smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@H]1C(=O)N2C(=O)[C@@H]1CCCCOc1ccc(cc1)C[C@H]2C(=O)NCCCCCC(=O)N[O-]	ZINC000003817901	561683127	/nfs/dbraw/zinc/68/31/27/561683127.db2.gz	JUOXUGXZWHMIOA-ZLNRFVROSA-N	-1	3	501.624	2.990	1	30		KFEFHM
CC#CCOc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)c3ccccc3)C[C@H]2C(=O)N[O-])cc1	ZINC000003820774	561683289	/nfs/dbraw/zinc/68/32/89/561683289.db2.gz	ASLUWSDEBRNVJV-VWLOTQADSA-N	-1	3	519.579	2.814	1	30		KFEFHM
NC(=N[N+](=O)[O-])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)[C@H](CCC(F)(F)F)N([O-])C=O)C(=O)Nc1nccs1	ZINC000003923976	561686287	/nfs/dbraw/zinc/68/62/87/561686287.db2.gz	JLPMPXKOGZSSRK-SQNIBIBYSA-N	-1	3	608.644	2.588	1	30		KFEFHM
COc1ccc(S(=O)(=O)N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)c(C(=O)[N-]O)c1OC	ZINC000003924264	561686304	/nfs/dbraw/zinc/68/63/04/561686304.db2.gz	SWDPDYNSAGSRKE-UHFFFAOYSA-N	-1	3	520.482	2.954	1	30		KFEFHM
O=C(CNC(=O)OCc1ccccc1)N[C@H](CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)C(=O)N[O-]	ZINC000003924295	561686254	/nfs/dbraw/zinc/68/62/54/561686254.db2.gz	HFRVBHDSTQXYIU-JOCHJYFZSA-N	-1	3	543.623	2.528	1	30		KFEFHM
O=C(CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)N[O-])[C@@H](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C(=O)N1)N1CCOCC1	ZINC000003944005	561689726	/nfs/dbraw/zinc/68/97/26/561689726.db2.gz	RWKJBOMUESGCBO-REUBFRLUSA-N	-1	3	705.731	2.803	1	30		KFEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CCCOCc1ccccc1)[C@H](OCc1ccc2nc(C)[nH]c(=O)c2c1)C(=O)N[O-])C(C)(C)C	ZINC000004805533	561695441	/nfs/dbraw/zinc/69/54/41/561695441.db2.gz	YJPYNLASIFTSPY-ZSQFBXSQSA-N	-1	3	595.697	2.512	1	30		KFEFHM
CC#CCOc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)c3ccccc3)C[C@@H]2C(=O)N[O-])cc1	ZINC000005494235	561696053	/nfs/dbraw/zinc/69/60/53/561696053.db2.gz	ASLUWSDEBRNVJV-RUZDIDTESA-N	-1	3	519.579	2.814	1	30		KFEFHM
O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N[O-]	ZINC000010450275	561709304	/nfs/dbraw/zinc/70/93/04/561709304.db2.gz	UGMRVUAZVAXFHK-UHFFFAOYSA-N	-1	3	507.287	2.658	1	30		KFEFHM
O=C(CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N[O-]	ZINC000010450281	561709330	/nfs/dbraw/zinc/70/93/30/561709330.db2.gz	ZHENEPVPETWBJM-UHFFFAOYSA-N	-1	3	507.287	2.658	1	30		KFEFHM
CS(=O)(=O)Nc1cccc(-c2ccc(C[C@H](CC(=O)N[O-])C(=O)N[C@H]3c4ccccc4C[C@H]3O)cc2)c1	ZINC000013436340	561711951	/nfs/dbraw/zinc/71/19/51/561711951.db2.gz	FPXJIRSUGPCTBC-QQSVUBKYSA-N	-1	3	523.611	2.554	1	30		KFEFHM
COc1ccc(C[C@H](C(=O)N[O-])N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000013440793	561712615	/nfs/dbraw/zinc/71/26/15/561712615.db2.gz	GJZYDFICBCLUIW-JOCHJYFZSA-N	-1	3	514.556	2.740	1	30		KFEFHM
COC(=O)c1ccc(CN([C@H](Cc2cccs2)C(=O)N[O-])S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000013440846	561712646	/nfs/dbraw/zinc/71/26/46/561712646.db2.gz	ZYVKXSXHTOYRPC-OAQYLSRUSA-N	-1	3	504.586	2.851	1	30		KFEFHM
COC(=O)CC[C@H](C(=O)N[O-])N(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)cc1	ZINC000013535574	561717928	/nfs/dbraw/zinc/71/79/28/561717928.db2.gz	NNJQHMKRPUPPNU-GOSISDBHSA-N	-1	3	504.483	2.732	1	30		KFEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2	ZINC000013776899	561728632	/nfs/dbraw/zinc/72/86/32/561728632.db2.gz	MYGNBBVBBNZVCZ-GCJKJVERSA-N	-1	3	508.575	2.798	1	30		KFEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nc2ccccc2[nH]1	ZINC000013776918	561728628	/nfs/dbraw/zinc/72/86/28/561728628.db2.gz	QZRDSGNFNCBFPU-HXOBKFHXSA-N	-1	3	504.591	2.946	1	30		KFEFHM
CS(=O)(=O)[N-][C@H](COCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccc(OCc2ccccc2)cc1	ZINC000013780257	561729005	/nfs/dbraw/zinc/72/90/05/561729005.db2.gz	RLWHWANZNLEGCV-AZGAKELHSA-N	-1	3	510.612	2.626	1	30		KFEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](Sc1ccc2c(c1)CCC(=O)N2C)C(=O)N[O-])C(C)(C)C	ZINC000013802331	561730753	/nfs/dbraw/zinc/73/07/53/561730753.db2.gz	UINDEMWXTHSHSS-JRGCBEDISA-N	-1	3	506.669	2.501	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(CC(=O)N[O-])Cc2ccc([N+](=O)[O-])cc2)cc1NC(=O)OC(C)(C)C	ZINC000013808285	561731634	/nfs/dbraw/zinc/73/16/34/561731634.db2.gz	ATNNMKHWMHMLHP-UHFFFAOYSA-N	-1	3	510.525	2.647	1	30		KFEFHM
COc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)CCc3ccccc3)C[C@@H]2C(=O)N[O-])cc1	ZINC000013818589	561732325	/nfs/dbraw/zinc/73/23/25/561732325.db2.gz	ZLOBLTFULLQWKZ-XMMPIXPASA-N	-1	3	509.584	2.740	1	30		KFEFHM
COc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)CCc3ccccc3)C[C@H]2C(=O)N[O-])cc1	ZINC000013818591	561732403	/nfs/dbraw/zinc/73/24/03/561732403.db2.gz	ZLOBLTFULLQWKZ-DEOSSOPVSA-N	-1	3	509.584	2.740	1	30		KFEFHM
COc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)c3cc(F)ccc3C)C[C@@H]2C(=O)N[O-])cc1	ZINC000013818593	561732399	/nfs/dbraw/zinc/73/23/99/561732399.db2.gz	YPEMWYFQTIBRAB-HSZRJFAPSA-N	-1	3	513.547	2.868	1	30		KFEFHM
COc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)c3cc(F)ccc3C)C[C@H]2C(=O)N[O-])cc1	ZINC000013818595	561732406	/nfs/dbraw/zinc/73/24/06/561732406.db2.gz	YPEMWYFQTIBRAB-QHCPKHFHSA-N	-1	3	513.547	2.868	1	30		KFEFHM
CCOc1ccc(C(=O)N2C[C@@H](C(=O)N[O-])N(S(=O)(=O)c3ccc(OC)cc3)Cc3ccccc32)cc1	ZINC000013818600	561732395	/nfs/dbraw/zinc/73/23/95/561732395.db2.gz	FMPSZEWYBZCYDN-DEOSSOPVSA-N	-1	3	525.583	2.819	1	30		KFEFHM
CCOc1ccc(C(=O)N2C[C@H](C(=O)N[O-])N(S(=O)(=O)c3ccc(OC)cc3)Cc3ccccc32)cc1	ZINC000013818602	561732416	/nfs/dbraw/zinc/73/24/16/561732416.db2.gz	FMPSZEWYBZCYDN-XMMPIXPASA-N	-1	3	525.583	2.819	1	30		KFEFHM
CN1CCN(C(=O)CCCCC2=C(CCCCC(=O)N3CCN(C)CC3)C(=O)c3c([O-])cccc3C2=O)CC1	ZINC000013861893	561734775	/nfs/dbraw/zinc/73/47/75/561734775.db2.gz	YASVNLMLQYFCTQ-UHFFFAOYSA-N	-1	3	538.689	2.737	1	30		KFEFHM
O=C(CNC(=O)OCc1ccccc1)N[C@@H](CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)C(=O)N[O-]	ZINC000014128463	561736937	/nfs/dbraw/zinc/73/69/37/561736937.db2.gz	HFRVBHDSTQXYIU-QFIPXVFZSA-N	-1	3	543.623	2.528	1	30		KFEFHM
CC(C)(C)OC(=O)C(O)(CC(=O)NCCCN([O-])C(=O)/C=C/c1ccccc1)CC(=O)NCCCN(O)C(=O)/C=C/c1ccccc1	ZINC000026170943	561769899	/nfs/dbraw/zinc/76/98/99/561769899.db2.gz	UFSNZTAMGVMYIX-YWNVXTCZSA-N	-1	3	652.745	2.714	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCCNC(=O)c2ccccc2)C(=O)N[O-])cc1	ZINC000026175123	561770716	/nfs/dbraw/zinc/77/07/16/561770716.db2.gz	DQDADFDSBHVWPP-HSZRJFAPSA-N	-1	3	555.609	2.699	1	30		KFEFHM
COc1ccc(S(=O)(=O)N[C@H](CCCNC(=O)N[C@H](C)c2cccc3ccccc32)C(=O)N[O-])cc1	ZINC000026175127	561770736	/nfs/dbraw/zinc/77/07/36/561770736.db2.gz	XOSQEUWERVACEX-UZUQRXQVSA-N	-1	3	514.604	2.841	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCCNC(=O)NCc2ccccc2)C(=O)N[O-])cc1	ZINC000026176552	561770966	/nfs/dbraw/zinc/77/09/66/561770966.db2.gz	XRJNDKYPVPBXFS-XMMPIXPASA-N	-1	3	584.651	2.768	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CNC(=O)c2ccccc2-n2cccc2)C(=O)N[O-])cc1	ZINC000026182260	561771970	/nfs/dbraw/zinc/77/19/70/561771970.db2.gz	MSVYOHJBZPCAPG-RUZDIDTESA-N	-1	3	592.630	2.710	1	30		KFEFHM
C[C@@H](NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)c2cccs2)cc1)C(=O)N[O-])c1ccccc1	ZINC000026182496	561771992	/nfs/dbraw/zinc/77/19/92/561771992.db2.gz	KPCUJIYEDCNZNQ-DYESRHJHSA-N	-1	3	580.710	2.574	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCCNC(=O)OCC(C)C)C(=O)N[O-])cc1	ZINC000026184975	561772409	/nfs/dbraw/zinc/77/24/09/561772409.db2.gz	PJGYWLQDFBQRBK-OAQYLSRUSA-N	-1	3	551.618	2.651	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCNC(=O)CCc2nc3ccccc3[nH]2)C(=O)N[O-])cc1	ZINC000026185337	561772523	/nfs/dbraw/zinc/77/25/23/561772523.db2.gz	LGQDWTDDKYTDOP-XMMPIXPASA-N	-1	3	609.661	2.504	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCCNC(=O)NCCc2ccccc2)C(=O)N[O-])cc1	ZINC000026186698	561772788	/nfs/dbraw/zinc/77/27/88/561772788.db2.gz	HKUSJXROEBOZMN-RUZDIDTESA-N	-1	3	598.678	2.811	1	30		KFEFHM
COc1ccc(S(=O)(=O)N[C@@H](CCCNC(=O)N[C@H](C)c2cccc3ccccc32)C(=O)N[O-])cc1	ZINC000026251442	561774232	/nfs/dbraw/zinc/77/42/32/561774232.db2.gz	XOSQEUWERVACEX-HXOBKFHXSA-N	-1	3	514.604	2.841	1	30		KFEFHM
CCOc1ccc(NC(=O)NC[C@H](C(=O)N[O-])N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000026252407	561774341	/nfs/dbraw/zinc/77/43/41/561774341.db2.gz	UVQSMXDFHINCNW-HSZRJFAPSA-N	-1	3	586.623	2.709	1	30		KFEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCCN1CCOCC1	ZINC000026293927	561781025	/nfs/dbraw/zinc/78/10/25/561781025.db2.gz	CVRRBTAXFZBMPH-KAYWLYCHSA-N	-1	3	538.689	2.777	1	30		KFEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1c2ccccc2C[C@@H]1O	ZINC000026295653	561781516	/nfs/dbraw/zinc/78/15/16/561781516.db2.gz	UKNOMEZXDWRZAF-IUGKGNRASA-N	-1	3	506.603	2.528	1	30		KFEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O	ZINC000026295657	561781539	/nfs/dbraw/zinc/78/15/39/561781539.db2.gz	UKNOMEZXDWRZAF-OCBMDVHSSA-N	-1	3	506.603	2.528	1	30		KFEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000026295966	561781465	/nfs/dbraw/zinc/78/14/65/561781465.db2.gz	UKNOMEZXDWRZAF-WALYIZILSA-N	-1	3	506.603	2.528	1	30		KFEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1c2ccccc2C[C@H]1O	ZINC000026295973	561781483	/nfs/dbraw/zinc/78/14/83/561781483.db2.gz	UKNOMEZXDWRZAF-NNPHLICASA-N	-1	3	506.603	2.528	1	30		KFEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNC(=O)OCc1ccccc1	ZINC000026376537	561782155	/nfs/dbraw/zinc/78/21/55/561782155.db2.gz	FFEXFXFAIZBMGO-BWKNWUBXSA-N	-1	3	551.644	2.796	1	30		KFEFHM
O=C(CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)N[O-])NCCC(=O)N1CCOCC1	ZINC000026386398	561784553	/nfs/dbraw/zinc/78/45/53/561784553.db2.gz	NGMNLVMLTVTIKU-VPUSJEBWSA-N	-1	3	650.217	2.501	1	30		KFEFHM
Cc1ccc(CCC[C@H](CC(=O)N[O-])C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000026386721	561784558	/nfs/dbraw/zinc/78/45/58/561784558.db2.gz	RJDSAKRTODCGAU-DGPALRBDSA-N	-1	3	671.861	2.797	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)N2CCN(C(=O)Nc3cccc(OC)c3)CC2)C(=O)N[O-])cc1	ZINC000026399699	561787959	/nfs/dbraw/zinc/78/79/59/561787959.db2.gz	ITUNKBBDWXXSDR-HHHXNRCGSA-N	-1	3	683.740	2.654	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C(=O)N[O-])cc1	ZINC000026400309	561788101	/nfs/dbraw/zinc/78/81/01/561788101.db2.gz	CVIQGUPMBGPAGG-HHHXNRCGSA-N	-1	3	624.716	2.613	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)NCc2ccccc2)C(=O)N[O-])cc1	ZINC000026402503	561788824	/nfs/dbraw/zinc/78/88/24/561788824.db2.gz	KCYVYEKUJBZSIA-HSZRJFAPSA-N	-1	3	555.609	2.585	1	30		KFEFHM
COC(=O)CCNC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)N[O-]	ZINC000026403722	561789228	/nfs/dbraw/zinc/78/92/28/561789228.db2.gz	ZAYGCPGBYLINSH-VWNXMTODSA-N	-1	3	595.137	2.815	1	30		KFEFHM
COc1ccc(NC(=O)N2CCN(C(=O)CC[C@H](C(=O)N[O-])N(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(OC)cc3)CC2)cc1	ZINC000026404617	561789680	/nfs/dbraw/zinc/78/96/80/561789680.db2.gz	OFZVYCJFRAOYDT-HHHXNRCGSA-N	-1	3	683.740	2.654	1	30		KFEFHM
CCCCOc1ccc(S(=O)(=O)C2(C(=O)N[O-])CCN(Cc3cccc(OCCN4CCOCC4)c3)CC2)cc1	ZINC000026470175	561790273	/nfs/dbraw/zinc/79/02/73/561790273.db2.gz	DDHYHOSBNZTEDO-UHFFFAOYSA-N	-1	3	575.728	2.890	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)NCC2CCCCC2)C(=O)N[O-])cc1	ZINC000026470257	561790398	/nfs/dbraw/zinc/79/03/98/561790398.db2.gz	HDIGUYYGQSTEGC-HSZRJFAPSA-N	-1	3	561.657	2.966	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)N(CCC#N)Cc2cccnc2)C(=O)N[O-])cc1	ZINC000026470301	561790406	/nfs/dbraw/zinc/79/04/06/561790406.db2.gz	RSRSXGDEUHJYRK-RUZDIDTESA-N	-1	3	609.661	2.606	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)N2CCN(c3ccccc3)CC2)C(=O)N[O-])cc1	ZINC000026470310	561790418	/nfs/dbraw/zinc/79/04/18/561790418.db2.gz	JTSDUGZWIVLHQO-AREMUKBSSA-N	-1	3	610.689	2.618	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C(=O)N[O-])cc1	ZINC000026472369	561790711	/nfs/dbraw/zinc/79/07/11/561790711.db2.gz	QXRPAVFLMONUIM-HHHXNRCGSA-N	-1	3	668.725	2.750	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(OC(C)(C)C(=O)N[O-])cccc2C(=O)NO)cc1	ZINC000026472700	561790687	/nfs/dbraw/zinc/79/06/87/561790687.db2.gz	CXRZYJPQMZBWAW-UHFFFAOYSA-N	-1	3	529.571	2.873	1	30		KFEFHM
O=C(N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[O-])OCc1ccccc1	ZINC000026500328	561795350	/nfs/dbraw/zinc/79/53/50/561795350.db2.gz	SMSMIDCUEPZQLZ-RPBOFIJWSA-N	-1	3	516.554	2.944	1	30		KFEFHM
CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[O-]	ZINC000026500958	561795488	/nfs/dbraw/zinc/79/54/88/561795488.db2.gz	ANJWUVVNHSIYSG-UWCPCEDSSA-N	-1	3	599.685	2.884	1	30		KFEFHM
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[O-]	ZINC000026500961	561795427	/nfs/dbraw/zinc/79/54/27/561795427.db2.gz	ANJWUVVNHSIYSG-DNQHQPOYSA-N	-1	3	599.685	2.884	1	30		KFEFHM
CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CNC(=O)OCc1ccccc1)C(=O)NO	ZINC000026501012	561795459	/nfs/dbraw/zinc/79/54/59/561795459.db2.gz	LXFUKPABMAUHPN-DCPHZVHLSA-N	-1	3	575.471	2.603	1	30		KFEFHM
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Br)c(Br)c1)C(=O)N[C@@H](CNC(=O)OCc1ccccc1)C(=O)N[O-]	ZINC000026501270	561795585	/nfs/dbraw/zinc/79/55/85/561795585.db2.gz	KSGNYIAWXWCYQK-GKCIPKSASA-N	-1	3	664.373	2.821	1	30		KFEFHM
CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[O-]	ZINC000026501273	561795567	/nfs/dbraw/zinc/79/55/67/561795567.db2.gz	OBZCLKZMHUBZHG-GFRNBQLOSA-N	-1	3	547.678	2.548	1	30		KFEFHM
CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[O-]	ZINC000026501276	561795594	/nfs/dbraw/zinc/79/55/94/561795594.db2.gz	OBZCLKZMHUBZHG-MNAPGUCWSA-N	-1	3	547.678	2.548	1	30		KFEFHM
O=C([N-]O)c1c(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)ccc2c1OCCO2	ZINC000026503360	561795995	/nfs/dbraw/zinc/79/59/95/561795995.db2.gz	NBKLHSQMSJZFJF-UHFFFAOYSA-N	-1	3	502.467	2.828	1	30		KFEFHM
CC[C@H](C)[C@H](NS(=O)(=O)c1cc(C)c(Cl)cc1C)C(=O)N[C@@H](CNC(=O)OCc1ccccc1)C(=O)N[O-]	ZINC000026503581	561796115	/nfs/dbraw/zinc/79/61/15/561796115.db2.gz	YBRUBPUMEJAXQM-LVWPNOBMSA-N	-1	3	569.080	2.566	1	30		KFEFHM
CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(Br)c(Br)c1)C(=O)N[C@H](Cc1cscn1)C(=O)N[O-]	ZINC000026507836	561796813	/nfs/dbraw/zinc/79/68/13/561796813.db2.gz	OOWWPIGVXWIYHL-UHNFBRDESA-N	-1	3	598.339	2.594	1	30		KFEFHM
CC[C@@H](C)[C@H](NC(=O)[C@@H](COCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[O-]	ZINC000026507990	561797009	/nfs/dbraw/zinc/79/70/09/561797009.db2.gz	FUSXMBHVTNKZLD-ZFILCQGISA-N	-1	3	611.721	2.719	1	30		KFEFHM
CC[C@@H](C)[C@H](NC(=O)[C@H](COCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[O-]	ZINC000026507993	561796897	/nfs/dbraw/zinc/79/68/97/561796897.db2.gz	FUSXMBHVTNKZLD-CHQQOIJLSA-N	-1	3	611.721	2.719	1	30		KFEFHM
CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1Br)C(=O)N[C@H](Cc1cscn1)C(=O)N[O-]	ZINC000026568263	561797538	/nfs/dbraw/zinc/79/75/38/561797538.db2.gz	QQGLWJZGBBZMRF-CSMYWGQOSA-N	-1	3	513.414	2.779	1	30		KFEFHM
CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[O-]	ZINC000026571154	561798158	/nfs/dbraw/zinc/79/81/58/561798158.db2.gz	GPSYUIZFJKLCBG-HVVFZDMJSA-N	-1	3	581.695	2.744	1	30		KFEFHM
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[O-]	ZINC000026571158	561798207	/nfs/dbraw/zinc/79/82/07/561798207.db2.gz	GPSYUIZFJKLCBG-RYCFVGSHSA-N	-1	3	581.695	2.744	1	30		KFEFHM
CC(C)(C)[C@H](NC(=O)[C@H](CCCCOc1ccc(Cl)cc1)CC(=O)N[O-])C(=O)NCCCN1CCOCC1	ZINC000026574049	561798742	/nfs/dbraw/zinc/79/87/42/561798742.db2.gz	REPZHAUIJREHGP-HYBUGGRVSA-N	-1	3	555.116	2.770	1	30		KFEFHM
CC(C)(C)[C@H](NC(=O)[C@H](CCCCOc1ccc(Cl)cc1)CC(=O)N[O-])C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000026576840	561800685	/nfs/dbraw/zinc/80/06/85/561800685.db2.gz	HXQYFGDVXCVBKX-CJFMBICVSA-N	-1	3	611.161	2.938	1	30		KFEFHM
COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCCNC(=O)OCCC[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N3)c2c1	ZINC000026579163	561804211	/nfs/dbraw/zinc/80/42/11/561804211.db2.gz	FOALBBRKACTORB-PWWKTKHKSA-N	-1	3	573.691	2.794	1	30		KFEFHM
COc1ccc2c(CCNC(=O)[C@@H]3CCCCNC(=O)OCCC[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N3)c[nH]c2c1	ZINC000026579164	561804205	/nfs/dbraw/zinc/80/42/05/561804205.db2.gz	SXHNNNHHGZCZEA-VXNXHJTFSA-N	-1	3	573.691	2.794	1	30		KFEFHM
CCCCCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](COC(C)(C)C)C(=O)NC)Cc2ccc(cc2)OCCC[C@@H]1C(=O)N[O-]	ZINC000026579179	561804238	/nfs/dbraw/zinc/80/42/38/561804238.db2.gz	JRLZSJKSMGHMSE-WSOYEBOPSA-N	-1	3	576.735	2.641	1	30		KFEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCCc2c[nH]c3ccc(F)cc23)CCCCNC(=O)OCCC[C@@H]1C(=O)N[O-]	ZINC000026579780	561805256	/nfs/dbraw/zinc/80/52/56/561805256.db2.gz	AKDRXYMVQGBMAX-FJIJXJHWSA-N	-1	3	561.655	2.925	1	30		KFEFHM
CCCCCC[C@H]1C(=O)N[C@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)Cc2ccc(cc2)OCCC[C@@H]1C(=O)N[O-]	ZINC000026579872	561805187	/nfs/dbraw/zinc/80/51/87/561805187.db2.gz	SXBZTLRVZAYLRM-PVHODMMVSA-N	-1	3	602.754	2.601	1	30		KFEFHM
Cc1csc(NC(=O)[C@@H]2CCCCN(C)C(=O)OCCC[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N2)n1	ZINC000026637236	561805910	/nfs/dbraw/zinc/80/59/10/561805910.db2.gz	ISFWMMQVBDSTJV-KSZLIROESA-N	-1	3	511.645	2.691	1	30		KFEFHM
CCCCCC[C@H]1C(=O)N[C@H](C(=O)NCCCn2ccnc2)Cc2ccc(cc2)OCCC[C@@H]1C(=O)N[O-]	ZINC000026641319	561806627	/nfs/dbraw/zinc/80/66/27/561806627.db2.gz	HKJSWMNQUSNTTP-DSITVLBTSA-N	-1	3	527.666	2.998	1	30		KFEFHM
COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccccc3)C[C@@H]2C(=O)N[O-])cc1	ZINC000026643514	561807124	/nfs/dbraw/zinc/80/71/24/561807124.db2.gz	RWPUCYUUOPJZLU-XMMPIXPASA-N	-1	3	509.584	2.773	1	30		KFEFHM
COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccccc3)C[C@H]2C(=O)N[O-])cc1	ZINC000026643519	561807057	/nfs/dbraw/zinc/80/70/57/561807057.db2.gz	RWPUCYUUOPJZLU-DEOSSOPVSA-N	-1	3	509.584	2.773	1	30		KFEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)Nc2ccc(F)cc2F)Cc2ccc(cc2)OCCC[C@@H]1C(=O)N[O-]	ZINC000026646681	561807667	/nfs/dbraw/zinc/80/76/67/561807667.db2.gz	CZDLRFFDOLPTCL-IMSXRSKXSA-N	-1	3	560.598	2.704	1	30		KFEFHM
O=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)N1CCOCC1)N[O-]	ZINC000026653293	561808738	/nfs/dbraw/zinc/80/87/38/561808738.db2.gz	VQWLMWWSSYJPOW-NOZRDPDXSA-N	-1	3	579.138	2.995	1	30		KFEFHM
Cc1ccc(S(=O)(=O)N[C@@H](CS(=O)(=O)c2ccc(Sc3ccccc3)cc2)C(=O)N[O-])cc1	ZINC000026654426	561808974	/nfs/dbraw/zinc/80/89/74/561808974.db2.gz	XNEDUJHGWLQJFQ-NRFANRHFSA-N	-1	3	506.627	2.772	1	30		KFEFHM
Cc1ccc(S(=O)(=O)N[C@H](CS(=O)(=O)c2ccc(Sc3ccccc3)cc2)C(=O)N[O-])cc1	ZINC000026654431	561809041	/nfs/dbraw/zinc/80/90/41/561809041.db2.gz	XNEDUJHGWLQJFQ-OAQYLSRUSA-N	-1	3	506.627	2.772	1	30		KFEFHM
COc1cccc(OC)c1C(=O)N[C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N[O-]	ZINC000026656473	561809306	/nfs/dbraw/zinc/80/93/06/561809306.db2.gz	MLONDWWDPWNWGR-LJQANCHMSA-N	-1	3	500.529	2.574	1	30		KFEFHM
Cc1ccc(CCC[C@H](CC(=O)N[O-])C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCN2CCOCC2)cc1	ZINC000026657232	561809638	/nfs/dbraw/zinc/80/96/38/561809638.db2.gz	VGTPSCHBTJBJOQ-FTJBHMTQSA-N	-1	3	530.710	2.733	1	30		KFEFHM
COc1cc(Oc2ccc(S(=O)(=O)N3CCSC(C)(C)[C@@H]3C(=O)N[O-])cc2)cc(OC)c1OC	ZINC000026730444	561816609	/nfs/dbraw/zinc/81/66/09/561816609.db2.gz	DCDJWNFOPNVBIM-FQEVSTJZSA-N	-1	3	512.606	2.895	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)[C@@H](CCSCc2ccccc2)C(=O)N[O-])cc1	ZINC000026832573	561823344	/nfs/dbraw/zinc/82/33/44/561823344.db2.gz	MMOBDSFVSOBMOV-DEOSSOPVSA-N	-1	3	558.682	2.595	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)[C@H](CCSCc2ccccc2)C(=O)N[O-])cc1	ZINC000026832577	561823323	/nfs/dbraw/zinc/82/33/23/561823323.db2.gz	MMOBDSFVSOBMOV-XMMPIXPASA-N	-1	3	558.682	2.595	1	30		KFEFHM
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccc(OCc3ccccc3)cc2c1)[C@H](O)C(=O)N[O-]	ZINC000026936587	561827533	/nfs/dbraw/zinc/82/75/33/561827533.db2.gz	GNWXHESPUNJCNK-PKTNWEFCSA-N	-1	3	541.604	2.657	1	30		KFEFHM
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OCc4ccccc4C)cc3)[C@@H](C(=O)N[O-])[C@@H]2C)cc1	ZINC000026958258	561829303	/nfs/dbraw/zinc/82/93/03/561829303.db2.gz	UTQLDSRMYUQUPD-HFZDXXHNSA-N	-1	3	573.693	2.840	1	30		KFEFHM
COc1c([O-])cc2cc1Oc1ccc(cc1[N+](=O)[O-])[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)C(=O)N[C@H]2C(=O)OC(C)(C)C	ZINC000026970583	561830308	/nfs/dbraw/zinc/83/03/08/561830308.db2.gz	ODFWWIYDKXBJNW-RAKGIWIYSA-N	-1	3	657.633	2.549	1	30		KFEFHM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1ccc([N+](=O)[O-])cc1)C(=O)N[O-]	ZINC000026992777	561832796	/nfs/dbraw/zinc/83/27/96/561832796.db2.gz	QNRNMUGSFSXRKO-FSSWDIPSSA-N	-1	3	516.620	2.944	1	30		KFEFHM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1ccccc1C(=O)OC)C(=O)N[O-]	ZINC000026994625	561833008	/nfs/dbraw/zinc/83/30/08/561833008.db2.gz	WBTHKLMTSOWADI-FSSWDIPSSA-N	-1	3	529.659	2.823	1	30		KFEFHM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1ccc(C(=O)OC)cc1)C(=O)N[O-]	ZINC000026994631	561832903	/nfs/dbraw/zinc/83/29/03/561832903.db2.gz	ARYCNDSONFIACT-VJBWXMMDSA-N	-1	3	529.659	2.823	1	30		KFEFHM
CNC(=O)CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)N[O-])[C@@H](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C(=O)N1	ZINC000027075793	561834256	/nfs/dbraw/zinc/83/42/56/561834256.db2.gz	FQRGCXYNQQKTLK-ARNLJNQMSA-N	-1	3	649.667	2.690	1	30		KFEFHM
CO/N=C(\CSC[C@H](C(=O)N[O-])[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1	ZINC000027078962	561834587	/nfs/dbraw/zinc/83/45/87/561834587.db2.gz	IXVYIEAWYBKISS-NLYMVMGLSA-N	-1	3	562.692	2.964	1	30		KFEFHM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSCC(=O)c1ccccc1)C(=O)N[O-]	ZINC000027079021	561834665	/nfs/dbraw/zinc/83/46/65/561834665.db2.gz	BJKPLGBHQFGDAZ-VJBWXMMDSA-N	-1	3	513.660	2.860	1	30		KFEFHM
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)[C@H](CSCC(=O)c1ccccc1)C(=O)N[O-]	ZINC000027088900	561836944	/nfs/dbraw/zinc/83/69/44/561836944.db2.gz	RPUIRQNIWUFUEP-DSITVLBTSA-N	-1	3	533.650	2.796	1	30		KFEFHM
CCC[C@@H]([C@@H](CC1CCC(C)CC1)C(=O)N[C@@H](CCCNC(N)=NS(=O)(=O)c1ccccn1)C(=O)Nc1nccs1)N([O-])C=O	ZINC000027426662	561858484	/nfs/dbraw/zinc/85/84/84/561858484.db2.gz	QXSADLFWPARWTP-QSBPQZLJSA-N	-1	3	664.855	2.884	1	30		KFEFHM
CC(C)[C@@H]([C@@H](CC1CCC(C)CC1)C(=O)N[C@@H](CCCNC(N)=NS(=O)(=O)c1ccccn1)C(=O)Nc1nccs1)N([O-])C=O	ZINC000027428442	561858944	/nfs/dbraw/zinc/85/89/44/561858944.db2.gz	UBBKFTZMBAKVDC-OSBIAPMOSA-N	-1	3	664.855	2.740	1	30		KFEFHM
Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(S(=O)(=O)c4cn(C)cn4)C[C@@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000027433100	561859600	/nfs/dbraw/zinc/85/96/00/561859600.db2.gz	BPBXDIWULCWTST-ZEQRLZLVSA-N	-1	3	578.651	2.627	1	30		KFEFHM
COc1ccc(S(=O)(=O)N2Cc3cc(NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)Cc4ccccc4)ccc3C[C@@H]2C(=O)N[O-])cc1	ZINC000027520301	561863528	/nfs/dbraw/zinc/86/35/28/561863528.db2.gz	UKBWLBZDMUKXSY-WUFINQPMSA-N	-1	3	666.753	2.714	1	30		KFEFHM
COc1ccc(S(=O)(=O)N2Cc3cc(NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)Cc4ccccc4)ccc3C[C@H]2C(=O)N[O-])cc1	ZINC000027520303	561863509	/nfs/dbraw/zinc/86/35/09/561863509.db2.gz	UKBWLBZDMUKXSY-NSOVKSMOSA-N	-1	3	666.753	2.714	1	30		KFEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CCCCOCc1ccccc1)[C@H](OCc1ccc2c(cnc(=O)n2C)c1)C(=O)N[O-])C(C)(C)C	ZINC000027554208	561868971	/nfs/dbraw/zinc/86/89/71/561868971.db2.gz	VOXBFNGVFFRNIE-FXVJXKIMSA-N	-1	3	609.724	2.604	1	30		KFEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCCc1ccc2sc(C)nc2c1)C(=O)N[O-])C(C)(C)C	ZINC000027555690	561869450	/nfs/dbraw/zinc/86/94/50/561869450.db2.gz	DYPGYXPORHVYHH-JRGCBEDISA-N	-1	3	506.669	2.977	1	30		KFEFHM
CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCOCCN1CCN(CCOCc2ccc([O-])c(C(N)=O)c2)CC1	ZINC000027563580	561871444	/nfs/dbraw/zinc/87/14/44/561871444.db2.gz	CHYDIIJOGHRMPC-UHFFFAOYSA-N	-1	3	646.667	2.780	1	30		KFEFHM
C[C@H](NC(=O)[C@H](Cc1ccc(NC(=O)OCc2ccccc2)cc1)NC(=O)C(=O)N[O-])c1ccccc1	ZINC000028006768	561895635	/nfs/dbraw/zinc/89/56/35/561895635.db2.gz	DBMDIXBZZAINQH-MBSDFSHPSA-N	-1	3	504.543	2.845	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCCNC(=O)OC(C)(C)C)C(=O)N[O-])cc1	ZINC000028234294	561909512	/nfs/dbraw/zinc/90/95/12/561909512.db2.gz	ZMIIYYHEXJXOFJ-HXUWFJFHSA-N	-1	3	551.618	2.794	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](Cc2cncn2Cc2ccccc2)C(=O)N[O-])cc1	ZINC000028235045	561909581	/nfs/dbraw/zinc/90/95/81/561909581.db2.gz	BZYXZGKXFWVKHJ-RUZDIDTESA-N	-1	3	564.620	2.976	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N[O-])cc1	ZINC000028236012	561909637	/nfs/dbraw/zinc/90/96/37/561909637.db2.gz	FXGZVAIJFYNQLJ-OAQYLSRUSA-N	-1	3	529.527	2.640	1	30		KFEFHM
CNC(=O)[C@@H]1CCCCN(S(=O)(=O)c2c(C)cc(C)cc2C)CCC[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N1	ZINC000028265255	561912567	/nfs/dbraw/zinc/91/25/67/561912567.db2.gz	KOLIYILUYWKKNC-ZRBLBEILSA-N	-1	3	552.738	2.581	1	30		KFEFHM
CC#CCOc1ccc(S(=O)(=O)N2Cc3cc(NCCc4ccccn4)ccc3N(C(C)=O)C[C@@H]2C(=O)N[O-])cc1	ZINC000028370509	561918295	/nfs/dbraw/zinc/91/82/95/561918295.db2.gz	MJYIMHGWKZRGTK-MUUNZHRXSA-N	-1	3	577.663	2.570	1	30		KFEFHM
CC#CCOc1ccc(S(=O)(=O)N2Cc3cc(NCCc4ccccn4)ccc3N(C(C)=O)C[C@H]2C(=O)N[O-])cc1	ZINC000028370516	561918279	/nfs/dbraw/zinc/91/82/79/561918279.db2.gz	MJYIMHGWKZRGTK-NDEPHWFRSA-N	-1	3	577.663	2.570	1	30		KFEFHM
CC#CCOc1ccc(S(=O)(=O)N2Cc3cc(N(C)CCc4ccccn4)ccc3N(C(C)=O)C[C@@H]2C(=O)N[O-])cc1	ZINC000028376779	561919331	/nfs/dbraw/zinc/91/93/31/561919331.db2.gz	GYDCBTACTORGNU-GDLZYMKVSA-N	-1	3	591.690	2.594	1	30		KFEFHM
CC1(C)C[C@@H](O)CN(S(=O)(=O)c2ccc(OCc3ccccc3Br)cc2)[C@H]1C(=O)N[O-]	ZINC000028474167	561927510	/nfs/dbraw/zinc/92/75/10/561927510.db2.gz	MRBPTYYVXXZQBB-BEFAXECRSA-N	-1	3	513.410	2.684	1	30		KFEFHM
CC1(C)C[C@@H](O)CN(S(=O)(=O)c2ccc(OCc3ccc(Br)cc3)cc2)[C@H]1C(=O)N[O-]	ZINC000028474413	561927651	/nfs/dbraw/zinc/92/76/51/561927651.db2.gz	UWPHCZNYIWQCKD-APWZRJJASA-N	-1	3	513.410	2.684	1	30		KFEFHM
CC1(C)C[C@@H](O)CN(S(=O)(=O)c2ccc(OCc3cccc(Br)c3)cc2)[C@H]1C(=O)N[O-]	ZINC000028475431	561927921	/nfs/dbraw/zinc/92/79/21/561927921.db2.gz	YHIUMXFFZGJNGE-APWZRJJASA-N	-1	3	513.410	2.684	1	30		KFEFHM
CC(C)(C)OC(=O)NCCCC#CCOc1ccc(S(=O)(=O)N2CCSC(C)(C)[C@@H]2C(=O)N[O-])cc1	ZINC000028571938	561939596	/nfs/dbraw/zinc/93/95/96/561939596.db2.gz	TZYCKWCFYXFTIR-FQEVSTJZSA-N	-1	3	541.692	2.764	1	30		KFEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1	ZINC000028816898	561964469	/nfs/dbraw/zinc/96/44/69/561964469.db2.gz	JOILTJHUYYDODY-UHFFFAOYSA-N	-1	3	547.076	2.554	1	30		KFEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)c3c(Cl)cncc3Cl)CC2)cc1	ZINC000028816914	561964447	/nfs/dbraw/zinc/96/44/47/561964447.db2.gz	IDHBZDJZPPEMGC-UHFFFAOYSA-N	-1	3	540.425	2.992	1	30		KFEFHM
CCCCS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)N[O-])C1	ZINC000028821955	561966611	/nfs/dbraw/zinc/96/66/11/561966611.db2.gz	XDSDBWPXGOPPFL-UKILVPOCSA-N	-1	3	524.643	2.800	1	30		KFEFHM
CC(C)(C)c1csc(NC(=O)c2ccn3c(c2)nc(N2CCC[C@@H](OC(=O)NCCC[N+](C)(C)CC(=O)[O-])C2)c(C=Cc2nn[n-]n2)c3=O)n1	ZINC000028874175	561975041	/nfs/dbraw/zinc/97/50/41/561975041.db2.gz	KVWCRMBKPRZHPO-OAQYLSRUSA-O	-1	3	708.826	2.630	1	30		KFEFHM
CC(C)(C)c1csc(NC(=O)c2ccn3c(c2)nc(N2CCC[C@@H](OC(=O)NCCC[N+](C)(C)CC(=O)[O-])C2)c(C=Cc2nnn[n-]2)c3=O)n1	ZINC000028874175	561975039	/nfs/dbraw/zinc/97/50/39/561975039.db2.gz	KVWCRMBKPRZHPO-OAQYLSRUSA-O	-1	3	708.826	2.630	1	30		KFEFHM
CCOC(=O)/C=C/C[C@]1(C)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000028882632	561977212	/nfs/dbraw/zinc/97/72/12/561977212.db2.gz	CVTAHIZDPSAEHY-CZNRWDAFSA-N	-1	3	559.622	2.890	1	30		KFEFHM
CCOC(=O)/C=C/C[C@@]1(C)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000028882638	561977267	/nfs/dbraw/zinc/97/72/67/561977267.db2.gz	CVTAHIZDPSAEHY-HJKZNEBBSA-N	-1	3	559.622	2.890	1	30		KFEFHM
CC(C)(O)CC[C@]1(C)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000028882699	561977306	/nfs/dbraw/zinc/97/73/06/561977306.db2.gz	WHALZZAUNQMQGF-XMMPIXPASA-N	-1	3	533.628	2.932	1	30		KFEFHM
CC(C)(O)CC[C@]1(C)c2ccccc2C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O	ZINC000028882699	561977304	/nfs/dbraw/zinc/97/73/04/561977304.db2.gz	WHALZZAUNQMQGF-XMMPIXPASA-N	-1	3	533.628	2.932	1	30		KFEFHM
CC(C)(O)CC[C@@]1(C)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000028882704	561977343	/nfs/dbraw/zinc/97/73/43/561977343.db2.gz	WHALZZAUNQMQGF-DEOSSOPVSA-N	-1	3	533.628	2.932	1	30		KFEFHM
CC(C)(O)CC[C@@]1(C)c2ccccc2C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O	ZINC000028882704	561977341	/nfs/dbraw/zinc/97/73/41/561977341.db2.gz	WHALZZAUNQMQGF-DEOSSOPVSA-N	-1	3	533.628	2.932	1	30		KFEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@@]2(C(=O)N[O-])CCCN(C(=O)c3ccc(COCC)cc3)C2)cc1	ZINC000028951505	561981622	/nfs/dbraw/zinc/98/16/22/561981622.db2.gz	OAXXNDPRBWJXOJ-HHHXNRCGSA-N	-1	3	528.627	2.827	1	30		KFEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@]2(C(=O)N[O-])CCCN(C(=O)c3ccc(COCC)cc3)C2)cc1	ZINC000028951508	561981626	/nfs/dbraw/zinc/98/16/26/561981626.db2.gz	OAXXNDPRBWJXOJ-MHZLTWQESA-N	-1	3	528.627	2.827	1	30		KFEFHM
CCCCOc1ccc(S(=O)(=O)C2(C(=O)N[O-])CCN(Cc3ccc(OCCN4CCOCC4)cc3)CC2)cc1	ZINC000028970026	561985697	/nfs/dbraw/zinc/98/56/97/561985697.db2.gz	UUCAXRPZQYPLCB-UHFFFAOYSA-N	-1	3	575.728	2.890	1	30		KFEFHM
O=C(O[C@H]1CCOC1)N1CCC(CS(=O)(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)(C(=O)N[O-])CC1	ZINC000029039874	561990282	/nfs/dbraw/zinc/99/02/82/561990282.db2.gz	XDUWIWKZACXXFQ-SFHVURJKSA-N	-1	3	563.595	2.728	1	30		KFEFHM
Cc1ccccc1C1CCN(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)O[C@@H]3COCC3(C)C)CC2)CC1	ZINC000029040051	561990427	/nfs/dbraw/zinc/99/04/27/561990427.db2.gz	VVHOXHYIVMZQIO-JOCHJYFZSA-N	-1	3	537.679	2.653	1	30		KFEFHM
Cc1ccccc1C1CCN(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)O[C@H]3COCC3(C)C)CC2)CC1	ZINC000029040053	561990434	/nfs/dbraw/zinc/99/04/34/561990434.db2.gz	VVHOXHYIVMZQIO-QFIPXVFZSA-N	-1	3	537.679	2.653	1	30		KFEFHM
CNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)CCCCO[C@H](C(=O)N[O-])[C@@H](CCCc2ccccc2)C(=O)N1	ZINC000029229742	562009097	/nfs/dbraw/zinc/00/90/97/562009097.db2.gz	PYHVMKLBOIYJOG-VJBWXMMDSA-N	-1	3	548.681	2.558	1	30		KFEFHM
CCOc1cc(COc2ccc3c(c2)NCCN([C@H](CCCC(=O)OC)C(=O)N[O-])S3(=O)=O)cc(OCC)c1	ZINC000029486119	562028351	/nfs/dbraw/zinc/02/83/51/562028351.db2.gz	CZUPUFGAPNROGT-HSZRJFAPSA-N	-1	3	565.645	2.697	1	30		KFEFHM
Cc1cc(COc2ccc(C(=O)NC3(CC(=O)N[O-])CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2n1	ZINC000034315449	562038736	/nfs/dbraw/zinc/03/87/36/562038736.db2.gz	DJBJEUJDVZJUDS-UHFFFAOYSA-N	-1	3	526.615	2.542	1	30		KFEFHM
CC#CCOc1ccc(S(=O)(=O)N2Cc3cc(N(C)CCc4ccccn4)ccc3N(C(C)=O)C[C@H]2C(=O)N[O-])cc1	ZINC000034802363	562041703	/nfs/dbraw/zinc/04/17/03/562041703.db2.gz	GYDCBTACTORGNU-LJAQVGFWSA-N	-1	3	591.690	2.594	1	30		KFEFHM
Cc1cc(COc2ccc(C(=O)NC3(CC(=O)N[O-])CCN(CCS(C)(=O)=O)CC3)cc2)c2ccccc2n1	ZINC000036351979	562059472	/nfs/dbraw/zinc/05/94/72/562059472.db2.gz	MJYOLQLJRBLLML-UHFFFAOYSA-N	-1	3	554.669	2.627	1	30		KFEFHM
CC(C)CC[C@]1(N)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000036479680	562061028	/nfs/dbraw/zinc/06/10/28/562061028.db2.gz	BUXJURYGZMPRKU-QHCPKHFHSA-N	-1	3	518.617	2.713	1	30		KFEFHM
CC(C)CC[C@@]1(O)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000036488416	562061022	/nfs/dbraw/zinc/06/10/22/562061022.db2.gz	XOHVPLMTZQHMGI-HSZRJFAPSA-N	-1	3	519.601	2.747	1	30		KFEFHM
CC(C)CC[C@@]1(O)c2ccccc2C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O	ZINC000036488416	562061020	/nfs/dbraw/zinc/06/10/20/562061020.db2.gz	XOHVPLMTZQHMGI-HSZRJFAPSA-N	-1	3	519.601	2.747	1	30		KFEFHM
CCNC(=O)N1CCC(C(=O)N[O-])(S(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1	ZINC000040430861	562076879	/nfs/dbraw/zinc/07/68/79/562076879.db2.gz	XQTUJUSPSCMEOC-UHFFFAOYSA-N	-1	3	526.615	2.965	1	30		KFEFHM
CC(C)CC[C@@]1(N)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000040949661	562085936	/nfs/dbraw/zinc/08/59/36/562085936.db2.gz	BUXJURYGZMPRKU-HSZRJFAPSA-N	-1	3	518.617	2.713	1	30		KFEFHM
O=C(N[O-])[C@H](CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1	ZINC000042802746	562087874	/nfs/dbraw/zinc/08/78/74/562087874.db2.gz	UNWSPZORFGSVQL-INIZCTEOSA-N	-1	3	563.498	2.635	1	30		KFEFHM
CCCCCCCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000043587209	562649957	/nfs/dbraw/zinc/64/99/57/562649957.db2.gz	AEEKVRMUNAQUGF-XWGVYQGASA-N	-1	3	529.682	2.888	1	30		KFEFHM
CCCCCCCCCC[C@@H](N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000043587211	562649987	/nfs/dbraw/zinc/64/99/87/562649987.db2.gz	AEEKVRMUNAQUGF-NHTMILBNSA-N	-1	3	529.682	2.888	1	30		KFEFHM
CCCCCCCCCC[C@H](NC(=O)[C@@H](N)CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000043587319	562650047	/nfs/dbraw/zinc/65/00/47/562650047.db2.gz	GZXFUPAPUZOJGI-XWGVYQGASA-N	-1	3	529.682	2.888	1	30		KFEFHM
CCCCCCCCCC[C@@H](NC(=O)[C@@H](N)CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000043587321	562650013	/nfs/dbraw/zinc/65/00/13/562650013.db2.gz	GZXFUPAPUZOJGI-QTJGBDASSA-N	-1	3	529.682	2.888	1	30		KFEFHM
O=C(COc1ccc2c(c1)CN(C(=O)OCc1ccccc1)[C@H](C(=O)NCCc1ccccc1)C2)N[O-]	ZINC000045387514	562662462	/nfs/dbraw/zinc/66/24/62/562662462.db2.gz	ADMHGYYUSPFHOT-VWLOTQADSA-N	-1	3	503.555	2.993	1	30		KFEFHM
O=C(N[O-])C1(S(=O)(=O)c2ccc(N3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2)CCOCC1	ZINC000049035309	562663548	/nfs/dbraw/zinc/66/35/48/562663548.db2.gz	UFKFLDDRYBWLPH-UHFFFAOYSA-N	-1	3	513.538	2.860	1	30		KFEFHM
COc1ccc(OC)c(C2CCN(c3ccc(S(=O)(=O)C4(C(=O)N[O-])CCOCC4)cc3)CC2)c1	ZINC000049035370	562663568	/nfs/dbraw/zinc/66/35/68/562663568.db2.gz	ATIAZZHHFGJINP-UHFFFAOYSA-N	-1	3	504.605	2.916	1	30		KFEFHM
COc1ccc2c(c1)c(/C=C1\Oc3cc([O-])cc(O)c3C1=O)c(C)n2CCCN1CCN(CCO)CC1	ZINC000049070681	562664117	/nfs/dbraw/zinc/66/41/17/562664117.db2.gz	RQCSBIVSTZKQFC-ONUIUJJFSA-N	-1	3	507.587	2.986	1	30		KFEFHM
COc1ccc2c(c1)c(/C=C1\Oc3cc([O-])cc(O)c3C1=O)c(C)n2CCN1CCN(CCCO)CC1	ZINC000049072609	562664231	/nfs/dbraw/zinc/66/42/31/562664231.db2.gz	OSMLKVXABIPDHD-ONUIUJJFSA-N	-1	3	507.587	2.986	1	30		KFEFHM
O=C(N[O-])C1(S(=O)(=O)c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)CCOCC1	ZINC000049089757	562664495	/nfs/dbraw/zinc/66/44/95/562664495.db2.gz	REXXRRWHIZEEBC-UHFFFAOYSA-N	-1	3	513.538	2.860	1	30		KFEFHM
COc1ccc(C2CCN(c3ccc(S(=O)(=O)C4(C(=O)N[O-])CCOCC4)cc3)CC2)c(OC)c1	ZINC000049109649	562664508	/nfs/dbraw/zinc/66/45/08/562664508.db2.gz	JOMDWNBZLUPPTA-UHFFFAOYSA-N	-1	3	504.605	2.916	1	30		KFEFHM
Cn1cc(/C=C2\Oc3cccc([O-])c3C2=O)c2c1nccc2N1CCC(C(=O)N2CCN(C)CC2)CC1	ZINC000049112117	562664558	/nfs/dbraw/zinc/66/45/58/562664558.db2.gz	OZSMHSFVPXRVBD-KQWNVCNZSA-N	-1	3	501.587	2.886	1	30		KFEFHM
CC(C)C[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCCC(=O)N[O-])C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1	ZINC000049678299	562668525	/nfs/dbraw/zinc/66/85/25/562668525.db2.gz	ADVAWAGNRHNMPQ-ABYARXGNSA-N	-1	3	646.789	2.798	1	30		KFEFHM
Cc1cc(C)c2c(=NN=C(C#N)C(=O)N3NC(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)[n-]nc-2[nH]1	ZINC000049745163	562673743	/nfs/dbraw/zinc/67/37/43/562673743.db2.gz	CSYDMWOPVULVRH-JWKWWWPRSA-N	-1	3	530.548	2.790	1	30		KFEFHM
Cc1cc(C)c2c([N-]N=C(C#N)C(=O)N3NC(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)n[nH]c2n1	ZINC000049745163	562673742	/nfs/dbraw/zinc/67/37/42/562673742.db2.gz	CSYDMWOPVULVRH-JWKWWWPRSA-N	-1	3	530.548	2.790	1	30		KFEFHM
Cc1cc(C)c2c(=NN=C(C#N)C(=O)N3NC(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)[n-]nc-2[nH]1	ZINC000049745164	562673691	/nfs/dbraw/zinc/67/36/91/562673691.db2.gz	CSYDMWOPVULVRH-ZIFKJBTHSA-N	-1	3	530.548	2.790	1	30		KFEFHM
Cc1cc(C)c2c([N-]N=C(C#N)C(=O)N3NC(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)n[nH]c2n1	ZINC000049745164	562673690	/nfs/dbraw/zinc/67/36/90/562673690.db2.gz	CSYDMWOPVULVRH-ZIFKJBTHSA-N	-1	3	530.548	2.790	1	30		KFEFHM
Cc1cc(C)c2c(=NN=C(C#N)C(=O)N3NC(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)[n-]nc-2[nH]1	ZINC000049745166	562673678	/nfs/dbraw/zinc/67/36/78/562673678.db2.gz	CSYDMWOPVULVRH-GPVFHKHPSA-N	-1	3	530.548	2.790	1	30		KFEFHM
Cc1cc(C)c2c([N-]N=C(C#N)C(=O)N3NC(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)n[nH]c2n1	ZINC000049745166	562673677	/nfs/dbraw/zinc/67/36/77/562673677.db2.gz	CSYDMWOPVULVRH-GPVFHKHPSA-N	-1	3	530.548	2.790	1	30		KFEFHM
Cc1cc(C)c2c(=NN=C(C#N)C(=O)N3NC(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)[n-]nc-2[nH]1	ZINC000049745168	562673716	/nfs/dbraw/zinc/67/37/16/562673716.db2.gz	CSYDMWOPVULVRH-MCCASOKZSA-N	-1	3	530.548	2.790	1	30		KFEFHM
Cc1cc(C)c2c([N-]N=C(C#N)C(=O)N3NC(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)n[nH]c2n1	ZINC000049745168	562673715	/nfs/dbraw/zinc/67/37/15/562673715.db2.gz	CSYDMWOPVULVRH-MCCASOKZSA-N	-1	3	530.548	2.790	1	30		KFEFHM
COCCN1CCC(C(=O)N[O-])(S(=O)(=O)c2ccc(N3CCC(C(=O)N4CCN(c5cccc(C)c5C)CC4)CC3)cc2)CC1	ZINC000049775720	562679225	/nfs/dbraw/zinc/67/92/25/562679225.db2.gz	TWUHFGMOEBVGGW-UHFFFAOYSA-N	-1	3	641.835	2.629	1	30		KFEFHM
Cc1cccc(N2CCN(C(=O)C3CCN(c4ccc(S(=O)(=O)C5(C(=O)N[O-])CCOCC5)cc4)CC3)CC2)c1C	ZINC000049775784	562679237	/nfs/dbraw/zinc/67/92/37/562679237.db2.gz	QOWJHUFMPPFELP-UHFFFAOYSA-N	-1	3	584.739	2.697	1	30		KFEFHM
Cc1ccc(N2CCN(C(=O)C3CCN(c4ccc(S(=O)(=O)C5(C(=O)N[O-])CCOCC5)cc4)CC3)CC2)c(C)c1	ZINC000049777039	562679566	/nfs/dbraw/zinc/67/95/66/562679566.db2.gz	FPRHOXXDKHGHSY-UHFFFAOYSA-N	-1	3	584.739	2.697	1	30		KFEFHM
CCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000049780408	562681724	/nfs/dbraw/zinc/68/17/24/562681724.db2.gz	HSVXOBPWZDLGOD-KCHLEUMXSA-N	-1	3	623.755	2.936	1	30		KFEFHM
CCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000049780408	562681723	/nfs/dbraw/zinc/68/17/23/562681723.db2.gz	HSVXOBPWZDLGOD-KCHLEUMXSA-N	-1	3	623.755	2.936	1	30		KFEFHM
CN(Cc1ccccc1)C(=O)C1CCN(c2ccc(S(=O)(=O)C3(C(=O)N[O-])CCN(C4CC4)CC3)cc2)CC1	ZINC000049785561	562684068	/nfs/dbraw/zinc/68/40/68/562684068.db2.gz	YOEUGEBWOYBNPP-UHFFFAOYSA-N	-1	3	554.713	2.838	1	30		KFEFHM
CC1=C(CCCCCC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2Sc2ccccc2)C(=O)c2c([O-])cccc2C1=O	ZINC000049803210	562686096	/nfs/dbraw/zinc/68/60/96/562686096.db2.gz	RZUKWCGTIQBYBZ-WQCIBWCFSA-N	-1	3	555.649	2.754	1	30		KFEFHM
CCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000049841594	562688525	/nfs/dbraw/zinc/68/85/25/562688525.db2.gz	ZKBCCTNZEGYKJE-KCHLEUMXSA-N	-1	3	623.755	2.936	1	30		KFEFHM
CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000049841594	562688524	/nfs/dbraw/zinc/68/85/24/562688524.db2.gz	ZKBCCTNZEGYKJE-KCHLEUMXSA-N	-1	3	623.755	2.936	1	30		KFEFHM
CON[C@@]1(CCC(C)C)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000049878105	562690435	/nfs/dbraw/zinc/69/04/35/562690435.db2.gz	BRZVIQAIGRPDDZ-DEOSSOPVSA-N	-1	3	548.643	2.905	1	30		KFEFHM
CON[C@@]1(CCC(C)C)c2ccccc2C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O	ZINC000049878105	562690434	/nfs/dbraw/zinc/69/04/34/562690434.db2.gz	BRZVIQAIGRPDDZ-DEOSSOPVSA-N	-1	3	548.643	2.905	1	30		KFEFHM
CON[C@]1(CCC(C)C)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000049878151	562690465	/nfs/dbraw/zinc/69/04/65/562690465.db2.gz	BRZVIQAIGRPDDZ-XMMPIXPASA-N	-1	3	548.643	2.905	1	30		KFEFHM
CON[C@]1(CCC(C)C)c2ccccc2C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O	ZINC000049878151	562690464	/nfs/dbraw/zinc/69/04/64/562690464.db2.gz	BRZVIQAIGRPDDZ-XMMPIXPASA-N	-1	3	548.643	2.905	1	30		KFEFHM
Cc1cc(COc2ccc(S(=O)(=O)C3(C(=O)N[O-])CCN(S(=O)(=O)C(C)C)CC3)cc2)c2ccccc2n1	ZINC000049881808	562691131	/nfs/dbraw/zinc/69/11/31/562691131.db2.gz	JRSOKCXTAIQJPK-UHFFFAOYSA-N	-1	3	561.682	2.974	1	30		KFEFHM
O=C(N[O-])[C@H](CCCCNS(=O)(=O)c1ccc(Br)cc1)NS(=O)(=O)c1ccc(Br)cc1	ZINC000049881824	562691147	/nfs/dbraw/zinc/69/11/47/562691147.db2.gz	WGWWAORTMDCLGL-KRWDZBQOSA-N	-1	3	599.323	2.513	1	30		KFEFHM
C#CCOc1ccc(S(=O)(=O)C2(C(=O)N[O-])CCN(Cc3ccc(Br)cc3)CC2)cc1	ZINC000052971693	562696048	/nfs/dbraw/zinc/69/60/48/562696048.db2.gz	SEFCVQRMTNTWJO-UHFFFAOYSA-N	-1	3	507.406	2.775	1	30		KFEFHM
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C)O[C@@H]1O[C@H](CC=C(C)C)C1=CC(=O)c2c([O-])ccc(O)c2C1=O	ZINC000053243188	562696784	/nfs/dbraw/zinc/69/67/84/562696784.db2.gz	QOLAWSADLFMQOQ-ZZOQAOGRSA-N	-1	3	560.552	2.685	1	30		KFEFHM
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C)O[C@@H]1O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc([O-])c2C1=O	ZINC000053243188	562696783	/nfs/dbraw/zinc/69/67/83/562696783.db2.gz	QOLAWSADLFMQOQ-ZZOQAOGRSA-N	-1	3	560.552	2.685	1	30		KFEFHM
CN1CCCC/C=C\[C@@H]2C[C@@]2(C(=O)[N-]S(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3nc(N4CCOCC4)nc4ccccc43)C[C@H]2C1=O	ZINC000058547591	562699066	/nfs/dbraw/zinc/69/90/66/562699066.db2.gz	OLEKRWHWUHGKAM-XNISYSFKSA-N	-1	3	666.801	2.762	1	30		KFEFHM
CN1CCN(c2nc3ccccc3c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)n2)CC1	ZINC000058547609	562699078	/nfs/dbraw/zinc/69/90/78/562699078.db2.gz	MYJYOQKTCRMEJP-DNYHXQRFSA-N	-1	3	679.844	2.677	1	30		KFEFHM
CC[C@@H]1/C=C\[C@H](O)[C@H](C)OC(=O)/C(C)=C\[C@@H]2C(=O)NC3=CC(=O)c4c(cc(C)c([O-])c4C(=O)CC1)[C@@]32O	ZINC000059353084	562701982	/nfs/dbraw/zinc/70/19/82/562701982.db2.gz	NAKWTVLAAKACFD-PPVFRJBLSA-N	-1	3	509.555	2.512	1	30		KFEFHM
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN([O-])C=O)C(=O)N1CCC(NC(=O)c2ccc(C#N)cc2)CC1	ZINC000059926191	562702468	/nfs/dbraw/zinc/70/24/68/562702468.db2.gz	GDBSWEYENPPDPB-ILBGXUMGSA-N	-1	3	539.677	2.854	1	30		KFEFHM
COc1ccc(CCNC(=O)[C@H](CCCCCC(=O)N[O-])NC(=O)c2ccc(N(C)C)cc2)cc1OC	ZINC000064559224	562708341	/nfs/dbraw/zinc/70/83/41/562708341.db2.gz	UBBZWNCRHIIFNF-QFIPXVFZSA-N	-1	3	514.623	2.683	1	30		KFEFHM
Cc1cc([O-])c2c(c1)[C@@H]1OC(=O)[C@H](Cc3ccc(O)cc3)N1C1=C2C(=O)c2cccc(O[C@H]3C[C@@H](O)[C@@H](O)[C@H](C)O3)c2C1=O	ZINC000066258990	562715169	/nfs/dbraw/zinc/71/51/69/562715169.db2.gz	PTGYZCIQSJITEM-YLYXEPCBSA-N	-1	3	599.592	2.914	1	30		KFEFHM
CSCC[C@@H]1C(=O)O[C@H]2c3cc(C)cc([O-])c3C3=C(C(=O)c4c(O[C@H]5C[C@@H](O)[C@@H](O)[C@H](C)O5)cccc4C3=O)N12	ZINC000066258991	562715179	/nfs/dbraw/zinc/71/51/79/562715179.db2.gz	ZYPAWMLEMHTFDH-GULBQKAISA-N	-1	3	567.616	2.719	1	30		KFEFHM
Cc1ccc(C(=O)Nc2ccc(CN3CCN(CC(=O)[O-])CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc(C(N)=O)n1C	ZINC000071295826	562717344	/nfs/dbraw/zinc/71/73/44/562717344.db2.gz	POEOLGFWKCXXLD-UHFFFAOYSA-N	-1	3	582.583	2.701	1	30		KFEFHM
CN(C)c1ccc(C(=O)C2CCN(c3ccc(S(=O)(=O)C4(C(=O)N[O-])CCOCC4)cc3)CC2)cc1	ZINC000071341243	562719933	/nfs/dbraw/zinc/71/99/33/562719933.db2.gz	RCSWIFOOANTXTQ-UHFFFAOYSA-N	-1	3	515.632	2.680	1	30		KFEFHM
CN(C)c1ccc(NC(=O)CCCCOc2ccc(S(=O)(=O)C3(C(=O)N[O-])CCOCC3)cc2)cc1	ZINC000071341277	562719922	/nfs/dbraw/zinc/71/99/22/562719922.db2.gz	WNBNYVCTXXPOJB-UHFFFAOYSA-N	-1	3	519.620	2.769	1	30		KFEFHM
O=C(N[O-])C1(S(=O)(=O)c2ccc(OCCCn3nnc(-c4ccc(OC(F)(F)F)cc4)n3)cc2)CCOCC1	ZINC000071341721	562720028	/nfs/dbraw/zinc/72/00/28/562720028.db2.gz	BNPWNBBKUMLEJM-UHFFFAOYSA-N	-1	3	571.534	2.536	1	30		KFEFHM
O=C(NCCCOc1ccc(S(=O)(=O)C2(C(=O)N[O-])CCOCC2)cc1)c1ccc(OC(F)(F)F)cc1	ZINC000071418555	562720241	/nfs/dbraw/zinc/72/02/41/562720241.db2.gz	JNMYIRAUFFFDQS-UHFFFAOYSA-N	-1	3	546.520	2.612	1	30		KFEFHM
O=C(N[O-])C1(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCN(CCN2CCOCC2)CC1	ZINC000072109866	562721656	/nfs/dbraw/zinc/72/16/56/562721656.db2.gz	VMWGPLRCSWOQJR-UHFFFAOYSA-N	-1	3	557.591	2.944	1	30		KFEFHM
CC(C)(C)OC(=O)N1CCC(C(=O)N2CC3(C[C@H]2C(=O)NCCCCCC(=O)N[O-])SCCS3)CC1	ZINC000072123559	562724716	/nfs/dbraw/zinc/72/47/16/562724716.db2.gz	RQWCXMXKNPSRPO-SFHVURJKSA-N	-1	3	544.740	2.593	1	30		KFEFHM
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(C[C@H]1C(=O)NCCCCCC(=O)N[O-])SCCS2	ZINC000072126930	562725528	/nfs/dbraw/zinc/72/55/28/562725528.db2.gz	MONIZEHEBXCGGM-ROUUACIJSA-N	-1	3	546.756	2.885	1	30		KFEFHM
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC2(C[C@H]1C(=O)NCCCCCC(=O)N[O-])SCCS2	ZINC000072127781	562725950	/nfs/dbraw/zinc/72/59/50/562725950.db2.gz	UZYBKZRRUTXHEZ-SFTDATJTSA-N	-1	3	596.772	2.787	1	30		KFEFHM
CCCCCCC[C@H](CC(=O)N[C@H]1CCCCN([O-])C1=O)OC(=O)[C@H](CCCCN(O)C=O)NC(=O)[C@H]1COC(c2ccccc2O)=N1	ZINC000072128646	562726176	/nfs/dbraw/zinc/72/61/76/562726176.db2.gz	ZMOZPTGOGBWLIA-GYUKIKGESA-N	-1	3	675.780	2.589	1	30		KFEFHM
CCCCCCC[C@@H](CC(=O)N[C@H]1CCCCN([O-])C1=O)OC(=O)[C@H](CCCCN(O)C=O)NC(=O)[C@H]1COC(c2ccccc2O)=N1	ZINC000072128655	562726182	/nfs/dbraw/zinc/72/61/82/562726182.db2.gz	ZMOZPTGOGBWLIA-PGXSJUQOSA-N	-1	3	675.780	2.589	1	30		KFEFHM
CCCCCCC[C@H](CC(=O)N[C@H]1CCCCN([O-])C1=O)OC(=O)[C@H](CCCCN(O)C=O)NC(=O)[C@@H]1COC(c2ccccc2O)=N1	ZINC000072129840	562726506	/nfs/dbraw/zinc/72/65/06/562726506.db2.gz	ZMOZPTGOGBWLIA-BDGPUAICSA-N	-1	3	675.780	2.589	1	30		KFEFHM
CCCCCCC[C@@H](CC(=O)N[C@H]1CCCCN([O-])C1=O)OC(=O)[C@H](CCCCN(O)C=O)NC(=O)[C@@H]1COC(c2ccccc2O)=N1	ZINC000072129923	562726590	/nfs/dbraw/zinc/72/65/90/562726590.db2.gz	ZMOZPTGOGBWLIA-MNUOIFNESA-N	-1	3	675.780	2.589	1	30		KFEFHM
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(C[C@H]1C(=O)NCCCCCC(=O)N[O-])SCCS2	ZINC000072141323	562729361	/nfs/dbraw/zinc/72/93/61/562729361.db2.gz	CIFQHIRXEHYSBH-LNLFQRSKSA-N	-1	3	546.756	2.885	1	30		KFEFHM
COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)N[O-])cc3CN2C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1	ZINC000072172206	562730667	/nfs/dbraw/zinc/73/06/67/562730667.db2.gz	IQWXWFUKSOCAON-ZEQRLZLVSA-N	-1	3	568.627	2.871	1	30		KFEFHM
O=C(COc1ccc2c(c1)CN(C(=O)CCc1ccccc1)[C@H](C(=O)NCCc1ccccc1)C2)N[O-]	ZINC000072172297	562730696	/nfs/dbraw/zinc/73/06/96/562730696.db2.gz	MTSUXDMDZHIFBC-SANMLTNESA-N	-1	3	501.583	2.816	1	30		KFEFHM
CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000073157038	562733877	/nfs/dbraw/zinc/73/38/77/562733877.db2.gz	ZGCMLUOCMJXQOL-FSSWDIPSSA-N	-1	3	520.733	2.994	1	30		KFEFHM
O=C1[C@H](N(CCN2CCOCC2)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC=CCN1[O-]	ZINC000073161569	562734143	/nfs/dbraw/zinc/73/41/43/562734143.db2.gz	XLEZHEBRRDABNS-LJQANCHMSA-N	-1	3	512.053	2.938	1	30		KFEFHM
CN1CCN(CCN([C@@H]2CC=CCN([O-])C2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1	ZINC000073166696	562734551	/nfs/dbraw/zinc/73/45/51/562734551.db2.gz	ZODGWBSBSVHUNW-XMMPIXPASA-N	-1	3	535.066	2.917	1	30		KFEFHM
CCCCCCCCCCCCCCCC(=O)O[C@H](CO)CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000073196566	562735152	/nfs/dbraw/zinc/73/51/52/562735152.db2.gz	BKWASELTCRREJK-FSSWDIPSSA-N	-1	3	520.733	2.994	1	30		KFEFHM
O=C1[C@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC=C(CN2CCOCC2)CN1[O-]	ZINC000073196649	562735179	/nfs/dbraw/zinc/73/51/79/562735179.db2.gz	XAOJSOMIBKILNZ-JOCHJYFZSA-N	-1	3	507.996	2.659	1	30		KFEFHM
CCC[C@@H]1C(=O)O[C@H]2c3cc(C)cc([O-])c3C3=C(C(=O)c4c(O[C@H]5C[C@@H](O)[C@@H](O)[C@H](C)O5)cccc4C3=O)N12	ZINC000073240694	562736896	/nfs/dbraw/zinc/73/68/96/562736896.db2.gz	UISVOFCCNUPNLI-GULBQKAISA-N	-1	3	535.549	2.766	1	30		KFEFHM
CCC[C@@H]1C(=O)O[C@@H]2c3cc(C)cc([O-])c3C3=C(C(=O)c4c(O[C@H]5C[C@@H](O)[C@@H](O)[C@H](C)O5)cccc4C3=O)N12	ZINC000073240696	562736894	/nfs/dbraw/zinc/73/68/94/562736894.db2.gz	UISVOFCCNUPNLI-WGFVHNBUSA-N	-1	3	535.549	2.766	1	30		KFEFHM
CCCCCCCC(=O)N[C@H]1C[C@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c([O-])c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O	ZINC000082181759	562741977	/nfs/dbraw/zinc/74/19/77/562741977.db2.gz	PDNTXIRYPLVDEG-HSNJQHLNSA-N	-1	3	669.724	2.519	1	30		KFEFHM
CCCCCCCC(=O)N[C@H]1C[C@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c([O-])c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O	ZINC000082181759	562741976	/nfs/dbraw/zinc/74/19/76/562741976.db2.gz	PDNTXIRYPLVDEG-HSNJQHLNSA-N	-1	3	669.724	2.519	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc(OCCOCCOCCOCCOCc3cn(CCF)nn3)cc2)[C@@H](C(=O)N[O-])C(C)C)cc1	ZINC000084758515	562752635	/nfs/dbraw/zinc/75/26/35/562752635.db2.gz	GDXZUNJRYLVZAT-WJOKGBTCSA-N	-1	3	711.810	2.623	1	30		KFEFHM
COc1cc2c3c([O-])c(c4c(c3c1)CC[C@H]1CCC[C@@H]41)C(=O)CN1Cc3c(cccc3CC#CO[C@H]3[C@H](O)[C@@H](CO)O[C@H](O2)[C@@H]3O)C1=O	ZINC000085592470	291765192	/nfs/dbraw/zinc/76/51/92/291765192.db2.gz	LYAYWCTYOZNTLA-DPSASUQQSA-N	-1	3	655.700	2.943	1	30	biogenic,in-vitro	KFEFHM
COc1cc2cc(C3CCCC3)c3c([O-])c2c(c1)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC#CCc2cccc4c2CN(CC3=O)C4=O)[C@H]1O	ZINC000085592472	291765176	/nfs/dbraw/zinc/76/51/76/291765176.db2.gz	USDVWPDWCDMVLQ-VEHPQGCYSA-N	-1	3	629.662	2.770	1	30	biogenic,in-vitro	KFEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(C[C@H](O)CC[C@@H]31)O[C@@H]2Cc1cccc(C(N)N)c1	ZINC000085594037	560064872	/nfs/dbraw/zinc/06/48/72/560064872.db2.gz	YFJUMJMRKDVHLH-APVPPGJYSA-N	-1	3	550.608	2.815	1	30	biogenic,in-vitro	KFEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(C[C@H](O)CC[C@@H]31)O[C@@H]2Cc1cccc(C(N)N)c1	ZINC000085594037	560064871	/nfs/dbraw/zinc/06/48/71/560064871.db2.gz	YFJUMJMRKDVHLH-APVPPGJYSA-N	-1	3	550.608	2.815	1	30	biogenic,in-vitro	KFEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(C)O[C@@H]1Cc1cccc2c1CCN[C@H]2N)C3	ZINC000085594093	560064627	/nfs/dbraw/zinc/06/46/27/560064627.db2.gz	AGCCQBFXXZCJJI-ODQFMULZSA-N	-1	3	520.582	2.936	1	30	biogenic,in-vitro	KFEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(C)O[C@@H]1Cc1cccc2c1CCN[C@H]2N)C3	ZINC000085594093	560064625	/nfs/dbraw/zinc/06/46/25/560064625.db2.gz	AGCCQBFXXZCJJI-ODQFMULZSA-N	-1	3	520.582	2.936	1	30	biogenic,in-vitro	KFEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@H](OC(=O)[C@]1(C)O[C@@H]1Cc1cccc2c1CCN[C@H]2N)C3	ZINC000085594095	560064523	/nfs/dbraw/zinc/06/45/23/560064523.db2.gz	AGCCQBFXXZCJJI-GHGYURFVSA-N	-1	3	520.582	2.936	1	30	biogenic,in-vitro	KFEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@]1(C)O[C@@H]1Cc1cccc2c1CCN[C@H]2N)C3	ZINC000085594095	560064522	/nfs/dbraw/zinc/06/45/22/560064522.db2.gz	AGCCQBFXXZCJJI-GHGYURFVSA-N	-1	3	520.582	2.936	1	30	biogenic,in-vitro	KFEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(CCCO)O[C@@H]1CCc1ccnc(N)c1)C3	ZINC000085594096	560064527	/nfs/dbraw/zinc/06/45/27/560064527.db2.gz	ZHYABUKILCFWSU-XJGOYTCSSA-N	-1	3	524.570	2.952	1	30	biogenic,in-vitro	KFEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(CCCO)O[C@@H]1CCc1ccnc(N)c1)C3	ZINC000085594096	560064526	/nfs/dbraw/zinc/06/45/26/560064526.db2.gz	ZHYABUKILCFWSU-XJGOYTCSSA-N	-1	3	524.570	2.952	1	30	biogenic,in-vitro	KFEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@H](OC(=O)[C@]1(CCCO)O[C@@H]1CCc1ccnc(N)c1)C3	ZINC000085594098	560064643	/nfs/dbraw/zinc/06/46/43/560064643.db2.gz	ZHYABUKILCFWSU-DQCZWYHMSA-N	-1	3	524.570	2.952	1	30	biogenic,in-vitro	KFEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@]1(CCCO)O[C@@H]1CCc1ccnc(N)c1)C3	ZINC000085594098	560064641	/nfs/dbraw/zinc/06/46/41/560064641.db2.gz	ZHYABUKILCFWSU-DQCZWYHMSA-N	-1	3	524.570	2.952	1	30	biogenic,in-vitro	KFEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(CCCO)O[C@@H]1Cc1cccc(C(N)N)c1)C3	ZINC000085594114	560064593	/nfs/dbraw/zinc/06/45/93/560064593.db2.gz	INNMZEPEMSJPKJ-SGQNLQFHSA-N	-1	3	538.597	2.501	1	30	biogenic,in-vitro	KFEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(CCCO)O[C@@H]1Cc1cccc(C(N)N)c1)C3	ZINC000085594114	560064591	/nfs/dbraw/zinc/06/45/91/560064591.db2.gz	INNMZEPEMSJPKJ-SGQNLQFHSA-N	-1	3	538.597	2.501	1	30	biogenic,in-vitro	KFEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@H](OC(=O)[C@]1(CCCO)O[C@@H]1Cc1cccc(C(N)N)c1)C3	ZINC000085594116	560064587	/nfs/dbraw/zinc/06/45/87/560064587.db2.gz	INNMZEPEMSJPKJ-VDWGHMIBSA-N	-1	3	538.597	2.501	1	30	biogenic,in-vitro	KFEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@]1(CCCO)O[C@@H]1Cc1cccc(C(N)N)c1)C3	ZINC000085594116	560064585	/nfs/dbraw/zinc/06/45/85/560064585.db2.gz	INNMZEPEMSJPKJ-VDWGHMIBSA-N	-1	3	538.597	2.501	1	30	biogenic,in-vitro	KFEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(CCCCO)O[C@@H]1Cc1cccc(C(N)N)c1)C3	ZINC000085594135	560064556	/nfs/dbraw/zinc/06/45/56/560064556.db2.gz	ZVWIIIXPLFBLRG-ZLRJYYBNSA-N	-1	3	552.624	2.891	1	30	biogenic,in-vitro	KFEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(CCCCO)O[C@@H]1Cc1cccc(C(N)N)c1)C3	ZINC000085594135	560064555	/nfs/dbraw/zinc/06/45/55/560064555.db2.gz	ZVWIIIXPLFBLRG-ZLRJYYBNSA-N	-1	3	552.624	2.891	1	30	biogenic,in-vitro	KFEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@H](OC(=O)[C@]1(CCCCO)O[C@@H]1Cc1cccc(C(N)N)c1)C3	ZINC000085594137	560064516	/nfs/dbraw/zinc/06/45/16/560064516.db2.gz	ZVWIIIXPLFBLRG-BOYVUMAVSA-N	-1	3	552.624	2.891	1	30	biogenic,in-vitro	KFEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@]1(CCCCO)O[C@@H]1Cc1cccc(C(N)N)c1)C3	ZINC000085594137	560064515	/nfs/dbraw/zinc/06/45/15/560064515.db2.gz	ZVWIIIXPLFBLRG-BOYVUMAVSA-N	-1	3	552.624	2.891	1	30	biogenic,in-vitro	KFEFHM
CC(=O)CCc1ccc(O[C@@H]2O[C@H](COC(=O)c3cc(O)c([O-])c(O)c3)[C@@H](O)[C@H](O)[C@H]2C(=O)C=Cc2ccccc2)cc1	ZINC000085645855	560067049	/nfs/dbraw/zinc/06/70/49/560067049.db2.gz	UGRDZGJZKVQPRB-QEXQZUHISA-N	-1	3	592.597	2.906	1	30	biogenic,in-vitro	KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc(OCCOCCOCCOCCOCc3cn(CCOCCOCCOCCF)nn3)cc2)[C@@H](C(=O)N[O-])C(C)C)cc1	ZINC000095564397	562764319	/nfs/dbraw/zinc/76/43/19/562764319.db2.gz	GKLOCXVNLLEZMX-DIPNUNPCSA-N	-1	3	843.969	2.672	1	30		KFEFHM
C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc([C@@]([O-])(C(N)=O)C(F)(F)F)cc1	ZINC000095582477	562772571	/nfs/dbraw/zinc/77/25/71/562772571.db2.gz	XTHPPYUOTCUZNL-CWTRNNRKSA-N	-1	3	543.461	2.979	1	30		KFEFHM
C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1cccc([C@@]([O-])(C(N)=O)C(F)(F)F)c1	ZINC000095582654	562772654	/nfs/dbraw/zinc/77/26/54/562772654.db2.gz	LDNXCAVPYKBBSI-CWTRNNRKSA-N	-1	3	543.461	2.979	1	30		KFEFHM
C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc([C@]([O-])(C(N)=O)C(F)(F)F)cc1	ZINC000095584201	562773143	/nfs/dbraw/zinc/77/31/43/562773143.db2.gz	XTHPPYUOTCUZNL-BLVKFPJESA-N	-1	3	543.461	2.979	1	30		KFEFHM
C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1cccc([C@]([O-])(C(N)=O)C(F)(F)F)c1	ZINC000095585515	562773621	/nfs/dbraw/zinc/77/36/21/562773621.db2.gz	LDNXCAVPYKBBSI-BLVKFPJESA-N	-1	3	543.461	2.979	1	30		KFEFHM
CC(=O)OC[C@H]1O[C@@H](Sc2nnc(-c3ccccc3)n2/N=C/c2ccccc2[O-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000095605054	562781336	/nfs/dbraw/zinc/78/13/36/562781336.db2.gz	XRFWIUGICUUJTF-MPHLVIKTSA-N	-1	3	626.644	2.708	1	30		KFEFHM
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCCCC(=O)N[O-])CC2	ZINC000096270609	562793245	/nfs/dbraw/zinc/79/32/45/562793245.db2.gz	BABGDAWTRPMGMJ-SFHVURJKSA-N	-1	3	500.548	2.918	1	30		KFEFHM
CN(CC(=O)N[O-])S(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1	ZINC000096284914	562795398	/nfs/dbraw/zinc/79/53/98/562795398.db2.gz	JFSQCRNERBWFRT-UHFFFAOYSA-N	-1	3	508.188	2.917	1	30		KFEFHM
CNC(=O)C1CCN([C@@H](CN(c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)S(C)(=O)=O)C(=O)N[O-])CC1	ZINC000096319038	562796588	/nfs/dbraw/zinc/79/65/88/562796588.db2.gz	NXDUTDHMFGWNPY-NRFANRHFSA-N	-1	3	558.579	2.596	1	30		KFEFHM
CS(=O)(=O)N(C[C@@H](C(=O)N[O-])N1CCC(O)CC1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1	ZINC000096319040	562796630	/nfs/dbraw/zinc/79/66/30/562796630.db2.gz	BHIHZVBFDJREPF-FQEVSTJZSA-N	-1	3	517.526	2.594	1	30		KFEFHM
N/C(=N\[O-])c1cccc(COc2c(I)cc(/C(N)=N/O)cc2I)c1	ZINC000096910493	562799991	/nfs/dbraw/zinc/79/99/91/562799991.db2.gz	DOMXKRCGVLLVGT-UHFFFAOYSA-N	-1	3	552.110	2.664	1	30		KFEFHM
CCc1c2c(nc3ccc(OCc4cn(CCCCCC(=O)N[O-])nn4)cc31)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC	ZINC000096927731	562802669	/nfs/dbraw/zinc/80/26/69/562802669.db2.gz	DOASHSIQTDJOIL-HKBQPEDESA-N	-1	3	602.648	2.878	1	30		KFEFHM
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OCc4cn(CCCCCCC(=O)N[O-])nn4)cc2cc1C3	ZINC000096927736	562802680	/nfs/dbraw/zinc/80/26/80/562802680.db2.gz	HNRWFFAFRXKVJM-PMERELPUSA-N	-1	3	588.621	2.706	1	30		KFEFHM
Nc1nc(C(=O)N2CCC(C(=O)N[O-])(S(=O)(=O)c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)CC2)c(N)nc1C(=O)N1CCCC1	ZINC000096933016	562803564	/nfs/dbraw/zinc/80/35/64/562803564.db2.gz	JASUYRSWGSPWAS-UHFFFAOYSA-N	-1	3	693.661	2.522	1	30		KFEFHM
Cc1ccc(S(=O)(=O)N(CCn2cc(CCCCOc3cccnc3F)nn2)[C@@H](C(=O)N[O-])C(C)C)cc1	ZINC000096934267	562803854	/nfs/dbraw/zinc/80/38/54/562803854.db2.gz	BDPAGEAOFNRCNJ-HSZRJFAPSA-N	-1	3	548.641	2.743	1	30		KFEFHM
CC(C)[C@H](C(=O)N[O-])N(CCn1cc(CCCCOc2cccnc2F)nn1)S(=O)(=O)c1ccc(OCCF)cc1	ZINC000096934271	562803803	/nfs/dbraw/zinc/80/38/03/562803803.db2.gz	XJNFMEAYBQFDAS-XMMPIXPASA-N	-1	3	596.657	2.783	1	30		KFEFHM
CC(C)C[C@H](N[C@H](C(=O)NCc1ccccc1)c1c2ccc(Cl)cc2[nH]c1C(=O)NO)C(=O)N[O-]	ZINC000098208112	562805963	/nfs/dbraw/zinc/80/59/63/562805963.db2.gz	VRQFWSWBTGHUMK-ICSRJNTNSA-N	-1	3	501.971	2.808	1	30	in-vitro	KFEFHM
CC(C)C[C@H](N[C@@H](C(=O)NCc1ccccc1)c1c2ccc(Cl)cc2[nH]c1C(=O)NO)C(=O)N[O-]	ZINC000098208113	562805959	/nfs/dbraw/zinc/80/59/59/562805959.db2.gz	VRQFWSWBTGHUMK-AZUAARDMSA-N	-1	3	501.971	2.808	1	30	in-vitro	KFEFHM
CC(C)CC[C@]1(O)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000101829390	562812236	/nfs/dbraw/zinc/81/22/36/562812236.db2.gz	XOHVPLMTZQHMGI-QHCPKHFHSA-N	-1	3	519.601	2.747	1	30		KFEFHM
CC(C)CC[C@]1(O)c2ccccc2C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O	ZINC000101829390	562812235	/nfs/dbraw/zinc/81/22/35/562812235.db2.gz	XOHVPLMTZQHMGI-QHCPKHFHSA-N	-1	3	519.601	2.747	1	30		KFEFHM
COC(=O)[C@]12Oc3cc4c(c([O-])c3C(=O)C1C(=O)CC[C@@H]2O)[C@@H]1C=C[C@]2(C4)C(C(=O)c3c(O)cc(C)cc3[C@@H]2O)C1=O	ZINC000103084557	562814236	/nfs/dbraw/zinc/81/42/36/562814236.db2.gz	WBRUOKMAVDKRRI-JKGXIFKGSA-N	-1	3	574.538	2.641	1	30		KFEFHM
CC[C@@H]1/C=C\[C@H](O)[C@H](C)OC(=O)/C(C)=C\[C@H]2C(=O)NC3=CC(=O)c4c(cc(C)c([O-])c4C(=O)CC1)[C@@]32O	ZINC000103256119	562820776	/nfs/dbraw/zinc/82/07/76/562820776.db2.gz	NAKWTVLAAKACFD-FVBKRZELSA-N	-1	3	509.555	2.512	1	30		KFEFHM
CC[C@@H]1/C=C\[C@H](O)[C@H](C)OC(=O)/C(C)=C\[C@@H]2C(=O)NC3=CC(=O)c4c(cc(C)c([O-])c4C(=O)CC1)[C@@]32O	ZINC000103256121	562820760	/nfs/dbraw/zinc/82/07/60/562820760.db2.gz	NAKWTVLAAKACFD-WCZPGDOQSA-N	-1	3	509.555	2.512	1	30		KFEFHM
CC[C@@H]1/C=C\[C@H]([C@@H](C)O)OC(=O)/C(C)=C\[C@H]2C(=O)NC3=CC(=O)c4c(cc(C)c([O-])c4C(=O)CC1)[C@@]32O	ZINC000103256123	562820793	/nfs/dbraw/zinc/82/07/93/562820793.db2.gz	PFWPLMVAUKIPIA-DKGUMVODSA-N	-1	3	509.555	2.512	1	30		KFEFHM
CC[C@@H]1/C=C\[C@H]([C@H](C)O)OC(=O)/C(C)=C\[C@H]2C(=O)NC3=CC(=O)c4c(cc(C)c([O-])c4C(=O)CC1)[C@@]32O	ZINC000103256125	562820800	/nfs/dbraw/zinc/82/08/00/562820800.db2.gz	PFWPLMVAUKIPIA-MBNYTOIXSA-N	-1	3	509.555	2.512	1	30		KFEFHM
O=C(CCCCCN1C(=O)c2ccc(NC(=O)c3ccc(I)cc3)cc2S1(=O)=O)N[O-]	ZINC000103266746	562822368	/nfs/dbraw/zinc/82/23/68/562822368.db2.gz	WHEVSNAUXAJIPH-UHFFFAOYSA-N	-1	3	557.366	2.754	1	30		KFEFHM
O=C(CCCCCN1C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2S1(=O)=O)N[O-]	ZINC000103266755	562822370	/nfs/dbraw/zinc/82/23/70/562822370.db2.gz	IVOYLCWMZIWSKB-UHFFFAOYSA-N	-1	3	510.366	2.912	1	30		KFEFHM
COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(CN4CCc5ccc(F)cc5C4)nc3)NC(=O)[N-]C1=O)C2	ZINC000143275993	562834851	/nfs/dbraw/zinc/83/48/51/562834851.db2.gz	JXUJWTDWBHFDPM-SSEXGKCCSA-N	-1	3	557.557	2.512	1	30		KFEFHM
COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(-c4nc(-c5cnn(C)c5)ccc4O)cc3)NC(=O)[N-]C1=O)C2	ZINC000143378901	562834968	/nfs/dbraw/zinc/83/49/68/562834968.db2.gz	WRRSXVWQBFKQBS-SSEXGKCCSA-N	-1	3	566.549	2.588	1	30		KFEFHM
CCN1CCN(c2cccc(-c3ccc(C#C[C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)NC(=O)[N-]C4=O)cc3)n2)CC1	ZINC000143429188	562835051	/nfs/dbraw/zinc/83/50/51/562835051.db2.gz	ZPAIQTBIQOULME-JGCGQSQUSA-N	-1	3	582.636	2.624	1	30		KFEFHM
CCN1CCN(c2cccc(-c3ccc(C#C[C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)NC(=O)[N-]C4=O)cc3F)n2)CC1	ZINC000143429381	562835010	/nfs/dbraw/zinc/83/50/10/562835010.db2.gz	HUPOKPFSIDAEKF-JGCGQSQUSA-N	-1	3	600.626	2.763	1	30		KFEFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cccc(N5CCSCC5)n4)cc3)NC(=O)[N-]C1=O)C2	ZINC000143451903	562835056	/nfs/dbraw/zinc/83/50/56/562835056.db2.gz	OMFGJZSSAVCFIY-SSEXGKCCSA-N	-1	3	553.644	2.896	1	30		KFEFHM
COc1ccc2ncc(F)c(C/C(=N\[O-])C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149190243	562842387	/nfs/dbraw/zinc/84/23/87/562842387.db2.gz	XBKXMNKOELLBBC-FMFFXOCNSA-N	-1	3	522.537	2.748	1	30		KFEFHM
COc1ccc2ncc(F)c(C/C(=N/[O-])C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149190470	562842375	/nfs/dbraw/zinc/84/23/75/562842375.db2.gz	XBKXMNKOELLBBC-UCMJSZAQSA-N	-1	3	522.537	2.748	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@@H](C(=O)N[O-])C(=O)[C@H](N)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1	ZINC000150538847	562844091	/nfs/dbraw/zinc/84/40/91/562844091.db2.gz	CUMAINDBHIBBFU-QLWXXVCSSA-N	-1	3	702.742	2.924	1	30		KFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@@H](C(=O)N[O-])C(=O)[C@@H](N)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1	ZINC000150538850	562844094	/nfs/dbraw/zinc/84/40/94/562844094.db2.gz	CUMAINDBHIBBFU-BHDXBOSCSA-N	-1	3	702.742	2.924	1	30		KFEFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc([C@@H](N=O)N4CCN(c5ccccc5)CC4)cc3)NC(=O)[N-]C1=O)C2	ZINC000169694533	562865400	/nfs/dbraw/zinc/86/54/00/562865400.db2.gz	NAISYEGRZYFSNR-GMCHKSTQSA-N	-1	3	578.629	2.868	1	30		KFEFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc([C@H](N=O)N4CCN(c5ccccc5)CC4)cc3)NC(=O)[N-]C1=O)C2	ZINC000169694534	562865406	/nfs/dbraw/zinc/86/54/06/562865406.db2.gz	NAISYEGRZYFSNR-AKGWNBJDSA-N	-1	3	578.629	2.868	1	30		KFEFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc([C@@H](N=O)N4CCCCC4)cc3)NC(=O)[N-]C1=O)C2	ZINC000169694544	562865353	/nfs/dbraw/zinc/86/53/53/562865353.db2.gz	ABHVVLUTNCKKEX-WNCULLNHSA-N	-1	3	501.543	2.532	1	30		KFEFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc([C@H](N=O)N4CCCCC4)cc3)NC(=O)[N-]C1=O)C2	ZINC000169694545	562865423	/nfs/dbraw/zinc/86/54/23/562865423.db2.gz	ABHVVLUTNCKKEX-YIXXDRMTSA-N	-1	3	501.543	2.532	1	30		KFEFHM
CCC[C@H]1C(=O)O[C@H]2c3cc(C)cc([O-])c3C3=C(C(=O)c4c(O[C@H]5C[C@@H](O)[C@@H](O)[C@H](C)O5)cccc4C3=O)N12	ZINC000199622936	562873008	/nfs/dbraw/zinc/87/30/08/562873008.db2.gz	UISVOFCCNUPNLI-OZLNRHHDSA-N	-1	3	535.549	2.766	1	30		KFEFHM
CCC[C@H]1C(=O)O[C@@H]2c3cc(C)cc([O-])c3C3=C(C(=O)c4c(O[C@H]5C[C@@H](O)[C@@H](O)[C@H](C)O5)cccc4C3=O)N21	ZINC000199622949	562872983	/nfs/dbraw/zinc/87/29/83/562872983.db2.gz	UISVOFCCNUPNLI-WBJLIYGNSA-N	-1	3	535.549	2.766	1	30		KFEFHM
C/C(=C/C[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c([O-])cccc5O[C@]431)C2=O)COC(=O)CN1CCN(C)CC1	ZINC000299852207	562890889	/nfs/dbraw/zinc/89/08/89/562890889.db2.gz	OTVQYXUVTSSKBE-FJKPPXSBSA-N	-1	3	536.625	2.526	1	30		KFEFHM
C/C(=C/C[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c([O-])cccc5O[C@]431)C2=O)COC(=O)CN1CCOCC1	ZINC000299852703	562890991	/nfs/dbraw/zinc/89/09/91/562890991.db2.gz	WNLBPSYYFFENLD-XNAYPOFJSA-N	-1	3	523.582	2.611	1	30		KFEFHM
Cc1cc([O-])c2c(c1)[C@@H]1OC(=O)[C@H](COCc3cn(Cc4ccccc4)nn3)N1C1=C2C(=O)c2cccc(O[C@H]3C[C@@H](O)[C@@H](O)[C@H](C)O3)c2C1=O	ZINC000473110932	562898553	/nfs/dbraw/zinc/89/85/53/562898553.db2.gz	XXXMWVPFQNQLBB-LDYBIWFWSA-N	-1	3	694.697	2.823	1	30		KFEFHM
Cc1cc([O-])c2c(c1)[C@H]1OC(=O)[C@H](COCc3cn(Cc4ccccc4)nn3)N1C1=C2C(=O)c2cccc(O[C@H]3C[C@@H](O)[C@@H](O)[C@H](C)O3)c2C1=O	ZINC000473110933	562898576	/nfs/dbraw/zinc/89/85/76/562898576.db2.gz	XXXMWVPFQNQLBB-MEYFIZFXSA-N	-1	3	694.697	2.823	1	30		KFEFHM
Nc1nc(-n2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CC/C(=N\OCc5ccccc5)[C@H](N)C4)nc32)c(F)cc1F	ZINC000653843513	562915017	/nfs/dbraw/zinc/91/50/17/562915017.db2.gz	QBRRGDXJCLRSMA-JWOHJNGSSA-N	-1	3	553.501	2.589	1	30		KFEFHM
Nc1nc(-n2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CC/C(=N\OCc5ccccc5)[C@@H](N)C4)nc32)c(F)cc1F	ZINC000653843514	562915025	/nfs/dbraw/zinc/91/50/25/562915025.db2.gz	QBRRGDXJCLRSMA-ZWEJSZGMSA-N	-1	3	553.501	2.589	1	30		KFEFHM