDDZAYOXNRDZ-ZORLYMSLSA-N	0	1	551.743	8.737	50	30		KKEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C	ZINC000102897273	555137459	/nfs/dbraw/zinc/13/74/59/555137459.db2.gz	JOTNUOQTBSJQTD-SBXHHDGASA-N	0	1	578.643	5.061	50	30		KKEAMN
COc1ccc(C=C2CCCc3c2nc2ccccc2c3C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)cc1OC	ZINC000102910082	555142433	/nfs/dbraw/zinc/14/24/33/555142433.db2.gz	CIFOATLTLCTFQL-JPFXZVHCSA-N	0	1	553.640	5.927	50	30		KKEAMN
COc1ccc(C=C2CCCc3c2nc2ccccc2c3C(=O)OCC(=O)C(C#N)c2nc(C)cs2)cc1OC	ZINC000102910082	555142435	/nfs/dbraw/zinc/14/24/35/555142435.db2.gz	CIFOATLTLCTFQL-JPFXZVHCSA-N	0	1	553.640	5.927	50	30		KKEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(OCC(=O)Nc3ccc(CC)cc3)C(=O)N2CCN(C)C)c1	ZINC000102925364	555149753	/nfs/dbraw/zinc/14/97/53/555149753.db2.gz	WSEVRSLTAQVDJM-YTTGMZPUSA-N	0	1	583.729	5.583	50	30		KKEAMN
N#Cc1ccc([C@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1	ZINC000102926337	555150637	/nfs/dbraw/zinc/15/06/37/555150637.db2.gz	AGQCYNXCMIBQQH-RCRUUEGKSA-N	0	1	519.601	7.623	50	30		KKEAMN
N#Cc1ccc([C@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1	ZINC000102926334	555150670	/nfs/dbraw/zinc/15/06/70/555150670.db2.gz	AGQCYNXCMIBQQH-CHJDUVSTSA-N	0	1	519.601	7.623	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(N(C)C)cc1	ZINC000102926395	555150828	/nfs/dbraw/zinc/15/08/28/555150828.db2.gz	VTPHNJYCGQNYBW-KFLIVHAJSA-N	0	1	625.692	9.418	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000102927907	555152623	/nfs/dbraw/zinc/15/26/23/555152623.db2.gz	BVNPYQFXPORLCJ-MOBKVPTQSA-N	0	1	518.547	5.009	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000102928070	555153185	/nfs/dbraw/zinc/15/31/85/555153185.db2.gz	RALBTBBYGJFSEQ-MRJHHRETSA-N	0	1	508.577	5.010	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000102928247	555153405	/nfs/dbraw/zinc/15/34/05/555153405.db2.gz	VNTQTRXAAIXOAQ-ZHHPLPSFSA-N	0	1	520.538	5.088	50	30		KKEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102931068	555158305	/nfs/dbraw/zinc/15/83/05/555158305.db2.gz	HBZDRMVNWJGSGK-ZHHPLPSFSA-N	0	1	520.538	5.088	50	30		KKEAMN
N#CC(c1nc2ccccc2nc1N1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1)S(=O)(=O)c1ccccc1	ZINC000102931166	555158560	/nfs/dbraw/zinc/15/85/60/555158560.db2.gz	MTAVSQLFPMDXBX-GCPOPKDISA-N	0	1	579.726	5.291	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000102931694	555159256	/nfs/dbraw/zinc/15/92/56/555159256.db2.gz	DHGCQJIOEGMDGS-AYWGPLOBSA-N	0	1	520.563	5.240	50	30		KKEAMN
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1	ZINC000102931693	555159259	/nfs/dbraw/zinc/15/92/59/555159259.db2.gz	DHGCQJIOEGMDGS-ZHHPLPSFSA-N	0	1	520.563	5.240	50	30		KKEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(Br)cc1	ZINC000102932744	555160258	/nfs/dbraw/zinc/16/02/58/555160258.db2.gz	IRXCPKDMXZTXEA-ZHHPLPSFSA-N	0	1	516.432	5.251	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(Br)c2)nc1C	ZINC000102934994	555162331	/nfs/dbraw/zinc/16/23/31/555162331.db2.gz	UCJDOAPWAOPEQM-YDJIHCHBSA-N	0	1	571.449	5.334	50	30		KKEAMN
CC(=O)C1C(Nc2ccc(Br)cc2)=C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(Br)cc1	ZINC000102993685	555193719	/nfs/dbraw/zinc/19/37/19/555193719.db2.gz	QCNSPDJXBZFUHE-ZRBLBEILSA-N	0	1	521.249	5.610	50	30		KKEAMN
CCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1	ZINC000102996051	555195408	/nfs/dbraw/zinc/19/54/08/555195408.db2.gz	NBPBIWLHJKXDLZ-LJAQVGFWSA-N	0	1	513.723	5.646	50	30		KKEAMN
CCCCCCCCCCCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C1CC1	ZINC000102999572	555199287	/nfs/dbraw/zinc/19/92/87/555199287.db2.gz	MTPMFVVLSONUIX-UHFFFAOYSA-N	0	1	539.784	6.874	50	30		KKEAMN
COc1ccc(N2C(=O)C(Nc3ccc(C)c(C)c3)=C(Sc3cccc(NS(=O)(=O)c4ccccc4C#N)c3)C2=O)cc1	ZINC000103439452	555419515	/nfs/dbraw/zinc/41/95/15/555419515.db2.gz	MPNLVXLPJLHGLM-UHFFFAOYSA-N	0	1	610.717	5.974	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Br)c2)nc1C	ZINC000103929021	571370158	/nfs/dbraw/zinc/37/01/58/571370158.db2.gz	GCMOQPFZYQVVGK-YDJIHCHBSA-N	0	1	571.449	5.334	50	30		KKEAMN
O=C(NC(Cc1ccccc1)Cc1ccccc1)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=N/O	ZINC000104168855	571375936	/nfs/dbraw/zinc/37/59/36/571375936.db2.gz	NOLMQFZJDOWUDN-CCFHIKDMSA-N	0	1	567.514	5.202	50	30		KKEAMN
O=C1/C(=N\c2ccc3ccccc3c2)c2ccccc2N1CN1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000140438489	571455869	/nfs/dbraw/zinc/45/58/69/571455869.db2.gz	KTNQBBFYKXGENZ-LLLYXHGFSA-N	0	1	536.679	6.672	50	30		KKEAMN
Oc1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3cccc(I)c3)nc2c1	ZINC000150351473	571462268	/nfs/dbraw/zinc/46/22/68/571462268.db2.gz	DUEOPEMBTWJRMN-YSURURNPSA-N	0	1	692.032	6.765	50	30		KKEAMN
CCCCCCCCCCCCNC(=O)c1cc(Sc2nnc(CCCCCCCCC)n2-c2ccccc2)c2ccccc2c1O	ZINC000150390470	571472883	/nfs/dbraw/zinc/47/28/83/571472883.db2.gz	OTVFKFRGHVZGSY-UHFFFAOYSA-N	0	1	656.981	11.221	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C	ZINC000150391811	571474070	/nfs/dbraw/zinc/47/40/70/571474070.db2.gz	JSTOTQSGCXBOQK-WGGXKBPPSA-N	0	1	640.714	6.412	50	30		KKEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC	ZINC000150418228	571486489	/nfs/dbraw/zinc/48/64/89/571486489.db2.gz	OLFGLYICHWZGNE-ONQGDUAMSA-N	0	1	666.177	6.679	50	30		KKEAMN
CCCCCCCCCCNS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)NCCCCCCCCCC)cc1[N+](=O)[O-])C2=NO	ZINC000150419744	571487216	/nfs/dbraw/zinc/48/72/16/571487216.db2.gz	MDPVCWFODXKZHN-UHFFFAOYSA-N	0	1	723.915	7.548	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C	ZINC000150422200	571488131	/nfs/dbraw/zinc/48/81/31/571488131.db2.gz	VESWORFXTAHDFI-RIEKNRFYSA-N	0	1	706.286	8.257	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C	ZINC000150424239	571488983	/nfs/dbraw/zinc/48/89/83/571488983.db2.gz	UINYYWOMOFCRBU-ZAOVDLIJSA-N	0	1	685.868	7.912	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1	ZINC000150426565	571490889	/nfs/dbraw/zinc/49/08/89/571490889.db2.gz	FACPDLLUUXPGRE-NXLSWJSLSA-N	0	1	670.552	6.321	50	30		KKEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1	ZINC000150426637	571490944	/nfs/dbraw/zinc/49/09/44/571490944.db2.gz	MWQIIKDOJYSFOA-HYVCFMKYSA-N	0	1	649.750	6.720	50	30		KKEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1	ZINC000150426799	571491213	/nfs/dbraw/zinc/49/12/13/571491213.db2.gz	GOCQOEBYHGTZJY-WBMUNJTESA-N	0	1	634.135	6.220	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1	ZINC000150435503	571495416	/nfs/dbraw/zinc/49/54/16/571495416.db2.gz	DAGLJGLTWUUADW-DNPZSINUSA-N	0	1	726.276	8.411	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1	ZINC000150435589	571495439	/nfs/dbraw/zinc/49/54/39/571495439.db2.gz	PMSLSEYZZZLOFU-CCZMWYOPSA-N	0	1	741.891	8.911	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1	ZINC000150435790	571495736	/nfs/dbraw/zinc/49/57/36/571495736.db2.gz	ZSBDCRHJZKDDML-SZYGQJGOSA-N	0	1	711.793	7.345	50	30		KKEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1	ZINC000150435794	571495771	/nfs/dbraw/zinc/49/57/71/571495771.db2.gz	APLJYLUXTBNVOF-SZYGQJGOSA-N	0	1	762.693	8.512	50	30		KKEAMN
COc1ccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC	ZINC000150438535	571497027	/nfs/dbraw/zinc/49/70/27/571497027.db2.gz	JMDYYXMNXJJJTR-LJAQVGFWSA-N	0	1	692.844	8.216	50	30		KKEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1	ZINC000150440064	571497847	/nfs/dbraw/zinc/49/78/47/571497847.db2.gz	IXWKXDUJSMOLAL-HTDBSKDNSA-N	0	1	709.821	7.897	50	30		KKEAMN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150445562	571500675	/nfs/dbraw/zinc/50/06/75/571500675.db2.gz	LAAMMYNYDCEMFW-QBCYBHDASA-N	0	1	662.233	8.003	50	30		KKEAMN
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C	ZINC000150445924	571500967	/nfs/dbraw/zinc/50/09/67/571500967.db2.gz	OPUWBSBBCHVGPY-CZNAVJSXSA-N	0	1	637.541	7.449	50	30		KKEAMN
CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1	ZINC000150456467	571504476	/nfs/dbraw/zinc/50/44/76/571504476.db2.gz	ZYHCKQCFPXWTBE-VEZPTTSMSA-N	0	1	661.519	10.115	50	30		KKEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O	ZINC000150456103	571504557	/nfs/dbraw/zinc/50/45/57/571504557.db2.gz	QPSUHMLPVOAMRW-UVDRRRQGSA-N	0	1	623.481	5.787	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1	ZINC000150457922	571505182	/nfs/dbraw/zinc/50/51/82/571505182.db2.gz	OYVLFCJSEYMCOG-RIEKNRFYSA-N	0	1	665.768	7.498	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C	ZINC000150458634	571505405	/nfs/dbraw/zinc/50/54/05/571505405.db2.gz	TVJYVSLHHKCCKS-QMMFTLRZSA-N	0	1	654.741	6.715	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)s2)cc1	ZINC000150458127	571505546	/nfs/dbraw/zinc/50/55/46/571505546.db2.gz	HXNLTSRGMGIPIT-VIDUVWHZSA-N	0	1	661.805	7.668	50	30		KKEAMN
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)s2)cc1	ZINC000150458116	571505550	/nfs/dbraw/zinc/50/55/50/571505550.db2.gz	HXNLTSRGMGIPIT-ZAOVDLIJSA-N	0	1	661.805	7.668	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC	ZINC000150460306	571505906	/nfs/dbraw/zinc/50/59/06/571505906.db2.gz	PSQUSMYICFTOTI-VGZNNGDKSA-N	0	1	692.259	8.011	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150460458	571506058	/nfs/dbraw/zinc/50/60/58/571506058.db2.gz	ALQKXVGNBJDBLA-HWTUVFLMSA-N	0	1	661.777	7.107	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC	ZINC000150460641	571506139	/nfs/dbraw/zinc/50/61/39/571506139.db2.gz	LXHVFFQYHQIHKY-IBGUXELQSA-N	0	1	707.874	8.511	50	30		KKEAMN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1	ZINC000150461178	571506401	/nfs/dbraw/zinc/50/64/01/571506401.db2.gz	MCJRIDKPEDKFFD-QMDVFYPZSA-N	0	1	696.678	8.656	50	30		KKEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC	ZINC000150462868	571506752	/nfs/dbraw/zinc/50/67/52/571506752.db2.gz	ZVYZBUBZZSZXNM-VGZNNGDKSA-N	0	1	675.804	7.497	50	30		KKEAMN
C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C	ZINC000150463327	571506944	/nfs/dbraw/zinc/50/69/44/571506944.db2.gz	JRXFWVPVMBRSDX-JDDIYYEHSA-N	0	1	641.496	5.221	50	30		KKEAMN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150463164	571506966	/nfs/dbraw/zinc/50/69/66/571506966.db2.gz	IDKBOMZMDYJKGY-DNNDWWBDSA-N	0	1	662.233	7.858	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000150462984	571507064	/nfs/dbraw/zinc/50/70/64/571507064.db2.gz	PYLDXMLOKZKIHF-ZHHPLPSFSA-N	0	1	646.961	7.188	50	30		KKEAMN
O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2	ZINC000150462986	571507067	/nfs/dbraw/zinc/50/70/67/571507067.db2.gz	PYLDXMLOKZKIHF-AYWGPLOBSA-N	0	1	646.961	7.188	50	30		KKEAMN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150463398	571507317	/nfs/dbraw/zinc/50/73/17/571507317.db2.gz	NAZIKHTWASDAMV-ZAOVDLIJSA-N	0	1	685.868	8.056	50	30		KKEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150463696	571507339	/nfs/dbraw/zinc/50/73/39/571507339.db2.gz	HZMUETVAUGBJME-WYNCGZBVSA-N	0	1	648.206	7.612	50	30		KKEAMN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1	ZINC000150464007	571507514	/nfs/dbraw/zinc/50/75/14/571507514.db2.gz	DXVHJJDRGKOWGR-KGDZIIOTSA-N	0	1	623.481	5.731	50	30		KKEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1	ZINC000150463698	571507544	/nfs/dbraw/zinc/50/75/44/571507544.db2.gz	HZMUETVAUGBJME-DZTJFIFISA-N	0	1	648.206	7.612	50	30		KKEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1	ZINC000150472716	571510219	/nfs/dbraw/zinc/51/02/19/571510219.db2.gz	JVGWSARPEKHLOS-KNZGKXHUSA-N	0	1	628.534	7.226	50	30		KKEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1	ZINC000150480419	571511979	/nfs/dbraw/zinc/51/19/79/571511979.db2.gz	RMHLKELEGUMZCP-VEZPTTSMSA-N	0	1	649.750	6.946	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC	ZINC000150480962	571512264	/nfs/dbraw/zinc/51/22/64/571512264.db2.gz	DEPFJGMSBRVXGD-WGGXKBPPSA-N	0	1	659.786	6.806	50	30		KKEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC	ZINC000150481977	571512937	/nfs/dbraw/zinc/51/29/37/571512937.db2.gz	ILPNVUKTFGLKBO-WGGXKBPPSA-N	0	1	677.776	6.945	50	30		KKEAMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(Br)c2)cc1F	ZINC000150483261	571514039	/nfs/dbraw/zinc/51/40/39/571514039.db2.gz	ZJOPOESRAQECML-AREMUKBSSA-N	0	1	646.563	7.977	50	30		KKEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC	ZINC000150484755	571515263	/nfs/dbraw/zinc/51/52/63/571515263.db2.gz	PDEIGHZULVIIMG-WGGXKBPPSA-N	0	1	659.786	6.724	50	30		KKEAMN
N=C1O[C@H](c2ccc([C@@H]3OC(=N)C(N=Nc4ccccc4)=C3NNc3ccccc3)cc2)C(N=Nc2ccccc2)C1=NNc1ccccc1	ZINC000150661528	571527398	/nfs/dbraw/zinc/52/73/98/571527398.db2.gz	HCBZHEUGOSKSSC-OHGFDCTLSA-N	0	1	660.742	7.656	50	30		KKEAMN
C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnc2ccc(OC)cc21	ZINC000199519884	571569021	/nfs/dbraw/zinc/56/90/21/571569021.db2.gz	IQMKPBFOEWWDIQ-FSTMGOICSA-N	0	1	594.625	7.205	50	30		KKEAMN
C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]1C[C@@H](C1=CCOC1=O)N1CCN(c2ccccc2F)CC1	ZINC000250604812	572259162	/nfs/dbraw/zinc/25/91/62/572259162.db2.gz	ANBNJZPPIQCICX-VIHPJYLMSA-N	0	1	596.740	5.073	50	30		KKEAMN
Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CN2CCCC[C@H]2c2cccnc2)cc1	ZINC000252430681	572260707	/nfs/dbraw/zinc/26/07/07/572260707.db2.gz	DFVFJGJCWKJBRM-UVMMSNCQSA-N	0	1	534.704	6.760	50	30		KKEAMN
Oc1c(I)cc(I)cc1C=Nc1ccc2[nH]c(-c3ccccc3)nc2c1	ZINC000252592726	572266796	/nfs/dbraw/zinc/26/67/96/572266796.db2.gz	BFURCHACHZIBGR-UHFFFAOYSA-N	0	1	565.152	5.895	50	30		KKEAMN
O=[N+]([O-])c1ccc(Nc2ccc(N=Cc3cc(Br)cc(Br)c3O)cc2)c([N+](=O)[O-])c1	ZINC000252597966	572267183	/nfs/dbraw/zinc/26/71/83/572267183.db2.gz	CWRUGDIMVPQWCN-UHFFFAOYSA-N	0	1	536.136	6.228	50	30		KKEAMN
Cc1ccc(Nc2nc(N=NCc3cc([N+](=O)[O-])ccc3Cl)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1	ZINC000252602780	572267563	/nfs/dbraw/zinc/26/75/63/572267563.db2.gz	FLKLOLSUMMNQPU-UHFFFAOYSA-N	0	1	557.058	6.390	50	30		KKEAMN
CCOc1cc(Br)c(Br)c(C=Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)c1O	ZINC000252607325	572267880	/nfs/dbraw/zinc/26/78/80/572267880.db2.gz	HAMKLIAFCVSLQN-UHFFFAOYSA-N	0	1	546.215	6.889	50	30		KKEAMN
Cc1cccc(C)c1OCCOc1c(Cl)cc(Cl)cc1C=NN=c1nc(N2CCCC2)[nH]c(N2CCCC2)n1	ZINC000252609577	572268205	/nfs/dbraw/zinc/26/82/05/572268205.db2.gz	HUZBPJMSJFGEOX-UHFFFAOYSA-N	0	1	570.525	5.899	50	30		KKEAMN
O=[N+]([O-])c1ccc(C=Nc2ccc(-c3ccc(Nc4c([N+](=O)[O-])cc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)cc2)c(O)c1	ZINC000252635227	572271714	/nfs/dbraw/zinc/27/17/14/572271714.db2.gz	WVRUEYVUZBNLHI-UHFFFAOYSA-N	0	1	544.436	6.186	50	30		KKEAMN
Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C=Nc2nc3ccccc3n2Cc2ccccc2)cc1	ZINC000252634465	572271742	/nfs/dbraw/zinc/27/17/42/572271742.db2.gz	WOCMZYJDIZHCEO-UHFFFAOYSA-N	0	1	525.590	5.853	50	30		KKEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3cccc(Oc4ccccc4)c3)C1=O)O2	ZINC000253414519	572288802	/nfs/dbraw/zinc/28/88/02/572288802.db2.gz	XSBLXRIBHINXBO-RZMWZYTASA-N	0	1	525.557	5.151	50	30		KKEAMN