smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(-c2coc(-c3ccc(Oc4ccc(N5CCCC56C(=O)NC(=O)NC6=O)cn4)cc3)n2)cc1	ZINC000003926102	561686631	/nfs/dbraw/zinc/68/66/31/561686631.db2.gz	AVCSBRLWHLUWMX-UHFFFAOYSA-N	0	1	520.505	3.773	1	30		KHEFMN
N#Cc1cccc(-c2coc(-c3ccc(Oc4ccc(N5CCCC56C(=O)NC(=O)NC6=O)cn4)cc3)n2)c1	ZINC000003926105	561686622	/nfs/dbraw/zinc/68/66/22/561686622.db2.gz	BIPRBNGRDMIZHW-UHFFFAOYSA-N	0	1	520.505	3.773	1	30		KHEFMN
COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)C(=O)N1	ZINC000003979355	561692202	/nfs/dbraw/zinc/69/22/02/561692202.db2.gz	MMJIOQBMUWSARZ-SANMLTNESA-N	0	1	599.610	3.901	1	30		KHEFMN
CCc1cc2c(nc1CC)CCN(CC/C(C)=N/OCC[C@@H]1C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O1)C2	ZINC000008035750	561704880	/nfs/dbraw/zinc/70/48/80/561704880.db2.gz	SKKCEUXMMAMHFH-JTRFBDOMSA-N	0	1	515.651	3.556	1	30		KHEFMN
C[C@H](CNc1cccc(CNC([O-])=NS(=O)(=O)c2ccccc2)c1)[NH2+]C[C@H](O)c1cccc(Cl)c1	ZINC000013472205	561714115	/nfs/dbraw/zinc/71/41/15/561714115.db2.gz	GCPYHBLSPJNXID-KOSHJBKYSA-N	0	1	517.051	3.856	1	30		KHEFMN
C[C@H](CNc1cccc(CNC(=O)[N-]S(=O)(=O)c2ccccc2)c1)[NH2+]C[C@H](O)c1cccc(Cl)c1	ZINC000013472205	561714113	/nfs/dbraw/zinc/71/41/13/561714113.db2.gz	GCPYHBLSPJNXID-KOSHJBKYSA-N	0	1	517.051	3.856	1	30		KHEFMN
Cc1cc(OCc2ccc(C#N)cc2)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)NCCCc1ccccc1	ZINC000013735534	561725612	/nfs/dbraw/zinc/72/56/12/561725612.db2.gz	NHCCKEVHSJJHRD-BTYSJIOQSA-N	0	1	512.654	3.878	1	30		KHEFMN
CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O	ZINC000013809157	561731576	/nfs/dbraw/zinc/73/15/76/561731576.db2.gz	LDXAPIWITLZXNM-XMMPIXPASA-N	0	1	511.548	3.748	1	30		KHEFMN
CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC1=O	ZINC000013809159	561731574	/nfs/dbraw/zinc/73/15/74/561731574.db2.gz	LDXAPIWITLZXNM-DEOSSOPVSA-N	0	1	511.548	3.748	1	30		KHEFMN
CCCCCCCCCCOCCOCCOC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(C)=O	ZINC000014088197	561736184	/nfs/dbraw/zinc/73/61/84/561736184.db2.gz	PTERJJKKWNFLHN-DEOSSOPVSA-O	0	1	528.644	3.948	1	30		KHEFMN
CCCCCCCCCCOCCOCCOC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(C)=O	ZINC000014088199	561736180	/nfs/dbraw/zinc/73/61/80/561736180.db2.gz	PTERJJKKWNFLHN-XMMPIXPASA-O	0	1	528.644	3.948	1	30		KHEFMN
COCC1=C(C(=O)OC)[C@@H](c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)C(=O)N1	ZINC000014096339	561736438	/nfs/dbraw/zinc/73/64/38/561736438.db2.gz	MMJIOQBMUWSARZ-AREMUKBSSA-N	0	1	599.610	3.901	1	30		KHEFMN
C=CC[C@@]1(N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)c2ccccc2NC1=O	ZINC000014946412	561743879	/nfs/dbraw/zinc/74/38/79/561743879.db2.gz	JETADCIDVOPMFX-ZZIVEYDLSA-N	0	1	563.695	3.828	1	30		KHEFMN
C=CC[C@]1(N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)c2ccccc2NC1=O	ZINC000014946413	561743856	/nfs/dbraw/zinc/74/38/56/561743856.db2.gz	JETADCIDVOPMFX-YCSUNMESSA-N	0	1	563.695	3.828	1	30		KHEFMN
C#CCN(Cc1cc2c(cc1Cl)nc(CN1CCN(CC)CC1)n(C)c2=O)c1ccc(C(=O)NCc2cccnc2)cc1	ZINC000022036138	561759000	/nfs/dbraw/zinc/75/90/00/561759000.db2.gz	NTAXLSLJDSUQBG-UHFFFAOYSA-N	0	1	598.151	3.689	1	30		KHEFMN
CN(c1c(CN2CCN(C)CC2)cccc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1	ZINC000022450147	561759249	/nfs/dbraw/zinc/75/92/49/561759249.db2.gz	YYZDREAOBMTNAP-UHFFFAOYSA-N	0	1	545.061	3.824	1	30		KHEFMN
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC)C(=O)NCCC(C)C	ZINC000026159605	561768493	/nfs/dbraw/zinc/76/84/93/561768493.db2.gz	MTSFYWYUMSFYNX-YDPTYEFTSA-N	0	1	666.864	3.719	1	30		KHEFMN
CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O	ZINC000026644456	561807186	/nfs/dbraw/zinc/80/71/86/561807186.db2.gz	YKHANSHTGFUQLD-RUZDIDTESA-N	0	1	536.558	3.619	1	30		KHEFMN
CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C1=O	ZINC000026651220	561808437	/nfs/dbraw/zinc/80/84/37/561808437.db2.gz	ACUBKRQETGSILZ-AREMUKBSSA-N	0	1	550.585	3.961	1	30		KHEFMN
O=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCCCN1CCOCC1)NO	ZINC000026657227	561809663	/nfs/dbraw/zinc/80/96/63/561809663.db2.gz	MWWSEQIBKWJTDA-VPUSJEBWSA-N	0	1	579.182	3.858	1	30		KHEFMN
Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCCCN2CCOCC2)cc1	ZINC000026658294	561809856	/nfs/dbraw/zinc/80/98/56/561809856.db2.gz	UVOFCKSSQUNXIZ-IZLXSDGUSA-N	0	1	558.764	3.513	1	30		KHEFMN
COc1ccc(S(=O)(=O)N(C)c2c(CN3CCN(C)CC3)cc(-c3ccc(OC(F)(F)F)cc3)cc2C(=O)NO)cc1	ZINC000026745233	561818629	/nfs/dbraw/zinc/81/86/29/561818629.db2.gz	CLPQPSHMBDAYLR-UHFFFAOYSA-N	0	1	608.639	3.952	1	30		KHEFMN
CCc1cc(-c2ccccc2)cc(CC)[n+]1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cc1	ZINC000026753273	561820106	/nfs/dbraw/zinc/82/01/06/561820106.db2.gz	BWLCUVDSGZQBCA-UHFFFAOYSA-O	0	1	579.724	3.853	1	30		KHEFMN
COCC1=C(C(=O)OC)[C@@H](c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3F)CC2)C(=O)N1	ZINC000027547218	561867103	/nfs/dbraw/zinc/86/71/03/561867103.db2.gz	GDBMQKGUAQWBLZ-AREMUKBSSA-N	0	1	599.610	3.901	1	30		KHEFMN
COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3F)CC2)C(=O)N1	ZINC000027547222	561867106	/nfs/dbraw/zinc/86/71/06/561867106.db2.gz	GDBMQKGUAQWBLZ-SANMLTNESA-N	0	1	599.610	3.901	1	30		KHEFMN
COCC1=C(C(=O)OC)[C@@H](c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3cccc(F)c3)CC2)C(=O)N1	ZINC000027547721	561867160	/nfs/dbraw/zinc/86/71/60/561867160.db2.gz	FSLHHCTXUZIEFO-AREMUKBSSA-N	0	1	599.610	3.901	1	30		KHEFMN
COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3cccc(F)c3)CC2)C(=O)N1	ZINC000027547725	561867193	/nfs/dbraw/zinc/86/71/93/561867193.db2.gz	FSLHHCTXUZIEFO-SANMLTNESA-N	0	1	599.610	3.901	1	30		KHEFMN
COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)[C@@H]2c2ccc3c(c2)OCO3)CC1	ZINC000027563492	561871325	/nfs/dbraw/zinc/87/13/25/561871325.db2.gz	SDLAGDZFGDPJLC-PMERELPUSA-N	0	1	573.690	3.952	1	30		KHEFMN
COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)[C@H]2c2ccc3c(c2)OCO3)CC1	ZINC000027563495	561871399	/nfs/dbraw/zinc/87/13/99/561871399.db2.gz	SDLAGDZFGDPJLC-SSEXGKCCSA-N	0	1	573.690	3.952	1	30		KHEFMN
C#CCN(Cc1cc2c(cc1C)nc(CN1CCN(C)CC1)[nH]c2=O)c1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)c(F)c1	ZINC000027747708	561883082	/nfs/dbraw/zinc/88/30/82/561883082.db2.gz	YKYGLROYAXGHKK-UHFFFAOYSA-N	0	1	611.678	3.596	1	30		KHEFMN
Cc1cc(OCc2ccc(C#N)cc2)cc(C)c1C[C@@H](N)C(=O)N[C@H](C)C(=O)NCCCc1ccccc1	ZINC000027992469	561893176	/nfs/dbraw/zinc/89/31/76/561893176.db2.gz	NHCCKEVHSJJHRD-RNWIMVQKSA-N	0	1	512.654	3.878	1	30		KHEFMN
C=CCn1c(CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc2ccccc21	ZINC000028003772	561895238	/nfs/dbraw/zinc/89/52/38/561895238.db2.gz	UZQBGPGDTHZZAU-WNJJXGMVSA-N	0	1	537.664	3.684	1	30		KHEFMN
[O-]/N=C(\Cn1cnc2c1ncnc2-n1cccc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000028102757	561901954	/nfs/dbraw/zinc/90/19/54/561901954.db2.gz	XWMXVUMVNQHOLW-IVQJCJPDSA-N	0	1	506.614	3.854	1	30		KHEFMN
CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)OCc1ccccc1	ZINC000028110044	561902920	/nfs/dbraw/zinc/90/29/20/561902920.db2.gz	ZUEGHEHOPXDNRU-BKHJTQGXSA-N	0	1	583.689	3.858	1	30		KHEFMN
COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)c(C#N)c1	ZINC000028117838	561904055	/nfs/dbraw/zinc/90/40/55/561904055.db2.gz	XKZYORMXFAIYCV-UHFFFAOYSA-N	0	1	550.623	3.853	1	30		KHEFMN
COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1C#N	ZINC000028117845	561904089	/nfs/dbraw/zinc/90/40/89/561904089.db2.gz	WGSXTQZQLZETNP-UHFFFAOYSA-N	0	1	550.623	3.853	1	30		KHEFMN
CCCCN1C(=O)N(Cc2cccc(C(=[NH2+])NO)c2)[C@H](Cc2ccccc2)[C@H](O)CN1S(=O)(=O)c1cccc(/C(C)=N\[O-])c1	ZINC000028360351	561916747	/nfs/dbraw/zinc/91/67/47/561916747.db2.gz	XUCIQPFRRYBYJU-QNSAQEDESA-N	0	1	622.748	3.805	1	30		KHEFMN
Cc1nc(CN2CCN([C@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(/C=N\O)cc3)C(C)C)C2=O)cs1	ZINC000028521026	561929231	/nfs/dbraw/zinc/92/92/31/561929231.db2.gz	PJLSJXTZOMOVBI-FORPJIAOSA-N	0	1	698.912	3.957	1	30		KHEFMN
Cc1nc(CN2CCN([C@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3cccc(/C=N\O)c3)C(C)C)C2=O)cs1	ZINC000028525390	561931187	/nfs/dbraw/zinc/93/11/87/561931187.db2.gz	MQVMIDPOEVFGMA-FORPJIAOSA-N	0	1	698.912	3.957	1	30		KHEFMN
CCC(CC)(NS(=O)(=O)c1cccc(NC(=NC#N)Nc2ccccc2Br)c1O)N1CCOCC1	ZINC000028604062	561940621	/nfs/dbraw/zinc/94/06/21/561940621.db2.gz	GULGFHPSYNQMBP-UHFFFAOYSA-N	0	1	565.494	3.643	1	30		KHEFMN
C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c(C)cc(O)cc1C)NCC=C	ZINC000028816960	561964505	/nfs/dbraw/zinc/96/45/05/561964505.db2.gz	ILJAICMRHMTKBM-ZQWQDMLBSA-N	0	1	718.899	3.925	1	30		KHEFMN
N#Cc1ncc2nc1OCC/C=C\COc1ccc(OCCCCCN3CCOCC3)cc1NC(=O)N2	ZINC000028826105	561971168	/nfs/dbraw/zinc/97/11/68/561971168.db2.gz	ALYHLAXKNSBSMS-DJWKRKHSSA-N	0	1	508.579	3.591	1	30		KHEFMN
N#Cc1ncc2nc1OCCCCCOc1ccc(OCCCCCN3CCOCC3)cc1NC(=O)N2	ZINC000028826239	561971280	/nfs/dbraw/zinc/97/12/80/561971280.db2.gz	SOBKATSTJDMORB-UHFFFAOYSA-N	0	1	510.595	3.815	1	30		KHEFMN
CC(C)CC[C@]1(C)c2ccccc2C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O	ZINC000028882644	561977198	/nfs/dbraw/zinc/97/71/98/561977198.db2.gz	ZTRJLSWOQIDJIS-XMMPIXPASA-N	0	1	517.629	3.817	1	30		KHEFMN
CC(C)CC[C@@]1(C)c2ccccc2C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O	ZINC000028882650	561977249	/nfs/dbraw/zinc/97/72/49/561977249.db2.gz	ZTRJLSWOQIDJIS-DEOSSOPVSA-N	0	1	517.629	3.817	1	30		KHEFMN
C[C@]1(CCC2CCC2)c2ccccc2C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O	ZINC000028882667	561977191	/nfs/dbraw/zinc/97/71/91/561977191.db2.gz	PLEWNNCHRZYRKY-VWLOTQADSA-N	0	1	529.640	3.961	1	30		KHEFMN
C[C@@]1(CCC2CCC2)c2ccccc2C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O	ZINC000028882673	561977314	/nfs/dbraw/zinc/97/73/14/561977314.db2.gz	PLEWNNCHRZYRKY-RUZDIDTESA-N	0	1	529.640	3.961	1	30		KHEFMN
COc1cc2c(cc1C#CCCN1CCN(C)CC1)ncc(C#N)c2Nc1cc(OC)c(OC)c(OC)c1	ZINC000028888091	561978022	/nfs/dbraw/zinc/97/80/22/561978022.db2.gz	CTXMXHQMJNELML-UHFFFAOYSA-N	0	1	515.614	3.873	1	30		KHEFMN
Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(Cc4ccccc4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1	ZINC000029130054	562002279	/nfs/dbraw/zinc/00/22/79/562002279.db2.gz	XZHJCGLTNPMNLE-XTEPFMGCSA-N	0	1	510.594	3.858	1	30		KHEFMN
CCCC[C@]1(C)c2ccccc2C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O	ZINC000029131358	562002978	/nfs/dbraw/zinc/00/29/78/562002978.db2.gz	BGXHOYWDLYVYAZ-HSZRJFAPSA-N	0	1	503.602	3.571	1	30		KHEFMN
CCCC1(CCC)c2ccccc2C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O	ZINC000029131440	562003037	/nfs/dbraw/zinc/00/30/37/562003037.db2.gz	OWECDRVTDSTQDD-UHFFFAOYSA-N	0	1	517.629	3.961	1	30		KHEFMN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCc3ccc(C#N)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000029203708	562004888	/nfs/dbraw/zinc/00/48/88/562004888.db2.gz	LCRNHSVADVWRRI-ULBKPHCJSA-N	0	1	514.534	3.775	1	30		KHEFMN
CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1	ZINC000029390337	562017149	/nfs/dbraw/zinc/01/71/49/562017149.db2.gz	ZJHCRGOBWWAXOV-JOCHJYFZSA-N	0	1	517.580	3.778	1	30		KHEFMN
CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1	ZINC000029392999	562017757	/nfs/dbraw/zinc/01/77/57/562017757.db2.gz	KAXNWVHHUKHNDK-JOCHJYFZSA-N	0	1	535.570	3.917	1	30		KHEFMN
CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C	ZINC000029393093	562017802	/nfs/dbraw/zinc/01/78/02/562017802.db2.gz	GVKWLDRHBDGOOP-OAQYLSRUSA-N	0	1	507.585	3.643	1	30		KHEFMN
CCc1cc2c(nc1CC)CCN(CC/C(C)=N/OCC[C@@H]1C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O1)C2	ZINC000034149068	562038397	/nfs/dbraw/zinc/03/83/97/562038397.db2.gz	SKKCEUXMMAMHFH-QUYYXRBSSA-N	0	1	515.651	3.556	1	30		KHEFMN
CCCCCCCCn1nnn(-c2ccc(S(=O)(=O)[N-]c3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)c1=O	ZINC000034801589	562041254	/nfs/dbraw/zinc/04/12/54/562041254.db2.gz	BOWQSHCMIGFCJK-LJAQVGFWSA-N	0	1	593.754	3.851	1	30		KHEFMN
CCC(CC)(NS(=O)(=O)c1c(C)ccc(NC(=NC#N)Nc2ccccc2Br)c1O)N1CCOCC1	ZINC000036143847	562048288	/nfs/dbraw/zinc/04/82/88/562048288.db2.gz	ULCDGLYZEHBIFT-UHFFFAOYSA-N	0	1	579.521	3.951	1	30		KHEFMN
C#CC(C)(C)N1CCC(CC(=O)NO)(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1	ZINC000036351986	562059514	/nfs/dbraw/zinc/05/95/14/562059514.db2.gz	ALAICNBWAOLDPL-UHFFFAOYSA-N	0	1	514.626	3.994	1	30		KHEFMN
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12C[N@@H+](CCCC(=O)[O-])C[C@H]2c1ccc(C#N)cc1	ZINC000037858952	562062158	/nfs/dbraw/zinc/06/21/58/562062158.db2.gz	GLGFUMDYDHOFDP-GBXCKJPGSA-N	0	1	501.370	3.966	1	30		KHEFMN
CCCC[C@@]1(C)c2ccccc2C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O	ZINC000038364291	562071432	/nfs/dbraw/zinc/07/14/32/562071432.db2.gz	BGXHOYWDLYVYAZ-QHCPKHFHSA-N	0	1	503.602	3.571	1	30		KHEFMN
CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCN1CCN(C)CC1	ZINC000040952373	562086130	/nfs/dbraw/zinc/08/61/30/562086130.db2.gz	LWIRXSJZDXSXHM-UHFFFAOYSA-N	0	1	527.673	3.951	1	30		KHEFMN
COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(/C(C)=N\[O-])cc(N3CCCCS3(=O)=O)c2)c1	ZINC000043024248	562645041	/nfs/dbraw/zinc/64/50/41/562645041.db2.gz	MLQVWTFEORRPFZ-RQKIFUPDSA-N	0	1	630.714	3.593	1	30		KHEFMN
CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2)cc1	ZINC000044307666	562654079	/nfs/dbraw/zinc/65/40/79/562654079.db2.gz	YCELWYOPQGUTDN-PXJZQJOASA-N	0	1	568.678	3.526	1	30		KHEFMN
CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2)cc1	ZINC000044307669	562654098	/nfs/dbraw/zinc/65/40/98/562654098.db2.gz	YCELWYOPQGUTDN-YTMVLYRLSA-N	0	1	568.678	3.526	1	30		KHEFMN
CCN(CC)C(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2)cc1	ZINC000044350660	562654304	/nfs/dbraw/zinc/65/43/04/562654304.db2.gz	CVDCILQPWZQPLG-DGPALRBDSA-N	0	1	582.705	3.869	1	30		KHEFMN
CCN(CC)C(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2)cc1	ZINC000044350664	562654319	/nfs/dbraw/zinc/65/43/19/562654319.db2.gz	CVDCILQPWZQPLG-JDXGNMNLSA-N	0	1	582.705	3.869	1	30		KHEFMN
C[C@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)O1)n1cc(C#CCN2CCC(c3ccccc3)CC2)nn1	ZINC000044351357	562654634	/nfs/dbraw/zinc/65/46/34/562654634.db2.gz	VBPYMHAREYTOGZ-GJKWRRCWSA-N	0	1	602.824	3.967	1	30		KHEFMN
C[C@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)N2CCN(C[C@H]3CCCO3)CC2)O1)n1cc(C#CCN2CCC(c3ccccc3)CC2)nn1	ZINC000044351360	562654623	/nfs/dbraw/zinc/65/46/23/562654623.db2.gz	VBPYMHAREYTOGZ-QPMBETBDSA-N	0	1	602.824	3.967	1	30		KHEFMN
N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)NCC4CC4)cc3)C2)cc1	ZINC000044351494	562654693	/nfs/dbraw/zinc/65/46/93/562654693.db2.gz	BRQVGSTYYOHAJE-DGPALRBDSA-N	0	1	580.689	3.527	1	30		KHEFMN
N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)NCC4CC4)cc3)C2)cc1	ZINC000044351496	562654689	/nfs/dbraw/zinc/65/46/89/562654689.db2.gz	BRQVGSTYYOHAJE-JDXGNMNLSA-N	0	1	580.689	3.527	1	30		KHEFMN
CCCNC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2)cc1	ZINC000044351556	562654718	/nfs/dbraw/zinc/65/47/18/562654718.db2.gz	PLVJHUDIKYHLGU-PXJZQJOASA-N	0	1	568.678	3.527	1	30		KHEFMN
CCCNC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2)cc1	ZINC000044351557	562654747	/nfs/dbraw/zinc/65/47/47/562654747.db2.gz	PLVJHUDIKYHLGU-YTMVLYRLSA-N	0	1	568.678	3.527	1	30		KHEFMN
Cc1cc(Cc2ccc(Cl)c(Oc3cc(C#N)cc(C#N)c3)c2F)nn(COC(=O)[C@@H](N)C(C)C)c1=O	ZINC000044430766	562657639	/nfs/dbraw/zinc/65/76/39/562657639.db2.gz	UOHBSIIFRMWMRT-QHCPKHFHSA-N	0	1	523.952	3.955	1	30		KHEFMN
Cc1cc(Cc2ccc(Cl)c(Oc3cc(C#N)cc(C#N)c3)c2F)nn(COC(=O)[C@@H]2CCCN2)c1=O	ZINC000044431040	562657706	/nfs/dbraw/zinc/65/77/06/562657706.db2.gz	BNRQXCXSPUAFHQ-QFIPXVFZSA-N	0	1	521.936	3.723	1	30		KHEFMN
CCOC(=O)N1CCN(CCCCCNc2cc(C)nc(NC(=N)Nc3ccc(Cl)cc3)n2)CC1	ZINC000045193776	562658752	/nfs/dbraw/zinc/65/87/52/562658752.db2.gz	LTZPXXRGVGNGDO-UHFFFAOYSA-N	0	1	503.051	3.853	1	30		KHEFMN
Cn1cc(/C=C2\Oc3cccc(O)c3C2=O)c2c1nccc2N1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)O3)CC1	ZINC000049087567	562664304	/nfs/dbraw/zinc/66/43/04/562664304.db2.gz	DQBWVSRNMDACJQ-VRXGLIANSA-N	0	1	514.582	3.501	1	30		KHEFMN
Cc1cc(N2CCN(CC#N)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc21	ZINC000049088922	562664402	/nfs/dbraw/zinc/66/44/02/562664402.db2.gz	BKRADANXACAJKT-HSZRJFAPSA-N	0	1	518.021	3.671	1	30		KHEFMN
N#Cc1cccc(S(=O)(=O)N2C[C@H]([NH+]3CCC(F)CC3)C[C@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])c1	ZINC000049678056	562668416	/nfs/dbraw/zinc/66/84/16/562668416.db2.gz	TXGCBKLXHVSCNM-UIUQJESISA-N	0	1	717.607	3.890	1	30		KHEFMN
O=C(NCCC/N=C/c1cc(I)cc(I)c1O)c1ccccc1O	ZINC000049756841	562675246	/nfs/dbraw/zinc/67/52/46/562675246.db2.gz	PTCJZGGHLKHYAD-KEBDBYFISA-N	0	1	550.134	3.546	1	30		KHEFMN
O=C(NCCCC/N=C/c1cc(I)cc(I)c1O)c1ccccc1O	ZINC000049761890	562676190	/nfs/dbraw/zinc/67/61/90/562676190.db2.gz	ZLLLEHMCOKXIJA-SRZZPIQSSA-N	0	1	564.161	3.936	1	30		KHEFMN
CCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NO	ZINC000049777664	562680391	/nfs/dbraw/zinc/68/03/91/562680391.db2.gz	PAJIKQDSEDLEMX-CHQNGUEUSA-N	0	1	648.805	3.634	1	30		KHEFMN
CCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O	ZINC000049780216	562681438	/nfs/dbraw/zinc/68/14/38/562681438.db2.gz	OAMYOEHGSFIQIQ-CHQNGUEUSA-N	0	1	632.806	3.614	1	30		KHEFMN
CCCCCCCCCCC(=O)N[C@@H](CC1=NCN=C1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1N	ZINC000049781177	562682721	/nfs/dbraw/zinc/68/27/21/562682721.db2.gz	WTOMESPKMJZELX-AFEGWXKPSA-N	0	1	713.884	3.980	1	30		KHEFMN
C[C@@H](CNC(=O)c1ccccc1O)/N=C/c1cc(I)cc(I)c1O	ZINC000049781292	562682906	/nfs/dbraw/zinc/68/29/06/562682906.db2.gz	UAMFJBHNQCJIOH-YPZZKDGISA-N	0	1	550.134	3.544	1	30		KHEFMN
C[C@H](CNC(=O)c1ccccc1O)/N=C/c1cc(I)cc(I)c1O	ZINC000049781293	562682897	/nfs/dbraw/zinc/68/28/97/562682897.db2.gz	UAMFJBHNQCJIOH-KTMXNEEYSA-N	0	1	550.134	3.544	1	30		KHEFMN
COc1ccc(C(=O)Nc2nc(-c3ccccc3[O-])cc(-c3cccc(C(=O)NCC[NH3+])c3)c2C#N)cc1	ZINC000049803113	562686025	/nfs/dbraw/zinc/68/60/25/562686025.db2.gz	QYYSXFMVHCIZSK-UHFFFAOYSA-N	0	1	507.550	3.942	1	30		KHEFMN
Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C[n+]3cccc(C(=O)NCCc4ccccc4)c3)c2)cc1	ZINC000049803302	562686077	/nfs/dbraw/zinc/68/60/77/562686077.db2.gz	AFEKRYDQLZOWDG-UHFFFAOYSA-O	0	1	529.642	3.695	1	30		KHEFMN
COc1ccccc1C(=O)Nc1nc(-c2ccccc2[O-])cc(-c2cccc(C(=O)NCC[NH3+])c2)c1C#N	ZINC000049803883	562686266	/nfs/dbraw/zinc/68/62/66/562686266.db2.gz	LMGWTSAHXHKVHU-UHFFFAOYSA-N	0	1	507.550	3.942	1	30		KHEFMN
CC(C)C[C@@H](C=O)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)OCc1ccccc1	ZINC000049816858	581097129	/nfs/dbraw/zinc/09/71/29/581097129.db2.gz	PXPLGYQZZRGHTF-RGTFROLJSA-N	0	1	583.689	3.763	1	30		KHEFMN
CC(C)C[C@@H](C=O)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)OCc1ccccc1	ZINC000049816858	581097128	/nfs/dbraw/zinc/09/71/28/581097128.db2.gz	PXPLGYQZZRGHTF-RGTFROLJSA-N	0	1	583.689	3.763	1	30		KHEFMN
CC(C)C[C@H](C=O)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)OCc1ccccc1	ZINC000049816859	581097084	/nfs/dbraw/zinc/09/70/84/581097084.db2.gz	PXPLGYQZZRGHTF-XQQPTAJKSA-N	0	1	583.689	3.763	1	30		KHEFMN
CC(C)C[C@H](C=O)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)OCc1ccccc1	ZINC000049816859	581097083	/nfs/dbraw/zinc/09/70/83/581097083.db2.gz	PXPLGYQZZRGHTF-XQQPTAJKSA-N	0	1	583.689	3.763	1	30		KHEFMN
CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)OCc1ccccc1	ZINC000049816860	581097144	/nfs/dbraw/zinc/09/71/44/581097144.db2.gz	PXPLGYQZZRGHTF-JJILFORISA-N	0	1	583.689	3.763	1	30		KHEFMN
CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)OCc1ccccc1	ZINC000049816860	581097143	/nfs/dbraw/zinc/09/71/43/581097143.db2.gz	PXPLGYQZZRGHTF-JJILFORISA-N	0	1	583.689	3.763	1	30		KHEFMN
CC(C)C[C@H](C=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)OCc1ccccc1	ZINC000049816861	581097151	/nfs/dbraw/zinc/09/71/51/581097151.db2.gz	PXPLGYQZZRGHTF-OQGMSKNBSA-N	0	1	583.689	3.763	1	30		KHEFMN
CC(C)C[C@H](C=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)OCc1ccccc1	ZINC000049816861	581097150	/nfs/dbraw/zinc/09/71/50/581097150.db2.gz	PXPLGYQZZRGHTF-OQGMSKNBSA-N	0	1	583.689	3.763	1	30		KHEFMN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCc3cccc(C#N)c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000053045283	562696134	/nfs/dbraw/zinc/69/61/34/562696134.db2.gz	BGSVFCXPJNDYMF-ULBKPHCJSA-N	0	1	514.534	3.775	1	30		KHEFMN
Cc1ccc(C(=O)Nc2ccc(CN3CCN(CCO)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	ZINC000053298761	562697514	/nfs/dbraw/zinc/69/75/14/562697514.db2.gz	ZSRMOINLZARXLA-UHFFFAOYSA-N	0	1	562.596	3.819	1	30		KHEFMN
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2[nH]c(=O)[nH]c2c1	ZINC000053299143	562697585	/nfs/dbraw/zinc/69/75/85/562697585.db2.gz	BQFAZOJXNWYNKF-UHFFFAOYSA-N	0	1	548.569	3.978	1	30		KHEFMN
CCO/N=C1\c2ccccc2N(CC[N@@H+](C)[C@@H]2CCCN(c3ccc4c(=O)c(C(=O)[O-])cn(C5CC5)c4c3OC)C2)C1=O	ZINC000058598806	562700768	/nfs/dbraw/zinc/70/07/68/562700768.db2.gz	VEBMHVVUUGFXGR-AMDTVVDRSA-N	0	1	587.677	3.731	1	30		KHEFMN
CCO/N=C1\c2cc(F)ccc2N(CC[N@@H+](C)[C@@H]2CCCN(c3ccc4c(=O)c(C(=O)[O-])cn(C5CC5)c4c3OC)C2)C1=O	ZINC000058602553	562700830	/nfs/dbraw/zinc/70/08/30/562700830.db2.gz	NQIZFASFSAUJHT-QHGJPMBXSA-N	0	1	605.667	3.870	1	30		KHEFMN
COc1cc(/C=N/n2c(=S)n(CN3CCN(C)CC3)nc2-c2nc(C(C)C)cs2)cc(OC)c1OC	ZINC000064447986	562705454	/nfs/dbraw/zinc/70/54/54/562705454.db2.gz	FNZHPKDAASGNAX-DHRITJCHSA-N	0	1	531.708	3.774	1	30		KHEFMN
CC(C)(C)OC(=O)[C@@H](CCC(=O)N1CCN(c2ccc(C#N)cc2)CC1)n1c(=O)c2ccccc2[nH]c1=S	ZINC000064474587	562705821	/nfs/dbraw/zinc/70/58/21/562705821.db2.gz	ISXDIHCPFKHOFE-HSZRJFAPSA-N	0	1	533.654	3.943	1	30		KHEFMN
N#Cc1c(-c2ccccc2)cn(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1N1C(=O)CCC1=O	ZINC000064512490	562706208	/nfs/dbraw/zinc/70/62/08/562706208.db2.gz	JTWAUDASSOQSCJ-UHFFFAOYSA-N	0	1	503.565	3.927	1	30		KHEFMN
CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)c1ncnc(NN)c1[C@H]2c1ccc(Cl)cc1	ZINC000064574025	562708759	/nfs/dbraw/zinc/70/87/59/562708759.db2.gz	BVERIGOBCUVSEB-FQEVSTJZSA-N	0	1	525.034	3.990	1	30		KHEFMN
CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)c1ncnc(NN)c1[C@@H]2c1ccc(Cl)cc1	ZINC000064574026	562708738	/nfs/dbraw/zinc/70/87/38/562708738.db2.gz	BVERIGOBCUVSEB-HXUWFJFHSA-N	0	1	525.034	3.990	1	30		KHEFMN
CCO/N=C1\c2ccccc2N(CC[N@@H+](C)[C@H]2CCCN(c3ccc4c(=O)c(C(=O)[O-])cn(C5CC5)c4c3OC)C2)C1=O	ZINC000064633779	562708922	/nfs/dbraw/zinc/70/89/22/562708922.db2.gz	VEBMHVVUUGFXGR-NCELHRPSSA-N	0	1	587.677	3.731	1	30		KHEFMN
CCO/N=C1\c2cc(F)ccc2N(CC[N@@H+](C)[C@H]2CCCN(c3ccc4c(=O)c(C(=O)[O-])cn(C5CC5)c4c3OC)C2)C1=O	ZINC000064633806	562708945	/nfs/dbraw/zinc/70/89/45/562708945.db2.gz	NQIZFASFSAUJHT-SYFLCEGRSA-N	0	1	605.667	3.870	1	30		KHEFMN
COc1cc(C#N)ccc1Nc1nc(Nc2cc3c(cc2OC)CCN(CC(=O)N(C)C)CC3)ncc1Cl	ZINC000066251857	562714573	/nfs/dbraw/zinc/71/45/73/562714573.db2.gz	CPVCXTGQEFSNOQ-UHFFFAOYSA-N	0	1	536.036	3.995	1	30		KHEFMN
CCc1nccc(-c2ccc(C(=O)N3CCN(C4CCOCC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1	ZINC000068247145	562716176	/nfs/dbraw/zinc/71/61/76/562716176.db2.gz	KZSBTQPLINZDLL-UHFFFAOYSA-N	0	1	513.617	3.764	1	30		KHEFMN
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccc(C(N)=O)nc1	ZINC000071294367	562716860	/nfs/dbraw/zinc/71/68/60/562716860.db2.gz	WFTHXNNAGZEORJ-UHFFFAOYSA-N	0	1	535.570	3.907	1	30		KHEFMN
CNC(=O)c1ncc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2C)n1C	ZINC000071294484	562716919	/nfs/dbraw/zinc/71/69/19/562716919.db2.gz	NLILIZRMANYJEU-UHFFFAOYSA-N	0	1	552.601	3.506	1	30		KHEFMN
CCO/N=C(/c1ccc(Br)cc1)C1CCN(CCNC(=O)c2c(C)cc[n+]([O-])c2C)CC1	ZINC000071317018	562718108	/nfs/dbraw/zinc/71/81/08/562718108.db2.gz	GYVIIPAUWAZPST-VYIQYICTSA-N	0	1	503.441	3.582	1	30		KHEFMN
CN1CCN(Cn2nc(CN3C(=O)CSc4ccccc43)n(/N=C/c3ccc(Cl)cc3)c2=S)CC1	ZINC000072179662	562732369	/nfs/dbraw/zinc/73/23/69/562732369.db2.gz	CSIXOZIPWITRMR-VULFUBBASA-N	0	1	528.107	3.793	1	30		KHEFMN
Nc1cc(Cn2c3ccc(Cl)cc3c(-c3ccc[nH]c3=O)c2C(=O)[N-]S(=O)(=O)c2ccccc2N)cc[nH+]1	ZINC000073222855	562736424	/nfs/dbraw/zinc/73/64/24/562736424.db2.gz	GZWVEACOTVPIEK-UHFFFAOYSA-N	0	1	549.012	3.951	1	30		KHEFMN
Nc1cccc(S(=O)(=O)[N-]C(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2cc[nH+]c(N)c2)c1	ZINC000073223392	562736473	/nfs/dbraw/zinc/73/64/73/562736473.db2.gz	TVONNSZYYKAVIO-UHFFFAOYSA-N	0	1	549.012	3.951	1	30		KHEFMN
Nc1ccc(S(=O)(=O)[N-]C(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2cc[nH+]c(N)c2)cc1	ZINC000073223397	562736463	/nfs/dbraw/zinc/73/64/63/562736463.db2.gz	UUZCJWXAFJYJKR-UHFFFAOYSA-N	0	1	549.012	3.951	1	30		KHEFMN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCc3cccc(C#N)c3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000073280041	562737418	/nfs/dbraw/zinc/73/74/18/562737418.db2.gz	BGSVFCXPJNDYMF-YBJJANMISA-N	0	1	514.534	3.775	1	30		KHEFMN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCc3ccc(C#N)cc3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000073329508	562738099	/nfs/dbraw/zinc/73/80/99/562738099.db2.gz	LCRNHSVADVWRRI-YBJJANMISA-N	0	1	514.534	3.775	1	30		KHEFMN
CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2cc[nH+]c(N)c2)cc1	ZINC000082157763	562740986	/nfs/dbraw/zinc/74/09/86/562740986.db2.gz	BLWRXBJLGDZTHH-UHFFFAOYSA-N	0	1	627.104	3.741	1	30		KHEFMN
N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2cc[nH+]c(N)c2)cc1	ZINC000082158027	562741019	/nfs/dbraw/zinc/74/10/19/562741019.db2.gz	KZCQYXHBVDUVCJ-UHFFFAOYSA-N	0	1	559.007	3.666	1	30		KHEFMN
CCOC(=O)C1CC[NH+](CCCCOc2ccc(S(=O)(=O)N=C([O-])Nc3ccccc3)cc2)CC1	ZINC000084602405	562744052	/nfs/dbraw/zinc/74/40/52/562744052.db2.gz	FSNSBIOYWKHMSD-UHFFFAOYSA-N	0	1	503.621	3.836	1	30		KHEFMN
CCOC(=O)C1CC[NH+](CCCCOc2ccc(S(=O)(=O)[N-]C(=O)Nc3ccccc3)cc2)CC1	ZINC000084602405	562744051	/nfs/dbraw/zinc/74/40/51/562744051.db2.gz	FSNSBIOYWKHMSD-UHFFFAOYSA-N	0	1	503.621	3.836	1	30		KHEFMN
CC(C)(O)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1	ZINC000084653269	562746828	/nfs/dbraw/zinc/74/68/28/562746828.db2.gz	IWBWMEKXFWHGKV-YWMUFLPLSA-N	0	1	602.569	3.614	1	30		KHEFMN
CC(C)(CO)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1	ZINC000084653633	562746971	/nfs/dbraw/zinc/74/69/71/562746971.db2.gz	RUMOYGYSWPCFLL-WVBUVRCRSA-N	0	1	616.596	3.656	1	30		KHEFMN
C#CCN(CCCOc1ccc(Br)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000084653955	562747099	/nfs/dbraw/zinc/74/70/99/562747099.db2.gz	CJIHYNGNTXEDMH-HSZRJFAPSA-N	0	1	505.363	3.611	1	30		KHEFMN
C#CCN(CCCOc1ccc(Br)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000084653956	562747129	/nfs/dbraw/zinc/74/71/29/562747129.db2.gz	CJIHYNGNTXEDMH-QHCPKHFHSA-N	0	1	505.363	3.611	1	30		KHEFMN
N[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)NCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000095539296	562754978	/nfs/dbraw/zinc/75/49/78/562754978.db2.gz	MKZSWGWAMNXCJS-AFFULRRLSA-N	0	1	738.579	3.886	1	30		KHEFMN
N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)NCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000095539297	562754970	/nfs/dbraw/zinc/75/49/70/562754970.db2.gz	MKZSWGWAMNXCJS-DIZFVTOESA-N	0	1	738.579	3.886	1	30		KHEFMN
C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1cccc2ccccc21	ZINC000095550230	562760035	/nfs/dbraw/zinc/76/00/35/562760035.db2.gz	SLZHOAGZSUACQP-HPSGNIKNSA-N	0	1	672.786	3.514	1	30		KHEFMN
N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)CN4CCOCC4)CC3)cc2C2=CCCCC2)n1	ZINC000095572567	562769463	/nfs/dbraw/zinc/76/94/63/562769463.db2.gz	YEEBLJFZYXYIOQ-UHFFFAOYSA-N	0	1	502.619	3.529	1	30		KHEFMN
N#CC(C(=O)NCc1cccc(OCCN2CCOCC2)c1)c1nc2ccccc2nc1N1CCCCCC1	ZINC000095581828	562772324	/nfs/dbraw/zinc/77/23/24/562772324.db2.gz	MXRPVMKZTXAMCE-RUZDIDTESA-N	0	1	528.657	3.645	1	30		KHEFMN
N#CC(C(=O)NCc1cccc(OCCN2CCOCC2)c1)c1nc2ccccc2nc1N1CCCCCC1	ZINC000095581829	562772332	/nfs/dbraw/zinc/77/23/32/562772332.db2.gz	MXRPVMKZTXAMCE-VWLOTQADSA-N	0	1	528.657	3.645	1	30		KHEFMN
Cn1nc(NC(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2ccccn12	ZINC000095582037	562772436	/nfs/dbraw/zinc/77/24/36/562772436.db2.gz	OZLFFPLKFGJQDT-UHFFFAOYSA-N	0	1	536.562	3.878	1	30		KHEFMN
N#CC(C(=O)NCc1ccc(OCCN2CCOCC2)cc1)c1nc2ccccc2nc1N1CCCCCC1	ZINC000095585237	562773520	/nfs/dbraw/zinc/77/35/20/562773520.db2.gz	GINJWPOZPGDUBB-RUZDIDTESA-N	0	1	528.657	3.645	1	30		KHEFMN
N#CC(C(=O)NCc1ccc(OCCN2CCOCC2)cc1)c1nc2ccccc2nc1N1CCCCCC1	ZINC000095585238	562773538	/nfs/dbraw/zinc/77/35/38/562773538.db2.gz	GINJWPOZPGDUBB-VWLOTQADSA-N	0	1	528.657	3.645	1	30		KHEFMN
CC(C)=CCc1c(O)cc2c(c1O)C(=O)C1=C[C@H]3C(=O)[C@]4(CC=C(C)C)OC[C@H]([C@H]3COC(C)=O)[C@]14O2	ZINC000095592783	562776034	/nfs/dbraw/zinc/77/60/34/562776034.db2.gz	FJYQZSOKEMDMHD-DROJVFFZSA-N	0	1	508.567	3.980	1	30		KHEFMN
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2ncnn2c1	ZINC000095594839	562776557	/nfs/dbraw/zinc/77/65/57/562776557.db2.gz	VVUAISPVTHIENZ-UHFFFAOYSA-N	0	1	533.558	3.851	1	30		KHEFMN
C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2cccnc2)Oc2cc(C#CC3CCCC3)ccc2S1(=O)=O	ZINC000095600260	562778751	/nfs/dbraw/zinc/77/87/51/562778751.db2.gz	ZBCMBIAINYMLJZ-BCQCSXDESA-N	0	1	511.688	3.524	1	30		KHEFMN
C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccnc2)Oc2cc(C#CC3CCCC3)ccc2S1(=O)=O	ZINC000095601719	562779737	/nfs/dbraw/zinc/77/97/37/562779737.db2.gz	ZBCMBIAINYMLJZ-VHSZZVNMSA-N	0	1	511.688	3.524	1	30		KHEFMN
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccnc2)Oc2cc(C#CC3CCCC3)ccc2S1(=O)=O	ZINC000095602331	562780005	/nfs/dbraw/zinc/78/00/05/562780005.db2.gz	ZBCMBIAINYMLJZ-LOYIFYEOSA-N	0	1	511.688	3.524	1	30		KHEFMN
CC(C)CC#Cc1ccc2c(c1)O[C@H](C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O	ZINC000095602687	562780143	/nfs/dbraw/zinc/78/01/43/562780143.db2.gz	RBCXQKUITVRWCX-OREGWCPLSA-N	0	1	542.698	3.683	1	30		KHEFMN
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=N\OCC#Cc2cnc3ccccc3c2)/C=C/C(C)=C/[C@H]1CO	ZINC000095606851	562782470	/nfs/dbraw/zinc/78/24/70/562782470.db2.gz	LDTMULCYEUYHNF-GNXPOMPLSA-N	0	1	777.956	3.806	1	30		KHEFMN
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=N\OCC#Cc2cnc3ccccc3c2)/C=C/C(C)=C/[C@@H]1CO	ZINC000095606852	562782452	/nfs/dbraw/zinc/78/24/52/562782452.db2.gz	LDTMULCYEUYHNF-IAIQYZIISA-N	0	1	777.956	3.806	1	30		KHEFMN
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=N/OC/C=C\c2ccc3nccnc3c2)/C=C/C(C)=C/[C@H]1CO	ZINC000095612960	562785941	/nfs/dbraw/zinc/78/59/41/562785941.db2.gz	ZKGBZTXOIWIUIM-CHKVJCBLSA-N	0	1	780.960	3.863	1	30		KHEFMN
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=N/OC/C=C\c2ccc3nccnc3c2)/C=C/C(C)=C/[C@@H]1CO	ZINC000095612961	562785935	/nfs/dbraw/zinc/78/59/35/562785935.db2.gz	ZKGBZTXOIWIUIM-SDSRHDIMSA-N	0	1	780.960	3.863	1	30		KHEFMN
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=N/OCC#Cc2cnc3ccccc3c2)/C=C/C(C)=C/[C@H]1CO	ZINC000095614304	562786528	/nfs/dbraw/zinc/78/65/28/562786528.db2.gz	LDTMULCYEUYHNF-UUHLLYNOSA-N	0	1	777.956	3.806	1	30		KHEFMN
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=N/OCC#Cc2cnc3ccccc3c2)/C=C/C(C)=C/[C@@H]1CO	ZINC000095614305	562786539	/nfs/dbraw/zinc/78/65/39/562786539.db2.gz	LDTMULCYEUYHNF-FSBWFATPSA-N	0	1	777.956	3.806	1	30		KHEFMN
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN2C(=O)c3ccccc3C2=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C	ZINC000095615367	562787251	/nfs/dbraw/zinc/78/72/51/562787251.db2.gz	JNPWHSCVBFOGTM-OUTYMMBLSA-N	0	1	712.881	3.527	1	30		KHEFMN
CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccc3c(c1)OCO3)[C@H](C)CN([C@H](C)CO)S2(=O)=O	ZINC000095663951	562788094	/nfs/dbraw/zinc/78/80/94/562788094.db2.gz	GHKTWESWTHQGHU-XJGOYTCSSA-N	0	1	542.698	3.714	1	30		KHEFMN
C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2cccnc2)Oc2cc(C#CC3CCCCC3)ccc2S1(=O)=O	ZINC000095701823	562788601	/nfs/dbraw/zinc/78/86/01/562788601.db2.gz	FCFVTRPHYRUVKL-LXWOLXCRSA-N	0	1	525.715	3.914	1	30		KHEFMN
C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2cccnc2)Oc2cc(C#CC3CCCCC3)ccc2S1(=O)=O	ZINC000095701826	562788606	/nfs/dbraw/zinc/78/86/06/562788606.db2.gz	FCFVTRPHYRUVKL-UXWDXCIHSA-N	0	1	525.715	3.914	1	30		KHEFMN
C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccnc2)Oc2cc(C#CC3CCCCC3)ccc2S1(=O)=O	ZINC000095701828	562788611	/nfs/dbraw/zinc/78/86/11/562788611.db2.gz	FCFVTRPHYRUVKL-IWHLBADBSA-N	0	1	525.715	3.914	1	30		KHEFMN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2cccnc2)Oc2cc(C#CC3CCCCC3)ccc2S1(=O)=O	ZINC000095701829	562788625	/nfs/dbraw/zinc/78/86/25/562788625.db2.gz	FCFVTRPHYRUVKL-SXDGJLEOSA-N	0	1	525.715	3.914	1	30		KHEFMN
C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccn2)Oc2cc(-c3ccc(C#N)cc3)ccc2S1(=O)=O	ZINC000095730286	562788708	/nfs/dbraw/zinc/78/87/08/562788708.db2.gz	JOUFKROXUSGCKL-NOMHHCBYSA-N	0	1	520.655	3.521	1	30		KHEFMN
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccn2)Oc2cc(-c3ccc(C#N)cc3)ccc2S1(=O)=O	ZINC000095730718	562788721	/nfs/dbraw/zinc/78/87/21/562788721.db2.gz	JOUFKROXUSGCKL-GNMOFYLKSA-N	0	1	520.655	3.521	1	30		KHEFMN
CCN1CC(=O)S/C1=[NH+]\c1ccc(N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4CC)CC2)c(F)c1	ZINC000096921853	562801550	/nfs/dbraw/zinc/80/15/50/562801550.db2.gz	AFVMSVAZPVMHST-IKPAITLHSA-N	0	1	555.607	3.907	1	30		KHEFMN
CC(C)Nc1ccc[nH+]c1N1CCN(C(=O)c2[nH]c3c(cccc3C(=O)CC(=O)C(=O)[O-])c2Br)CC1	ZINC000101655976	562811560	/nfs/dbraw/zinc/81/15/60/562811560.db2.gz	MNCUNDRXUNOOPU-UYRXBGFRSA-N	0	1	556.417	3.817	1	30		KHEFMN
CC(C)Nc1ccc[nH+]c1N1CCN(C(=O)c2[nH]c3ccc(C(=O)CC(=O)C(=O)[O-])cc3c2Br)CC1	ZINC000101658123	562811596	/nfs/dbraw/zinc/81/15/96/562811596.db2.gz	WWQPDKOPDTXXJA-MOSHPQCFSA-N	0	1	556.417	3.817	1	30		KHEFMN
CC(C)Nc1ccc[nH+]c1N1CCN(C(=O)c2[nH]c3ccc(C(=O)CC(=O)C(=O)[O-])cc3c2Cl)CC1	ZINC000101659411	562811594	/nfs/dbraw/zinc/81/15/94/562811594.db2.gz	NXQGTIHPVSQGNP-MOSHPQCFSA-N	0	1	511.966	3.708	1	30		KHEFMN
CC(C)Nc1ccc[nH+]c1N1CCN(C(=O)c2[nH]c3c(cccc3C(=O)CC(=O)C(=O)[O-])c2Cl)CC1	ZINC000101659416	562811610	/nfs/dbraw/zinc/81/16/10/562811610.db2.gz	KAELLOAQGLOCNL-UYRXBGFRSA-N	0	1	511.966	3.708	1	30		KHEFMN
COC(=O)COc1ccc(C=CC(=O)C=C(O)C=Cc2ccc(OCC(=O)OC)c(OC)c2)cc1OC	ZINC000102202620	562812922	/nfs/dbraw/zinc/81/29/22/562812922.db2.gz	LXBNYFILNHOWEE-OEHUVLJNSA-N	0	1	512.511	3.545	1	30		KHEFMN
COc1cc([C@@H]2CC(C(=NNc3ccc([N+](=O)[O-])cc3)C3=NN[C@H](c4ccc(O)c(OC)c4)C3)=NN2)ccc1O	ZINC000103291047	562824194	/nfs/dbraw/zinc/82/41/94/562824194.db2.gz	ODJJELUHBZQJJR-PMACEKPBSA-N	0	1	545.556	3.972	1	30		KHEFMN
COc1cc([C@H]2CC(C(=NNc3ccc([N+](=O)[O-])cc3)C3=NN[C@H](c4ccc(O)c(OC)c4)C3)=NN2)ccc1O	ZINC000103291050	562824183	/nfs/dbraw/zinc/82/41/83/562824183.db2.gz	ODJJELUHBZQJJR-BGYRXZFFSA-N	0	1	545.556	3.972	1	30		KHEFMN
COc1cc([C@H]2CC(C(=NNc3ccc([N+](=O)[O-])cc3)C3=NN[C@@H](c4ccc(O)c(OC)c4)C3)=NN2)ccc1O	ZINC000103291052	562824190	/nfs/dbraw/zinc/82/41/90/562824190.db2.gz	ODJJELUHBZQJJR-WOJBJXKFSA-N	0	1	545.556	3.972	1	30		KHEFMN
Cc1cccc(-c2[nH]c(CNc3cccc(C#N)c3CN3CCOCC3)nc2-c2ccc3ncnn3c2)n1	ZINC000113390939	562826443	/nfs/dbraw/zinc/82/64/43/562826443.db2.gz	VPODDVIXQZTAJG-UHFFFAOYSA-N	0	1	505.586	3.806	1	30		KHEFMN
Cc1cccc(-c2[nH]c(CNc3cc(C#N)cc(CN4CCOCC4)c3)nc2-c2ccc3ncnn3c2)n1	ZINC000113391211	562826477	/nfs/dbraw/zinc/82/64/77/562826477.db2.gz	LHYODZLDZIQFCQ-UHFFFAOYSA-N	0	1	505.586	3.806	1	30		KHEFMN
Cc1cccc(-c2[nH]c(CNc3cc(C#N)ccc3CN3CCOCC3)nc2-c2ccc3ncnn3c2)n1	ZINC000113392732	562826439	/nfs/dbraw/zinc/82/64/39/562826439.db2.gz	RARPNWVPJDMGQD-UHFFFAOYSA-N	0	1	505.586	3.806	1	30		KHEFMN
CCNC(=O)C#Cc1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1	ZINC000143730174	562835262	/nfs/dbraw/zinc/83/52/62/562835262.db2.gz	RVWWKXMUCMOEQG-FLWNBWAVSA-N	0	1	505.622	3.859	1	30		KHEFMN
CCc1ncnc(-c2ccc(C(=O)N3CCN(CC4CC4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1	ZINC000148257612	562840743	/nfs/dbraw/zinc/84/07/43/562840743.db2.gz	WEYIFXNBDAGOOV-UHFFFAOYSA-N	0	1	501.034	3.904	1	30		KHEFMN
CCc1ncnc(-c2ccc(C(=O)N3CCN(C4CCOCC4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1	ZINC000148344288	562841091	/nfs/dbraw/zinc/84/10/91/562841091.db2.gz	RTDGYXSFJCXDAM-UHFFFAOYSA-N	0	1	531.060	3.673	1	30		KHEFMN
CCc1ncnc(-c2ccc(C(=O)N3CCN(C4CCOCC4)CC3)c(F)c2)c1C#Cc1ccc(NC)nc1	ZINC000148390217	562841258	/nfs/dbraw/zinc/84/12/58/562841258.db2.gz	VILWDUYAELQAQU-UHFFFAOYSA-N	0	1	528.632	3.618	1	30		KHEFMN
CCc1ncnc(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1	ZINC000148581812	562841539	/nfs/dbraw/zinc/84/15/39/562841539.db2.gz	PHFYNYDCDZVJCY-UHFFFAOYSA-N	0	1	510.642	3.792	1	30		KHEFMN
N#Cc1cc(NCC(=O)NC2CN([C@H]3CC[C@H](n4ccccc4=O)CC3)C2)c2cc(C(F)(F)F)ccc2n1	ZINC000149182875	562842422	/nfs/dbraw/zinc/84/24/22/562842422.db2.gz	XZJOLJYHGWTITC-OYRHEFFESA-N	0	1	524.547	3.683	1	30		KHEFMN
N#CCCCOc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149219791	562842501	/nfs/dbraw/zinc/84/25/01/562842501.db2.gz	RGHWQSMOWWEXGJ-UHFFFAOYSA-N	0	1	546.603	3.982	1	30		KHEFMN
Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1nc2c([nH]1)CN(S(C)(=O)=O)CC2	ZINC000150260090	562843027	/nfs/dbraw/zinc/84/30/27/562843027.db2.gz	SOGXIMPQFSONLO-UHFFFAOYSA-N	0	1	503.628	3.594	1	30		KHEFMN
Cc1cc(C)c(-c2nc3c([nH]2)CN(S(=O)(=O)N(C)C)CC3)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1	ZINC000150317503	562843088	/nfs/dbraw/zinc/84/30/88/562843088.db2.gz	BZZYFDQPZIAHFH-UHFFFAOYSA-N	0	1	546.697	3.750	1	30		KHEFMN
COC1=C(Br)[C@@H](O)[C@]2(C=C1Br)CC(C(=O)NCCCOc1c(Br)cc(C/C(=N/[O-])C(=O)NCCc3c[nH]c(N)[nH+]3)cc1Br)=NO2	ZINC000150574177	562845197	/nfs/dbraw/zinc/84/51/97/562845197.db2.gz	FFJLRVBPVWKFTA-BAPZPQAKSA-N	0	1	883.187	3.555	1	30		KHEFMN
COc1ccccc1C(=O)CN1C(=O)/C(C)=C/CC[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@@H](O)[C@@H](OC)C[C@H](C)C=C2C(=O)C1=CC(O)=C2N	ZINC000150581123	562845466	/nfs/dbraw/zinc/84/54/66/562845466.db2.gz	LVJLFVDTXXDIDI-IWUGBGRXSA-N	0	1	695.810	3.549	1	30		KHEFMN
CO[C@H]1[C@H](OC(C)=O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](OC(=O)c2ccccc2)[C@H](N(C)C)[C@H]1O	ZINC000169309228	562854314	/nfs/dbraw/zinc/85/43/14/562854314.db2.gz	SRHVOHSJCFOQCV-IUZKLFKCSA-N	0	1	745.863	3.581	1	30		KHEFMN
COc1ccc(C(=O)O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@@H]3OC)[C@H](O)[C@H]2N(C)C)cc1	ZINC000169309235	562854306	/nfs/dbraw/zinc/85/43/06/562854306.db2.gz	WQHMITIYPFZKJJ-PRYGRWQSSA-N	0	1	775.889	3.589	1	30		KHEFMN
CO[C@H]1[C@H](OC(C)=O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](N(C)C)[C@H]1O	ZINC000169309245	562854300	/nfs/dbraw/zinc/85/43/00/562854300.db2.gz	BMEIVFZSAYKBTN-BUYTYOHJSA-N	0	1	771.901	3.980	1	30		KHEFMN
CO[C@H]1[C@H](OC(C)=O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](OC(=O)CCc2ccccc2)[C@H](N(C)C)[C@H]1O	ZINC000169309261	562854310	/nfs/dbraw/zinc/85/43/10/562854310.db2.gz	AIJNHLIXLLPUOK-GCOOTZGPSA-N	0	1	773.917	3.900	1	30		KHEFMN
CC=CC=CC(=O)C1C(=O)C(C)=C([O-])[C@@]2(C)O[C@]3(O)[C@@](C)(C(=O)C(C(=O)[C@@H]4[C@@H](/C=C/C)[C@]5(C)C(=O)C(C(=O)C=CC=CC)[C@H]4[C@@](C)(O)C5=O)=C(N)[C@]3(C)O)[C@@H]12	ZINC000169312514	562855337	/nfs/dbraw/zinc/85/53/37/562855337.db2.gz	WWXHLJLJRIIWQN-NSANNSTHSA-N	0	1	759.849	3.853	1	30		KHEFMN
CC=CC=CC(=O)C1C(=O)C(C)=C([O-])[C@@]2(C)O[C@]3(O)[C@@](C)(C(=O)C(C(=O)[C@@H]4[C@@H](/C=C/C)[C@]5(C)C(=O)C(C(=O)C=CC=CC)[C@H]4[C@](C)(O)C5=O)=C(N)[C@]3(C)O)[C@@H]12	ZINC000169312518	562855333	/nfs/dbraw/zinc/85/53/33/562855333.db2.gz	WWXHLJLJRIIWQN-YDZGOWINSA-N	0	1	759.849	3.853	1	30		KHEFMN
CC(C)C[C@H](C(=O)NO)N1CC[C@@](N)(c2ccc(OCc3cc(C4CC4)nc4ccccc34)cc2)C1=O	ZINC000169329932	562858610	/nfs/dbraw/zinc/85/86/10/562858610.db2.gz	VPXJHBKMUDKJGJ-GGXMVOPNSA-N	0	1	502.615	3.998	1	30		KHEFMN
C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(NC(=O)CN)c2)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O	ZINC000169353250	562863418	/nfs/dbraw/zinc/86/34/18/562863418.db2.gz	PCFBYIIJEPQVPN-RFJJOMHKSA-N	0	1	543.730	3.977	1	30		KHEFMN
C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(NC(=O)CNCCO)c2)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O	ZINC000169353270	562863394	/nfs/dbraw/zinc/86/33/94/562863394.db2.gz	DUEXXGKIXSPADD-HINAHUHVSA-N	0	1	587.783	3.601	1	30		KHEFMN
N#Cc1cnc(C(=O)Oc2ccc(C3CCN(C(=O)CC[NH+]4CCOCC4)CC3)cc2C2=CCCCC2)[n-]1	ZINC000169701491	562868044	/nfs/dbraw/zinc/86/80/44/562868044.db2.gz	XVNSGZNKFBKEAK-UHFFFAOYSA-N	0	1	517.630	3.886	1	30		KHEFMN
Cc1nccc(-c2ccc(C(=O)N3CCN(C4CCOCC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1C	ZINC000202385562	562873773	/nfs/dbraw/zinc/87/37/73/562873773.db2.gz	VMOXQQNYXGLJDR-UHFFFAOYSA-N	0	1	513.617	3.818	1	30		KHEFMN
CN(C)CC#Cc1c(N)nccc1Oc1ccc(-n2cc(C(=O)NCc3ccc(F)cc3)ccc2=O)cc1F	ZINC000205984071	562876074	/nfs/dbraw/zinc/87/60/74/562876074.db2.gz	PRYSLJCRIVHTSF-UHFFFAOYSA-N	0	1	529.547	3.728	1	30		KHEFMN
COc1cc(=O)n(-c2ccc(Oc3ccnc(N)c3C#CCN(C)C)c(F)c2)cc1C(=O)NCc1ccc(F)cc1	ZINC000206003076	562876147	/nfs/dbraw/zinc/87/61/47/562876147.db2.gz	NNDJORBAJIYJFT-UHFFFAOYSA-N	0	1	559.573	3.737	1	30		KHEFMN
N#CC1(COc2ccc3ncc(F)c(CCC45CCC(NCc6ccc7c(n6)NC(=O)CO7)(CC4)CO5)c3n2)CC1	ZINC000206106454	562876239	/nfs/dbraw/zinc/87/62/39/562876239.db2.gz	HGPBSZHFLNTGOF-UHFFFAOYSA-N	0	1	558.614	3.982	1	30		KHEFMN
C[C@H](O)C#Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cnc1-c1ccc(S(=O)(=O)c2ccc(N)nc2)cc1	ZINC000213580243	562877235	/nfs/dbraw/zinc/87/72/35/562877235.db2.gz	BXXBQXYOMZHUMV-ZDUSSCGKSA-N	0	1	545.461	3.603	1	30		KHEFMN
C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)NN5CCN(C6CCCC6)CC5)cn(C)c43)C[C@@H]2N1C(=O)NCc1ccccc1	ZINC000217552318	562877592	/nfs/dbraw/zinc/87/75/92/562877592.db2.gz	DMNKTIQUDQHBLV-YDAXCOIMSA-N	0	1	787.966	3.826	1	30		KHEFMN
CN(CC#Cc1ccc2c(c1)CCn1c(=O)nc(OC[C@@H]3COc4ncccc4O3)cc1-2)Cc1ccccc1	ZINC000220158465	562878388	/nfs/dbraw/zinc/87/83/88/562878388.db2.gz	JTTQFOZCYZASLG-RUZDIDTESA-N	0	1	520.589	3.564	1	30		KHEFMN
CN(CC#Cc1ccc2c(c1)CCn1c(=O)nc(OC[C@H]3COc4ncccc4O3)cc1-2)Cc1ccccc1	ZINC000220158539	562878375	/nfs/dbraw/zinc/87/83/75/562878375.db2.gz	JTTQFOZCYZASLG-VWLOTQADSA-N	0	1	520.589	3.564	1	30		KHEFMN
N#C[C@H]1C[C@@H](N2CCC[C@@H]2CF)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1	ZINC000221264692	562878954	/nfs/dbraw/zinc/87/89/54/562878954.db2.gz	KIVVSBAZIGIVPH-ASKNOMKYSA-N	0	1	542.559	3.686	1	30		KHEFMN
N#C[C@H]1C[C@H](N2CCC[C@@H]2CF)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1	ZINC000221264810	562878916	/nfs/dbraw/zinc/87/89/16/562878916.db2.gz	KIVVSBAZIGIVPH-OYRIPWCXSA-N	0	1	542.559	3.686	1	30		KHEFMN
C=CCOc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000221850881	562879325	/nfs/dbraw/zinc/87/93/25/562879325.db2.gz	UOTDABQSENKCSO-UHFFFAOYSA-N	0	1	519.577	3.864	1	30		KHEFMN
N#C[C@H]1C[C@@H](N2CCC[C@H]2CF)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1	ZINC000222976245	562879994	/nfs/dbraw/zinc/87/99/94/562879994.db2.gz	KIVVSBAZIGIVPH-FKKBTLCVSA-N	0	1	542.559	3.686	1	30		KHEFMN
N#C[C@H]1C[C@H](N2CCC[C@H]2CF)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1	ZINC000222976315	562880004	/nfs/dbraw/zinc/88/00/04/562880004.db2.gz	KIVVSBAZIGIVPH-PYQAKABTSA-N	0	1	542.559	3.686	1	30		KHEFMN
Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3-c3ccccc3F)CC2)cn1	ZINC000299826482	562883857	/nfs/dbraw/zinc/88/38/57/562883857.db2.gz	GPBYNXURULUSCD-UHFFFAOYSA-N	0	1	579.498	3.688	1	30		KHEFMN
C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6cn[nH]c6[C@@](C)(COC(C)=O)[C@@H]5CC[C@]43C)[C@@H]12	ZINC000299830267	562885199	/nfs/dbraw/zinc/88/51/99/562885199.db2.gz	XXZUOMIKRQKSCL-FDAVXMIHSA-N	0	1	698.898	3.967	1	30		KHEFMN
Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3-c3cccc(F)c3)CC2)cn1	ZINC000299830514	562885294	/nfs/dbraw/zinc/88/52/94/562885294.db2.gz	WIKMNRFTFYWDSY-UHFFFAOYSA-N	0	1	579.498	3.688	1	30		KHEFMN
Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3-c3ccc(F)cc3)CC2)cn1	ZINC000299835858	562886961	/nfs/dbraw/zinc/88/69/61/562886961.db2.gz	YTKYNGHWYRRABN-UHFFFAOYSA-N	0	1	579.498	3.688	1	30		KHEFMN
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(Br)cc(Br)c1OCC#CCN1CCN(CCO)CC1	ZINC000299838559	562887880	/nfs/dbraw/zinc/88/78/80/562887880.db2.gz	VGTGEVMCDPTOEH-UHFFFAOYSA-N	0	1	683.438	3.565	1	30		KHEFMN
CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c(O)c3C)C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](OC=O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O	ZINC000299844172	562889186	/nfs/dbraw/zinc/88/91/86/562889186.db2.gz	HWEBHJHXHLVOBR-HSQODCKESA-N	0	1	723.772	3.811	1	30		KHEFMN
CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c(O)c3C)C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](OC=O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C2=O	ZINC000299844173	562889148	/nfs/dbraw/zinc/88/91/48/562889148.db2.gz	HWEBHJHXHLVOBR-NHFVRERNSA-N	0	1	723.772	3.811	1	30		KHEFMN
CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c(O)c3C)C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](OC=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C2=O	ZINC000299844174	562889142	/nfs/dbraw/zinc/88/91/42/562889142.db2.gz	HWEBHJHXHLVOBR-PINLWESSSA-N	0	1	723.772	3.811	1	30		KHEFMN
CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c(O)c3C)C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](OC=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C2=O	ZINC000299844175	562889160	/nfs/dbraw/zinc/88/91/60/562889160.db2.gz	HWEBHJHXHLVOBR-YXMPQCAISA-N	0	1	723.772	3.811	1	30		KHEFMN
CCn1nc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2O)c2c1ncnc2N	ZINC000299851104	562890696	/nfs/dbraw/zinc/89/06/96/562890696.db2.gz	FHELRYVFGKYWGY-UHFFFAOYSA-N	0	1	578.599	3.552	1	30		KHEFMN
COCn1nc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2C)c2c1ncnc2N	ZINC000299851599	562890755	/nfs/dbraw/zinc/89/07/55/562890755.db2.gz	HBWMVDXHJKMGOX-UHFFFAOYSA-N	0	1	592.626	3.739	1	30		KHEFMN
CCn1nc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2F)c2c1ncnc2N	ZINC000299851601	562890769	/nfs/dbraw/zinc/89/07/69/562890769.db2.gz	HCEOQMBQPKLHDV-UHFFFAOYSA-N	0	1	580.590	3.986	1	30		KHEFMN
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1C#Cc1nn(C(C)C)c2ncnc(N)c12	ZINC000299851664	562890765	/nfs/dbraw/zinc/89/07/65/562890765.db2.gz	ICPGJSFGSFYQOD-UHFFFAOYSA-N	0	1	522.657	3.697	1	30		KHEFMN
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1nn(C)c2ncnc(N)c12	ZINC000299851773	562890808	/nfs/dbraw/zinc/89/08/08/562890808.db2.gz	JPOSZHLAYKQNKX-UHFFFAOYSA-N	0	1	562.600	3.672	1	30		KHEFMN
CCn1nc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2OC)c2c1ncnc2N	ZINC000299851840	562890816	/nfs/dbraw/zinc/89/08/16/562890816.db2.gz	KORRLYCJORHYLB-UHFFFAOYSA-N	0	1	592.626	3.855	1	30		KHEFMN
CCn1nc(C#Cc2cccc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c2)c2c1ncnc2N	ZINC000299852033	562890837	/nfs/dbraw/zinc/89/08/37/562890837.db2.gz	MGTVBXUURBPCIL-UHFFFAOYSA-N	0	1	562.600	3.847	1	30		KHEFMN
O=C1[C@H]2[C@@H](C(=O)N1CC#CCN1CCN(Cc3ccccc3)CC1)C1c3ccccc3C2c2ccccc21	ZINC000299869330	562895310	/nfs/dbraw/zinc/89/53/10/562895310.db2.gz	UKQAPERHTNFDOD-UDPYREPESA-N	0	1	501.630	3.700	1	30		KHEFMN
CC(C)[C@@H](N)C(=O)OCn1ccc(=NC(=NCCCCCCOc2ccc(Cl)cc2)NC#N)cc1	ZINC000377769382	562895934	/nfs/dbraw/zinc/89/59/34/562895934.db2.gz	XGZUCQRFCMOVOG-HSZRJFAPSA-N	0	1	501.031	3.592	1	30		KHEFMN
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000473106898	562898263	/nfs/dbraw/zinc/89/82/63/562898263.db2.gz	ZASPFNTXFLESNS-PLZPTFKGSA-N	0	1	700.608	3.531	1	30		KHEFMN
CCOC(=O)[C@H](Cc1ccccc1)NP(=O)(CCN(CCCC#N)CCn1cnc2c1nc[nH]c2=O)N[C@@H](Cc1ccccc1)C(=O)OCC	ZINC000473111404	562898566	/nfs/dbraw/zinc/89/85/66/562898566.db2.gz	ZFSPBAZNYMLHLD-KYJUHHDHSA-N	0	1	704.769	3.859	1	30		KHEFMN
CC(C)(O)C#Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cnc1-c1ccc(S(=O)(=O)c2ccc(N)nc2)cc1	ZINC000473136416	562901045	/nfs/dbraw/zinc/90/10/45/562901045.db2.gz	RCCQDYKCTOZGFC-UHFFFAOYSA-N	0	1	559.488	3.824	1	30		KHEFMN
N#Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cnc1-c1ccc(S(=O)(=O)c2ccc(N)nc2)cc1	ZINC000473136914	562901122	/nfs/dbraw/zinc/90/11/22/562901122.db2.gz	VBDHWHUISVHCNK-UHFFFAOYSA-N	0	1	502.396	3.573	1	30		KHEFMN
CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN[C@@H]1Cc1ccc(C(N)=NC(=O)OCC)cc1)c1ccccn1	ZINC000473155293	562902446	/nfs/dbraw/zinc/90/24/46/562902446.db2.gz	RJIBMRXQMUWBQX-RUZDIDTESA-N	0	1	597.676	3.780	1	30		KHEFMN
CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN[C@H]1Cc1ccc(C(N)=NC(=O)OCC)cc1)c1ccccn1	ZINC000473155294	562902417	/nfs/dbraw/zinc/90/24/17/562902417.db2.gz	RJIBMRXQMUWBQX-VWLOTQADSA-N	0	1	597.676	3.780	1	30		KHEFMN
COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H](C)c2ccc(C#N)cc2)ccc1OCCn1c(=O)ccn(C)c1=O	ZINC000473228757	562904293	/nfs/dbraw/zinc/90/42/93/562904293.db2.gz	FCZONBAHWXBKKR-DPPGTGKWSA-N	0	1	574.678	3.960	1	30		KHEFMN
COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H](C)c2ccc(C#N)cc2)ccc1OCCn1c(=O)ccn(C)c1=O	ZINC000473228758	562904263	/nfs/dbraw/zinc/90/42/63/562904263.db2.gz	FCZONBAHWXBKKR-LSCGWGKXSA-N	0	1	574.678	3.960	1	30		KHEFMN
COc1ncc(-c2ccc3nccc(C#CC[N@@H+](C)CCO)c3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000653697102	562907075	/nfs/dbraw/zinc/90/70/75/562907075.db2.gz	MQFMOGXEFVZESV-UHFFFAOYSA-N	0	1	538.576	3.660	1	30		KHEFMN
C[C@H](NC(=O)c1n[nH]c2cc(NCc3cccc(NC(=O)c4cccc(C(C)(C)C#N)c4)c3)ccc21)C(N)=O	ZINC000653792858	562912750	/nfs/dbraw/zinc/91/27/50/562912750.db2.gz	DOXFQKLZNROAKD-KRWDZBQOSA-N	0	1	523.597	3.832	1	30		KHEFMN
N#Cc1c(=O)[nH]c(NNc2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)nc1-c1ccc(Cl)cc1	ZINC000653836222	562914712	/nfs/dbraw/zinc/91/47/12/562914712.db2.gz	LMGMXCLHNHQWFQ-UHFFFAOYSA-N	0	1	514.980	3.661	1	30		KHEFMN
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](OCc1cn(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])nn1)c1ccnc2ccc(OC)cc21	ZINC000653865375	562916181	/nfs/dbraw/zinc/91/61/81/562916181.db2.gz	XFVIGNOOIJCYQF-MMEBQRNWSA-N	0	1	576.698	3.605	1	30		KHEFMN
C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccn2)Oc2cc(-c3ccc(C#N)cc3)ccc2S1(=O)=O	ZINC000061922555	562703327	/nfs/dbraw/zinc/70/33/27/562703327.db2.gz	JOUFKROXUSGCKL-PBDKAQRYSA-N	0	1	520.655	3.521	3	30		KHEFMN
C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccnc2)Oc2cc(C#CC3CCCCC3)ccc2S1(=O)=O	ZINC000061922749	562703388	/nfs/dbraw/zinc/70/33/88/562703388.db2.gz	FCFVTRPHYRUVKL-AWVRMFGXSA-N	0	1	525.715	3.914	3	30		KHEFMN
C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(F)cc2)Oc2cc(C#Cc3ccccn3)ccc2S1(=O)=O	ZINC000095570047	562767877	/nfs/dbraw/zinc/76/78/77/562767877.db2.gz	KFPKDLSTSMOJCR-VPYPWEPUSA-N	0	1	537.657	3.521	3	30		KHEFMN