smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NCc1ccc(Cl)cc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O	ZINC000001491960	561676378	/nfs/dbraw/zinc/67/63/78/561676378.db2.gz	WJVLTXKAUHPMNM-UHFFFAOYSA-N	0	3	513.332	2.163	1	0		KEAFHN
CC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)[N-]S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CC1	ZINC000003834121	561683748	/nfs/dbraw/zinc/68/37/48/561683748.db2.gz	NSQCDLQXFJKPMZ-YZIHRLCOSA-N	0	3	502.681	2.455	1	0		KEAFHN
NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000003915258	561684714	/nfs/dbraw/zinc/68/47/14/561684714.db2.gz	CBXFHPCTSWVLQQ-DSRFHYBVSA-N	0	3	728.850	2.272	1	0		KEAFHN
CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(C)(C)N	ZINC000003935756	561688486	/nfs/dbraw/zinc/68/84/86/561688486.db2.gz	ICWPMXDQQGBJQA-FRXPANAUSA-N	0	3	625.774	2.213	1	0		KEAFHN
CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)(C)N	ZINC000003935756	561688484	/nfs/dbraw/zinc/68/84/84/561688484.db2.gz	ICWPMXDQQGBJQA-FRXPANAUSA-N	0	3	625.774	2.213	1	0		KEAFHN
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)N1CCC([C@H](C)NC(=O)[C@H](C)N)=C[C@@H](Cc2ccccc2)C1)C(C)C)C(C)C	ZINC000003942377	561689462	/nfs/dbraw/zinc/68/94/62/561689462.db2.gz	AAROLUGLGDXGEZ-CFILSVQKSA-N	0	3	585.790	2.172	1	0	in-vitro	KEAFHN
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000003973626	561691787	/nfs/dbraw/zinc/69/17/87/561691787.db2.gz	RKLMJYJBGYXOFV-ZBBOUCKSSA-N	0	3	624.742	2.065	1	0		KEAFHN
CS(=O)(=O)[N-][C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=[NH2+])s1)C(c1ccccc1)c1ccccc1	ZINC000003976736	561692006	/nfs/dbraw/zinc/69/20/06/561692006.db2.gz	CRPPBRFZGAUWJM-XUZZJYLKSA-N	0	3	553.710	2.389	1	0		KEAFHN
CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C)C(=O)N1CC[C@@H]2Oc3ccc(c(O)c3)/C=C\NC(=O)[C@@H]3CCCN3C(=O)[C@H]21	ZINC000004098504	560195801	/nfs/dbraw/zinc/19/58/01/560195801.db2.gz	BRUITOXHBSVJME-IIMYRAIISA-N	0	3	597.757	2.339	1	0	in-vitro	KEAFHN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)NCCN(C)C)[C@H]3C(=O)OC[C@@H]32)OCO4)cc(OC)c1O	ZINC000006716965	561702968	/nfs/dbraw/zinc/70/29/68/561702968.db2.gz	XBKQXRUYPVPAMF-DCHFCWSPSA-N	0	3	514.531	2.402	1	0		KEAFHN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)NCCN(C)C)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000006716966	561702940	/nfs/dbraw/zinc/70/29/40/561702940.db2.gz	WXSVCTCWUBXPAW-JNTAVDMJSA-N	0	3	514.531	2.402	1	0		KEAFHN
CN1C[C@@H](C(=O)N[C@]2(C)O[C@]3(O)[C@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@@H]21	ZINC000008035129	561704250	/nfs/dbraw/zinc/70/42/50/561704250.db2.gz	LUZRJRNZXALNLM-AHGHVLCBSA-N	0	3	583.689	2.081	1	0		KEAFHN
CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@H]4CCCN4C(=O)[C@@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@@H]21	ZINC000008035534	561704492	/nfs/dbraw/zinc/70/44/92/561704492.db2.gz	LUZRJRNZXALNLM-LIOBXQQOSA-N	0	3	583.689	2.081	1	0		KEAFHN
CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@@H]21	ZINC000008036002	561705008	/nfs/dbraw/zinc/70/50/08/561705008.db2.gz	LUZRJRNZXALNLM-WHVWHDPISA-N	0	3	583.689	2.081	1	0		KEAFHN
CNC(=O)[C@@H]1C[C@H](N)[C@H](n2cnc3c2nc(Cl)nc3NCc2cccc(I)c2)O1	ZINC000012405876	561710762	/nfs/dbraw/zinc/71/07/62/561710762.db2.gz	BJVZKVDNIYWWSB-NVGCLXPQSA-N	0	3	527.754	2.057	1	0		KEAFHN
NC(=O)Cn1c(CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)cc2cnccc21	ZINC000013493285	561716620	/nfs/dbraw/zinc/71/66/20/561716620.db2.gz	UVJOUYXWFNHFIO-UHFFFAOYSA-N	0	3	518.020	2.423	1	0		KEAFHN
CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(C)=O	ZINC000013493969	561716657	/nfs/dbraw/zinc/71/66/57/561716657.db2.gz	KIOKYWNVHYEPOP-JWQCQUIFSA-N	0	3	502.619	2.496	1	0		KEAFHN
O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCOCCOc2ccccc2CN1	ZINC000013537341	561718035	/nfs/dbraw/zinc/71/80/35/561718035.db2.gz	AVJHADKKBIXATH-NRFANRHFSA-N	0	3	512.010	2.235	1	0		KEAFHN
O=C(CCN1CCC(O)CC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN3CCC(O)CC3)ccc1-2	ZINC000013557235	561718889	/nfs/dbraw/zinc/71/88/89/561718889.db2.gz	NWMPOQQXQBDYEU-UHFFFAOYSA-N	0	3	520.630	2.469	1	0		KEAFHN
COc1ccccc1N1CCN(CCCCn2nc(N3CCN(C(=O)c4ccco4)CC3)ccc2=O)CC1	ZINC000013558463	561719340	/nfs/dbraw/zinc/71/93/40/561719340.db2.gz	CSYPSGRDQKEPHI-UHFFFAOYSA-N	0	3	520.634	2.410	1	0		KEAFHN
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CS(=O)(=O)c3ccccc32)CC1	ZINC000013687582	561724884	/nfs/dbraw/zinc/72/48/84/561724884.db2.gz	BDOOTOZOBIQTOH-JOCHJYFZSA-N	0	3	508.644	2.280	1	0		KEAFHN
CCN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@]2(Cc2ccccc2)C1=O	ZINC000013687652	561724905	/nfs/dbraw/zinc/72/49/05/561724905.db2.gz	UBEBVVBBTDUZKB-BTYSJIOQSA-N	0	3	519.646	2.105	1	0		KEAFHN
CS(=O)(=O)Nc1ccc(CCN2CCC3(CC2)CC(=O)c2cc(NS(C)(=O)=O)ccc2O3)cc1	ZINC000013728491	561725159	/nfs/dbraw/zinc/72/51/59/561725159.db2.gz	SBEXAKLNNFRGOH-UHFFFAOYSA-N	0	3	507.634	2.472	1	0		KEAFHN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C2	ZINC000013734632	561725566	/nfs/dbraw/zinc/72/55/66/561725566.db2.gz	HUBWQAUQKKUZCD-WIIJNUNGSA-N	0	3	530.735	2.200	1	0		KEAFHN
CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1)S(=O)(=O)c1ccc(N)cc1	ZINC000014943175	561741078	/nfs/dbraw/zinc/74/10/78/561741078.db2.gz	ZYGJIVAYVQHQAD-ZXYZSCNASA-N	0	3	631.840	2.425	1	0		KEAFHN
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@H](c1nc2ccccc2[nH]1)c1ccccc1	ZINC000014943223	561741148	/nfs/dbraw/zinc/74/11/48/561741148.db2.gz	YBGCMTJQLKVFHV-PWYGJFRWSA-N	0	3	570.694	2.489	1	0		KEAFHN
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@@H](c1nc2ccccc2[nH]1)c1ccccc1	ZINC000014943224	561741179	/nfs/dbraw/zinc/74/11/79/561741179.db2.gz	YBGCMTJQLKVFHV-JGPNGPNASA-N	0	3	570.694	2.489	1	0		KEAFHN
CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O	ZINC000014945942	561743476	/nfs/dbraw/zinc/74/34/76/561743476.db2.gz	IZXMGPHRTJQLGQ-FWEHEUNISA-N	0	3	610.553	2.373	1	0		KEAFHN
COc1ccc(S(=O)(=O)NC[C@@H](O)[C@H](Cc2ccccc2)NCc2cc(Cl)ccc2-n2cnnn2)cc1	ZINC000014950197	561745463	/nfs/dbraw/zinc/74/54/63/561745463.db2.gz	YDLJMVKRFGITPS-UKILVPOCSA-N	0	3	543.049	2.365	1	0		KEAFHN
CN1C[C@H](C(=O)N[C@@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21	ZINC000017611690	561757066	/nfs/dbraw/zinc/75/70/66/561757066.db2.gz	LUZRJRNZXALNLM-ODNLFQIASA-N	0	3	583.689	2.081	1	0		KEAFHN
CN1C[C@H](C(=O)N[C@@]2(C)O[C@@]3(O)[C@H]4CCCN4C(=O)[C@@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21	ZINC000017611692	561757086	/nfs/dbraw/zinc/75/70/86/561757086.db2.gz	LUZRJRNZXALNLM-MLTMJROCSA-N	0	3	583.689	2.081	1	0		KEAFHN
COc1cc([C@H]2c3cc4c(cc3[C@@H](NCCN3CCOCC3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000022039895	561759005	/nfs/dbraw/zinc/75/90/05/561759005.db2.gz	XJELDDZCOWMPQO-XELASAAXSA-N	0	3	512.559	2.036	1	0		KEAFHN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCCN3CCOCC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000022450118	561759261	/nfs/dbraw/zinc/75/92/61/561759261.db2.gz	XJELDDZCOWMPQO-LVEBQJTPSA-N	0	3	512.559	2.036	1	0		KEAFHN
CN(C)CCN([C@@H](CC(=O)[O-])C(=O)N1CCCC[C@@H]1CCOC1CCN(C(N)=[NH2+])CC1)C1CCCCC1	ZINC000022925822	561759689	/nfs/dbraw/zinc/75/96/89/561759689.db2.gz	PSLPAJLOVQIPSO-VWNXMTODSA-N	0	3	522.735	2.172	1	0		KEAFHN
CN1CCN(CCC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CCN4CCN(C)CC4)ccc2-3)CC1	ZINC000022931044	561760303	/nfs/dbraw/zinc/76/03/03/561760303.db2.gz	VKCLRUBTVNOXDS-UHFFFAOYSA-N	0	3	518.662	2.050	1	0		KEAFHN
CC(C)CN1CCN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCS(=O)(=O)[C@@H]2C(C)C)[C@H](C(=O)NC(C)(C)C)C1	ZINC000023357719	561761560	/nfs/dbraw/zinc/76/15/60/561761560.db2.gz	MKOFHUCSPZPDFD-UZSVIBPSSA-N	0	3	608.846	2.453	1	0		KEAFHN
NC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CNC[C@@H]2N(Cc2ccccc2)S(=O)(=O)c2ccc(C(N)=O)cc2)cc1	ZINC000024903340	561762583	/nfs/dbraw/zinc/76/25/83/561762583.db2.gz	SSQKDDJMCKLBOH-KYJUHHDHSA-N	0	3	647.779	2.307	1	0	in-vitro	KEAFHN
CS(=O)(=O)[N-][C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C[NH3+])c(N)c1)C(c1ccccc1)c1ccccc1	ZINC000025971702	561763274	/nfs/dbraw/zinc/76/32/74/561763274.db2.gz	WAFBSFYQSVKSCU-AHKZPQOWSA-N	0	3	549.697	2.085	1	0		KEAFHN
CS(=O)(=O)[N-][C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=[NH2+])cc1)C(c1ccccc1)c1ccccc1	ZINC000025975374	561763563	/nfs/dbraw/zinc/76/35/63/561763563.db2.gz	SJIGBLXECWIEFM-AZGAKELHSA-N	0	3	547.681	2.328	1	0		KEAFHN
CCC[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)N1CC[C@@H](NC[C@H](CC2CCCCC2)NC(=O)OCC)C1=O	ZINC000026182556	561771988	/nfs/dbraw/zinc/77/19/88/561771988.db2.gz	LGPYNDHNOAEYIW-BJESRGMDSA-N	0	3	523.719	2.447	1	0		KEAFHN
CCC[C@H](NC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000026187398	561772857	/nfs/dbraw/zinc/77/28/57/561772857.db2.gz	GWTNMETZOMWHKD-NEWJYFPISA-N	0	3	533.714	2.259	1	0		KEAFHN
CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)[C@@H](C)OCc1ccccc1	ZINC000026271271	561777376	/nfs/dbraw/zinc/77/73/76/561777376.db2.gz	ZDNREZGMVZVUEL-XBTMSFKCSA-N	0	3	605.802	2.009	1	0		KEAFHN
CS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N(CCCCN1CCC(n3c4ccccc4oc3=O)CC1)C2=O	ZINC000026487334	561792649	/nfs/dbraw/zinc/79/26/49/561792649.db2.gz	PKNHRPIRHMNNHQ-UHFFFAOYSA-N	0	3	533.628	2.260	1	0		KEAFHN
CN(C)CCc1c2cc(CCN3C(=O)NC(C)(C)C3=O)ccc2[nH]c1C(=O)NCc1ccc(NS(C)(=O)=O)cc1	ZINC000026566336	561797087	/nfs/dbraw/zinc/79/70/87/561797087.db2.gz	IIGZREQJAGKWHZ-UHFFFAOYSA-N	0	3	568.700	2.446	1	0		KEAFHN
CC(C)CNC(=O)[C@H](Cc1ccccc1)NC[C@@H](O)[C@H]1Cc2ccc(cc2)OCCCC(=O)N[C@@H](C(C)C)C(=O)N1	ZINC000026566619	561797078	/nfs/dbraw/zinc/79/70/78/561797078.db2.gz	CKOOSQJKCNFBBZ-UONLKORASA-N	0	3	566.743	2.361	1	0		KEAFHN
CC(C)CNC(=O)[C@H](Cc1ccccc1)NC[C@H](O)[C@H]1Cc2ccc(cc2)OCCCC(=O)N[C@@H](C(C)C)C(=O)N1	ZINC000026566623	561797076	/nfs/dbraw/zinc/79/70/76/561797076.db2.gz	CKOOSQJKCNFBBZ-KGVZJERPSA-N	0	3	566.743	2.361	1	0		KEAFHN
CC(C)NC(=O)[C@H](Cc1ccccc1)NC[C@@H](O)[C@H]1Cc2ccc(cc2)OCCCC(=O)N[C@@H](C(C)C)C(=O)N1	ZINC000026566627	561797073	/nfs/dbraw/zinc/79/70/73/561797073.db2.gz	YEZPJHCKDOAJNP-LEZVCQOQSA-N	0	3	552.716	2.114	1	0		KEAFHN
CC(C)NC(=O)[C@H](Cc1ccccc1)NC[C@H](O)[C@H]1Cc2ccc(cc2)OCCCC(=O)N[C@@H](C(C)C)C(=O)N1	ZINC000026566631	561797111	/nfs/dbraw/zinc/79/71/11/561797111.db2.gz	YEZPJHCKDOAJNP-COROXYKFSA-N	0	3	552.716	2.114	1	0		KEAFHN
CN(C)CCc1c2cc(CCN3C(=O)NC(C)(C)C3=O)ccc2[nH]c1C(=O)NCc1ccc(S(C)(=O)=O)cc1	ZINC000026567268	561797208	/nfs/dbraw/zinc/79/72/08/561797208.db2.gz	YCPSBAASPDUXLM-UHFFFAOYSA-N	0	3	553.685	2.478	1	0		KEAFHN
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000026575732	561799374	/nfs/dbraw/zinc/79/93/74/561799374.db2.gz	RKLMJYJBGYXOFV-PEAQOHSKSA-N	0	3	624.742	2.065	1	0		KEAFHN
NC(=O)C[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000026575782	561799548	/nfs/dbraw/zinc/79/95/48/561799548.db2.gz	CBXFHPCTSWVLQQ-UHCFPPKYSA-N	0	3	728.850	2.272	1	0		KEAFHN
NC(=O)C[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O	ZINC000026575783	561799540	/nfs/dbraw/zinc/79/95/40/561799540.db2.gz	CBXFHPCTSWVLQQ-UJVAURMTSA-N	0	3	728.850	2.272	1	0		KEAFHN
NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O	ZINC000026575784	561799524	/nfs/dbraw/zinc/79/95/24/561799524.db2.gz	CBXFHPCTSWVLQQ-BWNROZNWSA-N	0	3	728.850	2.272	1	0		KEAFHN
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)C[C@H](N)c1ccc(O)cc1	ZINC000026654505	561808988	/nfs/dbraw/zinc/80/89/88/561808988.db2.gz	GIWQDLVBONLWRW-SYKYGTKKSA-N	0	3	610.715	2.195	1	0		KEAFHN
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)C[C@@H](N)c1ccc(O)cc1	ZINC000026654510	561808967	/nfs/dbraw/zinc/80/89/67/561808967.db2.gz	GIWQDLVBONLWRW-ZRJFKUPHSA-N	0	3	610.715	2.195	1	0		KEAFHN
CC(C)(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](CO)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)(C)C	ZINC000026728131	561816263	/nfs/dbraw/zinc/81/62/63/561816263.db2.gz	JGMKSNHINWQEIP-TZFYSIHZSA-N	0	3	540.749	2.158	1	0		KEAFHN
CC(C)(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](CO)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)(C)C	ZINC000026729731	561816538	/nfs/dbraw/zinc/81/65/38/561816538.db2.gz	JGMKSNHINWQEIP-VYLWARHZSA-N	0	3	540.749	2.158	1	0		KEAFHN
CC(C)(N)C(=O)N[C@H](COCc1ccc(F)cc1F)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)[C@]2(Cc2ccccn2)C1	ZINC000026975561	561830895	/nfs/dbraw/zinc/83/08/95/561830895.db2.gz	QUAJHCSLZMRTTM-JIPXPUAJSA-N	0	3	610.584	2.320	1	0		KEAFHN
COc1ccc(C[C@H](NC(=O)C(C)(C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1	ZINC000027086629	561836456	/nfs/dbraw/zinc/83/64/56/561836456.db2.gz	UGXKCYZOKRDKII-VFFRCKCKSA-N	0	3	642.842	2.134	1	0		KEAFHN
COc1ccc(C[C@H](NC(=O)C(C)(C)N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1	ZINC000027086629	561836455	/nfs/dbraw/zinc/83/64/55/561836455.db2.gz	UGXKCYZOKRDKII-VFFRCKCKSA-N	0	3	642.842	2.134	1	0		KEAFHN
CCCOC[C@@H]1NC(=O)[C@@H](N)CCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)NC1=O	ZINC000027212511	561847464	/nfs/dbraw/zinc/84/74/64/561847464.db2.gz	ZOGAJEOVCPKBPD-XHPANXIASA-N	0	3	661.866	2.195	1	0		KEAFHN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H]1C[C@@H](S(C)(=O)=O)CN1)C2	ZINC000027316063	561851631	/nfs/dbraw/zinc/85/16/31/561851631.db2.gz	OXIUYFTYKSWDKX-XNIAFWOFSA-N	0	3	577.813	2.382	1	0		KEAFHN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H]1C[C@@H](S(C)(=O)=O)CN1)C2	ZINC000027316068	561851679	/nfs/dbraw/zinc/85/16/79/561851679.db2.gz	OXIUYFTYKSWDKX-OFXBGWBLSA-N	0	3	577.813	2.382	1	0		KEAFHN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H]1C[C@H](S(C)(=O)=O)CN1)C2	ZINC000027316074	561851643	/nfs/dbraw/zinc/85/16/43/561851643.db2.gz	OXIUYFTYKSWDKX-YSCXQRNISA-N	0	3	577.813	2.382	1	0		KEAFHN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H]1C[C@H](S(C)(=O)=O)CN1)C2	ZINC000027316079	561851688	/nfs/dbraw/zinc/85/16/88/561851688.db2.gz	OXIUYFTYKSWDKX-OLXWOTFLSA-N	0	3	577.813	2.382	1	0		KEAFHN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CN1CC[C@H](N)C1=O)C2	ZINC000027319558	561852272	/nfs/dbraw/zinc/85/22/72/561852272.db2.gz	SMTSPXQKAISTBU-KXPNLRIWSA-N	0	3	542.746	2.167	1	0		KEAFHN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](N)CCC(N)=O)C2	ZINC000027323831	561853113	/nfs/dbraw/zinc/85/31/13/561853113.db2.gz	HUBWQAUQKKUZCD-NONBHWBCSA-N	0	3	530.735	2.200	1	0		KEAFHN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)N[C@@H](CN)C1=O)C2	ZINC000027325765	561853599	/nfs/dbraw/zinc/85/35/99/561853599.db2.gz	AOHLYYLXWGWSJO-DOTYIUQFSA-N	0	3	514.692	2.370	1	0		KEAFHN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)N[C@H](CN)C1=O)C2	ZINC000027325769	561853563	/nfs/dbraw/zinc/85/35/63/561853563.db2.gz	AOHLYYLXWGWSJO-YUGFUXRRSA-N	0	3	514.692	2.370	1	0		KEAFHN
CC(C)C[C@H](NC(=O)[C@H](CN)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000027331261	561855008	/nfs/dbraw/zinc/85/50/08/561855008.db2.gz	ISKSDTHIFVXGTD-OBBCHVIHSA-N	0	3	611.784	2.192	1	0		KEAFHN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CN(C)C)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1	ZINC000027524024	561865435	/nfs/dbraw/zinc/86/54/35/561865435.db2.gz	YWBICMHJWOGVGL-MCLUNMOSSA-N	0	3	616.844	2.364	1	0		KEAFHN
O=C(C1CCN(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccc(I)cc2)CC1	ZINC000027552606	561868361	/nfs/dbraw/zinc/86/83/61/561868361.db2.gz	DIJZGPDWOUDFDS-UHFFFAOYSA-N	0	3	540.427	2.436	1	0		KEAFHN
COc1ccc(CN[C@@H](C(=O)N[C@H](C(=O)NCc2nc3ccccc3[nH]2)C(C)C)[C@H](O)[C@@H](N)Cc2ccccc2)cc1	ZINC000027554178	561868997	/nfs/dbraw/zinc/86/89/97/561868997.db2.gz	JRBPBQXGCQTVHC-DQNAVNAOSA-N	0	3	572.710	2.418	1	0		KEAFHN
CN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3N(C)CC[C@]41[C@@]3(O)C2	ZINC000027979022	561891467	/nfs/dbraw/zinc/89/14/67/561891467.db2.gz	ASOVJVGZJDVADR-UCDXVGGRSA-N	0	3	581.669	2.264	1	0		KEAFHN
CC(C)(C)OC(=O)N1CCC[C@@H]1CN[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NCC(N)=O	ZINC000028013339	561896685	/nfs/dbraw/zinc/89/66/85/561896685.db2.gz	GXAWDYOWDXPTAS-RTWAWAEBSA-N	0	3	519.643	2.042	1	0		KEAFHN
CC(C)(C)OC(=O)N1CCC[C@H]1CN[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NCC(N)=O	ZINC000028013345	561896725	/nfs/dbraw/zinc/89/67/25/561896725.db2.gz	GXAWDYOWDXPTAS-SFTDATJTSA-N	0	3	519.643	2.042	1	0		KEAFHN
COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](N)c3ccccc3F)c2=O)c1F	ZINC000028113410	561903436	/nfs/dbraw/zinc/90/34/36/561903436.db2.gz	TWIHJZDDTCLXRN-LJQANCHMSA-N	0	3	516.451	2.474	1	0		KEAFHN
COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3F)c2=O)c1F	ZINC000028113416	561903367	/nfs/dbraw/zinc/90/33/67/561903367.db2.gz	TWIHJZDDTCLXRN-IBGZPJMESA-N	0	3	516.451	2.474	1	0		KEAFHN
Cc1[nH]c2ccccc2c1C[C@H](NC=O)NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc21)NC(=O)C(C)(C)N	ZINC000028220424	561907253	/nfs/dbraw/zinc/90/72/53/561907253.db2.gz	ZDQRSDMFVJDWME-JWQCQUIFSA-N	0	3	502.619	2.462	1	0		KEAFHN
Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)C(C)(C)N)C(=O)N[C@@H](Cc1c(C)[nH]c2ccccc21)NC=O	ZINC000028221142	561907312	/nfs/dbraw/zinc/90/73/12/561907312.db2.gz	ZDQRSDMFVJDWME-RPBOFIJWSA-N	0	3	502.619	2.462	1	0		KEAFHN
CCNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N	ZINC000028222223	561907516	/nfs/dbraw/zinc/90/75/16/561907516.db2.gz	XJLWNWRUORDXMW-RPWUZVMVSA-N	0	3	517.634	2.418	1	0		KEAFHN
Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc21)NC(=O)C(C)(C)N)C(N)=O	ZINC000028223137	561907554	/nfs/dbraw/zinc/90/75/54/561907554.db2.gz	RVAXPKJGCHKWJV-DNQXCXABSA-N	0	3	502.619	2.243	1	0		KEAFHN
CN(C)CC(=O)NCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000028238391	561910094	/nfs/dbraw/zinc/91/00/94/561910094.db2.gz	XJYIIKRQGIKYAZ-KRCBVYEFSA-N	0	3	669.868	2.457	1	0		KEAFHN
CC(C)([NH3+])CC(=O)N[C@@H]1CS(=O)(=O)c2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O	ZINC000028264794	561912488	/nfs/dbraw/zinc/91/24/88/561912488.db2.gz	PQKHBIAKWKRURV-JOCHJYFZSA-N	0	3	559.652	2.466	1	0		KEAFHN
CC(C)([NH3+])CC(=O)N[C@@H]1CS(=O)(=O)c2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O	ZINC000028264794	561912487	/nfs/dbraw/zinc/91/24/87/561912487.db2.gz	PQKHBIAKWKRURV-JOCHJYFZSA-N	0	3	559.652	2.466	1	0		KEAFHN
N[C@@H](Cn1c(=O)n(Cc2c(F)cccc2F)c(=O)n(-c2ccc3nsnc3c2)c1=O)c1ccccc1	ZINC000028332774	561912921	/nfs/dbraw/zinc/91/29/21/561912921.db2.gz	DFWBWPDCFNLQHE-IBGZPJMESA-N	0	3	508.510	2.192	1	0		KEAFHN
O=C(NCC1CCN(CCCS(=O)(=O)N2CCN(C3CCCC3)CC2)CC1)c1cccc2c1OCCO2	ZINC000028335236	561913206	/nfs/dbraw/zinc/91/32/06/561913206.db2.gz	RXJPERJYABKLTI-UHFFFAOYSA-N	0	3	534.723	2.180	1	0		KEAFHN
COc1cccc(-n2c(=O)n(CCN(C)CCc3ccccn3)c(=O)n(Cc3c(F)cccc3F)c2=O)c1	ZINC000028341883	561914284	/nfs/dbraw/zinc/91/42/84/561914284.db2.gz	ZNPRQFIYELNZSZ-UHFFFAOYSA-N	0	3	523.540	2.066	1	0		KEAFHN
CC[C@@H](C)N1CCN(S(=O)(=O)CCCN2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1	ZINC000028344313	561914641	/nfs/dbraw/zinc/91/46/41/561914641.db2.gz	ONKRAVFZJYGKKQ-OAQYLSRUSA-N	0	3	522.712	2.036	1	0		KEAFHN
CC[C@H](C)N1CCN(S(=O)(=O)CCCN2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1	ZINC000028344320	561914646	/nfs/dbraw/zinc/91/46/46/561914646.db2.gz	ONKRAVFZJYGKKQ-NRFANRHFSA-N	0	3	522.712	2.036	1	0		KEAFHN
C[C@H](N)C(=O)N1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1	ZINC000028352952	561915749	/nfs/dbraw/zinc/91/57/49/561915749.db2.gz	XZKBSIVDFMHENZ-FDJWOJMMSA-N	0	3	614.807	2.104	1	0		KEAFHN
CN(C)CCN(C)C(=O)[C@@H](CC(=O)Nc1ccc(Br)cn1)NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1	ZINC000028381687	561920210	/nfs/dbraw/zinc/92/02/10/561920210.db2.gz	XXLPKXQZQCWSGJ-JOCHJYFZSA-N	0	3	631.553	2.306	1	0		KEAFHN
CN(C)CCN(C)C(=O)[C@H](CC(=O)Nc1ccc(Br)cn1)NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1	ZINC000028381695	561920274	/nfs/dbraw/zinc/92/02/74/561920274.db2.gz	XXLPKXQZQCWSGJ-QFIPXVFZSA-N	0	3	631.553	2.306	1	0		KEAFHN
COc1cccc(-c2cn(Cc3c(F)cccc3S(=O)(=O)CCO)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F	ZINC000028470797	561926983	/nfs/dbraw/zinc/92/69/83/561926983.db2.gz	RMRJRRBRDOXSEK-QHCPKHFHSA-N	0	3	571.602	2.478	1	0		KEAFHN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)NCCN(C)C)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000028474950	561927719	/nfs/dbraw/zinc/92/77/19/561927719.db2.gz	WXSVCTCWUBXPAW-DCHFCWSPSA-N	0	3	514.531	2.402	1	0		KEAFHN
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000028474979	561927755	/nfs/dbraw/zinc/92/77/55/561927755.db2.gz	KALWPXQBRCUQLH-UZYORVLWSA-N	0	3	633.749	2.232	1	0		KEAFHN
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000028475311	561927852	/nfs/dbraw/zinc/92/78/52/561927852.db2.gz	ZCSVVRGSLXJIEE-LMHKMPGVSA-N	0	3	638.769	2.359	1	0		KEAFHN
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000028475314	561927879	/nfs/dbraw/zinc/92/78/79/561927879.db2.gz	ZCSVVRGSLXJIEE-AKOOALSVSA-N	0	3	638.769	2.359	1	0		KEAFHN
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000028475813	561927949	/nfs/dbraw/zinc/92/79/49/561927949.db2.gz	ZBJMQGASRBVTBF-DYSNXAHPSA-N	0	3	613.759	2.104	1	0		KEAFHN
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000028475816	561927990	/nfs/dbraw/zinc/92/79/90/561927990.db2.gz	ZBJMQGASRBVTBF-MSRGAWBBSA-N	0	3	613.759	2.104	1	0		KEAFHN
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000028476022	561928131	/nfs/dbraw/zinc/92/81/31/561928131.db2.gz	WOIJFHMCPKYSNJ-QDXXISHVSA-N	0	3	627.786	2.494	1	0		KEAFHN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OCNCCN(C)C)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000028476477	561928210	/nfs/dbraw/zinc/92/82/10/561928210.db2.gz	UTLQFZQCFZNCJG-FLNQWHAFSA-N	0	3	500.548	2.239	1	0		KEAFHN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OCNCCN(C)C)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000028476479	561928226	/nfs/dbraw/zinc/92/82/26/561928226.db2.gz	UTLQFZQCFZNCJG-YMACDFMISA-N	0	3	500.548	2.239	1	0		KEAFHN
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000028476891	561928419	/nfs/dbraw/zinc/92/84/19/561928419.db2.gz	WOIJFHMCPKYSNJ-UGMRNKNYSA-N	0	3	627.786	2.494	1	0		KEAFHN
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000028521731	561929438	/nfs/dbraw/zinc/92/94/38/561929438.db2.gz	KALWPXQBRCUQLH-PMUGGPHNSA-N	0	3	633.749	2.232	1	0		KEAFHN
COc1cc(CN2C(=O)N(Cc3ccc(O)c(OC)c3)N(C(=O)CN3CCNCC3)C[C@@H](O)[C@H]2Cc2ccccc2)ccc1O	ZINC000028530340	561934766	/nfs/dbraw/zinc/93/47/66/561934766.db2.gz	AMUIGYCIMWIYEY-GGXMVOPNSA-N	0	3	619.719	2.174	1	0		KEAFHN
CCCS(=O)(=O)NCc1ccc2c(c1)C[C@@H](C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)O2	ZINC000028530417	561934736	/nfs/dbraw/zinc/93/47/36/561934736.db2.gz	LUHWSRYUHCKNDP-ARNLJNQMSA-N	0	3	501.649	2.086	1	0		KEAFHN
CCCS(=O)(=O)NCc1ccc2c(c1)C[C@H](C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)O2	ZINC000028530602	561934854	/nfs/dbraw/zinc/93/48/54/561934854.db2.gz	LUHWSRYUHCKNDP-JBRSBNLGSA-N	0	3	501.649	2.086	1	0		KEAFHN
CN1CCC(N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1	ZINC000028637369	561941559	/nfs/dbraw/zinc/94/15/59/561941559.db2.gz	LFBBKJCTYBFBHU-WNWUTZSISA-N	0	3	677.850	2.223	1	0		KEAFHN
O=C1C[C@@H](NC2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1	ZINC000028638630	561942342	/nfs/dbraw/zinc/94/23/42/561942342.db2.gz	PSMURYWPGARIKS-ODRDEDCPSA-N	0	3	664.807	2.307	1	0		KEAFHN
O=C1C[C@H](NC2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1	ZINC000028638632	561942336	/nfs/dbraw/zinc/94/23/36/561942336.db2.gz	PSMURYWPGARIKS-HOWKLTHKSA-N	0	3	664.807	2.307	1	0		KEAFHN
O=C1C[C@@H](NC2CCOCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1	ZINC000028638634	561942327	/nfs/dbraw/zinc/94/23/27/561942327.db2.gz	VOQTXNSVZQBLKS-ODRDEDCPSA-N	0	3	664.807	2.307	1	0		KEAFHN
O=C1C[C@H](NC2CCOCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1	ZINC000028638776	561942332	/nfs/dbraw/zinc/94/23/32/561942332.db2.gz	VOQTXNSVZQBLKS-HOWKLTHKSA-N	0	3	664.807	2.307	1	0		KEAFHN
O=C1C[C@@H](N2CCC(N3CCOCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1	ZINC000028639233	561942530	/nfs/dbraw/zinc/94/25/30/561942530.db2.gz	PSORHCPVAZEEKB-RJKGWOMYSA-N	0	3	733.914	2.335	1	0		KEAFHN
CCCNC(=O)c1cc(C(N)=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(OC)c2)c1	ZINC000028705223	561949028	/nfs/dbraw/zinc/94/90/28/561949028.db2.gz	ZJBTYLBZKXCVMN-RRPNLBNLSA-N	0	3	532.641	2.426	1	0		KEAFHN
CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(C[C@@H](C(=O)NCCO)c3ccccc32)CC1	ZINC000028706003	561949312	/nfs/dbraw/zinc/94/93/12/561949312.db2.gz	KVBFGTSKHTWNPP-AOYPEHQESA-N	0	3	534.701	2.388	1	0		KEAFHN
CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(C[C@H](C(=O)NCCO)c3ccccc32)CC1	ZINC000028706039	561949354	/nfs/dbraw/zinc/94/93/54/561949354.db2.gz	KVBFGTSKHTWNPP-AZGAKELHSA-N	0	3	534.701	2.388	1	0		KEAFHN
C[C@H](NC(=O)[C@@H](CCc1ccccn1)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1cc(Cl)ccc1CN	ZINC000028706232	561949436	/nfs/dbraw/zinc/94/94/36/561949436.db2.gz	KZNJHGCVFBGYGX-UQBPGWFLSA-N	0	3	558.104	2.436	1	0		KEAFHN
NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1	ZINC000028706272	561949443	/nfs/dbraw/zinc/94/94/43/561949443.db2.gz	VVRYCAATWSEKQQ-SXOMAYOGSA-N	0	3	600.141	2.160	1	0		KEAFHN
CCOC(=O)CN[C@H](CCc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN	ZINC000028706301	561949618	/nfs/dbraw/zinc/94/96/18/561949618.db2.gz	FVYGXQLKUXZGOL-RPWUZVMVSA-N	0	3	531.053	2.266	1	0		KEAFHN
COC[C@H](N)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(N(C)C[C@H]2C[C@@H]2C)nc(N(C)S(C)(=O)=O)c1	ZINC000028706469	561949699	/nfs/dbraw/zinc/94/96/99/561949699.db2.gz	ZNARZYKTJODECI-XSLZUNGDSA-N	0	3	539.649	2.163	1	0		KEAFHN
CCCCS(=O)(=O)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1	ZINC000028817334	561964712	/nfs/dbraw/zinc/96/47/12/561964712.db2.gz	YTOZVAMWOLDKNH-OYUWMTPXSA-N	0	3	567.699	2.425	1	0		KEAFHN
CCCCS(=O)(=O)C[C@@H](NC(=O)COC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1	ZINC000028817336	561964720	/nfs/dbraw/zinc/96/47/20/561964720.db2.gz	KEKYDOCMYNKFDI-OYUWMTPXSA-N	0	3	597.725	2.051	1	0		KEAFHN
CCCCS(=O)(=O)C[C@@H](NC(=O)c1ncc[nH]1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1	ZINC000028817385	561964791	/nfs/dbraw/zinc/96/47/91/561964791.db2.gz	GVLLHWUPELWLKF-OYUWMTPXSA-N	0	3	619.735	2.442	1	0		KEAFHN
CCCCS(=O)(=O)C[C@@H](NC(=O)c1c[nH]ccc1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1	ZINC000028817392	561964798	/nfs/dbraw/zinc/96/47/98/561964798.db2.gz	UNVBTVJSVLCZTN-PKZQBKLLSA-N	0	3	646.757	2.407	1	0		KEAFHN
CCCCS(=O)(=O)C[C@@H](NC(=O)OCCNC(C)=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1	ZINC000028817418	561964770	/nfs/dbraw/zinc/96/47/70/561964770.db2.gz	ZWVSPRDKHNVQBX-ZGIBFIJWSA-N	0	3	654.777	2.151	1	0		KEAFHN
CNC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC1=O	ZINC000028823453	561968204	/nfs/dbraw/zinc/96/82/04/561968204.db2.gz	UQUFTFPWPQCIJD-RMTZWNOUSA-N	0	3	591.675	2.193	1	0		KEAFHN
CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN(C)C)NC1=O	ZINC000028823454	561968268	/nfs/dbraw/zinc/96/82/68/561968268.db2.gz	SISNPNGRBBSGJD-CMTIAEDTSA-N	0	3	572.150	2.169	1	0		KEAFHN
CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CN(C)C)NC1=O	ZINC000028823455	561968228	/nfs/dbraw/zinc/96/82/28/561968228.db2.gz	UMMNOBJLIVPCET-CMTIAEDTSA-N	0	3	572.150	2.169	1	0		KEAFHN
CC(C)[C@H](N)C(=O)SCCOP(=O)(COCCn1cnc2c1ncnc2N)OCCSC(=O)[C@@H](N)C(C)C	ZINC000028886296	561977588	/nfs/dbraw/zinc/97/75/88/561977588.db2.gz	HBXBSYWCCOOBEP-IRXDYDNUSA-N	0	3	591.697	2.095	1	0		KEAFHN
COc1ccc(C=O)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2	ZINC000028949890	561981023	/nfs/dbraw/zinc/98/10/23/561981023.db2.gz	YHFQNMGLSXSGML-JBYIUTFZSA-N	0	3	506.632	2.291	1	0		KEAFHN
CN1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(CC3CCC3)(C(=O)NC(C)(C)C)CC2)C1	ZINC000028949902	561981126	/nfs/dbraw/zinc/98/11/26/561981126.db2.gz	UMDFMNRSOJOZSX-LOSJGSFVSA-N	0	3	543.728	2.470	1	0		KEAFHN
CCNC(=O)[C@@](C)(CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N	ZINC000028952345	561981809	/nfs/dbraw/zinc/98/18/09/561981809.db2.gz	RLTNOZZAGHNSAI-XMMPIXPASA-N	0	3	507.557	2.435	1	0		KEAFHN
CCNC(=O)[C@](C)(CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N	ZINC000028952347	561981829	/nfs/dbraw/zinc/98/18/29/561981829.db2.gz	RLTNOZZAGHNSAI-DEOSSOPVSA-N	0	3	507.557	2.435	1	0		KEAFHN
Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)CO)c(C)c1	ZINC000028952359	561981827	/nfs/dbraw/zinc/98/18/27/561981827.db2.gz	KNCWDGUPSSDGDF-NRFANRHFSA-N	0	3	522.568	2.214	1	0		KEAFHN
Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N2CCOCC2)c(C)c1	ZINC000028952383	561981943	/nfs/dbraw/zinc/98/19/43/561981943.db2.gz	XTHLGHRZCDTJHJ-QFIPXVFZSA-N	0	3	520.552	2.185	1	0		KEAFHN
O=C(C(=O)N1CCC[C@H]1CN1CCCC1)N1CC[C@@H](CNS(=O)(=O)/C=C/c2ccc(Cl)s2)C1	ZINC000028956055	561983051	/nfs/dbraw/zinc/98/30/51/561983051.db2.gz	RJOMTDLTLDWPIA-DQADQBJQSA-N	0	3	515.101	2.227	1	0		KEAFHN
O=C(C(=O)N1CCC[C@H]1CN1CCCC1)N1CC[C@H](CNS(=O)(=O)/C=C/c2ccc(Cl)s2)C1	ZINC000028956070	561983063	/nfs/dbraw/zinc/98/30/63/561983063.db2.gz	RJOMTDLTLDWPIA-SUHLXZCWSA-N	0	3	515.101	2.227	1	0		KEAFHN
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)N2CCCCC2)c1	ZINC000028968594	561985619	/nfs/dbraw/zinc/98/56/19/561985619.db2.gz	SLUFXDXLBWGIIS-IZZNHLLZSA-N	0	3	517.692	2.469	1	0		KEAFHN
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)N2CCCCC2)c1	ZINC000028968599	561985657	/nfs/dbraw/zinc/98/56/57/561985657.db2.gz	QKDILUYNDDDGDO-LOSJGSFVSA-N	0	3	503.665	2.079	1	0		KEAFHN
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)NCCC(C)C)c1	ZINC000028968606	561985624	/nfs/dbraw/zinc/98/56/24/561985624.db2.gz	ADUWXOLELPWYPY-LOSJGSFVSA-N	0	3	505.681	2.229	1	0		KEAFHN
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)NC1CCCCC1	ZINC000028978356	561987793	/nfs/dbraw/zinc/98/77/93/561987793.db2.gz	YKYXAHIQYWIJPR-PNTFMKQHSA-N	0	3	515.676	2.219	1	0		KEAFHN
CCNc1cc(C(=O)N[C@@H](Cn2cccn2)[C@H](O)CNCc2cccc(OC)c2)cc(N2CCCCS2(=O)=O)c1	ZINC000029039622	561990065	/nfs/dbraw/zinc/99/00/65/561990065.db2.gz	OFELJLDMFBJYRB-RRPNLBNLSA-N	0	3	570.716	2.203	1	0		KEAFHN
COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N2CCN(C)CC2)cc1OC	ZINC000029043024	561991812	/nfs/dbraw/zinc/99/18/12/561991812.db2.gz	IHVHGNZAYFNZSU-XMMPIXPASA-N	0	3	544.718	2.478	1	0		KEAFHN
COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N2CCCC2)cc1OC	ZINC000029043028	561991798	/nfs/dbraw/zinc/99/17/98/561991798.db2.gz	ODUGRXFIDSZPEX-XZOQPEGZSA-N	0	3	531.675	2.297	1	0		KEAFHN
O=C(CN1CCNCC1)Nc1ccc(-c2ccc(OC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cn1	ZINC000029048256	561993485	/nfs/dbraw/zinc/99/34/85/561993485.db2.gz	IQONGTWJJKZIDX-MUUNZHRXSA-N	0	3	549.582	2.429	1	0		KEAFHN
O=C(CN1CCNCC1)Nc1ccc(-c2ccc(OC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cn1	ZINC000029048259	561993461	/nfs/dbraw/zinc/99/34/61/561993461.db2.gz	IQONGTWJJKZIDX-NDEPHWFRSA-N	0	3	549.582	2.429	1	0		KEAFHN
CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(CCOc3ccccc3)C(=O)N2)c1	ZINC000029049233	561994004	/nfs/dbraw/zinc/99/40/04/561994004.db2.gz	FZLSLIXTGTZYGP-YTCPBCGMSA-N	0	3	545.684	2.403	1	0		KEAFHN
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCCc1ccccc1	ZINC000029049996	561994171	/nfs/dbraw/zinc/99/41/71/561994171.db2.gz	IXOXEJHAWDQWOR-HSZRJFAPSA-N	0	3	507.639	2.314	1	0		KEAFHN
CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(CNC(=O)NCCN2CCCCC2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O	ZINC000029127008	561999364	/nfs/dbraw/zinc/99/93/64/561999364.db2.gz	VJSKJJGCPATTMA-CTMYTVLESA-N	0	3	671.803	2.111	1	0		KEAFHN
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)NC1CCCCC1	ZINC000029127650	562000096	/nfs/dbraw/zinc/00/00/96/562000096.db2.gz	PXYHFUBZOJLFQW-NJTBCWBZSA-N	0	3	556.729	2.356	1	0		KEAFHN
C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)NC1CCCCC1	ZINC000029127692	562000174	/nfs/dbraw/zinc/00/01/74/562000174.db2.gz	YKYXAHIQYWIJPR-LQGLAIQGSA-N	0	3	515.676	2.219	1	0		KEAFHN
CCNC(=O)CCN1CC[C@@H](N2CC(=O)N3[C@H](Cc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)C2=O)C1	ZINC000029217286	562006736	/nfs/dbraw/zinc/00/67/36/562006736.db2.gz	QXAMGYSAHFAZTP-XGBAOLAVSA-N	0	3	543.624	2.182	1	0		KEAFHN
O=C(CCN1CC[C@@H](N2CC(=O)N3[C@H](Cc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)C2=O)C1)N1CCC1	ZINC000029217291	562006723	/nfs/dbraw/zinc/00/67/23/562006723.db2.gz	SIJLSIJRZDSJNG-YMLOERMTSA-N	0	3	555.635	2.278	1	0		KEAFHN
CN(C)C(=O)CCN1CC[C@@H](N2CC(=O)N3[C@H](Cc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)C2=O)C1	ZINC000029219560	562006954	/nfs/dbraw/zinc/00/69/54/562006954.db2.gz	ZBBJEXJYASHZEV-XGBAOLAVSA-N	0	3	543.624	2.134	1	0		KEAFHN
CC(C)CN1C[C@@](O)(CNC(=O)[C@H]2N[C@@H]([C@H](NC(=O)Cc3ccccc3)C(=O)NCc3ccccc3)SC2(C)C)C[C@H]1C(=O)NC(C)(C)C	ZINC000029254496	562011474	/nfs/dbraw/zinc/01/14/74/562011474.db2.gz	DASABZXLSQEQGR-CBAARDCESA-N	0	3	694.943	2.332	1	0		KEAFHN
CC(C)CN1C[C@](O)(CNC(=O)[C@H]2N[C@@H]([C@H](NC(=O)Cc3ccccc3)C(=O)NCc3ccccc3)SC2(C)C)C[C@H]1C(=O)NC(C)(C)C	ZINC000029254504	562011459	/nfs/dbraw/zinc/01/14/59/562011459.db2.gz	DASABZXLSQEQGR-JYEQWQGUSA-N	0	3	694.943	2.332	1	0		KEAFHN
CC(C)CN1C[C@@](O)(CNC(=O)[C@@H]2N[C@@H]([C@H](NC(=O)Cc3ccccc3)C(=O)NCc3ccccc3)SC2(C)C)C[C@H]1C(=O)NC(C)(C)C	ZINC000029311919	562012122	/nfs/dbraw/zinc/01/21/22/562012122.db2.gz	DASABZXLSQEQGR-YLBMZPECSA-N	0	3	694.943	2.332	1	0		KEAFHN
CC(C)CN1C[C@](O)(CNC(=O)[C@@H]2N[C@@H]([C@H](NC(=O)Cc3ccccc3)C(=O)NCc3ccccc3)SC2(C)C)C[C@H]1C(=O)NC(C)(C)C	ZINC000029311926	562012093	/nfs/dbraw/zinc/01/20/93/562012093.db2.gz	DASABZXLSQEQGR-XKXPXTJTSA-N	0	3	694.943	2.332	1	0		KEAFHN
CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc(CN)cs2)C(=O)N2CCC(CCO)CC2)C1	ZINC000029337928	562014647	/nfs/dbraw/zinc/01/46/47/562014647.db2.gz	YAYFKCOQMKSBFP-FQEVSTJZSA-N	0	3	535.736	2.107	1	0		KEAFHN
CC1(C)CNc2c(cccc2S(=O)(=O)N[C@H](Cc2nc(CN)cs2)C(=O)N2CCC(CCO)CC2)C1	ZINC000029337931	562014624	/nfs/dbraw/zinc/01/46/24/562014624.db2.gz	YAYFKCOQMKSBFP-HXUWFJFHSA-N	0	3	535.736	2.107	1	0		KEAFHN
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1Cc2ccccc2CN1	ZINC000029551216	562031052	/nfs/dbraw/zinc/03/10/52/562031052.db2.gz	YYFIOZFPUHACEI-XLIKFSOKSA-N	0	3	539.721	2.375	1	0		KEAFHN
CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@@H](N)CCCCNC(=O)OCc4ccccc4)cc3)nc2c(=O)n(CCC)c1=O	ZINC000029557943	562032426	/nfs/dbraw/zinc/03/24/26/562032426.db2.gz	KOWBUZKXPZUREJ-MHZLTWQESA-N	0	3	690.802	2.409	1	0		KEAFHN
CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@H](N)CCCCNC(=O)OCc4ccccc4)cc3)nc2c(=O)n(CCC)c1=O	ZINC000029557947	562032438	/nfs/dbraw/zinc/03/24/38/562032438.db2.gz	KOWBUZKXPZUREJ-HHHXNRCGSA-N	0	3	690.802	2.409	1	0		KEAFHN
COc1cc([C@H]2c3cc4c(cc3[C@@H](NCCN3CCOCC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000031851252	562036489	/nfs/dbraw/zinc/03/64/89/562036489.db2.gz	XJELDDZCOWMPQO-PAWHMVCQSA-N	0	3	512.559	2.036	1	0		KEAFHN
CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)CN2CCC(N3C(=O)COc4cccnc43)CC2)C1	ZINC000034804853	562043513	/nfs/dbraw/zinc/04/35/13/562043513.db2.gz	JBLOHPBDSXSVNC-JOCHJYFZSA-N	0	3	645.580	2.276	1	0		KEAFHN
CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)CN2CCC(N3C(=O)COc4cccnc43)CC2)C1	ZINC000034804860	562043470	/nfs/dbraw/zinc/04/34/70/562043470.db2.gz	JBLOHPBDSXSVNC-QFIPXVFZSA-N	0	3	645.580	2.276	1	0		KEAFHN
O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(OC(F)(F)F)cc54)CC3)nc2N1	ZINC000034846312	562043725	/nfs/dbraw/zinc/04/37/25/562043725.db2.gz	SJFWKKUVCFFLOM-UHFFFAOYSA-N	0	3	521.496	2.291	1	0		KEAFHN
O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(Br)cc54)CC3)nc2N1	ZINC000034846565	562043780	/nfs/dbraw/zinc/04/37/80/562043780.db2.gz	IOTQMKWKQPFOSC-UHFFFAOYSA-N	0	3	516.396	2.155	1	0		KEAFHN
CN(C)CCN(CC[NH2+]CCc1ccc([O-])c2[nH]c(=O)sc21)C(=O)CCOCCc1ccccc1	ZINC000034873429	562043743	/nfs/dbraw/zinc/04/37/43/562043743.db2.gz	KFFHPHUPVZQMDB-UHFFFAOYSA-N	0	3	500.665	2.467	1	0		KEAFHN
COc1ccc2ncc(Cl)c(CCN3C[C@@H](O)[C@@H](CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1	ZINC000035822049	562045375	/nfs/dbraw/zinc/04/53/75/562045375.db2.gz	LSSGHDHHRGHIFQ-IFXJQAMLSA-N	0	3	515.039	2.356	1	0		KEAFHN
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C	ZINC000036216381	562051203	/nfs/dbraw/zinc/05/12/03/562051203.db2.gz	AIOLFDZVYRFPMH-VMPREFPWSA-N	0	3	620.795	2.351	1	0		KEAFHN
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)[nH]c1=O	ZINC000036216384	562051260	/nfs/dbraw/zinc/05/12/60/562051260.db2.gz	JZVUQVMVBXOURL-VMPREFPWSA-N	0	3	620.795	2.351	1	0		KEAFHN
CN1C[C@H](C(=O)N[C@@]2(C)O[C@@]3(O)[C@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21	ZINC000038145878	562064541	/nfs/dbraw/zinc/06/45/41/562064541.db2.gz	LUZRJRNZXALNLM-HGZIASHZSA-N	0	3	583.689	2.081	1	0		KEAFHN
CN1C[C@H](C(=O)N[C@@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21	ZINC000038145880	562064502	/nfs/dbraw/zinc/06/45/02/562064502.db2.gz	LUZRJRNZXALNLM-OGNHMBFISA-N	0	3	583.689	2.081	1	0		KEAFHN
O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1)N1CC[C@@H](O)C1	ZINC000038662220	562072177	/nfs/dbraw/zinc/07/21/77/562072177.db2.gz	JDTCZRQCZFSKET-RTWAWAEBSA-N	0	3	502.995	2.462	1	0		KEAFHN
CC(=O)NCCNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1	ZINC000038750656	562072327	/nfs/dbraw/zinc/07/23/27/562072327.db2.gz	FRCSGPIZMKPBKK-NRFANRHFSA-N	0	3	518.010	2.121	1	0		KEAFHN
O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1)N1CC[C@H](O)C1	ZINC000038853014	562072394	/nfs/dbraw/zinc/07/23/94/562072394.db2.gz	JDTCZRQCZFSKET-SFTDATJTSA-N	0	3	502.995	2.462	1	0		KEAFHN
CCOC(=O)COc1ccc(CNC(=O)[C@@H]2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1	ZINC000040848701	562080565	/nfs/dbraw/zinc/08/05/65/562080565.db2.gz	FRVFMEUXKDHFQW-VGSWGCGISA-N	0	3	520.508	2.209	1	0		KEAFHN
CCOC(=O)COc1ccc(CNC(=O)[C@H]2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1	ZINC000040848703	562080561	/nfs/dbraw/zinc/08/05/61/562080561.db2.gz	FRVFMEUXKDHFQW-VGOFRKELSA-N	0	3	520.508	2.209	1	0		KEAFHN
CCOC(=O)COc1cccc(CNC(=O)[C@@H]2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)c1	ZINC000040933320	562084586	/nfs/dbraw/zinc/08/45/86/562084586.db2.gz	OWIBONKFADLKCC-VGSWGCGISA-N	0	3	520.508	2.209	1	0		KEAFHN
CCOC(=O)COc1cccc(CNC(=O)[C@H]2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)c1	ZINC000040933322	562084570	/nfs/dbraw/zinc/08/45/70/562084570.db2.gz	OWIBONKFADLKCC-VGOFRKELSA-N	0	3	520.508	2.209	1	0		KEAFHN
C[NH2+]CC(=O)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1	ZINC000040973856	562087060	/nfs/dbraw/zinc/08/70/60/562087060.db2.gz	QRRRFXRYQZQTNR-UHFFFAOYSA-N	0	3	519.567	2.027	1	0		KEAFHN
CCn1cc2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCF)cc3N(C)S(=O)(=O)CC2	ZINC000043123053	562646254	/nfs/dbraw/zinc/64/62/54/562646254.db2.gz	MRGNUQIOLFDABG-XUZZJYLKSA-N	0	3	516.639	2.244	1	0		KEAFHN
N[C@@H](CC(=O)N1CCc2c(nc(-c3cccs3)nc2C(F)(F)F)C1)CN1C(=O)CCC(F)(F)[C@@H]1O	ZINC000043206647	562647089	/nfs/dbraw/zinc/64/70/89/562647089.db2.gz	ODHDKYQTZUUNJQ-WLRWDXFRSA-N	0	3	519.496	2.402	1	0		KEAFHN
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@H](c1cc2ccccc2[nH]1)c1ccncc1	ZINC000043323480	562647861	/nfs/dbraw/zinc/64/78/61/562647861.db2.gz	FPBNNSINPSSWEU-XDBHGIFISA-N	0	3	570.694	2.489	1	0		KEAFHN
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@@H](c1cc2ccccc2[nH]1)c1ccncc1	ZINC000043323482	562647845	/nfs/dbraw/zinc/64/78/45/562647845.db2.gz	FPBNNSINPSSWEU-PKOPPFNUSA-N	0	3	570.694	2.489	1	0		KEAFHN
CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNC	ZINC000044308339	562654277	/nfs/dbraw/zinc/65/42/77/562654277.db2.gz	JICSVJQEGDFDBH-ULNSLHSMSA-N	0	3	589.712	2.422	1	0		KEAFHN
Clc1ccc2c(c1)nccc2NCCNc1nc(NCCN2CCOCC2)nc(N2CCOCC2)n1	ZINC000045352225	562661740	/nfs/dbraw/zinc/66/17/40/562661740.db2.gz	UGNLHMJBEOIHDH-UHFFFAOYSA-N	0	3	514.034	2.178	1	0		KEAFHN
O=C(NCc1ccc(Cl)cc1)c1cn2c(CNCCO)cc3cc(CN4CCOCC4)cc(c32)c1=O	ZINC000049071556	562664163	/nfs/dbraw/zinc/66/41/63/562664163.db2.gz	HTDRAMWKLLFZER-UHFFFAOYSA-N	0	3	509.006	2.388	1	0		KEAFHN
CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(N4CCNCC4)cc(=O)oc3c2C)OC1(C)C	ZINC000049627252	562667493	/nfs/dbraw/zinc/66/74/93/562667493.db2.gz	YQIQKGFYQTWRGM-POHJQOBCSA-N	0	3	541.601	2.263	1	0		KEAFHN
CC[C@H](N)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1COC(C)=O	ZINC000049694738	562669681	/nfs/dbraw/zinc/66/96/81/562669681.db2.gz	CGTNLNNWWXJERJ-HOIWYFOJSA-N	0	3	534.657	2.447	1	0		KEAFHN
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CO	ZINC000049695304	562670418	/nfs/dbraw/zinc/67/04/18/562670418.db2.gz	AYPTYGWZNLNCFL-VEGWMBEDSA-N	0	3	506.647	2.137	1	0		KEAFHN
CCNC(=S)NC[C@H]1CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C(=O)[C@H]1NC(=O)[C@@H](N)CC	ZINC000049708526	562670937	/nfs/dbraw/zinc/67/09/37/562670937.db2.gz	ICLOIEGJOKLZFR-HOIWYFOJSA-N	0	3	578.783	2.368	1	0		KEAFHN
CC[C@H](N)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CCO	ZINC000049708765	562671096	/nfs/dbraw/zinc/67/10/96/562671096.db2.gz	HAMADBKCKRFVNI-VEGWMBEDSA-N	0	3	506.647	2.266	1	0		KEAFHN
CC[C@H](N)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CNC(C)=O	ZINC000049710318	562671642	/nfs/dbraw/zinc/67/16/42/562671642.db2.gz	FGVJZVMUQHWRBE-HOIWYFOJSA-N	0	3	533.673	2.020	1	0		KEAFHN
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](NS(C)(=O)=O)NC1	ZINC000049722929	562672706	/nfs/dbraw/zinc/67/27/06/562672706.db2.gz	MMCCCNBFTJJMNA-RVUATISTSA-N	0	3	566.715	2.414	1	0		KEAFHN
CCNC(=O)NC[C@H]1CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C(=O)[C@H]1NC(=O)[C@@H](N)CC	ZINC000049722997	562672783	/nfs/dbraw/zinc/67/27/83/562672783.db2.gz	ZOBWRGLXMKGVBQ-HOIWYFOJSA-N	0	3	562.715	2.203	1	0		KEAFHN
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccnc2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	ZINC000049733664	562673312	/nfs/dbraw/zinc/67/33/12/562673312.db2.gz	DWNFFRSFQJGSML-UOYTTWMDSA-N	0	3	694.863	2.049	1	0		KEAFHN
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccnc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	ZINC000049733666	562673309	/nfs/dbraw/zinc/67/33/09/562673309.db2.gz	DWNFFRSFQJGSML-OWYBIXQWSA-N	0	3	694.863	2.049	1	0		KEAFHN
CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1	ZINC000049756135	562674866	/nfs/dbraw/zinc/67/48/66/562674866.db2.gz	XMDPZWNVQRMVKQ-UHFFFAOYSA-N	0	3	589.701	2.489	1	0		KEAFHN
O=C([C@@H]1CC[NH2+]C1)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1	ZINC000049756349	562674991	/nfs/dbraw/zinc/67/49/91/562674991.db2.gz	GMKQKEGOSSISFQ-MRXNPFEDSA-N	0	3	545.605	2.417	1	0		KEAFHN
O=C([C@H]1CC[NH2+]C1)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1	ZINC000049756890	562675291	/nfs/dbraw/zinc/67/52/91/562675291.db2.gz	GMKQKEGOSSISFQ-INIZCTEOSA-N	0	3	545.605	2.417	1	0		KEAFHN
CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1	ZINC000049757132	562675544	/nfs/dbraw/zinc/67/55/44/562675544.db2.gz	QDYDLDKGDBEEOL-UHFFFAOYSA-N	0	3	575.674	2.147	1	0		KEAFHN
C[C@@H](NC(=O)c1cc(C(=O)NC[C@](N)(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1	ZINC000049777583	562680235	/nfs/dbraw/zinc/68/02/35/562680235.db2.gz	HVFSQSLQHUCYDO-GDJIYFAZSA-N	0	3	556.660	2.375	1	0		KEAFHN
C[C@@H](NC(=O)c1cc(C(=O)NC[C@@](N)(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1	ZINC000049777584	562680271	/nfs/dbraw/zinc/68/02/71/562680271.db2.gz	HVFSQSLQHUCYDO-WHLCRQNOSA-N	0	3	556.660	2.375	1	0		KEAFHN
C[C@@H](CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1)N1CCN(C(=O)c2ccccc2)CC1	ZINC000049780843	562682386	/nfs/dbraw/zinc/68/23/86/562682386.db2.gz	ZMXNGPQNWZCZQM-GBXCKJPGSA-N	0	3	545.606	2.472	1	0		KEAFHN
C[C@H](CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1)N1CCN(C(=O)c2ccccc2)CC1	ZINC000049780844	562682378	/nfs/dbraw/zinc/68/23/78/562682378.db2.gz	ZMXNGPQNWZCZQM-HYBUGGRVSA-N	0	3	545.606	2.472	1	0		KEAFHN
O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3cc(F)ccc3F)CC2)C1	ZINC000049780898	562682491	/nfs/dbraw/zinc/68/24/91/562682491.db2.gz	QIBDSCJTWMYQTC-OAQYLSRUSA-N	0	3	567.559	2.362	1	0		KEAFHN
Cc1cccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1	ZINC000049781063	562682568	/nfs/dbraw/zinc/68/25/68/562682568.db2.gz	NVHAHTZSEKLNOR-XMMPIXPASA-N	0	3	545.606	2.392	1	0		KEAFHN
O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)C1	ZINC000049781100	562682607	/nfs/dbraw/zinc/68/26/07/562682607.db2.gz	SLAGVDVFVOTFNB-HSZRJFAPSA-N	0	3	531.579	2.084	1	0		KEAFHN
C[C@@H](CN1CCN(C(=O)c2ccccc2)CC1)N1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000049781244	562682817	/nfs/dbraw/zinc/68/28/17/562682817.db2.gz	FPRIQQJLAIFZQG-GBXCKJPGSA-N	0	3	545.606	2.472	1	0		KEAFHN
C[C@H](CN1CCN(C(=O)c2ccccc2)CC1)N1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000049781245	562682805	/nfs/dbraw/zinc/68/28/05/562682805.db2.gz	FPRIQQJLAIFZQG-HYBUGGRVSA-N	0	3	545.606	2.472	1	0		KEAFHN
Cc1ccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1	ZINC000049781341	562682938	/nfs/dbraw/zinc/68/29/38/562682938.db2.gz	ZKGKTICIIGFEPN-XMMPIXPASA-N	0	3	545.606	2.392	1	0		KEAFHN
O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3F)CC2)C1	ZINC000049784185	562683470	/nfs/dbraw/zinc/68/34/70/562683470.db2.gz	RMNQHMQKUFGTQZ-OAQYLSRUSA-N	0	3	549.569	2.223	1	0		KEAFHN
Cc1ccccc1C(=O)N1CCN(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1	ZINC000049802276	562685584	/nfs/dbraw/zinc/68/55/84/562685584.db2.gz	DTZPLHILMRPRLI-HSZRJFAPSA-N	0	3	545.606	2.392	1	0		KEAFHN
O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccc(F)cc3)CC2)C1	ZINC000049802473	562685702	/nfs/dbraw/zinc/68/57/02/562685702.db2.gz	RBXZKCFVNNEGGD-HSZRJFAPSA-N	0	3	549.569	2.223	1	0		KEAFHN
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000049833209	562687607	/nfs/dbraw/zinc/68/76/07/562687607.db2.gz	WCEMFCFLRANOGP-LMHKMPGVSA-N	0	3	638.769	2.359	1	0		KEAFHN
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000049833582	562687898	/nfs/dbraw/zinc/68/78/98/562687898.db2.gz	WCEMFCFLRANOGP-DRCGAMLMSA-N	0	3	638.769	2.359	1	0		KEAFHN
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000049852150	562688838	/nfs/dbraw/zinc/68/88/38/562688838.db2.gz	WCEMFCFLRANOGP-JPQUJUHESA-N	0	3	638.769	2.359	1	0		KEAFHN
CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(N3CCNCC3)s1)n2CCC(N)=O	ZINC000049867598	562689579	/nfs/dbraw/zinc/68/95/79/562689579.db2.gz	CABJCPPEBOXLNC-UHFFFAOYSA-N	0	3	531.642	2.912	1	0		KEAFHN
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	ZINC000049888597	562691326	/nfs/dbraw/zinc/69/13/26/562691326.db2.gz	UHMRVTFUDQTJSA-CEOOCHGGSA-N	0	3	631.804	2.085	1	0		KEAFHN
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	ZINC000049888598	562691322	/nfs/dbraw/zinc/69/13/22/562691322.db2.gz	UHMRVTFUDQTJSA-HSFZBLCZSA-N	0	3	631.804	2.085	1	0		KEAFHN
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	ZINC000049888599	562691335	/nfs/dbraw/zinc/69/13/35/562691335.db2.gz	UHMRVTFUDQTJSA-QVTLVPHTSA-N	0	3	631.804	2.085	1	0		KEAFHN
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	ZINC000049888600	562691333	/nfs/dbraw/zinc/69/13/33/562691333.db2.gz	UHMRVTFUDQTJSA-JIKIJLDQSA-N	0	3	631.804	2.085	1	0		KEAFHN
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000049889167	562691841	/nfs/dbraw/zinc/69/18/41/562691841.db2.gz	WCEMFCFLRANOGP-AKOOALSVSA-N	0	3	638.769	2.359	1	0		KEAFHN
CNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NCc2cc(Cl)ccc2OCc2ccccc2)[C@H](O)[C@@H]1N	ZINC000053151251	562696281	/nfs/dbraw/zinc/69/62/81/562696281.db2.gz	CHWZXNHFXXEIRA-BINBFKAUSA-N	0	3	523.981	2.002	1	0		KEAFHN
CC(C)C[C@@H](COc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1)NC(=O)CN	ZINC000058575951	562699630	/nfs/dbraw/zinc/69/96/30/562699630.db2.gz	LRQPSQBNOPSIOR-NRFANRHFSA-N	0	3	505.619	2.458	1	0		KEAFHN
CCN[C@@H]1CN(c2nc([N-]c3nc(SC)cc(-c4cc(OC)c(OC)c(OC)c4)n3)nc(N3CCO[C@H]([NH2+]CC)C3)n2)CCO1	ZINC000058581790	562699861	/nfs/dbraw/zinc/69/98/61/562699861.db2.gz	GWQBLLMEXHVBBQ-GOTSBHOMSA-N	0	3	642.787	2.364	1	0		KEAFHN
[NH2+]=C([N-]C(=O)CCCn1cc(CO)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1	ZINC000058583839	562700169	/nfs/dbraw/zinc/70/01/69/562700169.db2.gz	PKOSBEQUIDPYHS-GDLZYMKVSA-N	0	3	640.745	2.310	1	0		KEAFHN
CN(C)CCN([C@@H](CC(=O)[O-])C(=O)N1CCCC[C@H]1CCOC1CCN(C(N)=[NH2+])CC1)C1CCCCC1	ZINC000058589989	562700241	/nfs/dbraw/zinc/70/02/41/562700241.db2.gz	PSLPAJLOVQIPSO-UPVQGACJSA-N	0	3	522.735	2.172	1	0		KEAFHN
CCN[C@@H]1CN(c2nc([N-]c3nc(SC)cc(-c4ccc(OC)c(OC)c4)n3)nc(N3CCO[C@H]([NH2+]CC)C3)n2)CCO1	ZINC000058590622	562700344	/nfs/dbraw/zinc/70/03/44/562700344.db2.gz	CTFVKSUPXZTCPH-GOTSBHOMSA-N	0	3	612.761	2.356	1	0		KEAFHN
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(=O)c1ccc(OC)c(CCNC(=O)OC)c1)C(C)C	ZINC000062188921	562704333	/nfs/dbraw/zinc/70/43/33/562704333.db2.gz	ZSZRPUJYXHTOID-COPCDDAFSA-N	0	3	508.660	2.075	1	0		KEAFHN
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)S(=O)(=O)c1ccc(OC)c(OCCCOC)c1	ZINC000062188949	562704362	/nfs/dbraw/zinc/70/43/62/562704362.db2.gz	HKGJUUIKGOANAU-HJNYFJLDSA-N	0	3	531.716	2.140	1	0		KEAFHN
CC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCC(C)(C)C)C(C)(C)C	ZINC000066073667	562709510	/nfs/dbraw/zinc/70/95/10/562709510.db2.gz	CDOUUYCIEMHVDM-AMGAHSPLSA-N	0	3	619.873	2.431	1	0		KEAFHN
CCOC(=O)[C@@H]1COc2cc(CNC(=O)[C@H]3SCCN3C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)ccc2O1	ZINC000066076235	562710099	/nfs/dbraw/zinc/71/00/99/562710099.db2.gz	SOOMSOFJGXDQPT-QOFFVNHYSA-N	0	3	567.586	2.285	1	0		KEAFHN
CCOC(=O)[C@H]1COc2cc(CNC(=O)[C@H]3SCCN3C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)ccc2O1	ZINC000066076238	562710091	/nfs/dbraw/zinc/71/00/91/562710091.db2.gz	SOOMSOFJGXDQPT-XJDRPFMISA-N	0	3	567.586	2.285	1	0		KEAFHN
CCOC(=O)[C@@H]1COc2cc(CNC(=O)[C@@H]3SCCN3C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)ccc2O1	ZINC000066076242	562710095	/nfs/dbraw/zinc/71/00/95/562710095.db2.gz	SOOMSOFJGXDQPT-LREARKGRSA-N	0	3	567.586	2.285	1	0		KEAFHN
CCOC(=O)[C@H]1COc2cc(CNC(=O)[C@@H]3SCCN3C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)ccc2O1	ZINC000066076245	562710087	/nfs/dbraw/zinc/71/00/87/562710087.db2.gz	SOOMSOFJGXDQPT-PKHVTESESA-N	0	3	567.586	2.285	1	0		KEAFHN
CCOC(=O)[C@@H]1Oc2ccc(CNC(=O)[C@H]3SCCN3C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)cc2O1	ZINC000066111965	562711887	/nfs/dbraw/zinc/71/18/87/562711887.db2.gz	ATLYXUSEFJBBCU-GKLUMCFYSA-N	0	3	553.559	2.242	1	0		KEAFHN
CCOC(=O)[C@H]1Oc2ccc(CNC(=O)[C@H]3SCCN3C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)cc2O1	ZINC000066111966	562711919	/nfs/dbraw/zinc/71/19/19/562711919.db2.gz	ATLYXUSEFJBBCU-OJJCTEDXSA-N	0	3	553.559	2.242	1	0		KEAFHN
CCOC(=O)[C@@H]1Oc2ccc(CNC(=O)[C@@H]3SCCN3C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)cc2O1	ZINC000066111967	562711964	/nfs/dbraw/zinc/71/19/64/562711964.db2.gz	ATLYXUSEFJBBCU-AWKKRCEGSA-N	0	3	553.559	2.242	1	0		KEAFHN
CCOC(=O)[C@H]1Oc2ccc(CNC(=O)[C@@H]3SCCN3C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)cc2O1	ZINC000066111968	562711961	/nfs/dbraw/zinc/71/19/61/562711961.db2.gz	ATLYXUSEFJBBCU-JQRIVJTKSA-N	0	3	553.559	2.242	1	0		KEAFHN
NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000066123805	562712579	/nfs/dbraw/zinc/71/25/79/562712579.db2.gz	CKJLFFBHZULOJJ-MZBLVXSRSA-N	0	3	617.722	2.016	1	0		KEAFHN
NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000066123808	562712599	/nfs/dbraw/zinc/71/25/99/562712599.db2.gz	CKJLFFBHZULOJJ-QBHLCAJUSA-N	0	3	617.722	2.016	1	0		KEAFHN
NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000066123971	562712636	/nfs/dbraw/zinc/71/26/36/562712636.db2.gz	CKJLFFBHZULOJJ-KTBGKDHWSA-N	0	3	617.722	2.016	1	0		KEAFHN
NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000066123972	562712612	/nfs/dbraw/zinc/71/26/12/562712612.db2.gz	CKJLFFBHZULOJJ-NODASKEBSA-N	0	3	617.722	2.016	1	0		KEAFHN
CC[C@H](C)[C@H](C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](O)c2ccc(cc2)O[C@@H]1C(C)C)N(C)C	ZINC000070454157	560048655	/nfs/dbraw/zinc/04/86/55/560048655.db2.gz	STKZKAJIJHJDCQ-HPKJDOSXSA-N	0	3	552.716	2.442	1	0	biogenic,in-vitro	KEAFHN
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2[n-]1	ZINC000070631605	562716475	/nfs/dbraw/zinc/71/64/75/562716475.db2.gz	GUWAGEJINYNLRX-FMYROPPKSA-N	0	3	624.746	2.340	1	0		KEAFHN
COCCCOc1cc(CN(C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC	ZINC000070631612	562716491	/nfs/dbraw/zinc/71/64/91/562716491.db2.gz	GKGIFKZUIBKKDS-HJOGWXRNSA-N	0	3	552.757	2.299	1	0		KEAFHN
COc1cc([O-])c2c(c1Br)C(=O)OCCN(C(=O)[C@@H]([NH3+])CC(C)C)CC(=O)N[C@H](c1nc(C)no1)CSC2	ZINC000071280914	562716620	/nfs/dbraw/zinc/71/66/20/562716620.db2.gz	XNUXGIXIFVQXIF-HOTGVXAUSA-N	0	3	614.519	2.318	1	0		KEAFHN
CN(C)CCOc1cc(Cl)c(Cc2ncc(-c3ccco3)s2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000071281072	562716604	/nfs/dbraw/zinc/71/66/04/562716604.db2.gz	WPBGKEJPWROTAL-MWFZDGHISA-N	0	3	525.023	2.103	1	0		KEAFHN
CN(C)S(=O)(=O)c1ccc2cccc(N3CCN(CCCCN4C(=O)[C@@H]5CCCN5C4=O)CC3)c2c1	ZINC000071281763	562716696	/nfs/dbraw/zinc/71/66/96/562716696.db2.gz	UHMMBEZGUJTUOY-DEOSSOPVSA-N	0	3	513.664	2.419	1	0		KEAFHN
CN(C)S(=O)(=O)c1ccc2cccc(N3CCN(CCCCN4C(=O)[C@H]5CCCN5C4=O)CC3)c2c1	ZINC000071281766	562716783	/nfs/dbraw/zinc/71/67/83/562716783.db2.gz	UHMMBEZGUJTUOY-XMMPIXPASA-N	0	3	513.664	2.419	1	0		KEAFHN
CN(C)S(=O)(=O)c1ccc2c(cccc2N2CCN(CCCCN3C(=O)[C@@H]4CCCN4C3=O)CC2)c1	ZINC000071294505	562716958	/nfs/dbraw/zinc/71/69/58/562716958.db2.gz	CHKGLXIERQOHSM-DEOSSOPVSA-N	0	3	513.664	2.419	1	0		KEAFHN
CN(C)S(=O)(=O)c1ccc2c(cccc2N2CCN(CCCCN3C(=O)[C@H]4CCCN4C3=O)CC2)c1	ZINC000071294506	562716912	/nfs/dbraw/zinc/71/69/12/562716912.db2.gz	CHKGLXIERQOHSM-XMMPIXPASA-N	0	3	513.664	2.419	1	0		KEAFHN
CN(C)S(=O)(=O)c1cccc2c1cccc2N1CCN(CCCCN2C(=O)[C@@H]3CCCN3C2=O)CC1	ZINC000071295097	562717085	/nfs/dbraw/zinc/71/70/85/562717085.db2.gz	CWMGGYJOBLVFFV-QHCPKHFHSA-N	0	3	513.664	2.419	1	0		KEAFHN
CN(C)S(=O)(=O)c1cccc2c1cccc2N1CCN(CCCCN2C(=O)[C@H]3CCCN3C2=O)CC1	ZINC000071295098	562717088	/nfs/dbraw/zinc/71/70/88/562717088.db2.gz	CWMGGYJOBLVFFV-HSZRJFAPSA-N	0	3	513.664	2.419	1	0		KEAFHN
CCOCCN(C[C@@H](O)CN1CC[C@]2(CCN(c3ncnc4n[nH]c(C)c43)C2)C1)S(=O)(=O)c1c(C)cccc1C	ZINC000071316291	562717907	/nfs/dbraw/zinc/71/79/07/562717907.db2.gz	GHARCVPTJMBSSW-FIPFOOKPSA-N	0	3	571.748	2.269	1	0		KEAFHN
Cc1cccc(C)c1S(=O)(=O)NC[C@@H](O)CN1CCC[C@@]2(CCN(c3ncnc(N)c3C3CC3)C2)C1	ZINC000071317399	562718192	/nfs/dbraw/zinc/71/81/92/562718192.db2.gz	PFGJICLHMSNKCO-QFQXNSOFSA-N	0	3	514.696	2.185	1	0		KEAFHN
Nc1ncnc(N2CC[C@]3(C2)CCCN(C[C@H](O)CNS(=O)(=O)c2ccccc2Cl)C3)c1C1CC1	ZINC000071318168	562718437	/nfs/dbraw/zinc/71/84/37/562718437.db2.gz	DPDNOIBTWOGNOR-HOYKHHGWSA-N	0	3	521.087	2.221	1	0		KEAFHN
Nc1ncnc(N2CC[C@]3(C2)CCCN(C[C@H](O)CNS(=O)(=O)c2ccccc2Br)C3)c1C1CC1	ZINC000071318537	562718558	/nfs/dbraw/zinc/71/85/58/562718558.db2.gz	OMRQMUWXHMJUBD-HOYKHHGWSA-N	0	3	565.538	2.330	1	0		KEAFHN
Cc1ccc(S(=O)(=O)NC[C@@H](O)CN2CCC[C@@]3(CCN(c4ncnc(N)c4C4CC4)C3)C2)c(C)c1	ZINC000071319232	562718728	/nfs/dbraw/zinc/71/87/28/562718728.db2.gz	ZSHIEONBZRBQOM-QFQXNSOFSA-N	0	3	514.696	2.185	1	0		KEAFHN
Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](O)CN1CCC[C@@]2(CCN(c3ncnc(N)c3C3CC3)C2)C1	ZINC000071329626	562718911	/nfs/dbraw/zinc/71/89/11/562718911.db2.gz	HEZMJSCHVVUMNQ-CJFMBICVSA-N	0	3	518.659	2.015	1	0		KEAFHN
COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN2CCN(C)CC2)c(C)c1C	ZINC000071332757	562719426	/nfs/dbraw/zinc/71/94/26/562719426.db2.gz	OQXDJAIBJBOXEG-DEOSSOPVSA-N	0	3	516.708	2.264	1	0		KEAFHN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CN[C@H](C(=O)NC(C)(C)C)C1)S(=O)(=O)c1ccc(N)cc1	ZINC000071334001	562719523	/nfs/dbraw/zinc/71/95/23/562719523.db2.gz	BNIUZKCNOAMGRO-GYUKIKGESA-N	0	3	603.786	2.259	1	0		KEAFHN
N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1	ZINC000072116649	562723157	/nfs/dbraw/zinc/72/31/57/562723157.db2.gz	GMHKZIMGAIGPKD-PFBJBMPXSA-N	0	3	580.693	2.035	1	0		KEAFHN
N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1	ZINC000072116649	562723156	/nfs/dbraw/zinc/72/31/56/562723156.db2.gz	GMHKZIMGAIGPKD-PFBJBMPXSA-N	0	3	580.693	2.035	1	0		KEAFHN
N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1C[C@@H](C(=O)NCCc2cnc[nH]2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1	ZINC000072116828	562723248	/nfs/dbraw/zinc/72/32/48/562723248.db2.gz	QJKCHHJCLJVHPV-CYXNTTPDSA-N	0	3	576.101	2.207	1	0		KEAFHN
N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]cn2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1	ZINC000072116828	562723247	/nfs/dbraw/zinc/72/32/47/562723247.db2.gz	QJKCHHJCLJVHPV-CYXNTTPDSA-N	0	3	576.101	2.207	1	0		KEAFHN
C[C@H](N)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1	ZINC000072117078	562723339	/nfs/dbraw/zinc/72/33/39/562723339.db2.gz	OIXPLROAUZHIOG-NTUVXCKYSA-N	0	3	514.630	2.089	1	0		KEAFHN
N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@H](N)[C@@H](O)c1ccc(I)cc1	ZINC000072118185	562723448	/nfs/dbraw/zinc/72/34/48/562723448.db2.gz	IIYCHYIEBLWDPC-RCTAOEEJSA-N	0	3	586.474	2.066	1	0		KEAFHN
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](C(=O)NCCc2cnc[nH]2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1	ZINC000072119953	562723904	/nfs/dbraw/zinc/72/39/04/562723904.db2.gz	UHVQXPLXVUMDCZ-PFBJBMPXSA-N	0	3	580.693	2.035	1	0		KEAFHN
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]cn2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1	ZINC000072119953	562723903	/nfs/dbraw/zinc/72/39/03/562723903.db2.gz	UHVQXPLXVUMDCZ-PFBJBMPXSA-N	0	3	580.693	2.035	1	0		KEAFHN
C[C@@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O	ZINC000072123679	562724811	/nfs/dbraw/zinc/72/48/11/562724811.db2.gz	QUHPFWVYCKCMPQ-OOPVPMMOSA-N	0	3	613.759	2.438	1	0		KEAFHN
C[C@H](c1ccccc1)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O	ZINC000072123680	562724841	/nfs/dbraw/zinc/72/48/41/562724841.db2.gz	QUHPFWVYCKCMPQ-HHOYWZPISA-N	0	3	613.759	2.438	1	0		KEAFHN
NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000072123697	562724868	/nfs/dbraw/zinc/72/48/68/562724868.db2.gz	JVEYTUJAZDWBGO-AKOOALSVSA-N	0	3	656.759	2.498	1	0		KEAFHN
NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000072123698	562724851	/nfs/dbraw/zinc/72/48/51/562724851.db2.gz	JVEYTUJAZDWBGO-HJJSHCOASA-N	0	3	656.759	2.498	1	0		KEAFHN
NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000072127061	562725688	/nfs/dbraw/zinc/72/56/88/562725688.db2.gz	JVEYTUJAZDWBGO-LMHKMPGVSA-N	0	3	656.759	2.498	1	0		KEAFHN
NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000072127062	562725686	/nfs/dbraw/zinc/72/56/86/562725686.db2.gz	JVEYTUJAZDWBGO-VIXPBMNUSA-N	0	3	656.759	2.498	1	0		KEAFHN
CC[C@@H](O)[C@@](C)(O)[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(C)=O)[C@@]2(C)C[C@@H](C)[C@H](O2)[C@@H]1C	ZINC000072131729	562726867	/nfs/dbraw/zinc/72/68/67/562726867.db2.gz	OVUATHRELNLAFR-SDYMZTNJSA-N	0	3	601.778	2.269	1	0		KEAFHN
COc1cc(OC[C@H](O)CNCc2ccccc2)c2c(c1)O[C@@H]1COc3cc(OC)c(OC)cc3[C@]1(O)C2=O	ZINC000072177554	562731826	/nfs/dbraw/zinc/73/18/26/562731826.db2.gz	HNUMFCHSYKLDJH-DSTVDIHJSA-N	0	3	537.565	2.466	1	0		KEAFHN
COc1cc(OC[C@@H](O)CNCc2ccccc2)c2c(c1)O[C@@H]1COc3cc(OC)c(OC)cc3[C@]1(O)C2=O	ZINC000072177555	562731821	/nfs/dbraw/zinc/73/18/21/562731821.db2.gz	HNUMFCHSYKLDJH-REWSHJEUSA-N	0	3	537.565	2.466	1	0		KEAFHN
COc1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)NCCN(C)C)cc3)cc2)nc(N2CCOCC2)n1	ZINC000072177623	562731824	/nfs/dbraw/zinc/73/18/24/562731824.db2.gz	MPVZERIWUAYICQ-UHFFFAOYSA-N	0	3	520.594	2.319	1	0		KEAFHN
O=c1[nH]c2c(s1)c([C@@H](O)CNCCS(=O)(=O)CCC[NH2+]CCc1cccc(Cl)c1)ccc2[O-]	ZINC000072177797	562731887	/nfs/dbraw/zinc/73/18/87/562731887.db2.gz	HMSZGAMZVAVPLW-IBGZPJMESA-N	0	3	514.069	2.209	1	0		KEAFHN
Cc1ccc(C)c(N2CCN(C(=O)C[C@@H]([N-]S(=O)(=O)Cc3ccccc3)C(=O)N3CCC[C@H]3C(=O)NCc3ccc(C(N)=[NH2+])cc3)CC2)c1	ZINC000072178151	562731957	/nfs/dbraw/zinc/73/19/57/562731957.db2.gz	WUUKQSZMHJKYPC-JSOSNVBQSA-N	0	3	687.867	2.422	1	0		KEAFHN
NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)Cc2ccccc2)cc1	ZINC000072178453	562732082	/nfs/dbraw/zinc/73/20/82/562732082.db2.gz	VAMQUIIDPUWWSK-FTJBHMTQSA-N	0	3	547.681	2.309	1	0	in-vitro	KEAFHN
CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CCN(C(=O)C[C@H](N)Cc4cc(F)c(F)cc4F)[C@@H]3C2)c1	ZINC000072318546	562733291	/nfs/dbraw/zinc/73/32/91/562733291.db2.gz	USIYDIOPKBFAMU-LBUQITIBSA-N	0	3	509.550	2.140	1	0		KEAFHN
COC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O	ZINC000073164262	562734272	/nfs/dbraw/zinc/73/42/72/562734272.db2.gz	AAAGFCUDAXPDAA-CIQZPUONSA-N	0	3	519.589	2.035	1	0		KEAFHN
CC[C@H]1CN(c2nc(N)c(C(=O)NCCNS(C)(=O)=O)nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000073167327	562734612	/nfs/dbraw/zinc/73/46/12/562734612.db2.gz	BQOUEGKIAFOJQC-FQEVSTJZSA-N	0	3	613.616	2.210	1	0		KEAFHN
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C)N2CC[C@@](CC3CC3)(NC(C)=O)C2=O)c1	ZINC000073167887	562734633	/nfs/dbraw/zinc/73/46/33/562734633.db2.gz	PZJBTJGORPCYGH-OKDYYHMFSA-N	0	3	586.680	2.447	1	0		KEAFHN
CC(C)CNC(=O)[C@](O)(CN)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000084462617	562743195	/nfs/dbraw/zinc/74/31/95/562743195.db2.gz	LWGNWBAQJGRCGM-QTFZJSDKSA-N	0	3	713.921	2.241	1	0		KEAFHN
CC(C)CNC(=O)[C@](O)(CN)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000084462617	562743194	/nfs/dbraw/zinc/74/31/94/562743194.db2.gz	LWGNWBAQJGRCGM-QTFZJSDKSA-N	0	3	713.921	2.241	1	0		KEAFHN
COc1cc2ccc(C(C)(C)C)nc2c(N[C@@H](C)CCCNC(=O)C[C@@H](NC(=O)[C@H](N)CCC[NH3+])C(=O)[O-])c1	ZINC000084617024	562744696	/nfs/dbraw/zinc/74/46/96/562744696.db2.gz	NKTNKSWEOYRPSZ-UCNVEGJOSA-N	0	3	544.697	2.263	1	0		KEAFHN
COc1cc2ccc(C(C)(C)C)nc2c(N[C@H](C)CCCNC(=O)C[C@@H](NC(=O)[C@H](N)CCC[NH3+])C(=O)[O-])c1	ZINC000084617026	562744677	/nfs/dbraw/zinc/74/46/77/562744677.db2.gz	NKTNKSWEOYRPSZ-NQSCKRDGSA-N	0	3	544.697	2.263	1	0		KEAFHN
COc1cc2ccc(C(C)(C)C)nc2c(N[C@@H](C)CCCNC(=O)CC[C@@H](NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)[O-])c1	ZINC000084617031	562744751	/nfs/dbraw/zinc/74/47/51/562744751.db2.gz	BDVKFAZNLOFFRM-VLCRHTCISA-N	0	3	600.765	2.178	1	0		KEAFHN
COc1cc2ccc(C(C)(C)C)nc2c(N[C@H](C)CCCNC(=O)CC[C@@H](NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)[O-])c1	ZINC000084617033	562744797	/nfs/dbraw/zinc/74/47/97/562744797.db2.gz	BDVKFAZNLOFFRM-STZQEDGTSA-N	0	3	600.765	2.178	1	0		KEAFHN
COc1cc2ccc(C(C)(C)C)nc2c(N[C@@H](C)CCCNC(=O)C[C@H](NC(=O)[C@@H](N)CCC[NH3+])C(=O)[O-])c1	ZINC000084634012	562745842	/nfs/dbraw/zinc/74/58/42/562745842.db2.gz	NKTNKSWEOYRPSZ-XJABCFGWSA-N	0	3	544.697	2.263	1	0		KEAFHN
COc1cc2ccc(C(C)(C)C)nc2c(N[C@H](C)CCCNC(=O)C[C@H](NC(=O)[C@@H](N)CCC[NH3+])C(=O)[O-])c1	ZINC000084634014	562745803	/nfs/dbraw/zinc/74/58/03/562745803.db2.gz	NKTNKSWEOYRPSZ-AGHHOFFYSA-N	0	3	544.697	2.263	1	0		KEAFHN
COc1cc2ccc(C(C)(C)C)nc2c(N[C@@H](C)CCCNC(=O)CC[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)[O-])c1	ZINC000084634405	562745916	/nfs/dbraw/zinc/74/59/16/562745916.db2.gz	BDVKFAZNLOFFRM-NYVOZVTQSA-N	0	3	600.765	2.178	1	0		KEAFHN
COc1cc2ccc(C(C)(C)C)nc2c(N[C@H](C)CCCNC(=O)CC[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)[O-])c1	ZINC000084634408	562745902	/nfs/dbraw/zinc/74/59/02/562745902.db2.gz	BDVKFAZNLOFFRM-COPCDDAFSA-N	0	3	600.765	2.178	1	0		KEAFHN
CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2cc(Cl)ccc2Cl)CC1(C)C)C(=O)NCC(C)(C)C(N)=O	ZINC000084652822	562746673	/nfs/dbraw/zinc/74/66/73/562746673.db2.gz	RGHLIDXQDPTRFX-CUWPLCDZSA-N	0	3	558.551	2.399	1	0		KEAFHN
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3cnc(=O)[nH]c3)cc1)C(=O)N2c1cc(=O)[nH]cn1	ZINC000084669356	562747924	/nfs/dbraw/zinc/74/79/24/562747924.db2.gz	YIDRPJAESDFDSG-UHFFFAOYSA-N	0	3	538.568	2.232	1	0		KEAFHN
CC(C)[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](C(C)C)N(C)C)C(N)=O)N(C)C	ZINC000084670859	562748396	/nfs/dbraw/zinc/74/83/96/562748396.db2.gz	ZLLXFXKKMDXGIZ-ZZTWKDBPSA-N	0	3	717.956	2.322	1	0		KEAFHN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)/C(=C\NCCN(C)C)C(=O)N2	ZINC000084687574	562748929	/nfs/dbraw/zinc/74/89/29/562748929.db2.gz	KNIGEUREMJCUQT-PFSZDZEJSA-N	0	3	685.844	2.237	1	0		KEAFHN
CC(=O)N1CCC(C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCNCC4)c3)c2)CC1	ZINC000084704964	562749834	/nfs/dbraw/zinc/74/98/34/562749834.db2.gz	HQEIASUFWZAWFB-UHFFFAOYSA-N	0	3	501.595	2.284	1	0		KEAFHN
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(N3CCC3=O)cc1)C(=O)N2c1cc(=O)[nH]cn1	ZINC000084710682	562750512	/nfs/dbraw/zinc/75/05/12/562750512.db2.gz	OQZGBAAWFMGASB-UHFFFAOYSA-N	0	3	513.558	2.218	1	0		KEAFHN
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COCCCCCNC(=O)c3cc(cc(N(C)S(C)(=O)=O)c3)C(=O)N2)c1	ZINC000084758397	562752605	/nfs/dbraw/zinc/75/26/05/562752605.db2.gz	ODVXZEJXZBETHN-RRPNLBNLSA-N	0	3	574.744	2.385	1	0		KEAFHN
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC/C=C/CCNC(=O)c3cc(cc(N(C)S(C)(=O)=O)c3)C(=O)N2)c1	ZINC000084759552	562752978	/nfs/dbraw/zinc/75/29/78/562752978.db2.gz	MEKPYLBTTKGXAX-VDGLFCQGSA-N	0	3	572.728	2.161	1	0		KEAFHN
CN(c1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNCc1cccc(C(C)(C)C)c1)COC/C=C/CCNC2=O)S(C)(=O)=O	ZINC000084759553	562752985	/nfs/dbraw/zinc/75/29/85/562752985.db2.gz	MIJJZFPWMIQONO-OTQKIKBLSA-N	0	3	586.755	2.335	1	0		KEAFHN
C[NH2+]C[C@H](C[C@H](O)[C@H]1O[C@H](Oc2cc(OC)cc3cc(C)c(C(C)=O)c([O-])c32)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1	ZINC000085592546	560065673	/nfs/dbraw/zinc/06/56/73/560065673.db2.gz	AZEGRSWDNLOUTM-DRANVXIQSA-N	0	3	555.624	2.006	1	0	biogenic,in-vitro	KEAFHN
CN(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2ccc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000089469826	562753635	/nfs/dbraw/zinc/75/36/35/562753635.db2.gz	SXZVJXPNQRTMDB-GECPAALWSA-N	0	3	511.627	2.074	1	0		KEAFHN
CN(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@@H](n2ccc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000089469830	562753641	/nfs/dbraw/zinc/75/36/41/562753641.db2.gz	SXZVJXPNQRTMDB-FBHSLPMESA-N	0	3	511.627	2.074	1	0		KEAFHN
CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C[C@@H](CN(C)C)C=NN2C(=O)[C@H]2CCC=NN2C1=O	ZINC000095543545	562757302	/nfs/dbraw/zinc/75/73/02/562757302.db2.gz	XZXMFHPEUMXKID-MZNYQVFTSA-N	0	3	795.986	2.060	1	0		KEAFHN
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](C(=O)NCCN5CCOCC5)C4)cc3)nn3cccc23)n[nH]1	ZINC000095552840	562760805	/nfs/dbraw/zinc/76/08/05/562760805.db2.gz	UVNLAMSMBMXIJB-OAQYLSRUSA-N	0	3	604.741	2.364	1	0		KEAFHN
Cc1nccc2sc(-c3c(C)nc(NCCN(C)C)nc3N[C@@H]3C[C@H](C(C)(C)O)[C@@H](O)[C@H]3O)nc21	ZINC000095557514	562762155	/nfs/dbraw/zinc/76/21/55/562762155.db2.gz	UAJNXFZQIUBTOV-BWMZKYQQSA-N	0	3	501.657	2.032	1	0		KEAFHN
CNS(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1	ZINC000095558134	562762376	/nfs/dbraw/zinc/76/23/76/562762376.db2.gz	AMEQLQYPRVOFMB-OAHLLOKOSA-N	0	3	583.494	2.377	1	0		KEAFHN
CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)C(=O)N(C)C	ZINC000095558442	562762444	/nfs/dbraw/zinc/76/24/44/562762444.db2.gz	DYUXTUMLAFJFSB-QKNQBKEWSA-N	0	3	506.091	2.364	1	0		KEAFHN
CC(C)CNC(=O)[C@@](O)(CN)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000095561261	562763353	/nfs/dbraw/zinc/76/33/53/562763353.db2.gz	LWGNWBAQJGRCGM-HQAVLPSESA-N	0	3	713.921	2.241	1	0		KEAFHN
CC(C)CNC(=O)[C@@](O)(CN)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000095561261	562763352	/nfs/dbraw/zinc/76/33/52/562763352.db2.gz	LWGNWBAQJGRCGM-HQAVLPSESA-N	0	3	713.921	2.241	1	0		KEAFHN
CC1(O)CN(S(=O)(=O)c2ccc3c(C(=O)NC[C@@H](O)CN4CCC(Oc5ccc(Cl)c(Cl)c5)CC4)c[nH]c(=O)c3c2)C1	ZINC000095562162	562763594	/nfs/dbraw/zinc/76/35/94/562763594.db2.gz	QQODNMGQNZBOAF-QGZVFWFLSA-N	0	3	639.558	2.224	1	0		KEAFHN
NS(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1	ZINC000095563259	562763918	/nfs/dbraw/zinc/76/39/18/562763918.db2.gz	MUPZZNZQFUCJBT-CQSZACIVSA-N	0	3	569.467	2.116	1	0		KEAFHN
N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2nc(-n3c4ccccc4nc3C(F)F)nc(N3CCOCC3)n2)CC1	ZINC000095582061	562772409	/nfs/dbraw/zinc/77/24/09/562772409.db2.gz	VOPWCDJBVPMVLJ-FQEVSTJZSA-N	0	3	563.613	2.203	1	0		KEAFHN
CC[C@H](C)[C@H](N)C(=O)N1CCN(c2nc(-n3c4ccccc4nc3C(F)F)nc(N3CCOCC3)n2)CC1	ZINC000095582275	562772507	/nfs/dbraw/zinc/77/25/07/562772507.db2.gz	QGQJNXQVPVENJB-LPHOPBHVSA-N	0	3	529.596	2.007	1	0		KEAFHN
N[C@H](Cc1ccccc1)C(=O)N1CCN(c2nc(-n3c4ccccc4nc3C(F)F)nc(N3CCOCC3)n2)CC1	ZINC000095582405	562772535	/nfs/dbraw/zinc/77/25/35/562772535.db2.gz	VOPWCDJBVPMVLJ-HXUWFJFHSA-N	0	3	563.613	2.203	1	0		KEAFHN
COc1ccc(-c2ccc3c(n2)nc(N2C[C@@H](C)O[C@@H](C)C2)nc3N2CCOCC2)cc1CNCCO	ZINC000095587373	562774303	/nfs/dbraw/zinc/77/43/03/562774303.db2.gz	LMXFTHGDSOBFJQ-KDURUIRLSA-N	0	3	508.623	2.233	1	0		KEAFHN
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCC(=O)c2ccccc21)C1CCCCC1	ZINC000095593121	562776147	/nfs/dbraw/zinc/77/61/47/562776147.db2.gz	IGXOJMRPLSENQA-XXQBKKMUSA-N	0	3	537.705	2.169	1	0		KEAFHN
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CC(F)(F)CN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCC(F)(F)CC1	ZINC000095593239	562776143	/nfs/dbraw/zinc/77/61/43/562776143.db2.gz	IXDGXZUXUMFSFB-JFJSIVICSA-N	0	3	597.654	2.465	1	0		KEAFHN
COc1ccc(CN(C)C[C@H]2Oc3ccc(NS(C)(=O)=O)cc3CC(=O)N([C@@H](C)CO)C[C@H]2C)cc1	ZINC000095599468	562778119	/nfs/dbraw/zinc/77/81/19/562778119.db2.gz	LGLVDFRSUGWNCV-HHJKRLRDSA-N	0	3	519.664	2.348	1	0		KEAFHN
COc1ccc(CN(C)C[C@@H]2Oc3ccc(NS(C)(=O)=O)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1	ZINC000095600831	562779265	/nfs/dbraw/zinc/77/92/65/562779265.db2.gz	LGLVDFRSUGWNCV-RRQZXNHTSA-N	0	3	519.664	2.348	1	0		KEAFHN
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C[C@@H]1C=CCN2C(=O)CC[C@@H](CNCc3ccccc3)C(=O)N12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000095610881	562784666	/nfs/dbraw/zinc/78/46/66/562784666.db2.gz	OAMALLOMXOTFMA-KNMVEEHSSA-N	0	3	773.976	2.113	1	0		KEAFHN
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C[C@H]1C=CCN2C(=O)CC[C@@H](CNCc3ccccc3)C(=O)N12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000095610883	562784685	/nfs/dbraw/zinc/78/46/85/562784685.db2.gz	OAMALLOMXOTFMA-IWKGAPSESA-N	0	3	773.976	2.113	1	0		KEAFHN
CN1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(CC3CC3)(C(=O)NC(C)(C)C)CC2)C1	ZINC000095613302	562786230	/nfs/dbraw/zinc/78/62/30/562786230.db2.gz	HEJQNESOIJVHRX-BJKOFHAPSA-N	0	3	529.701	2.080	1	0		KEAFHN
CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)(C[C@@H]32)[C@@H]14	ZINC000095912442	560057146	/nfs/dbraw/zinc/05/71/46/560057146.db2.gz	VUTCZQISWNZQOW-ZYYSWALGSA-N	0	3	584.710	2.222	1	0	biogenic,in-vitro	KEAFHN
N[C@@H](CC(=O)N1CCc2c(nc(-c3cccs3)nc2C(F)(F)F)C1)CN1C(=O)CCC(F)(F)[C@H]1O	ZINC000096167453	562790470	/nfs/dbraw/zinc/79/04/70/562790470.db2.gz	ODHDKYQTZUUNJQ-JEOXALJRSA-N	0	3	519.496	2.402	1	0		KEAFHN
N[C@@H](CC(=O)N1CCc2c(nc(-c3ccc(F)cc3)nc2C(F)(F)F)C1)CN1C(=O)CCC(F)(F)[C@H]1O	ZINC000096167454	562790454	/nfs/dbraw/zinc/79/04/54/562790454.db2.gz	WRAFEJUBPSXFSJ-LHSJRXKWSA-N	0	3	531.457	2.480	1	0		KEAFHN
N[C@@H](CC(=O)N1CCc2c(nc(-c3cccs3)nc2C(F)(F)F)C1)CN1C(=O)CC[C@@H](F)[C@H]1O	ZINC000096167464	562790489	/nfs/dbraw/zinc/79/04/89/562790489.db2.gz	OWCVNVQDIPAUOO-SZZPBAKOSA-N	0	3	501.506	2.105	1	0		KEAFHN
N[C@@H](CC(=O)N1CCc2c(nc(-c3cccs3)nc2C(F)(F)F)C1)CN1C(=O)CC[C@@H](F)[C@@H]1O	ZINC000096167465	562790460	/nfs/dbraw/zinc/79/04/60/562790460.db2.gz	OWCVNVQDIPAUOO-SCLGINMFSA-N	0	3	501.506	2.105	1	0		KEAFHN
N[C@@H](CC(=O)N1CCc2c(nc(-c3cccs3)nc2C(F)(F)F)C1)CN1C(=O)CC[C@H](F)[C@H]1O	ZINC000096167466	562790468	/nfs/dbraw/zinc/79/04/68/562790468.db2.gz	OWCVNVQDIPAUOO-HGFQGUBDSA-N	0	3	501.506	2.105	1	0		KEAFHN
N[C@@H](CC(=O)N1CCc2c(nc(-c3cccs3)nc2C(F)(F)F)C1)CN1C(=O)CC[C@H](F)[C@@H]1O	ZINC000096167467	562790465	/nfs/dbraw/zinc/79/04/65/562790465.db2.gz	OWCVNVQDIPAUOO-LOOLNKMNSA-N	0	3	501.506	2.105	1	0		KEAFHN
CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NCC(C)(C)CO	ZINC000096270467	562793181	/nfs/dbraw/zinc/79/31/81/562793181.db2.gz	WLAHFWWGPAVVEZ-VCOUNFBDSA-N	0	3	511.107	2.252	1	0		KEAFHN
CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NC1CCOCC1	ZINC000096270503	562793272	/nfs/dbraw/zinc/79/32/72/562793272.db2.gz	ZROJSPHNVWGAGN-RRPUWOKSSA-N	0	3	509.091	2.413	1	0		KEAFHN
COC(=O)C(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(C)C	ZINC000096270506	562793239	/nfs/dbraw/zinc/79/32/39/562793239.db2.gz	YVMULRMGHZWOMN-VCOUNFBDSA-N	0	3	539.117	2.433	1	0		KEAFHN
O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCCCN1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO	ZINC000096282606	562794717	/nfs/dbraw/zinc/79/47/17/562794717.db2.gz	BGVTUNXMBJSZRS-XQQPTAJKSA-N	0	3	518.654	2.067	1	0		KEAFHN
O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	ZINC000096282609	562794705	/nfs/dbraw/zinc/79/47/05/562794705.db2.gz	QDXHUVWMIIQUEJ-RGTFROLJSA-N	0	3	518.654	2.067	1	0		KEAFHN
COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCS5)CO3)c2n1	ZINC000096284026	562795045	/nfs/dbraw/zinc/79/50/45/562795045.db2.gz	DRXUTILJOGAOMV-LHGREFERSA-N	0	3	502.568	2.389	1	0		KEAFHN
COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCS5)CO3)c2n1	ZINC000096284028	562795031	/nfs/dbraw/zinc/79/50/31/562795031.db2.gz	DGQXHLCSQRKIHE-LHGREFERSA-N	0	3	502.568	2.389	1	0		KEAFHN
Nc1cc(CN2CCC(C(=O)N3CCC(n4c5ccc(F)cc5n(CCN5CCOCC5)c4=O)CC3)CC2)ccn1	ZINC000096285294	562795460	/nfs/dbraw/zinc/79/54/60/562795460.db2.gz	KYGYDBWEUNNQKG-UHFFFAOYSA-N	0	3	565.694	2.327	1	0		KEAFHN
Nc1cc(CN2CCC(C(=O)N3CCC(n4c5ccccc5n(CCN5CCOCC5)c4=O)CC3)CC2)ccn1	ZINC000096285295	562795492	/nfs/dbraw/zinc/79/54/92/562795492.db2.gz	PVPHPEBVXPEONF-UHFFFAOYSA-N	0	3	547.704	2.188	1	0		KEAFHN
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3ccccc32)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C	ZINC000096285517	562795805	/nfs/dbraw/zinc/79/58/05/562795805.db2.gz	BGYFKRZCGFJTOF-BATDWUPUSA-N	0	3	566.680	2.254	1	0		KEAFHN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)/C(=C/NCCN(C)C)C(=O)N2	ZINC000096902295	562797326	/nfs/dbraw/zinc/79/73/26/562797326.db2.gz	KNIGEUREMJCUQT-RJRBJHNLSA-N	0	3	685.844	2.237	1	0		KEAFHN
CCN(CCNC(=O)c1cnc2cc(I)ccc2n1)CCOCCOCCOCCF	ZINC000096905506	562798486	/nfs/dbraw/zinc/79/84/86/562798486.db2.gz	UTCCSNWUOVPLPB-UHFFFAOYSA-N	0	3	548.397	2.305	1	0		KEAFHN
CCN(CCNC(=O)c1cnc2cc(I)ccc2n1)CCOCCOCCOCCOCCOCCOCCOCCF	ZINC000096905512	562798483	/nfs/dbraw/zinc/79/84/83/562798483.db2.gz	CKLSOYIJXFQMJM-UHFFFAOYSA-N	0	3	724.609	2.372	1	0		KEAFHN
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCCCn1cc(COCC23CC4CC(CC(C4)C2)C3)nn1	ZINC000096911259	562800156	/nfs/dbraw/zinc/80/01/56/562800156.db2.gz	OGAHBWBWPUWLKS-NLTICPCISA-N	0	3	520.715	2.111	1	0		KEAFHN
O=C(c1cc(F)c(F)cc1F)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1	ZINC000096926906	562802435	/nfs/dbraw/zinc/80/24/35/562802435.db2.gz	GTIKFZJTJQJHCM-UEQSERJNSA-N	0	3	502.574	2.198	1	0		KEAFHN
COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)[C@H]2c2ccc3nonc3c2)CC1	ZINC000100844349	562808199	/nfs/dbraw/zinc/80/81/99/562808199.db2.gz	VOXOJYXJGWUWQI-XMMPIXPASA-N	0	3	574.594	2.407	1	0		KEAFHN
COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)[C@@H]2c2ccc3nonc3c2)CC1	ZINC000100844351	562808190	/nfs/dbraw/zinc/80/81/90/562808190.db2.gz	VOXOJYXJGWUWQI-DEOSSOPVSA-N	0	3	574.594	2.407	1	0		KEAFHN
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O	ZINC000101127153	562809328	/nfs/dbraw/zinc/80/93/28/562809328.db2.gz	UJKOQKDKEVRFHE-MRXNPFEDSA-N	0	3	530.000	2.301	1	0		KEAFHN
Cn1c(NCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000103208088	562816544	/nfs/dbraw/zinc/81/65/44/562816544.db2.gz	IKOKSFFWUGZELJ-UHFFFAOYSA-N	0	3	501.635	2.180	1	0		KEAFHN
O=C1NC(=O)C(c2nn(CCCN3CCOCC3)c3ncccc23)=C1c1cn(CCCN2CCOCC2)c2ccccc12	ZINC000103233905	562818565	/nfs/dbraw/zinc/81/85/65/562818565.db2.gz	JDXHICGJWBQDKQ-UHFFFAOYSA-N	0	3	583.693	2.398	1	0		KEAFHN
C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(N)[C@@H]1O)Oc1ccccc1)C(=O)OC1CCCCCCC1	ZINC000103266282	562822289	/nfs/dbraw/zinc/82/22/89/562822289.db2.gz	SEXODVYSVVTXFN-SWISVEROSA-N	0	3	594.602	2.350	1	0		KEAFHN
C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(N)[C@@H]1O)Oc1ccccc1)C(=O)OC1CCCCCCC1	ZINC000103266284	562822252	/nfs/dbraw/zinc/82/22/52/562822252.db2.gz	SEXODVYSVVTXFN-VNHJONDSSA-N	0	3	594.602	2.350	1	0		KEAFHN
CN(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C[C@H]1O[C@@H](n2ccc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000103295982	562824553	/nfs/dbraw/zinc/82/45/53/562824553.db2.gz	TVKJKKLGQJCFQK-GSTLAZBSSA-N	0	3	558.639	2.493	1	0		KEAFHN
COC1CCN(CCN2CCC[C@H](n3nc(C(=O)N4CCOCC4)c4c3-c3ccc(F)cc3S(=O)(=O)C4)C2)CC1	ZINC000112940302	562825579	/nfs/dbraw/zinc/82/55/79/562825579.db2.gz	FGJSGEOFFFKFLV-NRFANRHFSA-N	0	3	575.707	2.197	1	0		KEAFHN
COCCCN1CCC[C@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)CC1	ZINC000112940658	562825662	/nfs/dbraw/zinc/82/56/62/562825662.db2.gz	HDMREEQKEGNABS-IBGZPJMESA-N	0	3	502.637	2.373	1	0		KEAFHN
COCCCN1CCC[C@@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)CC1	ZINC000112940660	562825638	/nfs/dbraw/zinc/82/56/38/562825638.db2.gz	HDMREEQKEGNABS-LJQANCHMSA-N	0	3	502.637	2.373	1	0		KEAFHN
COc1ccc2c(c1)S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn([C@H]3CCCN(CCN4CCC(F)CC4)C3)c1-2	ZINC000112940682	562825623	/nfs/dbraw/zinc/82/56/23/562825623.db2.gz	PHAJRAXPUGWQRH-NRFANRHFSA-N	0	3	575.707	2.389	1	0		KEAFHN
O=C(c1nn(-c2ccc(CN[C@@H]3CCOC3)cc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112940685	562825634	/nfs/dbraw/zinc/82/56/34/562825634.db2.gz	DVJHHRDBSCMRFO-LJQANCHMSA-N	0	3	508.600	2.178	1	0		KEAFHN
O=C(c1nn(-c2ccc(CN[C@H]3CCOC3)cc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112940688	562825659	/nfs/dbraw/zinc/82/56/59/562825659.db2.gz	DVJHHRDBSCMRFO-IBGZPJMESA-N	0	3	508.600	2.178	1	0		KEAFHN
CN1CCC[C@H](N2CCC[C@H](n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)C2)C1	ZINC000112940715	562825632	/nfs/dbraw/zinc/82/56/32/562825632.db2.gz	CDBZWHCUAHJXIC-PMACEKPBSA-N	0	3	513.664	2.041	1	0		KEAFHN
CN1CCC[C@@H](N2CCC[C@H](n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)C2)C1	ZINC000112940718	562825628	/nfs/dbraw/zinc/82/56/28/562825628.db2.gz	CDBZWHCUAHJXIC-UXHICEINSA-N	0	3	513.664	2.041	1	0		KEAFHN
COC1CCN(CCN2CCC[C@H](n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)C2)CC1	ZINC000112940721	562825656	/nfs/dbraw/zinc/82/56/56/562825656.db2.gz	ISLVPOPCAGBKHP-NRFANRHFSA-N	0	3	557.717	2.058	1	0		KEAFHN
O=C(c1nn([C@@H]2CCN(CCC3CCOCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112941155	562825730	/nfs/dbraw/zinc/82/57/30/562825730.db2.gz	XGBDKCNPCGGPBO-HXUWFJFHSA-N	0	3	514.648	2.373	1	0		KEAFHN
O=C(c1nn([C@H]2CCN(CCC3CCOCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112941158	562825693	/nfs/dbraw/zinc/82/56/93/562825693.db2.gz	XGBDKCNPCGGPBO-FQEVSTJZSA-N	0	3	514.648	2.373	1	0		KEAFHN
O=C(c1nn([C@@H]2CCCN(CC3CCOCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112941289	562825770	/nfs/dbraw/zinc/82/57/70/562825770.db2.gz	NLZNQTSAEGRBEQ-HXUWFJFHSA-N	0	3	514.648	2.373	1	0		KEAFHN
O=C(c1nn([C@H]2CCCN(CC3CCOCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112941292	562825799	/nfs/dbraw/zinc/82/57/99/562825799.db2.gz	NLZNQTSAEGRBEQ-FQEVSTJZSA-N	0	3	514.648	2.373	1	0		KEAFHN
O=C(c1nn([C@H]2CCCN(CCN3CCC(F)CC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112941774	562825889	/nfs/dbraw/zinc/82/58/89/562825889.db2.gz	BDQJIUXJPAJLOX-NRFANRHFSA-N	0	3	545.681	2.381	1	0		KEAFHN
O=C(c1nn([C@@H]2CCCN(CCN3CCC(F)CC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112941776	562825826	/nfs/dbraw/zinc/82/58/26/562825826.db2.gz	BDQJIUXJPAJLOX-OAQYLSRUSA-N	0	3	545.681	2.381	1	0		KEAFHN
O=C(c1nn([C@H]2CCCN(CCN3CCCCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112942608	562825936	/nfs/dbraw/zinc/82/59/36/562825936.db2.gz	MGWPOIMLIUPKNZ-NRFANRHFSA-N	0	3	527.691	2.433	1	0		KEAFHN
O=C(c1nn([C@H]2CCCN(CCN3CCCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112942794	562825903	/nfs/dbraw/zinc/82/59/03/562825903.db2.gz	BJNCOVPPPKXBBA-FQEVSTJZSA-N	0	3	513.664	2.043	1	0		KEAFHN
COCCN(C)Cc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)cc1	ZINC000112943025	562826015	/nfs/dbraw/zinc/82/60/15/562826015.db2.gz	QBURVOCVNFVRQH-UHFFFAOYSA-N	0	3	510.616	2.377	1	0		KEAFHN
O=C(c1nn(C2CCC(CN3CCOCC3)CC2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112943323	562826049	/nfs/dbraw/zinc/82/60/49/562826049.db2.gz	CDCYZIADQZZXOR-UHFFFAOYSA-N	0	3	514.648	2.373	1	0		KEAFHN
CN1CCC(N2CCC[C@H](n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)C2)CC1	ZINC000112943449	562826037	/nfs/dbraw/zinc/82/60/37/562826037.db2.gz	JGMSAJQEYJEURV-FQEVSTJZSA-N	0	3	513.664	2.041	1	0		KEAFHN
COc1ccc(C2(O)CCN(C)CC2)cc1[C@H]1CN(c2nc(-c3ccncc3F)cc(=O)n2C)CCO1	ZINC000113089222	562826135	/nfs/dbraw/zinc/82/61/35/562826135.db2.gz	RGFPBWKTHXNVEH-XMMPIXPASA-N	0	3	509.582	2.481	1	0		KEAFHN
Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(OC[C@@H](O)CN3CCCC3)cc2)C1	ZINC000113089383	562826165	/nfs/dbraw/zinc/82/61/65/562826165.db2.gz	SUENTNCHFROTMG-NBGIEHNGSA-N	0	3	509.582	2.395	1	0		KEAFHN
COc1ccc(Nc2ncc([C@@H](N)c3ccc(S(=O)(=O)N(C)C)cc3)cc2-c2nc(C)nc(N)n2)cn1	ZINC000113240989	562826384	/nfs/dbraw/zinc/82/63/84/562826384.db2.gz	AFNXFVRFKXIJTK-NRFANRHFSA-N	0	3	521.607	2.270	1	0		KEAFHN
COc1ccc(Nc2ncc([C@H](N)c3ccc(S(=O)(=O)N(C)C)cc3)cc2-c2nc(C)nc(N)n2)cn1	ZINC000113240990	562826393	/nfs/dbraw/zinc/82/63/93/562826393.db2.gz	AFNXFVRFKXIJTK-OAQYLSRUSA-N	0	3	521.607	2.270	1	0		KEAFHN
COc1cc([C@@]2(O)CCNC[C@@H]2O)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1	ZINC000114008292	562826908	/nfs/dbraw/zinc/82/69/08/562826908.db2.gz	ZGEHEWCTKGNYEX-AHWVRZQESA-N	0	3	538.630	2.086	1	0		KEAFHN
Cc1nonc1C(=O)Nc1n[nH]c2c1CN(C(=O)N1C[C@@H](C)N(CC3CCOCC3)C[C@@H]1C)C2(C)C	ZINC000114182426	562827830	/nfs/dbraw/zinc/82/78/30/562827830.db2.gz	RCXHIRPZGMVEDY-CABCVRRESA-N	0	3	500.604	2.345	1	0		KEAFHN
CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5CNC[C@@H](C4)O5)cn3)nc2n1C1CCCC1	ZINC000118591877	562830446	/nfs/dbraw/zinc/83/04/46/562830446.db2.gz	LBAZDXGDLBZRAG-BGYRXZFFSA-N	0	3	504.595	2.200	1	0		KEAFHN
CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5CC[C@@H](C4)N5C(=O)CN)cn3)nc2n1C1CCCC1	ZINC000118594348	562830461	/nfs/dbraw/zinc/83/04/61/562830461.db2.gz	QDMFIGBWXRJFHJ-OYRHEFFESA-N	0	3	545.648	2.161	1	0		KEAFHN
CCN1CCN(c2ccc(NC(=O)N3CCc4c3nc(N3CCOCC3)nc4-c3cnc(N)nc3)c(C)c2)CC1	ZINC000118758148	562830516	/nfs/dbraw/zinc/83/05/16/562830516.db2.gz	HIPZDRDXQLICSG-UHFFFAOYSA-N	0	3	544.664	2.397	1	0		KEAFHN
CNC(=O)c1ccc(CNc2nc(NCCN3CCN(C)CC3)nc(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1	ZINC000141098963	562833485	/nfs/dbraw/zinc/83/34/85/562833485.db2.gz	MXXSSNCJCUEFQM-UHFFFAOYSA-N	0	3	575.718	2.083	1	0		KEAFHN
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OC)c(C(C)C)cn2)C2CC2)[C@@H]1O	ZINC000143793771	562835293	/nfs/dbraw/zinc/83/52/93/562835293.db2.gz	NVZGHXFOSFAGKS-LLHPUKMZSA-N	0	3	504.672	2.473	1	0		KEAFHN
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OCC)c(CC)cn2)C2CC2)[C@@H]1O	ZINC000143793999	562835283	/nfs/dbraw/zinc/83/52/83/562835283.db2.gz	WHWGFMLDIJTFCO-XBZNOJLSSA-N	0	3	504.672	2.302	1	0		KEAFHN
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)(C)OC)cn2)C2CC2)[C@@H]1O	ZINC000144065457	562835695	/nfs/dbraw/zinc/83/56/95/562835695.db2.gz	LCKJHNVSFHSWNK-CNIHBODFSA-N	0	3	504.672	2.222	1	0		KEAFHN
CN(CCO)CCOc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1	ZINC000145266267	562836976	/nfs/dbraw/zinc/83/69/76/562836976.db2.gz	PAKQGBPCPDFGNM-UHFFFAOYSA-N	0	3	530.633	2.454	1	0		KEAFHN
NC[C@@]1(F)C[C@@H](C(=O)NCc2cccc(Cl)c2F)N(C(=O)Cc2cn(C(N)=O)c3ccccc23)C1	ZINC000148236483	562840649	/nfs/dbraw/zinc/84/06/49/562840649.db2.gz	JVBORAPWZFKHKE-CYFREDJKSA-N	0	3	503.937	2.487	1	0		KEAFHN
Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1Nc1ncnc2cnc(N3CCNCC3)nc21	ZINC000148252156	562840726	/nfs/dbraw/zinc/84/07/26/562840726.db2.gz	AIPXGDHQHFTABL-UHFFFAOYSA-N	0	3	547.645	2.384	1	0		KEAFHN
CO[C@H]1[C@H](N)CN(C(=O)Nc2cn(C(N)=O)c3ccccc23)[C@@H]1C(=O)NCc1cccc(Cl)c1F	ZINC000148396809	562841247	/nfs/dbraw/zinc/84/12/47/562841247.db2.gz	OXOUSURATKQIJS-XPGWFJOJSA-N	0	3	502.934	2.235	1	0		KEAFHN
N[C@H]1CO[C@H]1COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149151641	562842241	/nfs/dbraw/zinc/84/22/41/562842241.db2.gz	RAACSHYFBZCXSM-PSIJGNRBSA-N	0	3	564.618	2.404	1	0		KEAFHN
N[C@@H]1CO[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149153864	562842271	/nfs/dbraw/zinc/84/22/71/562842271.db2.gz	RAACSHYFBZCXSM-AUHLQLFFSA-N	0	3	564.618	2.404	1	0		KEAFHN
N[C@H]1CO[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149243959	562842565	/nfs/dbraw/zinc/84/25/65/562842565.db2.gz	RAACSHYFBZCXSM-NZFVVWBWSA-N	0	3	564.618	2.404	1	0		KEAFHN
N[C@@H]1CO[C@H]1COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149349219	562842635	/nfs/dbraw/zinc/84/26/35/562842635.db2.gz	RAACSHYFBZCXSM-LDMUXNMWSA-N	0	3	564.618	2.404	1	0		KEAFHN
CC[C@@H]1NC(C(=O)Nc2n[nH]c3c2CN(C(=O)N2CCN(CC4CCOCC4)C[C@@H]2C)C3(C)C)=CO1	ZINC000149540894	562842677	/nfs/dbraw/zinc/84/26/77/562842677.db2.gz	VOJNLZVUSHQQNW-OXJNMPFZSA-N	0	3	501.632	2.149	1	0		KEAFHN
CC[C@H]1NC(C(=O)Nc2n[nH]c3c2CN(C(=O)N2CCN(CC4CCOCC4)C[C@@H]2C)C3(C)C)=CO1	ZINC000149541111	562842680	/nfs/dbraw/zinc/84/26/80/562842680.db2.gz	VOJNLZVUSHQQNW-JXFKEZNVSA-N	0	3	501.632	2.149	1	0		KEAFHN
CNC[C@@H](Nc1ncnc2c1=CCCC=2C(N)=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1	ZINC000166934620	562850513	/nfs/dbraw/zinc/85/05/13/562850513.db2.gz	AADMVMUUAFAHRV-OAQYLSRUSA-N	0	3	510.520	2.331	1	0		KEAFHN
CNC[C@H](Nc1ncnc2c1=CCCC=2C(N)=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1	ZINC000166934729	562850483	/nfs/dbraw/zinc/85/04/83/562850483.db2.gz	AADMVMUUAFAHRV-NRFANRHFSA-N	0	3	510.520	2.331	1	0		KEAFHN
CN1CCN(CCCNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)Nc2ncc(Br)s2)C32CC2)CC1	ZINC000168469818	562851397	/nfs/dbraw/zinc/85/13/97/562851397.db2.gz	YTQGBFQHRCMNFT-CYGHRXIMSA-N	0	3	508.486	2.426	1	0		KEAFHN
COc1ccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)cc1CNCCO	ZINC000168710039	562851534	/nfs/dbraw/zinc/85/15/34/562851534.db2.gz	YPGCYUPZBDGOEX-OALUTQOASA-N	0	3	508.623	2.233	1	0		KEAFHN
COCCCOc1ccccc1C1CCN(C[C@H](N)[C@@H](O)C[C@@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)CC1	ZINC000169290829	562851810	/nfs/dbraw/zinc/85/18/10/562851810.db2.gz	QPWJPASOXZROBN-DSITVLBTSA-N	0	3	534.742	2.260	1	0		KEAFHN
COCCCOc1ccccc1C1CCN(C[C@H](N)[C@H](O)C[C@@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)CC1	ZINC000169290830	562851819	/nfs/dbraw/zinc/85/18/19/562851819.db2.gz	QPWJPASOXZROBN-DSNGMDLFSA-N	0	3	534.742	2.260	1	0		KEAFHN
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc(-c2ccccc2)cc1	ZINC000169330896	562858754	/nfs/dbraw/zinc/85/87/54/562858754.db2.gz	SIWMJMKSDWSOJS-GSDHBNRESA-N	0	3	544.656	2.304	1	0		KEAFHN
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc(-c2ccccc2)cc1	ZINC000169330897	562858828	/nfs/dbraw/zinc/85/88/28/562858828.db2.gz	SIWMJMKSDWSOJS-NXCFDTQHSA-N	0	3	544.656	2.304	1	0		KEAFHN
CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)NCCO)[C@@H]1O)[C@@H]32	ZINC000169330924	562858826	/nfs/dbraw/zinc/85/88/26/562858826.db2.gz	AJUBQFITBGMEDN-ICJOCJBCSA-N	0	3	797.994	2.356	1	0		KEAFHN
CCOCCN(C[C@@H](O)CN1CC[C@@]2(CCN(c3ncnc4n[nH]c(C)c43)C2)C1)S(=O)(=O)c1c(C)cccc1C	ZINC000169354389	562863648	/nfs/dbraw/zinc/86/36/48/562863648.db2.gz	GHARCVPTJMBSSW-NEKDWFFYSA-N	0	3	571.748	2.269	1	0		KEAFHN
CCN[C@H]1CN(c2nc([N-]c3nc(SC)cc(-c4ccc(OC)c(OC)c4)n3)nc(N3CCO[C@@H]([NH2+]CC)C3)n2)CCO1	ZINC000169356675	562863862	/nfs/dbraw/zinc/86/38/62/562863862.db2.gz	CTFVKSUPXZTCPH-DHIUTWEWSA-N	0	3	612.761	2.356	1	0		KEAFHN
CCN[C@H]1CN(c2nc([N-]c3nc(SC)cc(-c4ccc(OC)c(OC)c4)n3)nc(N3CCO[C@@H](NCC)C3)n2)CCO1	ZINC000169356675	562863861	/nfs/dbraw/zinc/86/38/61/562863861.db2.gz	CTFVKSUPXZTCPH-DHIUTWEWSA-N	0	3	612.761	2.356	1	0		KEAFHN
CCN[C@H]1CN(c2nc([N-]c3nc(SC)cc(-c4cc(OC)c(OC)c(OC)c4)n3)nc(N3CCO[C@@H]([NH2+]CC)C3)n2)CCO1	ZINC000169356949	562863883	/nfs/dbraw/zinc/86/38/83/562863883.db2.gz	GWQBLLMEXHVBBQ-DHIUTWEWSA-N	0	3	642.787	2.364	1	0		KEAFHN
CN(C)c1ccc(NC(=O)[C@@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@@H](O6)C2=O)cc1	ZINC000169694457	562865271	/nfs/dbraw/zinc/86/52/71/562865271.db2.gz	CVBDVAGENCBLPX-LKAHNZHJSA-N	0	3	503.599	2.456	1	0		KEAFHN
CN(C)c1ccc(NC(=O)[C@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@@H](O6)C2=O)cc1	ZINC000169694458	562865334	/nfs/dbraw/zinc/86/53/34/562865334.db2.gz	CVBDVAGENCBLPX-BCTJHDQDSA-N	0	3	503.599	2.456	1	0		KEAFHN
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@@H](O6)C2=O)c1	ZINC000169694475	562865287	/nfs/dbraw/zinc/86/52/87/562865287.db2.gz	VFZWXANKGZKMBN-HXNQSLHHSA-N	0	3	625.744	2.429	1	0		KEAFHN
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@@H](O6)C2=O)c1	ZINC000169694476	562865303	/nfs/dbraw/zinc/86/53/03/562865303.db2.gz	VFZWXANKGZKMBN-XQUFHJPDSA-N	0	3	625.744	2.429	1	0		KEAFHN
CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CCN(C(=O)C[C@@H](N)Cc4cc(F)c(F)cc4F)[C@@H]3C2)c1	ZINC000169703976	562868909	/nfs/dbraw/zinc/86/89/09/562868909.db2.gz	USIYDIOPKBFAMU-GIMINZRKSA-N	0	3	509.550	2.140	1	0		KEAFHN
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NCc1ccc(CN(C)C)cc1	ZINC000204199538	562874375	/nfs/dbraw/zinc/87/43/75/562874375.db2.gz	ZJLYONIWSJARJS-IDNYDCHQSA-N	0	3	579.742	2.424	1	0		KEAFHN
O=c1ccc(-c2cccc(F)c2)nn1C[C@@H]1CN(c2ncc(-c3cnn(C4CCN(CCO)CC4)c3)cn2)CCO1	ZINC000205720524	562875772	/nfs/dbraw/zinc/87/57/72/562875772.db2.gz	KARZYTQDIOCJQW-SANMLTNESA-N	0	3	560.634	2.238	1	0		KEAFHN
Cc1noc(C)c1S(=O)(=O)[N-]c1c(=O)c(=O)c1N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000221806520	562879268	/nfs/dbraw/zinc/87/92/68/562879268.db2.gz	WFHJESWCVOQIPR-UHFFFAOYSA-N	0	3	512.510	2.466	1	0	in-vitro	KEAFHN
C[C@@H](CN1C(=O)c2c3c(c([O-])c(=O)n2[C@@]12CC[C@H]1C[C@H]12)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3)OC(=O)[C@@H](N)CCCC[NH3+]	ZINC000222573504	562879848	/nfs/dbraw/zinc/87/98/48/562879848.db2.gz	LINMWRMCHYVPQQ-WDZPDFRVSA-N	0	3	630.117	2.471	1	0		KEAFHN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OC(C)(C)C	ZINC000299823660	562882992	/nfs/dbraw/zinc/88/29/92/562882992.db2.gz	SFNAXFBFWDPHII-DXSZVSTRSA-N	0	3	617.792	2.425	1	0		KEAFHN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C[C@H]1C=NC=N1)NC(=O)OC(C)(C)C	ZINC000299823660	562882991	/nfs/dbraw/zinc/88/29/91/562882991.db2.gz	SFNAXFBFWDPHII-DXSZVSTRSA-N	0	3	617.792	2.425	1	0		KEAFHN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OC(C)(C)C	ZINC000299823662	562883010	/nfs/dbraw/zinc/88/30/10/562883010.db2.gz	SFNAXFBFWDPHII-JDQZSELDSA-N	0	3	617.792	2.425	1	0		KEAFHN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C[C@@H]1C=NC=N1)NC(=O)OC(C)(C)C	ZINC000299823662	562883009	/nfs/dbraw/zinc/88/30/09/562883009.db2.gz	SFNAXFBFWDPHII-JDQZSELDSA-N	0	3	617.792	2.425	1	0		KEAFHN
COC(=O)CC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]2[C@H](N3CC[C@@H](O)C3)CCC[C@@H]21	ZINC000299832817	562885956	/nfs/dbraw/zinc/88/59/56/562885956.db2.gz	UCUBPXJOIVMFGZ-AYFLJRIOSA-N	0	3	512.434	2.126	1	0		KEAFHN
COC(=O)CC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]2[C@H](N3CC[C@H](O)C3)CCC[C@H]21	ZINC000299832818	562885944	/nfs/dbraw/zinc/88/59/44/562885944.db2.gz	UCUBPXJOIVMFGZ-FROCWPDGSA-N	0	3	512.434	2.126	1	0		KEAFHN
COC(=O)CC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]2[C@H](N3CC[C@H](O)C3)CCC[C@@H]21	ZINC000299832819	562886001	/nfs/dbraw/zinc/88/60/01/562886001.db2.gz	UCUBPXJOIVMFGZ-MDTICMOCSA-N	0	3	512.434	2.126	1	0		KEAFHN
COC(=O)CC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]2[C@H](N3CC[C@@H](O)C3)CCC[C@H]21	ZINC000299832822	562886011	/nfs/dbraw/zinc/88/60/11/562886011.db2.gz	UCUBPXJOIVMFGZ-UFRIGAJXSA-N	0	3	512.434	2.126	1	0		KEAFHN
CC(C)C(=O)OCOC(=O)C1=C(S[C@@H]2CN[C@H](C(=O)Nc3cccc(C(=O)OCOC(=O)C(C)C)c3)C2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12	ZINC000299833609	562886233	/nfs/dbraw/zinc/88/62/33/562886233.db2.gz	HTQLDICYTSDZJY-OHUINNRQSA-N	0	3	675.757	2.171	1	0		KEAFHN
CCOC(=O)C1=C(S[C@@H]2CN[C@H](C(=O)Nc3cccc(C(=O)OCC)c3)C2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)OC(C)=O)C(=O)N12	ZINC000299834590	562886492	/nfs/dbraw/zinc/88/64/92/562886492.db2.gz	JZOCEOALEGKRJM-GRZHXSAHSA-N	0	3	573.668	2.469	1	0		KEAFHN
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)[C@@H](N)Cc2ccc(O)cc2)C[C@@H]1c1ccccc1	ZINC000299836056	562887027	/nfs/dbraw/zinc/88/70/27/562887027.db2.gz	YGXYTRHKKXBBAH-OWIQAHIBSA-N	0	3	647.776	2.445	1	0		KEAFHN
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)[C@@H](N)Cc2ccc(O)cc2)C[C@H]1c1ccccc1	ZINC000299836058	562887032	/nfs/dbraw/zinc/88/70/32/562887032.db2.gz	YGXYTRHKKXBBAH-VLGXOXMCSA-N	0	3	647.776	2.445	1	0		KEAFHN
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)C(=O)N[C@@H](C)/C=C/C(=O)N[C@@H](C)C(=O)Nc1nccs1	ZINC000299836189	562887081	/nfs/dbraw/zinc/88/70/81/562887081.db2.gz	MVHRPYDAWTWALI-ZGBNHBFISA-N	0	3	621.849	2.295	1	0		KEAFHN
CC(C)(C(=O)N1CCN(c2noc(-c3cc(F)c(OC[C@@H](N)CO)cc3Cl)n2)CC1)C(F)(F)F	ZINC000299836252	562887064	/nfs/dbraw/zinc/88/70/64/562887064.db2.gz	MPHXWBLICPVOPY-NSHDSACASA-N	0	3	509.888	2.465	1	0		KEAFHN
CCc1cccnc1C(=O)N1CCN(c2noc(-c3cc(F)c(OC[C@@H](N)CO)cc3Cl)n2)CC1	ZINC000299836672	562887298	/nfs/dbraw/zinc/88/72/98/562887298.db2.gz	OJHSIFDJDIZPRA-HNNXBMFYSA-N	0	3	504.950	2.147	1	0		KEAFHN
COC1=CC(=O)N(C(=O)CC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)[C@H]1C	ZINC000299840330	562888520	/nfs/dbraw/zinc/88/85/20/562888520.db2.gz	UZYHGLKAAJBPRY-DIEJLHDWSA-N	0	3	579.783	2.207	1	0		KEAFHN
CO[C@H]1CC(=O)N(C(=O)CC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)[C@H]1C	ZINC000299841321	562888830	/nfs/dbraw/zinc/88/88/30/562888830.db2.gz	ZFIFRMIIWYYKND-IPTDFQASSA-N	0	3	581.799	2.082	1	0		KEAFHN
CCc1cc2c(nc1CNC13CCC(C[C@]4(O)Cn5c6c4c(F)cnc6ccc5=O)(CC1)OC3)NC(=O)CO2	ZINC000299850165	562890591	/nfs/dbraw/zinc/89/05/91/562890591.db2.gz	AYNCIMIRTSWSCP-LADMEODRSA-N	0	3	535.576	2.287	1	0		KEAFHN
CN1CCN(C)c2nc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)ccc21	ZINC000299851429	562890720	/nfs/dbraw/zinc/89/07/20/562890720.db2.gz	GGCURDKWNJTQOD-LADMEODRSA-N	0	3	520.609	2.280	1	0		KEAFHN
CN1CCOc2ccc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)nc21	ZINC000299852296	562890911	/nfs/dbraw/zinc/89/09/11/562890911.db2.gz	PZHIKTHSEKCXFA-RCSZBHJWSA-N	0	3	507.566	2.222	1	0		KEAFHN
Cc1noc(C)c1S(=O)(=O)Nc1c(=O)c(=O)c1N1CCC(N(C)Cc2ccc(OC(F)F)cc2)CC1	ZINC000299852422	562890880	/nfs/dbraw/zinc/89/08/80/562890880.db2.gz	RVTGZBBWVNMQTQ-UHFFFAOYSA-N	0	3	524.546	2.390	1	0		KEAFHN
O=c1cnc2ccc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)nc2[nH]1	ZINC000299852591	562890918	/nfs/dbraw/zinc/89/09/18/562890918.db2.gz	VBLDJTJREOWILW-WNMGUVTHSA-N	0	3	504.522	2.042	1	0		KEAFHN
CN1CCOc2nc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)ccc21	ZINC000299852772	562890955	/nfs/dbraw/zinc/89/09/55/562890955.db2.gz	XIWQSRAYXJVHNK-RCSZBHJWSA-N	0	3	507.566	2.222	1	0		KEAFHN
Cc1cc2c(nc1CNC13CCC(C[C@]4(O)Cn5c6c4c(F)cnc6ccc5=O)(CC1)OC3)NC(=O)CO2	ZINC000299852896	562891036	/nfs/dbraw/zinc/89/10/36/562891036.db2.gz	ZAGJQGKEGYXFQH-RCSZBHJWSA-N	0	3	521.549	2.033	1	0		KEAFHN
O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC(NCc3ccc4c(c3)NC(=O)CO4)(CC1)CO2	ZINC000299852931	562891016	/nfs/dbraw/zinc/89/10/16/562891016.db2.gz	ZPBHSQGTZVLBCF-RCSZBHJWSA-N	0	3	506.534	2.329	1	0		KEAFHN
Cn1c2nc3n(ccc(=O)n3CCCCCN3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c(=O)n(C)c1=O	ZINC000299861113	562893155	/nfs/dbraw/zinc/89/31/55/562893155.db2.gz	KJYXIZKESDABBW-UHFFFAOYSA-N	0	3	546.459	2.346	1	0		KEAFHN
O[C@@H]1CN[C@H](Cc2cn(Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)nn2)[C@H](O)[C@H]1O	ZINC000299864355	562894127	/nfs/dbraw/zinc/89/41/27/562894127.db2.gz	MGMUKXIKROCOQT-GKQHHHCTSA-N	0	3	516.598	2.081	1	0		KEAFHN
CC(C)(CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1	ZINC000472866803	562896589	/nfs/dbraw/zinc/89/65/89/562896589.db2.gz	SQCJGICLIMLWFB-UGJKXSETSA-N	0	3	686.854	2.065	1	0		KEAFHN
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2C[C@@H](O)CC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1	ZINC000472866822	562896622	/nfs/dbraw/zinc/89/66/22/562896622.db2.gz	VEVTYHWFAKZKCL-DVCLJZNLSA-N	0	3	686.854	2.063	1	0		KEAFHN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OC[C@H](N(C)C)[C@@H]23)cc1	ZINC000473087636	562897197	/nfs/dbraw/zinc/89/71/97/562897197.db2.gz	GCBYFJIPPYEMBR-RXQXDSFGSA-N	0	3	605.754	2.342	1	0		KEAFHN
Cc1cc(Nc2ncc(-c3nc(-c4ccccc4)cs3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1	ZINC000473126224	562899732	/nfs/dbraw/zinc/89/97/32/562899732.db2.gz	ZZAHNCINSQBRFG-TYFWRSTJSA-N	0	3	504.616	2.381	1	0		KEAFHN
C=CC(=O)N[C@@H]1CN(c2nc3c(ncn3C(C)C)c(Nc3cn([C@@H]4CCN(C)C4)nc3OC)n2)C[C@H]1F	ZINC000473133708	562900393	/nfs/dbraw/zinc/90/03/93/562900393.db2.gz	BSFRRHNDBNCWNZ-BRWVUGGUSA-N	0	3	512.594	2.061	1	0		KEAFHN
C=CC(=O)N[C@@H]1CN(c2nc3c(ncn3C(C)C)c(Nc3cn([C@H]4CCN(C)C4)nc3OC)n2)C[C@H]1F	ZINC000473133709	562900408	/nfs/dbraw/zinc/90/04/08/562900408.db2.gz	BSFRRHNDBNCWNZ-GVDBMIGSSA-N	0	3	512.594	2.061	1	0		KEAFHN
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(=O)CN)C[C@@H]4C[C@H](OC(=O)CN)CC[C@]4(C)[C@H]3C[C@H](OC(=O)CN)[C@]12C	ZINC000473135357	562900726	/nfs/dbraw/zinc/90/07/26/562900726.db2.gz	HROWWHFJCLDRMK-XKPZVJNFSA-N	0	3	593.762	2.066	1	0		KEAFHN
O=C1COc2ccc(CNC3CCN(CCn4c(=O)ccc5ncc(Oc6ccon6)cc54)CC3)nc2N1	ZINC000473167360	562903047	/nfs/dbraw/zinc/90/30/47/562903047.db2.gz	HXCDTJYGISYPIQ-UHFFFAOYSA-N	0	3	517.546	2.157	1	0		KEAFHN
O=c1ccc2ncc(OCc3ccccn3)cc2n1CCN1CCC(NCc2ccc3c(n2)NC(=O)CO3)CC1	ZINC000473169226	562903137	/nfs/dbraw/zinc/90/31/37/562903137.db2.gz	MNWIDQPCFXVVRZ-UHFFFAOYSA-N	0	3	541.612	2.351	1	0		KEAFHN
O=C1COc2ccc(CNC3CCN(CCn4c(=O)ccc5ccc(Oc6ccon6)nc54)CC3)nc2N1	ZINC000473171714	562903255	/nfs/dbraw/zinc/90/32/55/562903255.db2.gz	VCZYGEUXYUDQEA-UHFFFAOYSA-N	0	3	517.546	2.157	1	0		KEAFHN
CCC[C@H](O)[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N2CCC[C@@H]2OC)c1)C(=O)NCC(C)C	ZINC000473224147	562904196	/nfs/dbraw/zinc/90/41/96/562904196.db2.gz	JICMITPNTOPAGH-IIZANFQQSA-N	0	3	596.769	2.489	1	0		KEAFHN
CCC[C@H](O)[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N2CCC[C@H]2OC)c1)C(=O)NCC(C)C	ZINC000473224148	562904159	/nfs/dbraw/zinc/90/41/59/562904159.db2.gz	JICMITPNTOPAGH-MYSYHGOYSA-N	0	3	596.769	2.489	1	0		KEAFHN
CCC[C@H](O)[C@H](NC[C@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N2CCC[C@@H]2OC)c1)C(=O)NCC(C)C	ZINC000473224149	562904194	/nfs/dbraw/zinc/90/41/94/562904194.db2.gz	JICMITPNTOPAGH-MZBLVXSRSA-N	0	3	596.769	2.489	1	0		KEAFHN
CCC[C@H](O)[C@H](NC[C@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N2CCC[C@H]2OC)c1)C(=O)NCC(C)C	ZINC000473224150	562904163	/nfs/dbraw/zinc/90/41/63/562904163.db2.gz	JICMITPNTOPAGH-QBHLCAJUSA-N	0	3	596.769	2.489	1	0		KEAFHN
COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(nc(NCCN(C)C)nc4-c4ccccn4)C3)c21	ZINC000653781794	562912196	/nfs/dbraw/zinc/91/21/96/562912196.db2.gz	WVIDPSWMNHJGEE-UHFFFAOYSA-N	0	3	581.641	2.054	1	0		KEAFHN
COc1nnc(OCCCC(=O)NCCCCCCNC(=O)[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(ccc5O)C[C@H]3N(C)CC[C@]624)nn1	ZINC000653803768	562913544	/nfs/dbraw/zinc/91/35/44/562913544.db2.gz	WAGOKBIKBJNMMA-GPTYAFMUSA-N	0	3	665.792	2.077	1	0		KEAFHN
CCc1cc(-c2noc(-c3cc(C)c(CN(C)CCN(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO	ZINC000653856807	562915753	/nfs/dbraw/zinc/91/57/53/562915753.db2.gz	AOFRCBZSANQULA-NRFANRHFSA-N	0	3	545.706	2.486	1	0		KEAFHN
CCc1cc(-c2noc(-c3cc(C)nc(CN4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO	ZINC000653856992	562915782	/nfs/dbraw/zinc/91/57/82/562915782.db2.gz	FYXWPURTCJZKBL-QHCPKHFHSA-N	0	3	509.607	2.422	1	0		KEAFHN
CC(C)Cc1nn(C)c(=O)c2c1cn(Cc1ccc(NCCCCCNC(=O)[C@@H](N)CCC(N)=O)nc1)c2SCCCO	ZINC000653858599	562915862	/nfs/dbraw/zinc/91/58/62/562915862.db2.gz	CRGCFNZOCHFAGP-QHCPKHFHSA-N	0	3	614.817	2.143	1	0		KEAFHN
CC(C)Cc1nn(C)c(=O)c2c1cn(Cc1ccnc(NCCCCCNC(=O)[C@@H](N)CCC(N)=O)c1)c2SCCCO	ZINC000653905132	562917567	/nfs/dbraw/zinc/91/75/67/562917567.db2.gz	CPRQBHKSSZWVHI-QHCPKHFHSA-N	0	3	614.817	2.143	1	0		KEAFHN
CCOC(=O)c1c2cc(OC[C@H](O)CNC(CO)(CO)CO)c(Br)cc2n(C)c1CSc1ccccc1	ZINC000008397119	561705496	/nfs/dbraw/zinc/70/54/96/561705496.db2.gz	BGLRXOLRLKQLGH-QGZVFWFLSA-N	0	3	597.528	2.455	3	0		KEAFHN
CCOC(=O)c1c2cc(OC[C@@H](O)CNC(CO)(CO)CO)c(Br)cc2n(C)c1CSc1ccccc1	ZINC000008397123	561705477	/nfs/dbraw/zinc/70/54/77/561705477.db2.gz	BGLRXOLRLKQLGH-KRWDZBQOSA-N	0	3	597.528	2.455	3	0		KEAFHN
CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NCCN3CCCC[C@H]3C)ccc21	ZINC000013521294	561716989	/nfs/dbraw/zinc/71/69/89/561716989.db2.gz	UTAIYPADJIPETB-CJFMBICVSA-N	0	3	512.676	2.476	3	0		KEAFHN
CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NCCN3CCCC[C@@H]3C)ccc21	ZINC000013521298	561717023	/nfs/dbraw/zinc/71/70/23/561717023.db2.gz	UTAIYPADJIPETB-NBGIEHNGSA-N	0	3	512.676	2.476	3	0		KEAFHN
NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c3nc(CCN4CCCCC4)nn32)cc1	ZINC000017356917	561755103	/nfs/dbraw/zinc/75/51/03/561755103.db2.gz	UVHQKRMKRABMMB-UHFFFAOYSA-N	0	3	553.714	2.404	3	0		KEAFHN
CN(C)CCN1CCN([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)CC1	ZINC000095600289	562778791	/nfs/dbraw/zinc/77/87/91/562778791.db2.gz	YNOCWZKHFZCVGE-SANMLTNESA-N	0	3	500.607	2.250	3	0		KEAFHN
CN(C)CCN1CCN([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)CC1	ZINC000095600290	562778793	/nfs/dbraw/zinc/77/87/93/562778793.db2.gz	YNOCWZKHFZCVGE-AREMUKBSSA-N	0	3	500.607	2.250	3	0		KEAFHN
CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN3CCCC[C@@H]3C)ccc21	ZINC000169301192	562852887	/nfs/dbraw/zinc/85/28/87/562852887.db2.gz	UTAIYPADJIPETB-CPJSRVTESA-N	0	3	512.676	2.476	3	0		KEAFHN
CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN3CCCC[C@H]3C)ccc21	ZINC000252204182	562881696	/nfs/dbraw/zinc/88/16/96/562881696.db2.gz	UTAIYPADJIPETB-NLFFAJNJSA-N	0	3	512.676	2.476	3	0		KEAFHN