smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc(NC(C)=O)c1OC ZINC000745438288 1078479789 /nfs/dbraw/zinc/47/97/89/1078479789.db2.gz WZWAGFVKINTHFO-MPBGBICISA-N 0 0 405.451 2.262 20 30 HEEDRN CCCCCCn1cc(S(=O)(=O)N[C@H](C)c2cccc(C#N)c2)c(=O)[nH]c1=O ZINC000769660787 1078499638 /nfs/dbraw/zinc/49/96/38/1078499638.db2.gz MWFMNDYMKFDZQL-CQSZACIVSA-N 0 0 404.492 2.440 20 30 HEEDRN C[C@@H](CC(=O)OCc1ccc(F)cc1C#N)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000745497569 1078514268 /nfs/dbraw/zinc/51/42/68/1078514268.db2.gz WJQTZPAMHPWDTL-LBPRGKRZSA-N 0 0 401.419 2.258 20 30 HEEDRN N#Cc1ccc(OCCOC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1 ZINC000769667285 1078506209 /nfs/dbraw/zinc/50/62/09/1078506209.db2.gz DZZPFRKHIHIBLO-UHFFFAOYSA-N 0 0 409.354 2.356 20 30 HEEDRN CC(=O)[C@@H](OC(=O)CCCN=C1NS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000769666761 1078507037 /nfs/dbraw/zinc/50/70/37/1078507037.db2.gz QBQHEHNOVPPODH-LJQANCHMSA-N 0 0 400.456 2.379 20 30 HEEDRN Cc1cnn(CCCCCOC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000745495401 1078509846 /nfs/dbraw/zinc/50/98/46/1078509846.db2.gz GOZSCRQBTHSQIC-INIZCTEOSA-N 0 0 418.519 2.422 20 30 HEEDRN COc1ccc(OCCOC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000745495680 1078510406 /nfs/dbraw/zinc/51/04/06/1078510406.db2.gz HYAQLHBPRZIMRP-AWEZNQCLSA-N 0 0 418.471 2.135 20 30 HEEDRN C[C@H](CC(=O)OCCCCCn1cccn1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000745496356 1078511126 /nfs/dbraw/zinc/51/11/26/1078511126.db2.gz LROZFNDIDGEFNZ-OAHLLOKOSA-N 0 0 404.492 2.114 20 30 HEEDRN C[C@@H](CC(=O)OCC(=O)c1ccc(F)cc1F)N=C1NS(=O)(=O)c2ccccc21 ZINC000745496349 1078511343 /nfs/dbraw/zinc/51/13/43/1078511343.db2.gz LKZKLLSESROSQR-NSHDSACASA-N 0 0 422.409 2.208 20 30 HEEDRN CN(C(=O)COC(=O)[C@H](c1ccccc1F)N1CCOCC1)C1(C#N)CCCCC1 ZINC000745497348 1078512837 /nfs/dbraw/zinc/51/28/37/1078512837.db2.gz RBIQDFXDLOEBQQ-FQEVSTJZSA-N 0 0 417.481 2.427 20 30 HEEDRN N#CCN(C(=O)COC(=O)[C@@H](c1ccccc1F)N1CCOCC1)c1ccccc1 ZINC000745499890 1078515579 /nfs/dbraw/zinc/51/55/79/1078515579.db2.gz RCTJVXLLBOCHTK-OAQYLSRUSA-N 0 0 411.433 2.299 20 30 HEEDRN C[C@@H](OC(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1)C(=O)N(C)CCC#N ZINC000745538311 1078528838 /nfs/dbraw/zinc/52/88/38/1078528838.db2.gz ZFHDWHHQTLWEGW-ZIAGYGMSSA-N 0 0 401.492 2.211 20 30 HEEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nccn3C)C2)ccc1F ZINC000769751055 1078539160 /nfs/dbraw/zinc/53/91/60/1078539160.db2.gz CLMDCMJJZBJKSU-HNNXBMFYSA-N 0 0 406.483 2.043 20 30 HEEDRN N#Cc1ccc(CN2C(=O)CN(CN3CC[C@]4(C3)OCc3ccccc34)C2=O)cc1 ZINC000769778511 1078552400 /nfs/dbraw/zinc/55/24/00/1078552400.db2.gz SKMLQOUCIJZHNZ-HSZRJFAPSA-N 0 0 402.454 2.411 20 30 HEEDRN N#Cc1ccc(OC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c(F)c1 ZINC000769736728 1078553590 /nfs/dbraw/zinc/55/35/90/1078553590.db2.gz DFTWASNXFNYVJF-UHFFFAOYSA-N 0 0 413.430 2.464 20 30 HEEDRN CCOC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2C)C1 ZINC000769734127 1078552774 /nfs/dbraw/zinc/55/27/74/1078552774.db2.gz AXXZKFCXGFTUBL-ZBFHGGJFSA-N 0 0 418.519 2.293 20 30 HEEDRN COc1ccc(OCc2ccccn2)c(C=NNc2nc3c(cnn3C)c(=O)[nH]2)c1 ZINC000769817796 1078560247 /nfs/dbraw/zinc/56/02/47/1078560247.db2.gz CLBVHBAVJRHECJ-UHFFFAOYSA-N 0 0 405.418 2.498 20 30 HEEDRN NS(=O)(=O)c1ccc(N=NCc2cc(O)ccc2Br)c([N+](=O)[O-])c1 ZINC000769796197 1078568680 /nfs/dbraw/zinc/56/86/80/1078568680.db2.gz SBEADNYSWYQNQO-UHFFFAOYSA-N 0 0 415.225 2.156 20 30 HEEDRN S=C(NCCN1CCOCC1)NN=Cc1ccc(Cl)cc1Br ZINC000769798234 1078569056 /nfs/dbraw/zinc/56/90/56/1078569056.db2.gz SJWHPJNUNHWCGM-UHFFFAOYSA-N 0 0 405.749 2.233 20 30 HEEDRN COc1cc(C=NNc2ccnc(Br)c2)cc(OC)c1OCC(N)=O ZINC000769800721 1078569943 /nfs/dbraw/zinc/56/99/43/1078569943.db2.gz XWBCFBRLUHCLCV-UHFFFAOYSA-N 0 0 409.240 2.171 20 30 HEEDRN Cn1cc(C=NNc2nc3c(cnn3C)c(=O)[nH]2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000769808390 1078571794 /nfs/dbraw/zinc/57/17/94/1078571794.db2.gz FVFHOYDXUAHSMB-UHFFFAOYSA-N 0 0 420.433 2.077 20 30 HEEDRN CC(=NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)c1ccc(NS(C)(=O)=O)cc1 ZINC000769807153 1078571891 /nfs/dbraw/zinc/57/18/91/1078571891.db2.gz ILYKLMUSCZXOKF-UHFFFAOYSA-N 0 0 417.495 2.495 20 30 HEEDRN CNS(=O)(=O)c1cccc(C(C)=NNc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)c1 ZINC000769811775 1078573225 /nfs/dbraw/zinc/57/32/25/1078573225.db2.gz FAOFWXDFSMQWKC-UHFFFAOYSA-N 0 0 417.495 2.031 20 30 HEEDRN CCOc1ccc(N(CCC#N)C(=O)COC(=O)C2(N3CCOCC3)CCC2)cc1 ZINC000769816349 1078574666 /nfs/dbraw/zinc/57/46/66/1078574666.db2.gz LFPXOEKBVNASIE-UHFFFAOYSA-N 0 0 415.490 2.130 20 30 HEEDRN C[C@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000745694422 1078588825 /nfs/dbraw/zinc/58/88/25/1078588825.db2.gz GLFOKSHGDZAZBK-GUYCJALGSA-N 0 0 423.897 2.042 20 30 HEEDRN C[C@@H](NC(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(C#N)c1 ZINC000745784683 1078642887 /nfs/dbraw/zinc/64/28/87/1078642887.db2.gz HHCOKOMWPHINQH-MRXNPFEDSA-N 0 0 401.511 2.471 20 30 HEEDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000769886507 1078643331 /nfs/dbraw/zinc/64/33/31/1078643331.db2.gz HNALGNLUHNUGGD-UHFFFAOYSA-N 0 0 421.866 2.334 20 30 HEEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)NCCS(=O)(=O)C(C)(C)C)ccc1OC ZINC000745820261 1078649064 /nfs/dbraw/zinc/64/90/64/1078649064.db2.gz SCFCALLCSBRQFC-HNNXBMFYSA-N 0 0 411.524 2.389 20 30 HEEDRN C#C[C@@H](C)N(C)CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O ZINC000769962768 1078654217 /nfs/dbraw/zinc/65/42/17/1078654217.db2.gz KQVPEHCDIVCEII-COYFKBPASA-N 0 0 415.515 2.191 20 30 HEEDRN C#C[C@@H](C)N(C)CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC(C)C ZINC000769962945 1078655528 /nfs/dbraw/zinc/65/55/28/1078655528.db2.gz LUSFXMIKORSFEC-MRXNPFEDSA-N 0 0 409.552 2.396 20 30 HEEDRN O=C(NCCNC(=O)C1N=CC=CC1=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000745812512 1078656853 /nfs/dbraw/zinc/65/68/53/1078656853.db2.gz ABWNCSKNUMDUQP-NLPIWRNCSA-N 0 0 411.245 2.253 20 30 HEEDRN O=C(NCCNC(=O)N1CC[C@H](CSc2ccccc2)C1)C1N=CC=CC1=O ZINC000745813910 1078657831 /nfs/dbraw/zinc/65/78/31/1078657831.db2.gz STAJUCQSCOSBLP-IJYGLTAASA-N 0 0 400.504 2.337 20 30 HEEDRN C#C[C@H](C)N(C)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC ZINC000769976177 1078671276 /nfs/dbraw/zinc/67/12/76/1078671276.db2.gz VEUZROKSMSOPTD-INIZCTEOSA-N 0 0 407.536 2.152 20 30 HEEDRN CC(C)S(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 ZINC000769980330 1078672596 /nfs/dbraw/zinc/67/25/96/1078672596.db2.gz MWZMDVKLVLDDHX-MRXNPFEDSA-N 0 0 421.519 2.454 20 30 HEEDRN Cc1ccc(N2CCC[C@H](NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2=O)cc1 ZINC000745878817 1078682876 /nfs/dbraw/zinc/68/28/76/1078682876.db2.gz OENVOFMXSWKTDU-FQEVSTJZSA-N 0 0 418.501 2.289 20 30 HEEDRN C#Cc1ccc(C(=O)OCC(=O)N(c2ccc(C)c(C)c2)[C@@H]2C=CS(=O)(=O)C2)nc1 ZINC000770020538 1078690830 /nfs/dbraw/zinc/69/08/30/1078690830.db2.gz UNQZSGPACQXFSU-LJQANCHMSA-N 0 0 424.478 2.180 20 30 HEEDRN C#Cc1cccc(NC(=O)CN(C)[C@H]2CCN(c3sccc3C(=O)OC)C2=O)c1 ZINC000745983535 1078718681 /nfs/dbraw/zinc/71/86/81/1078718681.db2.gz WHEZFVQNFUBOOV-KRWDZBQOSA-N 0 0 411.483 2.192 20 30 HEEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1nc(-c2ccccc2)no1 ZINC000766336267 1078727714 /nfs/dbraw/zinc/72/77/14/1078727714.db2.gz RHPVNBIAMVVTAB-ZDUSSCGKSA-N 0 0 412.427 2.018 20 30 HEEDRN C=CCNc1ncc(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)s1 ZINC000770108820 1078731469 /nfs/dbraw/zinc/73/14/69/1078731469.db2.gz VSWZJXFNPRQWPJ-UHFFFAOYSA-N 0 0 400.460 2.429 20 30 HEEDRN C=CCNc1ncc(C(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)s1 ZINC000770107857 1078728894 /nfs/dbraw/zinc/72/88/94/1078728894.db2.gz OQVRUNQHZXBETB-UHFFFAOYSA-N 0 0 400.460 2.429 20 30 HEEDRN C=CCNS(=O)(=O)c1cc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)ccc1F ZINC000770112219 1078734096 /nfs/dbraw/zinc/73/40/96/1078734096.db2.gz NRQXSHNDCZUBID-NRFANRHFSA-N 0 0 413.474 2.471 20 30 HEEDRN Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)O[C@H](C)C(=O)N(C)CCC#N)s1 ZINC000770183291 1078751009 /nfs/dbraw/zinc/75/10/09/1078751009.db2.gz YMMSNPKQERVVRQ-UKRRQHHQSA-N 0 0 401.492 2.272 20 30 HEEDRN COCCN(Cc1ccc(C#N)cc1)CN1c2cc(OC)c(OC)cc2C(=O)C1=O ZINC000746050521 1078758783 /nfs/dbraw/zinc/75/87/83/1078758783.db2.gz NSMMIDFOQFQKMX-UHFFFAOYSA-N 0 0 409.442 2.211 20 30 HEEDRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NCCNc1ccc(C#N)cn1 ZINC000746121400 1078797000 /nfs/dbraw/zinc/79/70/00/1078797000.db2.gz VXAOXHIVWJOXEO-CZUORRHYSA-N 0 0 403.483 2.242 20 30 HEEDRN O=C(CCNC(=O)C1N=CC=CC1=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000746131266 1078801165 /nfs/dbraw/zinc/80/11/65/1078801165.db2.gz RSNGKGJIGXBPIX-FMQUCBEESA-N 0 0 405.401 2.251 20 30 HEEDRN COc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)nc1 ZINC000770246237 1078810470 /nfs/dbraw/zinc/81/04/70/1078810470.db2.gz RJKQSDFECSCPOJ-NKFKGCMQSA-N 0 0 417.491 2.225 20 30 HEEDRN Cc1ccc(NC(=O)CCNC(=O)C2N=CC=CC2=O)cc1NC(=O)c1ccncc1 ZINC000746175395 1078810673 /nfs/dbraw/zinc/81/06/73/1078810673.db2.gz WRHNLVGLAGQGIU-LSDHQDQOSA-N 0 0 419.441 2.497 20 30 HEEDRN Cc1cc(C)c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(Br)c1 ZINC000770277025 1078803527 /nfs/dbraw/zinc/80/35/27/1078803527.db2.gz ZMHYUYLTJKXVQO-AWEZNQCLSA-N 0 0 405.296 2.203 20 30 HEEDRN N#C[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1cccc(Br)c1 ZINC000746190492 1078820401 /nfs/dbraw/zinc/82/04/01/1078820401.db2.gz LDZRTJPMDAEQDV-PHODEOQFSA-N 0 0 403.236 2.046 20 30 HEEDRN C#Cc1cccc(N(C)C(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)c1 ZINC000746215297 1078823924 /nfs/dbraw/zinc/82/39/24/1078823924.db2.gz LWYBMRNYBIANNE-FQEVSTJZSA-N 0 0 402.454 2.181 20 30 HEEDRN CCCN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000746225387 1078826896 /nfs/dbraw/zinc/82/68/96/1078826896.db2.gz MUXHYUSMKNVCPF-RAJOGRCSSA-N 0 0 420.510 2.151 20 30 HEEDRN O=C(CCNC(=O)C1N=CC=CC1=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000746219394 1078824985 /nfs/dbraw/zinc/82/49/85/1078824985.db2.gz SEYZRUHKYMTVSQ-XUTLUUPISA-N 0 0 421.457 2.359 20 30 HEEDRN O=C(CCNC(=O)C1N=CC=CC1=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 ZINC000746237836 1078828698 /nfs/dbraw/zinc/82/86/98/1078828698.db2.gz GJSKJVIOVIBDCB-QURGRASLSA-N 0 0 420.425 2.375 20 30 HEEDRN O=C(CCNC(=O)C1N=CC=CC1=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000746289572 1078837399 /nfs/dbraw/zinc/83/73/99/1078837399.db2.gz WHLJLDYEPGOJGI-BVGIJJTOSA-N 0 0 402.426 2.272 20 30 HEEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)C1 ZINC000746277797 1078842148 /nfs/dbraw/zinc/84/21/48/1078842148.db2.gz SWSOPZDSCHELHZ-XIKOKIGWSA-N 0 0 406.439 2.385 20 30 HEEDRN Cc1cc(C[C@H](C)NC(=O)CCNC(=O)C2N=CC=CC2=O)n(-c2ccccc2)n1 ZINC000746295418 1078845268 /nfs/dbraw/zinc/84/52/68/1078845268.db2.gz ZHNOIXKVXIDRCS-WNIYRAMRSA-N 0 0 407.474 2.144 20 30 HEEDRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000746307849 1078848841 /nfs/dbraw/zinc/84/88/41/1078848841.db2.gz VMFYZMGKMSZINY-MNGLYYNBSA-N 0 0 420.510 2.103 20 30 HEEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1nnc(-c2ccccc2)o1 ZINC000766341740 1078857338 /nfs/dbraw/zinc/85/73/38/1078857338.db2.gz DKZHDPMSUJCZCT-ZDUSSCGKSA-N 0 0 412.427 2.018 20 30 HEEDRN C#CCN(Cc1noc(Cc2ccc(Br)cc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000749281105 1078864550 /nfs/dbraw/zinc/86/45/50/1078864550.db2.gz LTRNIVODJLZFOP-OAHLLOKOSA-N 0 0 424.320 2.045 20 30 HEEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)CCC(=O)c1ccccn1 ZINC000770483286 1078876292 /nfs/dbraw/zinc/87/62/92/1078876292.db2.gz MEDJAYIGAADADW-UHFFFAOYSA-N 0 0 403.398 2.284 20 30 HEEDRN CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cnc2cnc(Br)cn12 ZINC000746369014 1078878042 /nfs/dbraw/zinc/87/80/42/1078878042.db2.gz LIPHHFODTWXCMM-UHFFFAOYSA-N 0 0 422.312 2.345 20 30 HEEDRN C[C@]1(c2ccccc2)NC(=O)N(N=Cc2cnc3cnc(Br)cn23)C1=O ZINC000746370547 1078879293 /nfs/dbraw/zinc/87/92/93/1078879293.db2.gz LRSYRXSLNVIMOL-QGZVFWFLSA-N 0 0 413.235 2.293 20 30 HEEDRN N#CCn1cc(NC(=O)C(=O)NCC2(c3ccc(Br)cc3)CCC2)cn1 ZINC000746373181 1078879895 /nfs/dbraw/zinc/87/98/95/1078879895.db2.gz XVBOMFAFPOQJCJ-UHFFFAOYSA-N 0 0 416.279 2.346 20 30 HEEDRN 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2.251 20 30 HEEDRN CC(=O)c1ccccc1OCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000767638457 1080009405 /nfs/dbraw/zinc/00/94/05/1080009405.db2.gz RWWNAEMTEAXBAV-CQSZACIVSA-N 0 0 416.455 2.050 20 30 HEEDRN C[C@@H](CC(=O)Nc1nc2c(s1)CSCC2)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000804358990 1080012325 /nfs/dbraw/zinc/01/23/25/1080012325.db2.gz ZDNYTYAZSLGENM-JTQLQIEISA-N 0 0 422.557 2.388 20 30 HEEDRN N#Cc1ccc(OS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)cc1F ZINC000772654495 1080013882 /nfs/dbraw/zinc/01/38/82/1080013882.db2.gz BDNKVANVOPJYFZ-UHFFFAOYSA-N 0 0 410.448 2.250 20 30 HEEDRN COc1cc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cnc1Cl ZINC000767667084 1080017156 /nfs/dbraw/zinc/01/71/56/1080017156.db2.gz FYCOXVSCRGVJPJ-UHFFFAOYSA-N 0 0 406.895 2.122 20 30 HEEDRN Cc1cc(C(F)(F)F)ccc1C=c1sc(=C(C#N)C#N)n(Cc2ccon2)c1=O ZINC000785495774 1080019106 /nfs/dbraw/zinc/01/91/06/1080019106.db2.gz QWUSWXFBXKFRCI-UHFFFAOYSA-N 0 0 416.384 2.300 20 30 HEEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCCOc1ccc(C#N)cc1 ZINC000767673039 1080019263 /nfs/dbraw/zinc/01/92/63/1080019263.db2.gz BRMHPERSAOMMTC-HNNXBMFYSA-N 0 0 413.455 2.109 20 30 HEEDRN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000767645102 1080020222 /nfs/dbraw/zinc/02/02/22/1080020222.db2.gz KIRCDDXFXKOYJM-NVXWUHKLSA-N 0 0 416.474 2.449 20 30 HEEDRN CC(C)[C@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000767645638 1080020952 /nfs/dbraw/zinc/02/09/52/1080020952.db2.gz OUKOSMSQSWVEGM-AEFFLSMTSA-N 0 0 415.490 2.007 20 30 HEEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC[C@@H]1OCCc2ccccc21 ZINC000767676397 1080033050 /nfs/dbraw/zinc/03/30/50/1080033050.db2.gz BGBLZYVTDAQGGT-LIRRHRJNSA-N 0 0 400.456 2.082 20 30 HEEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)c1cc(F)ccc1F ZINC000767677647 1080034886 /nfs/dbraw/zinc/03/48/86/1080034886.db2.gz SYJMOJIDJNOZBC-VXGBXAGGSA-N 0 0 422.409 2.318 20 30 HEEDRN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1nc(C(C)(C)C)no1 ZINC000767682509 1080038280 /nfs/dbraw/zinc/03/82/80/1080038280.db2.gz WITGSNGOEJWFRN-NWDGAFQWSA-N 0 0 406.464 2.210 20 30 HEEDRN C=CCc1ccc(OCC(=O)NCc2cnc(N3CCOCC3)s2)c(OC)c1 ZINC000785532426 1080043061 /nfs/dbraw/zinc/04/30/61/1080043061.db2.gz TWQCKGALALRQGY-UHFFFAOYSA-N 0 0 403.504 2.412 20 30 HEEDRN C#CCNC(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000785554392 1080056186 /nfs/dbraw/zinc/05/61/86/1080056186.db2.gz WQIMYWCFHICGGX-UHFFFAOYSA-N 0 0 424.837 2.186 20 30 HEEDRN C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000767705590 1080056996 /nfs/dbraw/zinc/05/69/96/1080056996.db2.gz RAAOIUZSPVAQAQ-MRXNPFEDSA-N 0 0 405.470 2.054 20 30 HEEDRN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H]3CCc4cc(C#N)ccc43)C2=O)cc1 ZINC000785559626 1080058286 /nfs/dbraw/zinc/05/82/86/1080058286.db2.gz SQOHCMJLVDSJOX-WMZHIEFXSA-N 0 0 418.453 2.138 20 30 HEEDRN C=C(Br)CNC(=O)C(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000785585902 1080061893 /nfs/dbraw/zinc/06/18/93/1080061893.db2.gz ZAARTFCXYSTOJK-ZDUSSCGKSA-N 0 0 411.687 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COc1ccccc1[C@H](NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)c1nccn1C ZINC000785622037 1080127251 /nfs/dbraw/zinc/12/72/51/1080127251.db2.gz CIQZKWLDDDLURY-FQEVSTJZSA-N 0 0 417.469 2.165 20 30 HEEDRN CC[C@@]1(C)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 ZINC000785677207 1080156812 /nfs/dbraw/zinc/15/68/12/1080156812.db2.gz DWTLMMNZGVLGOX-FQEVSTJZSA-N 0 0 407.536 2.313 20 30 HEEDRN C#Cc1cccc(NC(=O)CNC(=O)CO[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000767883634 1080200033 /nfs/dbraw/zinc/20/00/33/1080200033.db2.gz MPPCEQLMCBXADV-GOSISDBHSA-N 0 0 415.490 2.139 20 30 HEEDRN N#CC(C#N)=c1sc(=Cc2cnc(C3CCCC3)s2)c(=O)n1Cc1ccon1 ZINC000767888819 1080205761 /nfs/dbraw/zinc/20/57/61/1080205761.db2.gz TWVWJYVBFMSODB-UHFFFAOYSA-N 0 0 409.496 2.087 20 30 HEEDRN N#CC(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1-c1ccc(Cl)nc1 ZINC000767891993 1080208287 /nfs/dbraw/zinc/20/82/87/1080208287.db2.gz RHUJFAPJOHFIQG-UHFFFAOYSA-N 0 0 418.787 2.391 20 30 HEEDRN N#Cc1cccc(OCC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)c1 ZINC000767893998 1080209324 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COCCN(CCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)OC(C)(C)C ZINC000768033969 1080277574 /nfs/dbraw/zinc/27/75/74/1080277574.db2.gz IMTJQWROGIKAIS-UHFFFAOYSA-N 0 0 424.885 2.150 20 30 HEEDRN C=C[C@H]1CCCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O ZINC000785855558 1080282570 /nfs/dbraw/zinc/28/25/70/1080282570.db2.gz JIPFPDFGWININN-JKSUJKDBSA-N 0 0 404.488 2.191 20 30 HEEDRN C=C[C@H]1CCCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC000785855553 1080282845 /nfs/dbraw/zinc/28/28/45/1080282845.db2.gz JIPFPDFGWININN-HOTGVXAUSA-N 0 0 404.488 2.191 20 30 HEEDRN C#CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 ZINC000768074253 1080328271 /nfs/dbraw/zinc/32/82/71/1080328271.db2.gz JMGMNPVLVXIQFI-UHFFFAOYSA-N 0 0 419.441 2.070 20 30 HEEDRN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC1(C#N)CCC1 ZINC000768079490 1080331742 /nfs/dbraw/zinc/33/17/42/1080331742.db2.gz TWKNZSCFGKZTBG-SFHVURJKSA-N 0 0 422.503 2.388 20 30 HEEDRN Cn1c(=O)ccc2ccc(NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc21 ZINC000786025963 1080340820 /nfs/dbraw/zinc/34/08/20/1080340820.db2.gz STZIPRBIPNCGMQ-GOEBONIOSA-N 0 0 411.462 2.419 20 30 HEEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCCN(c2ncccc2F)CC1 ZINC000786003420 1080364883 /nfs/dbraw/zinc/36/48/83/1080364883.db2.gz GYMYCPBTQHKDMA-OAHLLOKOSA-N 0 0 411.437 2.189 20 30 HEEDRN C#CCOc1ccc(NC(=O)C(=O)NCCN2CCc3c(Cl)cccc3C2)cc1 ZINC000786006499 1080368684 /nfs/dbraw/zinc/36/86/84/1080368684.db2.gz GFGBCYUBJJMEPG-UHFFFAOYSA-N 0 0 411.889 2.465 20 30 HEEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000786008381 1080371124 /nfs/dbraw/zinc/37/11/24/1080371124.db2.gz GXPSPDMJHJJQAX-CRAIPNDOSA-N 0 0 412.490 2.356 20 30 HEEDRN COc1cccc([C@H](C#N)NC(=O)C2(S(=O)(=O)c3ccccc3)CC2)c1OC ZINC000768152380 1080372393 /nfs/dbraw/zinc/37/23/93/1080372393.db2.gz NBTQFTIGHCOGNW-INIZCTEOSA-N 0 0 400.456 2.391 20 30 HEEDRN C[C@H](OC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1)C(=O)N(C)CCC#N ZINC000786094798 1080390166 /nfs/dbraw/zinc/39/01/66/1080390166.db2.gz KBRFXOUMVGLPRQ-HNNXBMFYSA-N 0 0 415.490 2.352 20 30 HEEDRN Cn1c(Cl)nc(Cl)c1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000768209418 1080397916 /nfs/dbraw/zinc/39/79/16/1080397916.db2.gz XNAMXHILMVIGSB-UHFFFAOYSA-N 0 0 414.318 2.105 20 30 HEEDRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000768210318 1080399004 /nfs/dbraw/zinc/39/90/04/1080399004.db2.gz IGBLMGRHSCOAKZ-HNNXBMFYSA-N 0 0 414.466 2.316 20 30 HEEDRN Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)N3CC[C@](F)(C#N)C3)cc2)cc1 ZINC000786133354 1080455207 /nfs/dbraw/zinc/45/52/07/1080455207.db2.gz FZLOBAWCEBYBMN-SFHVURJKSA-N 0 0 424.475 2.389 20 30 HEEDRN C[C@H](C#N)CN(C)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000786187068 1080464473 /nfs/dbraw/zinc/46/44/73/1080464473.db2.gz RHVVAJBZEADKEX-CQSZACIVSA-N 0 0 403.487 2.157 20 30 HEEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(O)(c3ccccc3)CC2)cc1 ZINC000768301077 1080471974 /nfs/dbraw/zinc/47/19/74/1080471974.db2.gz WKPCQRRYRJWILI-UHFFFAOYSA-N 0 0 407.470 2.051 20 30 HEEDRN CC(C)c1ccnc(N2CCN(C(=O)C(=O)Nc3ccccc3O[C@H](C)C#N)CC2)n1 ZINC000768325296 1080487288 /nfs/dbraw/zinc/48/72/88/1080487288.db2.gz LFKLKSRXIKGUMY-MRXNPFEDSA-N 0 0 422.489 2.178 20 30 HEEDRN C[C@@](O)(C1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1)C(F)(F)F ZINC000768327089 1080488185 /nfs/dbraw/zinc/48/81/85/1080488185.db2.gz WXYIUFFJXFEEDI-QGZVFWFLSA-N 0 0 417.359 2.218 20 30 HEEDRN O=C(NCCNC(=O)C1N=CC=CC1=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000768335949 1080493806 /nfs/dbraw/zinc/49/38/06/1080493806.db2.gz DVOHTBHXUQTXDH-VSRNGQBXSA-N 0 0 420.469 2.213 20 30 HEEDRN C#CCOc1cccc(NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC000768403678 1080526318 /nfs/dbraw/zinc/52/63/18/1080526318.db2.gz XDMUTPTWODWUQY-SFHVURJKSA-N 0 0 403.479 2.303 20 30 HEEDRN C#CCOc1ccc(NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1 ZINC000768402902 1080526453 /nfs/dbraw/zinc/52/64/53/1080526453.db2.gz SQIHIARTWUPCGI-SFHVURJKSA-N 0 0 403.479 2.303 20 30 HEEDRN C#CCOc1cc(F)ccc1NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000768410779 1080530479 /nfs/dbraw/zinc/53/04/79/1080530479.db2.gz ZNRYVBCUXLPFQW-SFHVURJKSA-N 0 0 421.469 2.442 20 30 HEEDRN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N=Nc2cc(C#N)cc(Cl)n2)CC1 ZINC000768376643 1080532732 /nfs/dbraw/zinc/53/27/32/1080532732.db2.gz UMPUXVWAFTVNIJ-UHFFFAOYSA-N 0 0 407.887 2.199 20 30 HEEDRN Cc1nc(Cn2cc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc43)nn2)no1 ZINC000786308163 1080556051 /nfs/dbraw/zinc/55/60/51/1080556051.db2.gz PLKODQKLUGJUCH-OAHLLOKOSA-N 0 0 401.386 2.132 20 30 HEEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)Cc2nc(C)sc2C)cc1OC ZINC000786310568 1080556814 /nfs/dbraw/zinc/55/68/14/1080556814.db2.gz VYAXFMDTAXOCFX-OAHLLOKOSA-N 0 0 401.488 2.387 20 30 HEEDRN CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cn(Cc3noc(C)n3)nn2)cc1 ZINC000786312702 1080557703 /nfs/dbraw/zinc/55/77/03/1080557703.db2.gz GWDYFHBGWAAFMV-MLGOLLRUSA-N 0 0 407.434 2.493 20 30 HEEDRN C=CCNS(=O)(=O)c1cc(C(=O)NCc2nnc(C3CC3)n2C2CC2)ccc1F ZINC000768447675 1080566450 /nfs/dbraw/zinc/56/64/50/1080566450.db2.gz ISUOVMHDXYBPKQ-UHFFFAOYSA-N 0 0 419.482 2.024 20 30 HEEDRN C[C@@H]1[C@H](C(=O)OCC(=O)NCc2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC000786367619 1080572880 /nfs/dbraw/zinc/57/28/80/1080572880.db2.gz HIWIZUOIPBGRFC-RHSMWYFYSA-N 0 0 401.463 2.363 20 30 HEEDRN Cc1ccc(-c2cc(-c3nnc(SCC(=O)N[C@](C)(C#N)C4CC4)n3N)n[nH]2)cc1 ZINC000768455474 1080580164 /nfs/dbraw/zinc/58/01/64/1080580164.db2.gz MZHYPOKVGPXKPN-HXUWFJFHSA-N 0 0 422.518 2.258 20 30 HEEDRN CN(C(=O)CN1C(=O)N[C@](C)(c2cc(F)cc(F)c2)C1=O)C1(C#N)CCCCC1 ZINC000768458876 1080581231 /nfs/dbraw/zinc/58/12/31/1080581231.db2.gz IBTQBRVLEUVMPU-LJQANCHMSA-N 0 0 404.417 2.417 20 30 HEEDRN C=C(Br)CNC(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786411482 1080591349 /nfs/dbraw/zinc/59/13/49/1080591349.db2.gz FNSYNDJSDMCAAW-UHFFFAOYSA-N 0 0 418.332 2.355 20 30 HEEDRN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000804369275 1080596537 /nfs/dbraw/zinc/59/65/37/1080596537.db2.gz YLMMBIOBEROAKP-KRWDZBQOSA-N 0 0 414.384 2.025 20 30 HEEDRN CN(Cc1cccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)c1)C(=O)OC(C)(C)C ZINC000786439978 1080602350 /nfs/dbraw/zinc/60/23/50/1080602350.db2.gz IDFLDLWAFVRFRG-HXUWFJFHSA-N 0 0 404.442 2.456 20 30 HEEDRN CN(Cc1cccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)c1)C(=O)OC(C)(C)C ZINC000786439977 1080602477 /nfs/dbraw/zinc/60/24/77/1080602477.db2.gz IDFLDLWAFVRFRG-FQEVSTJZSA-N 0 0 404.442 2.456 20 30 HEEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3c(cccc3Cl)n2C)c1 ZINC000768571433 1080638153 /nfs/dbraw/zinc/63/81/53/1080638153.db2.gz BZZMHBMQDPZWQG-UHFFFAOYSA-N 0 0 402.863 2.391 20 30 HEEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](Cc2c(F)cccc2F)C(C)=O)c1 ZINC000768545745 1080647516 /nfs/dbraw/zinc/64/75/16/1080647516.db2.gz RZRYZJXOCDDEFF-LJQANCHMSA-N 0 0 421.421 2.233 20 30 HEEDRN Cn1c2ccccc2n(CCC(=O)[C@H](C#N)C(=O)NCc2cccc(Cl)c2)c1=O ZINC000786531968 1080650033 /nfs/dbraw/zinc/65/00/33/1080650033.db2.gz XLBWEYRWJQKAAS-INIZCTEOSA-N 0 0 410.861 2.409 20 30 HEEDRN C#CCCN(CC(F)(F)F)C(=O)CNC(=O)c1ccc(OC(F)F)c(OC)c1 ZINC000768617775 1080654424 /nfs/dbraw/zinc/65/44/24/1080654424.db2.gz IWKWUIDPFAZATB-UHFFFAOYSA-N 0 0 408.323 2.441 20 30 HEEDRN N#C[C@@H](C(=O)Cc1cccc(N2CCCC2=O)c1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000786511436 1080665560 /nfs/dbraw/zinc/66/55/60/1080665560.db2.gz DEKVYJLJCSSLJG-IBGZPJMESA-N 0 0 420.425 2.289 20 30 HEEDRN C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000786582739 1080672580 /nfs/dbraw/zinc/67/25/80/1080672580.db2.gz QBCIBANMQQZJLC-NTXUUIFSSA-N 0 0 417.428 2.402 20 30 HEEDRN C[C@H](OC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000786582738 1080672694 /nfs/dbraw/zinc/67/26/94/1080672694.db2.gz QBCIBANMQQZJLC-HPGRBHQUSA-N 0 0 417.428 2.402 20 30 HEEDRN COc1ccc(CN2C[C@H](C(=O)[C@@H](C#N)C(=O)NCc3cccc(C)c3)CC2=O)cc1 ZINC000786551285 1080680502 /nfs/dbraw/zinc/68/05/02/1080680502.db2.gz CLGDQVIJELCYCU-TZIWHRDSSA-N 0 0 419.481 2.377 20 30 HEEDRN Cc1c(CC(=O)[C@@H](C#N)C(=O)NCc2ccc(F)cc2F)nnn1-c1ccccc1 ZINC000786554283 1080682801 /nfs/dbraw/zinc/68/28/01/1080682801.db2.gz MBJUTSIIGAGCLA-QGZVFWFLSA-N 0 0 409.396 2.422 20 30 HEEDRN C[C@@H]1Oc2ccccc2N(CC(=O)[C@@H](C#N)C(=O)NCc2ccc(F)c(F)c2)C1=O ZINC000786562356 1080688620 /nfs/dbraw/zinc/68/86/20/1080688620.db2.gz BMXITSDFXFPSKN-GXTWGEPZSA-N 0 0 413.380 2.104 20 30 HEEDRN N#C[C@H](C(=O)CCn1cc(Br)cn1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786563047 1080689224 /nfs/dbraw/zinc/68/92/24/1080689224.db2.gz GJVBHAQMJFXLEE-GFCCVEGCSA-N 0 0 411.206 2.339 20 30 HEEDRN N#C[C@H](C(=O)Cc1csc(N2CCCC2=O)n1)C(=O)NCc1ccc(F)cc1F ZINC000786562603 1080690189 /nfs/dbraw/zinc/69/01/89/1080690189.db2.gz YNNFMHSKABGMOC-CQSZACIVSA-N 0 0 418.425 2.116 20 30 HEEDRN N#C[C@H](C(=O)NCc1ccc(F)cc1F)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000786564139 1080690646 /nfs/dbraw/zinc/69/06/46/1080690646.db2.gz YFKTXGZHOCRYCC-ZFWWWQNUSA-N 0 0 415.371 2.482 20 30 HEEDRN N#C[C@@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000786572782 1080698239 /nfs/dbraw/zinc/69/82/39/1080698239.db2.gz SCPSAMJJTCDEOA-ZIAGYGMSSA-N 0 0 415.371 2.482 20 30 HEEDRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccc(F)c(C#N)c1 ZINC000768653187 1080701024 /nfs/dbraw/zinc/70/10/24/1080701024.db2.gz WKVSLOOHTSMOCL-KRWDZBQOSA-N 0 0 407.442 2.406 20 30 HEEDRN Cn1nc(Br)c2c1ncn(CC(=O)OCCCCC(C)(C)C#N)c2=O ZINC000768672402 1080708984 /nfs/dbraw/zinc/70/89/84/1080708984.db2.gz WAXDGLODGHEVBI-UHFFFAOYSA-N 0 0 410.272 2.156 20 30 HEEDRN COc1ccc(OC)c2c1CN(C(=O)C(=O)Nc1ccc(C#N)cc1Cl)C[C@@H]2O ZINC000768712380 1080728543 /nfs/dbraw/zinc/72/85/43/1080728543.db2.gz CYOGUYLQAFKZBP-HNNXBMFYSA-N 0 0 415.833 2.243 20 30 HEEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccc(Cl)nc3)CC2)c(Cl)c1 ZINC000786593872 1080731012 /nfs/dbraw/zinc/73/10/12/1080731012.db2.gz HVHLXFQYYOUAFE-UHFFFAOYSA-N 0 0 418.284 2.225 20 30 HEEDRN CC(=O)[C@H](Cc1ccc(Cl)cc1F)OC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000768719583 1080737299 /nfs/dbraw/zinc/73/72/99/1080737299.db2.gz SVJYYOAGSIDHSS-NXDJFEHLSA-N 0 0 408.813 2.439 20 30 HEEDRN CCCn1c(=O)c(=Cc2cc(Br)c(OC)s2)sc1=C(C#N)C#N ZINC000746596950 1080738398 /nfs/dbraw/zinc/73/83/98/1080738398.db2.gz CWVVUDZAMXSYBO-UHFFFAOYSA-N 0 0 410.318 2.179 20 30 HEEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(c2cccnc2)CC1 ZINC000768760972 1080751005 /nfs/dbraw/zinc/75/10/05/1080751005.db2.gz UVKMHYNZLXVJCK-UHFFFAOYSA-N 0 0 412.515 2.307 20 30 HEEDRN N#C[C@@H](COC(=O)CCCN1C(=O)CNC1=O)Cc1ccccc1Br ZINC000786641982 1080752833 /nfs/dbraw/zinc/75/28/33/1080752833.db2.gz OKCFBKJWMWGUML-LBPRGKRZSA-N 0 0 408.252 2.007 20 30 HEEDRN C[C@H](Sc1nnc(-c2cccc(Br)c2)n1N)C(=O)NC1(C#N)CCC1 ZINC000786709834 1080765421 /nfs/dbraw/zinc/76/54/21/1080765421.db2.gz BSYGKIATEBTLLX-JTQLQIEISA-N 0 0 421.324 2.464 20 30 HEEDRN C[C@@H](Sc1nnc(-c2ccc(Br)cc2)n1N)C(=O)NC1(C#N)CCC1 ZINC000786728345 1080777978 /nfs/dbraw/zinc/77/79/78/1080777978.db2.gz SJJBXMVMRZDKLX-SNVBAGLBSA-N 0 0 421.324 2.464 20 30 HEEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OC[C@H]1CNC(c2ccccc2)=NO1 ZINC000768801994 1080779167 /nfs/dbraw/zinc/77/91/67/1080779167.db2.gz JGSWVJMRMYNYAY-GOSISDBHSA-N 0 0 418.457 2.044 20 30 HEEDRN CN(CCC#N)c1ccc(CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000768804075 1080781150 /nfs/dbraw/zinc/78/11/50/1080781150.db2.gz MBJQXQZNXCICOK-UHFFFAOYSA-N 0 0 423.542 2.303 20 30 HEEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OC[C@@H]2CSc3ccccc3O2)c1 ZINC000768775675 1080791918 /nfs/dbraw/zinc/79/19/18/1080791918.db2.gz NZVJXDGUUQZLDW-OAHLLOKOSA-N 0 0 403.481 2.308 20 30 HEEDRN CC(=O)[C@H](Cc1ccccc1F)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000768779313 1080793755 /nfs/dbraw/zinc/79/37/55/1080793755.db2.gz QBFWYUJSHAPVTM-DJJJIMSYSA-N 0 0 418.446 2.108 20 30 HEEDRN CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ncn(-c3ccccc3)n2)cc1 ZINC000768780896 1080794951 /nfs/dbraw/zinc/79/49/51/1080794951.db2.gz FPGMJOSWFFRQRC-KRWDZBQOSA-N 0 0 403.398 2.405 20 30 HEEDRN N#Cc1ccc([C@@H](OC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C(N)=O)cc1 ZINC000786784193 1080821301 /nfs/dbraw/zinc/82/13/01/1080821301.db2.gz BEOLRSSALNYRAD-LJQANCHMSA-N 0 0 406.354 2.163 20 30 HEEDRN CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCc2ncc[nH]2)cc1 ZINC000768875946 1080827888 /nfs/dbraw/zinc/82/78/88/1080827888.db2.gz ALYOHABVKQHIGA-HAVVHWLPSA-N 0 0 404.496 2.324 20 30 HEEDRN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCCNc1ccc(C#N)cn1 ZINC000786837434 1080829880 /nfs/dbraw/zinc/82/98/80/1080829880.db2.gz HRGGYXZZDOTWJZ-ZDUSSCGKSA-N 0 0 424.910 2.411 20 30 HEEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCC2(C)OCCO2)c1 ZINC000768881499 1080830134 /nfs/dbraw/zinc/83/01/34/1080830134.db2.gz OBVFDAYYMUDZIK-OQKWZONESA-N 0 0 424.523 2.164 20 30 HEEDRN C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000786809603 1080838059 /nfs/dbraw/zinc/83/80/59/1080838059.db2.gz PMKLBCXMUIFTRJ-NSHDSACASA-N 0 0 405.314 2.419 20 30 HEEDRN N#Cc1cccc(CNC(=O)COC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)c1 ZINC000786810353 1080838140 /nfs/dbraw/zinc/83/81/40/1080838140.db2.gz UBWSJSYXXVPQFL-SFHVURJKSA-N 0 0 412.490 2.082 20 30 HEEDRN 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CS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)ccc1F ZINC000786171380 1080478269 /nfs/dbraw/zinc/47/82/69/1080478269.db2.gz POFYIAWNELEBQQ-QGZVFWFLSA-N 0 0 401.463 2.079 20 30 HEEDRN CC[C@@H](CC#N)NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000786181621 1080483155 /nfs/dbraw/zinc/48/31/55/1080483155.db2.gz IENVTVQMLCFRDL-AWEZNQCLSA-N 0 0 403.487 2.347 20 30 HEEDRN CN(CCCn1ccnc1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000768325258 1080487204 /nfs/dbraw/zinc/48/72/04/1080487204.db2.gz VNUKWRFQNODYRZ-UHFFFAOYSA-N 0 0 417.535 2.031 20 30 HEEDRN C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000768328850 1080488495 /nfs/dbraw/zinc/48/84/95/1080488495.db2.gz DHPYBPXBYHMSTG-SFHVURJKSA-N 0 0 416.371 2.328 20 30 HEEDRN CN(C)C(=O)CNC(=O)c1ccc(NC(=O)c2ccccc2OCC#N)cc1Cl ZINC000768350575 1080507439 /nfs/dbraw/zinc/50/74/39/1080507439.db2.gz NRUWOEXRCISWTM-UHFFFAOYSA-N 0 0 414.849 2.313 20 30 HEEDRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)n1 ZINC000786232369 1080510892 /nfs/dbraw/zinc/51/08/92/1080510892.db2.gz ZZECHNJKPMWJJX-GOSISDBHSA-N 0 0 415.519 2.105 20 30 HEEDRN C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)N(C)CCO3)ccc1F ZINC000746574816 1080527987 /nfs/dbraw/zinc/52/79/87/1080527987.db2.gz UMBHAFIIVQEZLN-UHFFFAOYSA-N 0 0 405.451 2.371 20 30 HEEDRN CS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)ccc1F ZINC000786301803 1080544575 /nfs/dbraw/zinc/54/45/75/1080544575.db2.gz NHXZBFGRSMVKBW-UHFFFAOYSA-N 0 0 417.462 2.314 20 30 HEEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(C(F)(F)F)n3)CC2)c(F)c1 ZINC000786310604 1080556716 /nfs/dbraw/zinc/55/67/16/1080556716.db2.gz MSLOVYOHEALNRF-UHFFFAOYSA-N 0 0 421.354 2.398 20 30 HEEDRN CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cn(Cc3noc(C)n3)nn2)cc1 ZINC000786312700 1080557652 /nfs/dbraw/zinc/55/76/52/1080557652.db2.gz GWDYFHBGWAAFMV-LRDDRELGSA-N 0 0 407.434 2.493 20 30 HEEDRN CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1nnn(Cc2noc(C)n2)c1C ZINC000786313240 1080558453 /nfs/dbraw/zinc/55/84/53/1080558453.db2.gz QAFRIYHIQLQDGK-INIZCTEOSA-N 0 0 421.461 2.412 20 30 HEEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H]2CN(C)C(=O)c3ccccc32)cc1OC ZINC000786314501 1080558613 /nfs/dbraw/zinc/55/86/13/1080558613.db2.gz YNCSRLLIOCESIW-IRXDYDNUSA-N 0 0 407.426 2.221 20 30 HEEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CN(C)C(=O)c3ccccc32)cc1OC ZINC000786314502 1080558657 /nfs/dbraw/zinc/55/86/57/1080558657.db2.gz YNCSRLLIOCESIW-SJORKVTESA-N 0 0 407.426 2.221 20 30 HEEDRN C[C@H](/N=C1\SC(CC(=O)NC2CC2)C(=O)N1Cc1ncn(C)n1)c1cccs1 ZINC000768418144 1080571083 /nfs/dbraw/zinc/57/10/83/1080571083.db2.gz QUFQBGSNIGDTMO-QDNXDCNOSA-N 0 0 418.548 2.107 20 30 HEEDRN C=CCn1c(SC[C@@H]2CN=C(N3CCOCC3)S2)nnc1-c1ccccn1 ZINC000768417622 1080571527 /nfs/dbraw/zinc/57/15/27/1080571527.db2.gz JBVGPADQLSIELD-AWEZNQCLSA-N 0 0 402.549 2.422 20 30 HEEDRN COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(CC#N)cc2)C1=O ZINC000768466609 1080586144 /nfs/dbraw/zinc/58/61/44/1080586144.db2.gz HLPSPQSHRIKCAW-JOCHJYFZSA-N 0 0 406.442 2.475 20 30 HEEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786410829 1080590119 /nfs/dbraw/zinc/59/01/19/1080590119.db2.gz UHJPXGZMYJIMQZ-IRXDYDNUSA-N 0 0 423.554 2.428 20 30 HEEDRN CC(C)[C@@H]1C[C@@H](CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2ccccc21 ZINC000786418487 1080593016 /nfs/dbraw/zinc/59/30/16/1080593016.db2.gz SJIOCTAFLGUJLC-ZYSHUDEJSA-N 0 0 402.516 2.269 20 30 HEEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@@H]1CC12CCOCC2 ZINC000786439619 1080602370 /nfs/dbraw/zinc/60/23/70/1080602370.db2.gz CEWOWFQKYYBHHR-KRWDZBQOSA-N 0 0 403.479 2.312 20 30 HEEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@H]1CC12CCOCC2 ZINC000786439620 1080603158 /nfs/dbraw/zinc/60/31/58/1080603158.db2.gz CEWOWFQKYYBHHR-QGZVFWFLSA-N 0 0 403.479 2.312 20 30 HEEDRN N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)C1 ZINC000786440710 1080603696 /nfs/dbraw/zinc/60/36/96/1080603696.db2.gz LYWMHRZTBLSJPC-OAQYLSRUSA-N 0 0 410.453 2.464 20 30 HEEDRN O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000768556613 1080627996 /nfs/dbraw/zinc/62/79/96/1080627996.db2.gz LXSFAYMUUVDTPT-LPNGOHTBSA-N 0 0 405.454 2.420 20 30 HEEDRN C=C[C@@](C)(CC)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000786528633 1080649392 /nfs/dbraw/zinc/64/93/92/1080649392.db2.gz IYEYYJYQTAMBDD-NRFANRHFSA-N 0 0 422.547 2.445 20 30 HEEDRN C=CCOc1ccc(/C=C\C(=O)OC[C@@H]2CCCN(S(C)(=O)=O)C2)cc1OC ZINC000786493395 1080654893 /nfs/dbraw/zinc/65/48/93/1080654893.db2.gz WIOZLVYNQOCEJE-SECOEOQKSA-N 0 0 409.504 2.488 20 30 HEEDRN C#CCCN(CC(F)(F)F)C(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000768618774 1080655026 /nfs/dbraw/zinc/65/50/26/1080655026.db2.gz WQQVBITYAAKJCY-CQSZACIVSA-N 0 0 419.444 2.306 20 30 HEEDRN C=CCOc1ccc(/C=C/C(=O)OC[C@@H]2CCCN(S(C)(=O)=O)C2)cc1OC ZINC000786493397 1080655417 /nfs/dbraw/zinc/65/54/17/1080655417.db2.gz WIOZLVYNQOCEJE-SYJIQKIWSA-N 0 0 409.504 2.488 20 30 HEEDRN C#CCN(C(=O)c1cc(Br)cc(OC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000746590233 1080657220 /nfs/dbraw/zinc/65/72/20/1080657220.db2.gz 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N#C[C@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000786572811 1080698220 /nfs/dbraw/zinc/69/82/20/1080698220.db2.gz SPANNXVQVHTGGT-SJORKVTESA-N 0 0 411.408 2.339 20 30 HEEDRN Cc1ccc(Br)nc1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000786631653 1080727078 /nfs/dbraw/zinc/72/70/78/1080727078.db2.gz PBSCVGRZFXXQPF-GFCCVEGCSA-N 0 0 401.268 2.165 20 30 HEEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(Oc3ccccc3Cl)nc2)CC1 ZINC000746597053 1080738407 /nfs/dbraw/zinc/73/84/07/1080738407.db2.gz KMGMPEANGZEJSR-UHFFFAOYSA-N 0 0 412.877 2.035 20 30 HEEDRN N#C[C@@H](COC(=O)Cc1nc2ncccn2n1)Cc1ccccc1Br ZINC000786633995 1080751381 /nfs/dbraw/zinc/75/13/81/1080751381.db2.gz CXXPIDUYHVGYBG-LBPRGKRZSA-N 0 0 400.236 2.355 20 30 HEEDRN N#C[C@H](COC(=O)Cc1nc2ncccn2n1)Cc1ccccc1Br ZINC000786633993 1080751531 /nfs/dbraw/zinc/75/15/31/1080751531.db2.gz CXXPIDUYHVGYBG-GFCCVEGCSA-N 0 0 400.236 2.355 20 30 HEEDRN Cn1c(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)nc2cccc(Cl)c21 ZINC000768737075 1080762283 /nfs/dbraw/zinc/76/22/83/1080762283.db2.gz ZWNOFLMPLMDHEE-UHFFFAOYSA-N 0 0 417.878 2.294 20 30 HEEDRN CN(CCN(C)C(=O)OC(C)(C)C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000768744969 1080769092 /nfs/dbraw/zinc/76/90/92/1080769092.db2.gz KFNUNUXVEFDAJD-OAHLLOKOSA-N 0 0 413.478 2.310 20 30 HEEDRN O=C(C#Cc1ccc2c(c1)OCO2)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000786670071 1080772264 /nfs/dbraw/zinc/77/22/64/1080772264.db2.gz JRIXZKSNGKOTMV-UHFFFAOYSA-N 0 0 424.404 2.376 20 30 HEEDRN Cc1c(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cnn1C1CCCC1 ZINC000768773206 1080790329 /nfs/dbraw/zinc/79/03/29/1080790329.db2.gz WBXFMDDMSNZTOP-UHFFFAOYSA-N 0 0 401.492 2.374 20 30 HEEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCCCNc2ncnc3ccccc32)c1 ZINC000768798344 1080803370 /nfs/dbraw/zinc/80/33/70/1080803370.db2.gz GGBNDZYDEKPQQT-UHFFFAOYSA-N 0 0 424.482 2.200 20 30 HEEDRN CC(C)Cc1nnc(NC(=O)CCC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)s1 ZINC000786795721 1080822703 /nfs/dbraw/zinc/82/27/03/1080822703.db2.gz IMEDHBPTOQSNIM-KRWDZBQOSA-N 0 0 415.475 2.097 20 30 HEEDRN N#Cc1ccc(OC2CCC(NC(=O)Nc3ccc(-n4nccn4)nc3)CC2)nc1 ZINC000768873185 1080826149 /nfs/dbraw/zinc/82/61/49/1080826149.db2.gz RXZFYIORHZLLKT-UHFFFAOYSA-N 0 0 404.434 2.441 20 30 HEEDRN CC(C)(C)OC(=O)N1C[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[C@@H](C#N)C1 ZINC000786797215 1080831401 /nfs/dbraw/zinc/83/14/01/1080831401.db2.gz NCBNWFUKIKZCHF-FZMZJTMJSA-N 0 0 410.452 2.169 20 30 HEEDRN N#Cc1cccc(CNC(=O)COC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)c1 ZINC000786810352 1080838083 /nfs/dbraw/zinc/83/80/83/1080838083.db2.gz UBWSJSYXXVPQFL-GOSISDBHSA-N 0 0 412.490 2.082 20 30 HEEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)C1CN(CC(F)(F)F)C1 ZINC000786848957 1080850191 /nfs/dbraw/zinc/85/01/91/1080850191.db2.gz AUDNZBGEQRUXHH-ZDUSSCGKSA-N 0 0 413.396 2.368 20 30 HEEDRN C#CCN(Cc1cc(Br)c(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000768931473 1080863345 /nfs/dbraw/zinc/86/33/45/1080863345.db2.gz FUABILWXLVKQAN-AWEZNQCLSA-N 0 0 416.337 2.479 20 30 HEEDRN C#CCN(Cc1cc(Br)c(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000768931474 1080863353 /nfs/dbraw/zinc/86/33/53/1080863353.db2.gz FUABILWXLVKQAN-CQSZACIVSA-N 0 0 416.337 2.479 20 30 HEEDRN Cc1c(Br)cc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)c(=O)n1C ZINC000768934517 1080864702 /nfs/dbraw/zinc/86/47/02/1080864702.db2.gz ICYJLQWNLCBJEZ-LBPRGKRZSA-N 0 0 424.295 2.344 20 30 HEEDRN O=C(NCCNC(=O)N1CCC(OCc2ccc(F)cc2)CC1)C1N=CC=CC1=O ZINC000768941318 1080868062 /nfs/dbraw/zinc/86/80/62/1080868062.db2.gz FWQMLGDJDXFVCY-VXPUYCOJSA-N 0 0 416.453 2.043 20 30 HEEDRN C#CCCN1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)CC1 ZINC000786842612 1080869076 /nfs/dbraw/zinc/86/90/76/1080869076.db2.gz DTDHTVJMSYWKFC-HNNXBMFYSA-N 0 0 400.928 2.083 20 30 HEEDRN N#CC1(NC(=O)COC(=O)c2ccnc(Cl)c2I)CCC1 ZINC000786888828 1080870127 /nfs/dbraw/zinc/87/01/27/1080870127.db2.gz GLDPULBRRNLGMN-UHFFFAOYSA-N 0 0 419.606 2.059 20 30 HEEDRN N#Cc1cc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)c[nH]1 ZINC000786907731 1080878502 /nfs/dbraw/zinc/87/85/02/1080878502.db2.gz PMBGSOBMMQXGOH-INIZCTEOSA-N 0 0 421.457 2.413 20 30 HEEDRN C[C@H](CC(=O)NCc1ccc2c(n1)CCCC2)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000769027288 1080889819 /nfs/dbraw/zinc/88/98/19/1080889819.db2.gz GBYYKOJWJGFDFV-CQSZACIVSA-N 0 0 412.515 2.094 20 30 HEEDRN C[C@H](OC(=O)[C@@H]1COCCN1CC(F)F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000786946678 1080900065 /nfs/dbraw/zinc/90/00/65/1080900065.db2.gz LRVSNJAYQZYDAC-HZMBPMFUSA-N 0 0 401.797 2.048 20 30 HEEDRN COC(=O)C[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)c1ccc(OC)cc1OC ZINC000769107113 1080937154 /nfs/dbraw/zinc/93/71/54/1080937154.db2.gz JSJMJXHBVDMFLU-QGZVFWFLSA-N 0 0 411.410 2.205 20 30 HEEDRN CC[C@H](C#N)Oc1cc(CNC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)ccc1OC ZINC000769113268 1080939368 /nfs/dbraw/zinc/93/93/68/1080939368.db2.gz WOVWJGXUBINBOY-ZACQAIPSSA-N 0 0 400.479 2.329 20 30 HEEDRN COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000769132253 1080951037 /nfs/dbraw/zinc/95/10/37/1080951037.db2.gz 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Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCOC[C@H]2CCO)c1C#N ZINC000767602711 1080000818 /nfs/dbraw/zinc/00/08/18/1080000818.db2.gz ZCCJIYBUZWCOKS-QGZVFWFLSA-N 0 0 400.479 2.030 20 30 HEEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC[C@@H]1OCCc2ccccc21 ZINC000767629992 1080005487 /nfs/dbraw/zinc/00/54/87/1080005487.db2.gz MOWVOPOANDHQOV-LIRRHRJNSA-N 0 0 400.456 2.082 20 30 HEEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1nc(-c2ccsc2)no1 ZINC000767633993 1080006944 /nfs/dbraw/zinc/00/69/44/1080006944.db2.gz CMABCQLYEICXHM-NSHDSACASA-N 0 0 418.456 2.080 20 30 HEEDRN CCOc1ccc(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000767636455 1080008140 /nfs/dbraw/zinc/00/81/40/1080008140.db2.gz JGFAIIFSIHJCNL-AWEZNQCLSA-N 0 0 416.455 2.050 20 30 HEEDRN Cc1cc(C)cc(NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000767637033 1080008369 /nfs/dbraw/zinc/00/83/69/1080008369.db2.gz MKKMDDUYDNLHPM-HNNXBMFYSA-N 0 0 415.471 2.024 20 30 HEEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1cc(-c2ccco2)on1 ZINC000767638065 1080008945 /nfs/dbraw/zinc/00/89/45/1080008945.db2.gz PSTXSNAVGBLRNG-GFCCVEGCSA-N 0 0 401.400 2.216 20 30 HEEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CNC(=O)c1cccnc1 ZINC000767618125 1080012304 /nfs/dbraw/zinc/01/23/04/1080012304.db2.gz ZPSCNLRHQQXIKA-CQSZACIVSA-N 0 0 412.471 2.388 20 30 HEEDRN COc1cc(OS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1C#N ZINC000767618930 1080012615 /nfs/dbraw/zinc/01/26/15/1080012615.db2.gz CWJVMOPTCMYHPY-UHFFFAOYSA-N 0 0 422.484 2.119 20 30 HEEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1nc(-c2ccsc2)no1 ZINC000767675394 1080019669 /nfs/dbraw/zinc/01/96/69/1080019669.db2.gz IXSHPLUAWMIQPT-NSHDSACASA-N 0 0 418.456 2.080 20 30 HEEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000767646666 1080021578 /nfs/dbraw/zinc/02/15/78/1080021578.db2.gz XIKMWDOODWJXAD-UHFFFAOYSA-N 0 0 414.439 2.104 20 30 HEEDRN C#CCC(C)(C)C(=O)OCC(=O)N1CCN(Cc2cc(OC)c(OC)cc2C)CC1 ZINC000767653089 1080022642 /nfs/dbraw/zinc/02/26/42/1080022642.db2.gz PWHJOVMHXDGNRE-UHFFFAOYSA-N 0 0 416.518 2.249 20 30 HEEDRN CCOc1cc2c(cc1CNC(=O)C(=O)NCc1ccc(OC)c(C#N)c1)O[C@H](C)C2 ZINC000785504015 1080024133 /nfs/dbraw/zinc/02/41/33/1080024133.db2.gz VMISGLUHRKFMNK-CQSZACIVSA-N 0 0 423.469 2.222 20 30 HEEDRN C=C(C)C[C@H](C)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000767701482 1080029750 /nfs/dbraw/zinc/02/97/50/1080029750.db2.gz YPPCGDWLVACJDN-AWEZNQCLSA-N 0 0 407.492 2.241 20 30 HEEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC[C@@H]1OCCc2ccccc21 ZINC000767676393 1080033062 /nfs/dbraw/zinc/03/30/62/1080033062.db2.gz BGBLZYVTDAQGGT-KUHUBIRLSA-N 0 0 400.456 2.082 20 30 HEEDRN CCS[C@H](C)c1noc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000767680065 1080036393 /nfs/dbraw/zinc/03/63/93/1080036393.db2.gz KRSYBNLHVQXDDU-VXGBXAGGSA-N 0 0 424.504 2.166 20 30 HEEDRN COc1ccc(OCCCOC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000767682465 1080037369 /nfs/dbraw/zinc/03/73/69/1080037369.db2.gz ZYFFYHUNIBOIAL-OAHLLOKOSA-N 0 0 418.471 2.246 20 30 HEEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)CC1 ZINC000742060141 1080037452 /nfs/dbraw/zinc/03/74/52/1080037452.db2.gz MUSVUVDXICGKJB-ROUUACIJSA-N 0 0 408.543 2.095 20 30 HEEDRN N#Cc1ccc(CNC(=O)COC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000746551963 1080043134 /nfs/dbraw/zinc/04/31/34/1080043134.db2.gz WUERPDHNEQRKNF-IBGZPJMESA-N 0 0 423.444 2.409 20 30 HEEDRN C=C(C)[C@@H](CO)N(C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785535165 1080043885 /nfs/dbraw/zinc/04/38/85/1080043885.db2.gz YFXUUBZHEOUWLK-OAHLLOKOSA-N 0 0 406.342 2.241 20 30 HEEDRN C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1cc(C)ccc1S(N)(=O)=O ZINC000767707188 1080057372 /nfs/dbraw/zinc/05/73/72/1080057372.db2.gz NNBGHQIRIGKCOY-AWEZNQCLSA-N 0 0 422.528 2.464 20 30 HEEDRN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H]3CCc4cc(C#N)ccc43)C2=O)cc1 ZINC000785559622 1080058209 /nfs/dbraw/zinc/05/82/09/1080058209.db2.gz SQOHCMJLVDSJOX-CVDCTZTESA-N 0 0 418.453 2.138 20 30 HEEDRN CCCC[C@@H](ON=C(C)C)C(=O)OCC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000767738178 1080058887 /nfs/dbraw/zinc/05/88/87/1080058887.db2.gz FWAZTQOTWRDSNZ-GOSISDBHSA-N 0 0 409.527 2.362 20 30 HEEDRN N#Cc1ccc(CNC(=O)COC(=O)[C@H](NC(=O)c2ccco2)c2ccccc2)cc1 ZINC000746553070 1080064872 /nfs/dbraw/zinc/06/48/72/1080064872.db2.gz SQPMFZBYLYCTTI-OAQYLSRUSA-N 0 0 417.421 2.482 20 30 HEEDRN C=CC[C@H](NC(=O)C(=O)N[C@H](CCSC)c1nnc2ccccn21)c1ccncc1 ZINC000785600341 1080069772 /nfs/dbraw/zinc/06/97/72/1080069772.db2.gz HZCWFJZRVNDMAC-DLBZAZTESA-N 0 0 424.530 2.468 20 30 HEEDRN C#C[C@@H](NC(=O)C(=O)NCCc1ccc(-c2csc(C)n2)s1)[C@H]1CCCO1 ZINC000785601161 1080070604 /nfs/dbraw/zinc/07/06/04/1080070604.db2.gz ACTAVXFWCHCVEB-GDBMZVCRSA-N 0 0 403.529 2.136 20 30 HEEDRN CCCC[C@H](ON=C(C)C)C(=O)OCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000767752601 1080086137 /nfs/dbraw/zinc/08/61/37/1080086137.db2.gz VTNWRKSVQBKERR-CHWWFWEZSA-N 0 0 424.498 2.033 20 30 HEEDRN C#CCNC(=O)C1CCN(C(=O)c2cnc3c(OC(F)(F)F)cccc3c2O)CC1 ZINC000767782083 1080090279 /nfs/dbraw/zinc/09/02/79/1080090279.db2.gz QXNVREXKYMTFIR-UHFFFAOYSA-N 0 0 421.375 2.028 20 30 HEEDRN CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](CCO)c1ccccc1 ZINC000767807215 1080100142 /nfs/dbraw/zinc/10/01/42/1080100142.db2.gz WRCXGHNMPDOJJA-SFHVURJKSA-N 0 0 415.515 2.087 20 30 HEEDRN CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2ccc(-n3cncn3)c(C)c2)cc1 ZINC000767795743 1080100264 /nfs/dbraw/zinc/10/02/64/1080100264.db2.gz IYAYHNUDULEABM-UHFFFAOYSA-N 0 0 413.459 2.065 20 30 HEEDRN C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@@H](CCO)c2ccccc2)ccc1F ZINC000767804337 1080108618 /nfs/dbraw/zinc/10/86/18/1080108618.db2.gz FGCLZHKYARTWKL-SFHVURJKSA-N 0 0 406.479 2.486 20 30 HEEDRN N#C[C@H](C(=O)CN1CCC(O)(c2ccccc2)CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000767859141 1080181529 /nfs/dbraw/zinc/18/15/29/1080181529.db2.gz QOPYHIBDBCHYTJ-GOSISDBHSA-N 0 0 402.454 2.495 20 30 HEEDRN N#Cc1cccc(CNC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 ZINC000746555653 1080184090 /nfs/dbraw/zinc/18/40/90/1080184090.db2.gz WQJQAROUMLIKNF-MRXNPFEDSA-N 0 0 411.845 2.424 20 30 HEEDRN COCCn1c(=O)c(=Cc2cc(F)c(F)cc2F)sc1=C(C#N)C(=O)C(C)(C)C ZINC000767879485 1080197505 /nfs/dbraw/zinc/19/75/05/1080197505.db2.gz HEPDYLAAUPJYIH-UHFFFAOYSA-N 0 0 424.444 2.092 20 30 HEEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC1CCOCC1 ZINC000767927637 1080219517 /nfs/dbraw/zinc/21/95/17/1080219517.db2.gz RUNWYNADXRETRS-KRWDZBQOSA-N 0 0 407.536 2.169 20 30 HEEDRN C=C[C@@](C)(CC)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000785759662 1080236124 /nfs/dbraw/zinc/23/61/24/1080236124.db2.gz OJOMWZOHKXZNBU-IBGZPJMESA-N 0 0 407.492 2.241 20 30 HEEDRN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1 ZINC000785765446 1080237269 /nfs/dbraw/zinc/23/72/69/1080237269.db2.gz JJHIFYGYHJYOBH-WMZHIEFXSA-N 0 0 422.485 2.020 20 30 HEEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCc3cccnc3)c2=O)c(C)o1 ZINC000767957920 1080251618 /nfs/dbraw/zinc/25/16/18/1080251618.db2.gz ICJDVERPSAKOPA-UHFFFAOYSA-N 0 0 421.522 2.486 20 30 HEEDRN C#Cc1cccc(NC(=O)CN(C)c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 ZINC000785834240 1080263880 /nfs/dbraw/zinc/26/38/80/1080263880.db2.gz FSEMNZNTOZHDNG-UHFFFAOYSA-N 0 0 422.441 2.123 20 30 HEEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@]2(O)CCc3ccccc3C2)CC1 ZINC000785803229 1080270751 /nfs/dbraw/zinc/27/07/51/1080270751.db2.gz FBIZQMHETPDIID-QHCPKHFHSA-N 0 0 418.453 2.375 20 30 HEEDRN N#Cc1ccc(C(=O)NCC(=O)OCc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1 ZINC000768019210 1080286174 /nfs/dbraw/zinc/28/61/74/1080286174.db2.gz WOMNYFHMSBWOPC-UHFFFAOYSA-N 0 0 416.315 2.499 20 30 HEEDRN CSc1ccc(N2C[C@@H](C(=O)OCC(=O)NCc3cccc(C#N)c3)CC2=O)cc1 ZINC000746568006 1080291692 /nfs/dbraw/zinc/29/16/92/1080291692.db2.gz VDDXCKDDAUCPME-KRWDZBQOSA-N 0 0 423.494 2.493 20 30 HEEDRN C[C@@H]1CC(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](C)O1 ZINC000768046522 1080311292 /nfs/dbraw/zinc/31/12/92/1080311292.db2.gz MAXFRRSVIITOKG-XYPWUTKMSA-N 0 0 407.536 2.358 20 30 HEEDRN Cc1cc(NC(=O)C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)nn1CCC#N ZINC000768079522 1080331784 /nfs/dbraw/zinc/33/17/84/1080331784.db2.gz PDPHKBQJISFFAA-CQSZACIVSA-N 0 0 410.261 2.200 20 30 HEEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H](C[S@@](C)=O)c1ccccc1 ZINC000768108369 1080343422 /nfs/dbraw/zinc/34/34/22/1080343422.db2.gz YDZXFVRVVNBJRV-YMGMXPECSA-N 0 0 402.447 2.012 20 30 HEEDRN C#CCOc1ccc(NC(=O)C(=O)N[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000768128394 1080362991 /nfs/dbraw/zinc/36/29/91/1080362991.db2.gz YFFLVHGDNJENLK-QGZVFWFLSA-N 0 0 417.259 2.249 20 30 HEEDRN COC(=O)Cn1cc(CCOC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)nn1 ZINC000772676630 1080374558 /nfs/dbraw/zinc/37/45/58/1080374558.db2.gz BNGADZPHYJFPIX-UHFFFAOYSA-N 0 0 407.430 2.130 20 30 HEEDRN COc1cccc([C@H](C#N)NC(=O)c2cc3c(nc4ccccn4c3=O)n2C)c1OC ZINC000768156472 1080375319 /nfs/dbraw/zinc/37/53/19/1080375319.db2.gz KTAQYAKZNYNSOK-HNNXBMFYSA-N 0 0 417.425 2.198 20 30 HEEDRN C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H](CC)c2ccc(Cl)cc2)n1 ZINC000786040305 1080383235 /nfs/dbraw/zinc/38/32/35/1080383235.db2.gz ONNBTZQDOPFXQE-IBGZPJMESA-N 0 0 416.909 2.412 20 30 HEEDRN CCCS(=O)(=O)c1ccccc1C(=O)OCC(=O)NCc1ccc(C#N)cc1 ZINC000746572173 1080389225 /nfs/dbraw/zinc/38/92/25/1080389225.db2.gz IEUPRZNYCKMPRU-UHFFFAOYSA-N 0 0 400.456 2.215 20 30 HEEDRN CCN(CC)S(=O)(=O)c1ccc(C(C)=NNC(=S)NCC(F)(F)F)cc1 ZINC000746495897 1080392567 /nfs/dbraw/zinc/39/25/67/1080392567.db2.gz AAPFOBRKSNBUCK-UHFFFAOYSA-N 0 0 410.487 2.468 20 30 HEEDRN C[C@@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(CN2CC[C@@](F)(C#N)C2)C1=O ZINC000786108059 1080400740 /nfs/dbraw/zinc/40/07/40/1080400740.db2.gz OQNVVUCRWLUWLB-JKSUJKDBSA-N 0 0 400.332 2.247 20 30 HEEDRN C[C@@]1(c2ccc(Br)s2)NC(=O)N(CN2CC[C@](F)(C#N)C2)C1=O ZINC000786109199 1080402028 /nfs/dbraw/zinc/40/20/28/1080402028.db2.gz VYEQCLKOWKYKAN-KBPBESRZSA-N 0 0 401.261 2.173 20 30 HEEDRN Cc1cc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)ncn1 ZINC000786111505 1080402673 /nfs/dbraw/zinc/40/26/73/1080402673.db2.gz NLBSDQQDNXBKKO-OAHLLOKOSA-N 0 0 423.473 2.312 20 30 HEEDRN CN(C(=O)COC(=O)c1ccc(C#N)[nH]1)c1ccccc1C(=O)NCc1ccco1 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1080354838 /nfs/dbraw/zinc/35/48/38/1080354838.db2.gz JZZRIHXIOWZCJQ-QFIPXVFZSA-N 0 0 407.426 2.259 20 30 HEEDRN C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc3c(c2)O[C@](C)(CC)O3)c1 ZINC000785994482 1080354901 /nfs/dbraw/zinc/35/49/01/1080354901.db2.gz JZZRIHXIOWZCJQ-JOCHJYFZSA-N 0 0 407.426 2.259 20 30 HEEDRN CCCc1c(NC(=O)C(=O)NCCOc2cccnc2)cnn1-c1cccc(C#N)c1 ZINC000785993824 1080355374 /nfs/dbraw/zinc/35/53/74/1080355374.db2.gz YZCBSCCHJXWULH-UHFFFAOYSA-N 0 0 418.457 2.225 20 30 HEEDRN C#CCN(C(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000786064979 1080376290 /nfs/dbraw/zinc/37/62/90/1080376290.db2.gz MJOCGYZRAPUGFG-KRWDZBQOSA-N 0 0 405.520 2.130 20 30 HEEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN([C@H](C)c2nccs2)CC1 ZINC000768251070 1080441266 /nfs/dbraw/zinc/44/12/66/1080441266.db2.gz CIJLYGAPJKOERR-CQSZACIVSA-N 0 0 416.478 2.138 20 30 HEEDRN C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN([C@@H](C)c2nccs2)CC1 ZINC000768252696 1080442532 /nfs/dbraw/zinc/44/25/32/1080442532.db2.gz OXFKWBZYZAIULW-AWEZNQCLSA-N 0 0 416.478 2.138 20 30 HEEDRN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N ZINC000786129083 1080450579 /nfs/dbraw/zinc/45/05/79/1080450579.db2.gz MUWCGJAAEJYMED-SFHVURJKSA-N 0 0 424.848 2.472 20 30 HEEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc(Br)n1 ZINC000786130843 1080450597 /nfs/dbraw/zinc/45/05/97/1080450597.db2.gz BXJCIIIFSKGXRF-NSHDSACASA-N 0 0 402.256 2.248 20 30 HEEDRN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N ZINC000786129081 1080450618 /nfs/dbraw/zinc/45/06/18/1080450618.db2.gz MUWCGJAAEJYMED-GOSISDBHSA-N 0 0 424.848 2.472 20 30 HEEDRN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000786137978 1080460399 /nfs/dbraw/zinc/46/03/99/1080460399.db2.gz ZFXQLAREDXRCGI-DLBZAZTESA-N 0 0 422.470 2.047 20 30 HEEDRN C[C@H](CC#N)N(C)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000786185445 1080463187 /nfs/dbraw/zinc/46/31/87/1080463187.db2.gz ZUVUZXLXSQAJMO-CQSZACIVSA-N 0 0 403.487 2.300 20 30 HEEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000768330002 1080489339 /nfs/dbraw/zinc/48/93/39/1080489339.db2.gz HIFFBWKNDABRJQ-SGTLLEGYSA-N 0 0 413.396 2.468 20 30 HEEDRN O=C(NCCNC(=O)C1N=CC=CC1=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000768335941 1080493859 /nfs/dbraw/zinc/49/38/59/1080493859.db2.gz DVOHTBHXUQTXDH-RZRVEKSFSA-N 0 0 420.469 2.213 20 30 HEEDRN Cc1nn(C)c2nc(C)c(CC(=O)OCC(=O)NCc3ccc(C#N)cc3)c(C)c12 ZINC000746575109 1080522418 /nfs/dbraw/zinc/52/24/18/1080522418.db2.gz YSXLKPXNWMNHFF-UHFFFAOYSA-N 0 0 405.458 2.167 20 30 HEEDRN C=CCn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1-c1cnccn1 ZINC000768412170 1080530922 /nfs/dbraw/zinc/53/09/22/1080530922.db2.gz VFXHDARPRIMNNG-UHFFFAOYSA-N 0 0 408.447 2.234 20 30 HEEDRN Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)CNc2ccc(C(N)=O)cc2)cc1 ZINC000786286924 1080531265 /nfs/dbraw/zinc/53/12/65/1080531265.db2.gz VWUFLLURABFJJU-INIZCTEOSA-N 0 0 408.458 2.384 20 30 HEEDRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)NCCNC(=O)C2N=CC=CC2=O)c1 ZINC000772681584 1080531959 /nfs/dbraw/zinc/53/19/59/1080531959.db2.gz XZVQFPZMTMPUSY-VHEBQXMUSA-N 0 0 414.462 2.219 20 30 HEEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)C(=O)NCC(=O)c1ccccc1 ZINC000786288368 1080533517 /nfs/dbraw/zinc/53/35/17/1080533517.db2.gz JRTOFEWICUDDEF-HNNXBMFYSA-N 0 0 409.442 2.139 20 30 HEEDRN CN1C[C@H](C(=O)[C@@H](C#N)c2nc(N)nc(Nc3ccccc3)n2)c2ccccc2C1=O ZINC000786296154 1080541729 /nfs/dbraw/zinc/54/17/29/1080541729.db2.gz ODKBBFYHCCNZFU-SJORKVTESA-N 0 0 413.441 2.243 20 30 HEEDRN C=C(Br)COC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1 ZINC000786303633 1080546139 /nfs/dbraw/zinc/54/61/39/1080546139.db2.gz IYLKJHRGCMMYMH-UHFFFAOYSA-N 0 0 407.286 2.334 20 30 HEEDRN N#Cc1ccc(CNC(=O)COC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)cc1 ZINC000746576979 1080556189 /nfs/dbraw/zinc/55/61/89/1080556189.db2.gz GIWFGGYEEQIARF-UHFFFAOYSA-N 0 0 422.416 2.035 20 30 HEEDRN C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2cc(C)[nH]n2)n1N ZINC000768437050 1080557395 /nfs/dbraw/zinc/55/73/95/1080557395.db2.gz RHZCVBURQJMAHU-GFCCVEGCSA-N 0 0 403.537 2.447 20 30 HEEDRN Cc1nc(CC(=O)[C@@H](C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)s1 ZINC000786316378 1080560091 /nfs/dbraw/zinc/56/00/91/1080560091.db2.gz RMPMNZWGTBUSIN-MRXNPFEDSA-N 0 0 423.498 2.448 20 30 HEEDRN C=CCn1c(SC[C@H]2CN=C(N3CCOCC3)S2)nnc1-c1ccccn1 ZINC000768417623 1080571758 /nfs/dbraw/zinc/57/17/58/1080571758.db2.gz JBVGPADQLSIELD-CQSZACIVSA-N 0 0 402.549 2.422 20 30 HEEDRN C=CCn1c(SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccn1 ZINC000768419251 1080573407 /nfs/dbraw/zinc/57/34/07/1080573407.db2.gz VYPQTTRYVDKESQ-UHFFFAOYSA-N 0 0 424.442 2.483 20 30 HEEDRN C[C@H](NC(=O)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(C#N)c1 ZINC000786378595 1080578512 /nfs/dbraw/zinc/57/85/12/1080578512.db2.gz YESGXKCXQWGYOM-INIZCTEOSA-N 0 0 404.470 2.288 20 30 HEEDRN N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3cccc4c3OCC[C@H]4O)C2=O)cc1 ZINC000768475892 1080591649 /nfs/dbraw/zinc/59/16/49/1080591649.db2.gz NOWKTZZQMSRZMN-ZWKOTPCHSA-N 0 0 420.425 2.218 20 30 HEEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(-c4cccnc4)c3)sc2=C(C#N)C#N)cn1 ZINC000768497627 1080593040 /nfs/dbraw/zinc/59/30/40/1080593040.db2.gz QYQSPBCVLCERHW-UHFFFAOYSA-N 0 0 424.489 2.204 20 30 HEEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cccc(C(F)(F)F)n2)c1 ZINC000786423711 1080595301 /nfs/dbraw/zinc/59/53/01/1080595301.db2.gz INRHIUYOHQLREQ-UHFFFAOYSA-N 0 0 404.348 2.117 20 30 HEEDRN CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)C(=O)N2CC[C@](F)(C#N)C2)C1 ZINC000786440029 1080602469 /nfs/dbraw/zinc/60/24/69/1080602469.db2.gz IWZMQFYYSUVNOJ-NRFANRHFSA-N 0 0 416.453 2.382 20 30 HEEDRN N#Cc1ccc(OC2CCC(NS(=O)(=O)c3cccc4c3COC4=O)CC2)nc1 ZINC000768567637 1080635471 /nfs/dbraw/zinc/63/54/71/1080635471.db2.gz ZITZZXVLLCMFBH-UHFFFAOYSA-N 0 0 413.455 2.292 20 30 HEEDRN N#Cc1cccc(CNC(=O)COC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)c1 ZINC000746584636 1080641479 /nfs/dbraw/zinc/64/14/79/1080641479.db2.gz IBCZUSQLVAIWSR-MRXNPFEDSA-N 0 0 413.380 2.049 20 30 HEEDRN C=C[C@](C)(CC)COC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000786522859 1080647623 /nfs/dbraw/zinc/64/76/23/1080647623.db2.gz DKLUYOHROZBKSQ-HXUWFJFHSA-N 0 0 408.520 2.299 20 30 HEEDRN Cn1nc(CC(=O)[C@@H](C#N)C(=O)NCc2cccc(Cl)c2)c2ccccc2c1=O ZINC000786533122 1080650103 /nfs/dbraw/zinc/65/01/03/1080650103.db2.gz DSFRWQJOGOVVFK-QGZVFWFLSA-N 0 0 408.845 2.155 20 30 HEEDRN CC(C)(C)Oc1cccc(COC(=O)CNS(=O)(=O)c2ccccc2C#N)n1 ZINC000768549029 1080651338 /nfs/dbraw/zinc/65/13/38/1080651338.db2.gz IKAMBDGPVIXXDZ-UHFFFAOYSA-N 0 0 403.460 2.152 20 30 HEEDRN COC(=O)C[C@H](NS(=O)(=O)c1cccc(F)c1C#N)c1ccc(OC)cc1OC ZINC000768549905 1080652415 /nfs/dbraw/zinc/65/24/15/1080652415.db2.gz FQCUKGIGUBZIBX-INIZCTEOSA-N 0 0 422.434 2.297 20 30 HEEDRN CC(C)(C)OC(=O)N1CC(OCC(=O)[C@H](C#N)C(=O)NCc2cccc(Cl)c2)C1 ZINC000786539189 1080652545 /nfs/dbraw/zinc/65/25/45/1080652545.db2.gz PYZFYHGSOXDLFL-INIZCTEOSA-N 0 0 421.881 2.301 20 30 HEEDRN Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)c1 ZINC000786541080 1080653087 /nfs/dbraw/zinc/65/30/87/1080653087.db2.gz OMNRVPWXLVUTOV-FIEAQMJYSA-N 0 0 424.501 2.067 20 30 HEEDRN N#Cc1ccsc1N1CC[C@@H](OC(=O)c2ccnc(Br)c2N)C1=O ZINC000768587546 1080668736 /nfs/dbraw/zinc/66/87/36/1080668736.db2.gz FNVWHCSSVWBECA-SNVBAGLBSA-N 0 0 407.249 2.322 20 30 HEEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccc1F ZINC000768590355 1080670279 /nfs/dbraw/zinc/67/02/79/1080670279.db2.gz XCPURHARSZDZSA-UHFFFAOYSA-N 0 0 418.490 2.414 20 30 HEEDRN C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(-n3ccnn3)c2)ccc1F ZINC000768599032 1080676268 /nfs/dbraw/zinc/67/62/68/1080676268.db2.gz MLTAAUWQKFOXRS-UHFFFAOYSA-N 0 0 401.423 2.123 20 30 HEEDRN N#C[C@@H](C(=O)CSCC(=O)N1CCCCC1)C(=O)NCc1cccc(Cl)c1 ZINC000786547010 1080678472 /nfs/dbraw/zinc/67/84/72/1080678472.db2.gz NVPJNCCBVUTFAY-INIZCTEOSA-N 0 0 407.923 2.411 20 30 HEEDRN CSc1nc(C)c(CCC(=O)[C@H](C#N)C(=O)NCc2ccc(F)cc2F)c(=O)[nH]1 ZINC000786554196 1080682546 /nfs/dbraw/zinc/68/25/46/1080682546.db2.gz BGSAFXIIERXMCZ-AWEZNQCLSA-N 0 0 420.441 2.449 20 30 HEEDRN C[C@H]1Oc2ccccc2N(CC(=O)[C@@H](C#N)C(=O)NCc2ccc(F)cc2F)C1=O ZINC000786554325 1080682777 /nfs/dbraw/zinc/68/27/77/1080682777.db2.gz MTROPGJUHHLGRU-IUODEOHRSA-N 0 0 413.380 2.104 20 30 HEEDRN CCn1nc(C(O)=C(C#N)C(=O)NCc2ccc(F)cc2F)c(=O)c2ccccc21 ZINC000786554725 1080684099 /nfs/dbraw/zinc/68/40/99/1080684099.db2.gz NTXSCKNUNIAHPP-OAHLLOKOSA-N 0 0 410.380 2.333 20 30 HEEDRN N#C[C@@H](C(=O)CCN1C(=O)COc2ccccc21)C(=O)NCc1ccc(F)cc1F ZINC000786556025 1080684592 /nfs/dbraw/zinc/68/45/92/1080684592.db2.gz ZMJNNAZFVFIHCQ-HNNXBMFYSA-N 0 0 413.380 2.106 20 30 HEEDRN CC(=O)N(CCc1ccccc1)CC(=O)[C@@H](C#N)C(=O)NCc1ccc(F)cc1F ZINC000786562888 1080689200 /nfs/dbraw/zinc/68/92/00/1080689200.db2.gz JUKHNOLGQDLXAO-LJQANCHMSA-N 0 0 413.424 2.381 20 30 HEEDRN N#C[C@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000786571448 1080697014 /nfs/dbraw/zinc/69/70/14/1080697014.db2.gz XNGNGUPHUABIHU-CVEARBPZSA-N 0 0 418.444 2.218 20 30 HEEDRN N#C[C@@H](C(=O)Cn1nc(-c2ccccc2)ccc1=O)C(=O)NCc1ccc(F)c(F)c1 ZINC000786573257 1080697525 /nfs/dbraw/zinc/69/75/25/1080697525.db2.gz WUDGTIGCJOEDLU-INIZCTEOSA-N 0 0 422.391 2.214 20 30 HEEDRN N#C[C@@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000786572808 1080698214 /nfs/dbraw/zinc/69/82/14/1080698214.db2.gz SPANNXVQVHTGGT-IAGOWNOFSA-N 0 0 411.408 2.339 20 30 HEEDRN C[C@@H](C(=O)[C@@H](C#N)C(=O)NCc1ccc(F)c(F)c1)n1nnc(-c2ccccc2)n1 ZINC000786572414 1080698655 /nfs/dbraw/zinc/69/86/55/1080698655.db2.gz PJEHWPOOLJHQPT-SWLSCSKDSA-N 0 0 410.384 2.205 20 30 HEEDRN C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC000768710804 1080727106 /nfs/dbraw/zinc/72/71/06/1080727106.db2.gz XBMSIMXYOAMEBH-BTYIYWSLSA-N 0 0 407.511 2.234 20 30 HEEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)CCN(C)C(=O)OC(C)(C)C ZINC000768729390 1080757063 /nfs/dbraw/zinc/75/70/63/1080757063.db2.gz OYJYJPVKKOBNKV-UHFFFAOYSA-N 0 0 414.510 2.476 20 30 HEEDRN 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Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCc1ccccc1C(C)(C)C#N ZINC000768037342 1080278832 /nfs/dbraw/zinc/27/88/32/1080278832.db2.gz ZKEFPLICNNWZKC-AWEZNQCLSA-N 0 0 418.519 2.248 20 30 HEEDRN COC(=O)c1ccc(CNc2ccc(S(N)(=O)=O)cc2C#N)c(Br)c1 ZINC000785850335 1080281131 /nfs/dbraw/zinc/28/11/31/1080281131.db2.gz LBQZKFASLCSLNY-UHFFFAOYSA-N 0 0 424.276 2.367 20 30 HEEDRN N#Cc1ccc(I)c(OS(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000798463639 1080316940 /nfs/dbraw/zinc/31/69/40/1080316940.db2.gz LIQBGNXXLPZCDF-NSHDSACASA-N 0 0 407.229 2.441 20 30 HEEDRN Cc1cc(NC(=O)C(=O)N2CCN(c3ccc(C)c(C)c3)C[C@H]2C)nn1CCC#N ZINC000768089860 1080322088 /nfs/dbraw/zinc/32/20/88/1080322088.db2.gz IMSLNQFNFWVOCG-GOSISDBHSA-N 0 0 408.506 2.398 20 30 HEEDRN CCCc1c(NC(=O)C(=O)N2CCC(OC(C)=O)CC2)cnn1-c1cccc(C#N)c1 ZINC000785986900 1080348819 /nfs/dbraw/zinc/34/88/19/1080348819.db2.gz ANKQYFXNJMXVPT-UHFFFAOYSA-N 0 0 423.473 2.189 20 30 HEEDRN CCCc1c(NC(=O)C(=O)NC[C@@H](OC)C(F)(F)F)cnn1-c1cccc(C#N)c1 ZINC000785993411 1080354170 /nfs/dbraw/zinc/35/41/70/1080354170.db2.gz XEPDKNPKOHFCSY-MRXNPFEDSA-N 0 0 423.395 2.328 20 30 HEEDRN COCCN(CCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C(=O)OC(C)(C)C ZINC000768125427 1080359286 /nfs/dbraw/zinc/35/92/86/1080359286.db2.gz MYOFHKUZIGBFSM-UHFFFAOYSA-N 0 0 424.885 2.150 20 30 HEEDRN N#C[C@@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1c(Cl)cccc1Cl ZINC000768140150 1080370484 /nfs/dbraw/zinc/37/04/84/1080370484.db2.gz LQHCSKPJKXRFID-CYBMUJFWSA-N 0 0 411.270 2.172 20 30 HEEDRN N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000786009711 1080372230 /nfs/dbraw/zinc/37/22/30/1080372230.db2.gz JPGFDYVGOTXSMH-QGZVFWFLSA-N 0 0 416.453 2.106 20 30 HEEDRN COc1cccc([C@H](C#N)NC(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)c1OC ZINC000768155389 1080374670 /nfs/dbraw/zinc/37/46/70/1080374670.db2.gz GAUMUPQDGDQCHA-ZWKOTPCHSA-N 0 0 424.436 2.303 20 30 HEEDRN COc1cccc([C@H](C#N)NC(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)c1OC ZINC000768155388 1080374809 /nfs/dbraw/zinc/37/48/09/1080374809.db2.gz 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C#CCN(C(=O)Nc1ccc(C)c(C(=O)N2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000786196589 1080468330 /nfs/dbraw/zinc/46/83/30/1080468330.db2.gz HEXHSBJJHDWVEP-GOSISDBHSA-N 0 0 417.531 2.275 20 30 HEEDRN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)COC(=O)[C@H]2CCC(=O)N2C)c1C#N ZINC000786178983 1080481684 /nfs/dbraw/zinc/48/16/84/1080481684.db2.gz TUMIOQHSVCECTN-QGZVFWFLSA-N 0 0 412.421 2.207 20 30 HEEDRN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)COC(=O)[C@H]2CCC(=O)N2C)c1C#N ZINC000786180043 1080482504 /nfs/dbraw/zinc/48/25/04/1080482504.db2.gz JEUBGURDJXEZHW-QGZVFWFLSA-N 0 0 412.421 2.207 20 30 HEEDRN N#Cc1ccc(CNC(=O)COC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000746573714 1080504602 /nfs/dbraw/zinc/50/46/02/1080504602.db2.gz NXXCDHRLLDKOHI-UHFFFAOYSA-N 0 0 405.370 2.125 20 30 HEEDRN C[C@H](OC(=O)CNc1ccc(C(N)=O)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000786271313 1080520553 /nfs/dbraw/zinc/52/05/53/1080520553.db2.gz DHDAPQGCJCFTJX-NSHDSACASA-N 0 0 412.471 2.190 20 30 HEEDRN Cc1ccc(N2CCNC2=O)cc1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000786272634 1080521103 /nfs/dbraw/zinc/52/11/03/1080521103.db2.gz NDRDBNUFZONXMU-UHFFFAOYSA-N 0 0 405.462 2.145 20 30 HEEDRN Cc1nc(Cn2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)nn2)no1 ZINC000786306423 1080526543 /nfs/dbraw/zinc/52/65/43/1080526543.db2.gz JRJABHZOIRYUGI-JTQLQIEISA-N 0 0 420.216 2.286 20 30 HEEDRN Cn1c(SCCCC(=O)ONC(=N)c2cccs2)nnc1-c1cnccn1 ZINC000768407265 1080528857 /nfs/dbraw/zinc/52/88/57/1080528857.db2.gz OYVAJPLIHHUMSR-UHFFFAOYSA-N 0 0 403.493 2.070 20 30 HEEDRN C=CCn1c(S[C@H](C)C(=O)Nc2sccc2C(N)=O)nnc1-c1cnccn1 ZINC000768411400 1080530464 /nfs/dbraw/zinc/53/04/64/1080530464.db2.gz GUIJTZBNVPSXCN-SNVBAGLBSA-N 0 0 415.504 2.201 20 30 HEEDRN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)CNc2ccc(C(N)=O)cc2)cc1 ZINC000786286934 1080531300 /nfs/dbraw/zinc/53/13/00/1080531300.db2.gz VWUFLLURABFJJU-MRXNPFEDSA-N 0 0 408.458 2.384 20 30 HEEDRN COc1cccc(-c2nnc(S[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)n2N)c1 ZINC000768433880 1080554097 /nfs/dbraw/zinc/55/40/97/1080554097.db2.gz 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CCCS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)NCc1ccc(C#N)cc1 ZINC000746580880 1080583069 /nfs/dbraw/zinc/58/30/69/1080583069.db2.gz SOFSDNOHYRPIBA-UHFFFAOYSA-N 0 0 415.471 2.183 20 30 HEEDRN CN(C(=O)CN1C(=O)N[C@@](C)(c2cccnc2Cl)C1=O)C1(C#N)CCCCC1 ZINC000768463581 1080584685 /nfs/dbraw/zinc/58/46/85/1080584685.db2.gz RQBNGIVQRPXENG-SFHVURJKSA-N 0 0 403.870 2.187 20 30 HEEDRN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(C)C2(C#N)CCCCC2)C1=O ZINC000768473906 1080590132 /nfs/dbraw/zinc/59/01/32/1080590132.db2.gz PRCOBTMLPSGGCT-NRFANRHFSA-N 0 0 412.490 2.456 20 30 HEEDRN Cc1c(CC(=O)OCC(=O)NCc2cccc(C#N)c2)nnn1-c1ccc(C)cc1 ZINC000746582926 1080592294 /nfs/dbraw/zinc/59/22/94/1080592294.db2.gz DKDGWVXLTZVQMI-UHFFFAOYSA-N 0 0 403.442 2.158 20 30 HEEDRN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000804369279 1080596652 /nfs/dbraw/zinc/59/66/52/1080596652.db2.gz YLMMBIOBEROAKP-QGZVFWFLSA-N 0 0 414.384 2.025 20 30 HEEDRN C=CCCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 ZINC000786430986 1080597657 /nfs/dbraw/zinc/59/76/57/1080597657.db2.gz CVWFNCPULHHRIM-RELWKKBWSA-N 0 0 420.535 2.253 20 30 HEEDRN CCOC(=O)C1=C(CN2CC[C@](F)(C#N)C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000786437498 1080600873 /nfs/dbraw/zinc/60/08/73/1080600873.db2.gz QXLNRCCDSGAMIX-LPHOPBHVSA-N 0 0 406.845 2.449 20 30 HEEDRN C[C@@H]1CC(NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)=NO1 ZINC000786483311 1080626377 /nfs/dbraw/zinc/62/63/77/1080626377.db2.gz GJDUCCANMJNDIR-HIFRSBDPSA-N 0 0 405.451 2.252 20 30 HEEDRN N#Cc1ccc(CNC(=O)COC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)cc1 ZINC000746585095 1080638207 /nfs/dbraw/zinc/63/82/07/1080638207.db2.gz ZXWGAGSIVHOOLK-MRXNPFEDSA-N 0 0 413.380 2.049 20 30 HEEDRN N#Cc1ccc(CNC(=O)COC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)cc1 ZINC000746585082 1080638225 /nfs/dbraw/zinc/63/82/25/1080638225.db2.gz ZIQFTQWHUKQENN-GOSISDBHSA-N 0 0 411.483 2.013 20 30 HEEDRN C=C[C@@](C)(CC)COC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000786522858 1080646997 /nfs/dbraw/zinc/64/69/97/1080646997.db2.gz 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N#C[C@@H](C(=O)CN1C(=O)CSc2ccccc21)C(=O)NCc1ccc(F)c(F)c1 ZINC000786563191 1080689276 /nfs/dbraw/zinc/68/92/76/1080689276.db2.gz HISHZWACUAHBDU-ZDUSSCGKSA-N 0 0 415.421 2.429 20 30 HEEDRN N#C[C@H](C(=O)NCc1ccc(F)cc1F)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000786565106 1080691475 /nfs/dbraw/zinc/69/14/75/1080691475.db2.gz VNBQBDYENHVVEJ-AEFFLSMTSA-N 0 0 411.408 2.339 20 30 HEEDRN COc1ccc(CC(=O)[C@H](C#N)C(=O)NCc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000786565693 1080692251 /nfs/dbraw/zinc/69/22/51/1080692251.db2.gz TVWZIOSAOJRWKG-ZDUSSCGKSA-N 0 0 403.341 2.449 20 30 HEEDRN N#C[C@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000786567508 1080693613 /nfs/dbraw/zinc/69/36/13/1080693613.db2.gz CGTUWVXTWUEKGD-INIZCTEOSA-N 0 0 424.407 2.468 20 30 HEEDRN N#C[C@H](C(=O)Cn1cc(C(N)=O)c2ccccc21)C(=O)NCc1ccc(F)c(F)c1 ZINC000786568473 1080694271 /nfs/dbraw/zinc/69/42/71/1080694271.db2.gz HHVLYCYABFXPAW-CQSZACIVSA-N 0 0 410.380 2.044 20 30 HEEDRN 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/nfs/dbraw/zinc/85/05/40/1076850540.db2.gz ZDUQBULULOTKKE-INIZCTEOSA-N 0 0 415.515 2.316 20 30 HEEDRN Cc1cccc(C)c1OCCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742544964 1076850577 /nfs/dbraw/zinc/85/05/77/1076850577.db2.gz ZDUQBULULOTKKE-MRXNPFEDSA-N 0 0 415.515 2.316 20 30 HEEDRN Cc1nccn1-c1ncccc1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742552997 1076851304 /nfs/dbraw/zinc/85/13/04/1076851304.db2.gz BOOZWLGSBJGKFY-CYBMUJFWSA-N 0 0 424.486 2.032 20 30 HEEDRN Cc1nc(-c2cccc(NC(=O)C[C@H](C)N=C3NS(=O)(=O)c4ccccc43)c2)n[nH]1 ZINC000742562375 1076852198 /nfs/dbraw/zinc/85/21/98/1076852198.db2.gz GTPXTMUFYGELCM-LBPRGKRZSA-N 0 0 424.486 2.236 20 30 HEEDRN C[C@H](CC(=O)Nc1nccn1Cc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742571138 1076852326 /nfs/dbraw/zinc/85/23/26/1076852326.db2.gz XIBVSYGUGZFGTN-OAHLLOKOSA-N 0 0 423.498 2.387 20 30 HEEDRN C[C@@H](CC(=O)N(C)CCc1ccc(F)cc1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742578046 1076852971 /nfs/dbraw/zinc/85/29/71/1076852971.db2.gz KFJWJFZEWAGQPU-AWEZNQCLSA-N 0 0 403.479 2.344 20 30 HEEDRN C=CCN(CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)CC(=O)OCC ZINC000742607605 1076855966 /nfs/dbraw/zinc/85/59/66/1076855966.db2.gz WQJWFRAAEQJCRF-UHFFFAOYSA-N 0 0 402.491 2.394 20 30 HEEDRN COc1cc(F)c(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1OC ZINC000742647617 1076857947 /nfs/dbraw/zinc/85/79/47/1076857947.db2.gz GTAQJHRSTZVGDN-NSHDSACASA-N 0 0 421.450 2.299 20 30 HEEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1cc2c(c(Cl)c1)OCO2 ZINC000766284933 1076863762 /nfs/dbraw/zinc/86/37/62/1076863762.db2.gz USJQIEBGBYYDJR-LLVKDONJSA-N 0 0 422.846 2.351 20 30 HEEDRN C[C@H](CC(=O)N(C[C@H]1CCCO1)C1CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742711817 1076865870 /nfs/dbraw/zinc/86/58/70/1076865870.db2.gz LEUXOUMOQFZHQL-NVXWUHKLSA-N 0 0 419.547 2.454 20 30 HEEDRN C[C@H](CC(=O)N(C[C@@H]1CCCO1)C1CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742711819 1076865890 /nfs/dbraw/zinc/86/58/90/1076865890.db2.gz LEUXOUMOQFZHQL-WBVHZDCISA-N 0 0 419.547 2.454 20 30 HEEDRN Cc1cccc(O[C@H](C)CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000742713208 1076866085 /nfs/dbraw/zinc/86/60/85/1076866085.db2.gz UOECBEQJCJGDEO-JKSUJKDBSA-N 0 0 415.515 2.396 20 30 HEEDRN Cc1ccc([C@@H]2COCCN2C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)o1 ZINC000742685013 1076866334 /nfs/dbraw/zinc/86/63/34/1076866334.db2.gz LRSUTIKFAXWGAL-BBRMVZONSA-N 0 0 417.487 2.005 20 30 HEEDRN Cc1ccc([C@@H]2COCCN2C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)o1 ZINC000742685015 1076866654 /nfs/dbraw/zinc/86/66/54/1076866654.db2.gz LRSUTIKFAXWGAL-CJNGLKHVSA-N 0 0 417.487 2.005 20 30 HEEDRN C[C@H](CC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742687106 1076866668 /nfs/dbraw/zinc/86/66/68/1076866668.db2.gz DQKUDMFAUQOVLX-VCBZYWHSSA-N 0 0 421.563 2.461 20 30 HEEDRN C#CCOc1cc(F)ccc1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742706123 1076869360 /nfs/dbraw/zinc/86/93/60/1076869360.db2.gz BGLOGVZBYDUXAC-CYBMUJFWSA-N 0 0 415.446 2.294 20 30 HEEDRN COC(=O)c1cccc(NC(=O)COC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c1 ZINC000742734179 1076871802 /nfs/dbraw/zinc/87/18/02/1076871802.db2.gz QFOMZIJVONOGHI-UHFFFAOYSA-N 0 0 411.414 2.177 20 30 HEEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2nccn2Cc2ccccc2)cc1 ZINC000742783262 1076878040 /nfs/dbraw/zinc/87/80/40/1076878040.db2.gz DFDDACGZCQBAFL-UHFFFAOYSA-N 0 0 422.510 2.115 20 30 HEEDRN C#CCCCNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000742785651 1076879004 /nfs/dbraw/zinc/87/90/04/1076879004.db2.gz BRRWCIXECXSQGC-GOSISDBHSA-N 0 0 406.548 2.047 20 30 HEEDRN C=CCOc1ccc(OC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000742862480 1076889715 /nfs/dbraw/zinc/88/97/15/1076889715.db2.gz HRRVTDPPWBMQGN-UHFFFAOYSA-N 0 0 418.471 2.436 20 30 HEEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](OC)c2cccc(Cl)c2)cc1 ZINC000742866108 1076890035 /nfs/dbraw/zinc/89/00/35/1076890035.db2.gz WNAITFWCBWWYKV-SFHVURJKSA-N 0 0 406.891 2.369 20 30 HEEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(CC)cc3)CC2)cc1 ZINC000742905870 1076896180 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LROZFNDIDGEFNZ-HNNXBMFYSA-N 0 0 404.492 2.114 20 30 HEEDRN C[C@H](CC(=O)OCc1ccc(OCC#N)cc1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000745496713 1078512543 /nfs/dbraw/zinc/51/25/43/1078512543.db2.gz OPZZFTUIIMHLEO-CQSZACIVSA-N 0 0 413.455 2.149 20 30 HEEDRN CC(C)N(C(=O)[C@@H](C)OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(C)C ZINC000745496674 1078512674 /nfs/dbraw/zinc/51/26/74/1078512674.db2.gz NSQANHRRNPFDGI-HUUCEWRRSA-N 0 0 423.535 2.081 20 30 HEEDRN C[C@H](CC(=O)O[C@H](C)c1nc(C(C)(C)C)no1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000745498591 1078515077 /nfs/dbraw/zinc/51/50/77/1078515077.db2.gz YGDUAIWQKCLVBD-VXGBXAGGSA-N 0 0 420.491 2.489 20 30 HEEDRN N#Cc1ccccc1COC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 ZINC000745506402 1078518506 /nfs/dbraw/zinc/51/85/06/1078518506.db2.gz CUXNZPOWFIZUAQ-UHFFFAOYSA-N 0 0 406.485 2.122 20 30 HEEDRN CC(C)(C)C(=O)Nc1nc(CC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)cs1 ZINC000745511815 1078520597 /nfs/dbraw/zinc/52/05/97/1078520597.db2.gz GYVXSMBNQKTZTP-OAHLLOKOSA-N 0 0 400.460 2.312 20 30 HEEDRN COCCn1cc(C(=O)Oc2c(Br)cc(C#N)cc2OC)ccc1=O ZINC000769717258 1078533982 /nfs/dbraw/zinc/53/39/82/1078533982.db2.gz ZQUWXFGSOTWQOO-UHFFFAOYSA-N 0 0 407.220 2.357 20 30 HEEDRN CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)OCCOc1cccc(C#N)c1 ZINC000745540577 1078533361 /nfs/dbraw/zinc/53/33/61/1078533361.db2.gz RDSCGQPFBAQJOI-MRXNPFEDSA-N 0 0 417.487 2.474 20 30 HEEDRN CCC1(CC)NC(=O)N(CC(=O)Oc2c(Br)cc(C#N)cc2OC)C1=O ZINC000769722017 1078536012 /nfs/dbraw/zinc/53/60/12/1078536012.db2.gz KYTYTAYZYDUMQA-UHFFFAOYSA-N 0 0 424.251 2.345 20 30 HEEDRN C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(Cl)c1 ZINC000769723774 1078536503 /nfs/dbraw/zinc/53/65/03/1078536503.db2.gz OFSRBBDEMDGGEC-LBPRGKRZSA-N 0 0 421.862 2.060 20 30 HEEDRN C[C@H](OC(=O)c1nccnc1NC(=O)C(C)(C)C)C(=O)NC1(C#N)CCCCC1 ZINC000745564292 1078540267 /nfs/dbraw/zinc/54/02/67/1078540267.db2.gz IKBRABLIIMLEBX-ZDUSSCGKSA-N 0 0 401.467 2.349 20 30 HEEDRN C[C@H](OC(=O)c1cn(Cc2ccccn2)nn1)C(=O)N(CCC#N)c1ccccc1 ZINC000745578629 1078551228 /nfs/dbraw/zinc/55/12/28/1078551228.db2.gz VVUDVRXJJRNJFA-INIZCTEOSA-N 0 0 404.430 2.214 20 30 HEEDRN C[C@@H](OC(=O)c1cn(Cc2ccccn2)nn1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000745579701 1078551314 /nfs/dbraw/zinc/55/13/14/1078551314.db2.gz YGSQJVRSYFYDBV-GFCCVEGCSA-N 0 0 410.821 2.430 20 30 HEEDRN CCOC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2C)C1 ZINC000769734126 1078552849 /nfs/dbraw/zinc/55/28/49/1078552849.db2.gz AXXZKFCXGFTUBL-HOCLYGCPSA-N 0 0 418.519 2.293 20 30 HEEDRN COC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)Cc2ccccc21 ZINC001170010250 1078552879 /nfs/dbraw/zinc/55/28/79/1078552879.db2.gz UPWNZEMEYWDKGK-QGZVFWFLSA-N 0 0 416.430 2.036 20 30 HEEDRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000745589328 1078553113 /nfs/dbraw/zinc/55/31/13/1078553113.db2.gz HRHPXDUCIAUZAB-FQEVSTJZSA-N 0 0 405.454 2.217 20 30 HEEDRN CCN(C[C@H](C)C#N)C(=O)COC(=O)COc1ccc(C=O)cc1Br ZINC000745589535 1078555721 /nfs/dbraw/zinc/55/57/21/1078555721.db2.gz UYEKTMICFSCRAM-GFCCVEGCSA-N 0 0 411.252 2.192 20 30 HEEDRN N#Cc1ccc(CNC(=O)COC(=O)c2cc(Br)ncc2[N+](=O)[O-])cc1 ZINC000769825422 1078589145 /nfs/dbraw/zinc/58/91/45/1078589145.db2.gz JYMBJUCXOQXNOP-UHFFFAOYSA-N 0 0 419.191 2.097 20 30 HEEDRN C#CCN(CC#CC)C(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000745654263 1078578217 /nfs/dbraw/zinc/57/82/17/1078578217.db2.gz VPFWMQKSLWZBPP-GOSISDBHSA-N 0 0 401.532 2.275 20 30 HEEDRN CCOC(=O)c1nn(C)cc1[C@@H]1NC(=S)NC(c2ccc(F)cc2)=C1C(C)=O ZINC000769856618 1078578699 /nfs/dbraw/zinc/57/86/99/1078578699.db2.gz ZHKWSKOJPKURMR-INIZCTEOSA-N 0 0 402.451 2.255 20 30 HEEDRN CCOC(=O)c1cnn2c1nccc2C(=O)OCC(=O)N(CCC#N)c1ccccc1 ZINC000769839478 1078600407 /nfs/dbraw/zinc/60/04/07/1078600407.db2.gz KMFNYGGTAABKCG-UHFFFAOYSA-N 0 0 421.413 2.010 20 30 HEEDRN CCCn1c(CO)nn(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1=S ZINC000769842485 1078603093 /nfs/dbraw/zinc/60/30/93/1078603093.db2.gz YKIWHXJNAZMEPC-UHFFFAOYSA-N 0 0 414.535 2.496 20 30 HEEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000769842881 1078604215 /nfs/dbraw/zinc/60/42/15/1078604215.db2.gz LJTQLNYKEUZPIT-UHFFFAOYSA-N 0 0 420.315 2.275 20 30 HEEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])ccc1F ZINC000737584916 1078605517 /nfs/dbraw/zinc/60/55/17/1078605517.db2.gz WJGMMKPVOPSQCG-UHFFFAOYSA-N 0 0 405.407 2.401 20 30 HEEDRN C#CCN(CC#CC)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000745738114 1078622993 /nfs/dbraw/zinc/62/29/93/1078622993.db2.gz UALVYQGGVAZCMO-UHFFFAOYSA-N 0 0 420.492 2.110 20 30 HEEDRN C=CCN(CC=C)C(=O)COC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000769871943 1078638612 /nfs/dbraw/zinc/63/86/12/1078638612.db2.gz NAVDPFSAPYFNGD-UHFFFAOYSA-N 0 0 416.293 2.210 20 30 HEEDRN N#Cc1ccc(NC(=O)COC(=O)c2nccn3c(Br)cnc23)cc1 ZINC000769879462 1078640614 /nfs/dbraw/zinc/64/06/14/1078640614.db2.gz OVOKSBPKRZMZRG-UHFFFAOYSA-N 0 0 400.192 2.159 20 30 HEEDRN CC1(C)CCCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)[C@H]1C#N ZINC000769892089 1078646181 /nfs/dbraw/zinc/64/61/81/1078646181.db2.gz GOTYLDHSVYFEFL-KRWDZBQOSA-N 0 0 417.535 2.110 20 30 HEEDRN CC[C@@H](NC(=O)NCCNC(=O)C1N=CC=CC1=O)c1nc(C(F)(F)F)cs1 ZINC000745813730 1078657852 /nfs/dbraw/zinc/65/78/52/1078657852.db2.gz QZMMEZFOJSQCCY-TWLKNAOBSA-N 0 0 417.413 2.439 20 30 HEEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1nc(-c2ccccc2)no1 ZINC000766335261 1078669694 /nfs/dbraw/zinc/66/96/94/1078669694.db2.gz HLQYOXMOCNTQFQ-ZDUSSCGKSA-N 0 0 412.427 2.018 20 30 HEEDRN CCOC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)cc1C#N ZINC000770009639 1078684794 /nfs/dbraw/zinc/68/47/94/1078684794.db2.gz YUGJFWVUKSKCCT-UHFFFAOYSA-N 0 0 417.447 2.024 20 30 HEEDRN C#CCNC(=O)C1CCN(C(=O)N[C@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)CC1 ZINC000745931236 1078700727 /nfs/dbraw/zinc/70/07/27/1078700727.db2.gz IAXVMJSKTRFLAI-KDOFPFPSSA-N 0 0 412.490 2.028 20 30 HEEDRN COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cnn3cc(Br)cnc23)c1 ZINC000770099948 1078723442 /nfs/dbraw/zinc/72/34/42/1078723442.db2.gz NYXDPQFIYSEIAF-ZDUSSCGKSA-N 0 0 414.219 2.462 20 30 HEEDRN Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c1C ZINC000770101395 1078724508 /nfs/dbraw/zinc/72/45/08/1078724508.db2.gz DKQQXVPMODTLIQ-GOSISDBHSA-N 0 0 423.535 2.057 20 30 HEEDRN C#CCN(Cc1oc(-c2ccccc2)nc1C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000745984085 1078726339 /nfs/dbraw/zinc/72/63/39/1078726339.db2.gz LYCKBBZSIHDKLE-MRXNPFEDSA-N 0 0 402.472 2.141 20 30 HEEDRN C=CCNc1ncc(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 ZINC000770107692 1078728838 /nfs/dbraw/zinc/72/88/38/1078728838.db2.gz NVJKEQSVZIIURH-UHFFFAOYSA-N 0 0 404.467 2.386 20 30 HEEDRN C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000770110464 1078732924 /nfs/dbraw/zinc/73/29/24/1078732924.db2.gz KGRAEBGNGCMKDR-HIFRSBDPSA-N 0 0 416.565 2.158 20 30 HEEDRN C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000770110466 1078732969 /nfs/dbraw/zinc/73/29/69/1078732969.db2.gz KGRAEBGNGCMKDR-ZFWWWQNUSA-N 0 0 416.565 2.158 20 30 HEEDRN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@]3(C#N)CCc4ccccc4C3)C2=O)cc1 ZINC000770113567 1078734481 /nfs/dbraw/zinc/73/44/81/1078734481.db2.gz SROBLJCWHOHCGU-DNQXCXABSA-N 0 0 416.481 2.330 20 30 HEEDRN O=C(CN(Cc1ccccc1)Cc1ccccc1)NCCNC(=O)C1N=CC=CC1=O ZINC000746020001 1078736812 /nfs/dbraw/zinc/73/68/12/1078736812.db2.gz GQXHVYSWLFJSLD-VHXPQNKSSA-N 0 0 418.497 2.331 20 30 HEEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000746058622 1078767161 /nfs/dbraw/zinc/76/71/61/1078767161.db2.gz OEGUKCXNJJDRDC-UHFFFAOYSA-N 0 0 409.807 2.142 20 30 HEEDRN CN(Cc1cccc(NC(=O)CCNC(=O)C2N=CC=CC2=O)c1)C(=O)C(F)(F)F ZINC000746121829 1078796451 /nfs/dbraw/zinc/79/64/51/1078796451.db2.gz MKVHUKUUYOJDLV-WUKNDPDISA-N 0 0 424.379 2.062 20 30 HEEDRN N#CCOc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)c1 ZINC000746128423 1078800114 /nfs/dbraw/zinc/80/01/14/1078800114.db2.gz FMMNVKUHVXJHRD-UHFFFAOYSA-N 0 0 416.390 2.337 20 30 HEEDRN CC1CCN(C(=O)c2ccc(NC(=O)CCNC(=O)C3N=CC=CC3=O)cc2)CC1 ZINC000746148587 1078806535 /nfs/dbraw/zinc/80/65/35/1078806535.db2.gz CEYNYOMNILVBDE-QZQOTICOSA-N 0 0 410.474 2.414 20 30 HEEDRN CON=Cc1ccc(C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000746152029 1078807506 /nfs/dbraw/zinc/80/75/06/1078807506.db2.gz XXJAECJBEIZLPW-UHFFFAOYSA-N 0 0 401.331 2.099 20 30 HEEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccnc1Br ZINC000770291148 1078817784 /nfs/dbraw/zinc/81/77/84/1078817784.db2.gz SZQKXLSCURXSPA-LLVKDONJSA-N 0 0 402.256 2.248 20 30 HEEDRN O=C(CCNC(=O)C1N=CC=CC1=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000746209092 1078819254 /nfs/dbraw/zinc/81/92/54/1078819254.db2.gz VEESRHNKVWEVFN-NXDJFEHLSA-N 0 0 407.829 2.296 20 30 HEEDRN Cc1cc(N2CCSCC2)ccc1NC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000746187098 1078819571 /nfs/dbraw/zinc/81/95/71/1078819571.db2.gz XQLWUORQPUHLTB-VXPUYCOJSA-N 0 0 400.504 2.403 20 30 HEEDRN C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1CN(C)CCO1 ZINC000770299145 1078822837 /nfs/dbraw/zinc/82/28/37/1078822837.db2.gz RHIAXSNHAUZYEW-ZLGUVYLKSA-N 0 0 406.486 2.116 20 30 HEEDRN 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N#Cc1ccc(-c2nnc(COC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)o2)cc1 ZINC000741823817 1076645775 /nfs/dbraw/zinc/64/57/75/1076645775.db2.gz IBQUNKZQQGYQML-HZPDHXFCSA-N 0 0 408.414 2.217 20 30 HEEDRN N#Cc1cccc(-c2nnc(COC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)o2)c1 ZINC000741825919 1076647255 /nfs/dbraw/zinc/64/72/55/1076647255.db2.gz XFXXJWHWRFYBPS-HOTGVXAUSA-N 0 0 408.414 2.217 20 30 HEEDRN C[C@@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N(C)CCC#N ZINC000741827236 1076647542 /nfs/dbraw/zinc/64/75/42/1076647542.db2.gz HCTNRCWSTASFDU-XLIONFOSSA-N 0 0 407.470 2.331 20 30 HEEDRN CCC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)c1c(C)nn(C)c1C ZINC000741841432 1076652304 /nfs/dbraw/zinc/65/23/04/1076652304.db2.gz DAGANPSCIARUHM-UHFFFAOYSA-N 0 0 418.567 2.199 20 30 HEEDRN CN(C)S(=O)(=O)c1cccc(NC(=S)NCCOc2ccc(C#N)cc2)c1 ZINC000741866679 1076659085 /nfs/dbraw/zinc/65/90/85/1076659085.db2.gz VCGHSOBCXVKDJI-UHFFFAOYSA-N 0 0 404.517 2.174 20 30 HEEDRN C#Cc1cccc(NC(=O)CNC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)c1 ZINC000741907142 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C[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)Oc1cccc(F)c1 ZINC000742136394 1076751384 /nfs/dbraw/zinc/75/13/84/1076751384.db2.gz STFAXMUKWTZYPF-CQSZACIVSA-N 0 0 419.478 2.228 20 30 HEEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2)cc1 ZINC000742139912 1076753468 /nfs/dbraw/zinc/75/34/68/1076753468.db2.gz AGHMSCDCKVVHGJ-IBGZPJMESA-N 0 0 411.527 2.305 20 30 HEEDRN COc1ccc(C=c2sc(=C(C#N)C#N)n(CCc3ccccc3)c2=O)cc1C#N ZINC000742143630 1076755777 /nfs/dbraw/zinc/75/57/77/1076755777.db2.gz KLHYISVSXKKVIV-UHFFFAOYSA-N 0 0 412.474 2.059 20 30 HEEDRN Cc1ncc(C=c2sc(=C(C#N)C#N)n([C@@H]3CCOc4ccccc43)c2=O)s1 ZINC000742144639 1076756785 /nfs/dbraw/zinc/75/67/85/1076756785.db2.gz QKOATPWAUVLYQI-MRXNPFEDSA-N 0 0 406.492 2.073 20 30 HEEDRN COc1ccc(C=c2sc(=C(C#N)C#N)n(C(C3CC3)C3CC3)c2=O)cc1C#N ZINC000742144186 1076757201 /nfs/dbraw/zinc/75/72/01/1076757201.db2.gz YNDHOXHJSUIHOU-UHFFFAOYSA-N 0 0 402.479 2.178 20 30 HEEDRN COc1ccc(-c2nn(CN3CCOC[C@H]3C#N)c(=S)n2C[C@H]2CCCO2)cc1 ZINC000742165401 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Cn1ccc(N2CCC[C@H](ON=C(N)c3cccnc3Oc3ccccc3)C2=O)n1 ZINC000742356518 1076830126 /nfs/dbraw/zinc/83/01/26/1076830126.db2.gz FEQNVFJNMAISNG-KRWDZBQOSA-N 0 0 406.446 2.440 20 30 HEEDRN O=C(C=NOCC(=O)NCCOc1cccc(Cl)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000742351900 1076832782 /nfs/dbraw/zinc/83/27/82/1076832782.db2.gz RMOINDPGTKIFCR-UHFFFAOYSA-N 0 0 420.809 2.384 20 30 HEEDRN N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000742399362 1076837712 /nfs/dbraw/zinc/83/77/12/1076837712.db2.gz OGSVJIIGTQTVNI-UHFFFAOYSA-N 0 0 408.487 2.375 20 30 HEEDRN C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccccc2-n2cccn2)ccc1F ZINC000742466909 1076842345 /nfs/dbraw/zinc/84/23/45/1076842345.db2.gz GXVGGBIOIZDYJI-UHFFFAOYSA-N 0 0 414.462 2.406 20 30 HEEDRN C[C@@H](Sc1nnc(C2CCOCC2)n1N)C(=O)N(CCC#N)c1ccccc1 ZINC000742457046 1076843599 /nfs/dbraw/zinc/84/35/99/1076843599.db2.gz MVXMIAQCRGGLPX-CQSZACIVSA-N 0 0 400.508 2.313 20 30 HEEDRN C[C@@H](CC(=O)Nc1nc2c(s1)CCCC2)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742492232 1076844381 /nfs/dbraw/zinc/84/43/81/1076844381.db2.gz CEBROQBVYWAZNT-NSHDSACASA-N 0 0 404.517 2.478 20 30 HEEDRN C[C@@H](CC(=O)NCCCN(C)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742490803 1076844389 /nfs/dbraw/zinc/84/43/89/1076844389.db2.gz FEWBRATXVCNGGY-INIZCTEOSA-N 0 0 414.531 2.146 20 30 HEEDRN C[C@@H](CC(=O)N(C)CCOc1ccc(F)cc1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742499858 1076845476 /nfs/dbraw/zinc/84/54/76/1076845476.db2.gz XSJFMDYBSITJNV-AWEZNQCLSA-N 0 0 419.478 2.180 20 30 HEEDRN C[C@H](CC(=O)N(C)Cc1ccc(F)c(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742517470 1076847118 /nfs/dbraw/zinc/84/71/18/1076847118.db2.gz CQRCCKKMJOUIMU-GFCCVEGCSA-N 0 0 407.442 2.441 20 30 HEEDRN COCCN(Cc1ccccc1)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742518469 1076847306 /nfs/dbraw/zinc/84/73/06/1076847306.db2.gz DBUIPYCQDKQCJL-MRXNPFEDSA-N 0 0 415.515 2.179 20 30 HEEDRN COc1cccc([C@H](C)NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000742524898 1076847695 /nfs/dbraw/zinc/84/76/95/1076847695.db2.gz QQHDKRHOEHOPCC-KGLIPLIRSA-N 0 0 401.488 2.390 20 30 HEEDRN COCCn1c(=O)c(=Cc2ccc(Cl)c(F)c2)sc1=C(C#N)C(=O)C(C)C ZINC000742530710 1076848226 /nfs/dbraw/zinc/84/82/26/1076848226.db2.gz DHJSJFOSHVCSSY-UHFFFAOYSA-N 0 0 408.882 2.077 20 30 HEEDRN Cc1cc(C)cc(C=c2sc(=C(C#N)C#N)n(-c3ccc4c(c3)OCCO4)c2=O)c1 ZINC000742535048 1076848486 /nfs/dbraw/zinc/84/84/86/1076848486.db2.gz MUCRVAMLGPUZDY-UHFFFAOYSA-N 0 0 415.474 2.314 20 30 HEEDRN C[C@H](CC(=O)N[C@H](C#N)c1ccc(F)cc1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742512273 1076848729 /nfs/dbraw/zinc/84/87/29/1076848729.db2.gz VXVKXHXNLGJDGC-MLGOLLRUSA-N 0 0 400.435 2.024 20 30 HEEDRN C[C@H](CC(=O)NCCc1c(F)cccc1F)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742554026 1076851339 /nfs/dbraw/zinc/85/13/39/1076851339.db2.gz UNXXKESVVJQGJX-GFCCVEGCSA-N 0 0 407.442 2.141 20 30 HEEDRN C[C@@H](CC(=O)Nc1nnc(-c2ccco2)s1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742570458 1076852490 /nfs/dbraw/zinc/85/24/90/1076852490.db2.gz QLQLVXLVHPOLKG-JTQLQIEISA-N 0 0 417.472 2.254 20 30 HEEDRN C[C@H](CC(=O)N[C@@H](C)Cc1ccccc1F)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742572840 1076852672 /nfs/dbraw/zinc/85/26/72/1076852672.db2.gz IETZTGICCAFBMF-UONOGXRCSA-N 0 0 403.479 2.390 20 30 HEEDRN C[C@@H](CC(=O)N1CCC(OC2CCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742606063 1076855588 /nfs/dbraw/zinc/85/55/88/1076855588.db2.gz GPVXUKSTTMOWLQ-HNNXBMFYSA-N 0 0 419.547 2.454 20 30 HEEDRN C[C@H](CC(=O)Nc1ccnn1C1CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742618146 1076857114 /nfs/dbraw/zinc/85/71/14/1076857114.db2.gz UYYZIWHOPGJKAO-CYBMUJFWSA-N 0 0 401.492 2.454 20 30 HEEDRN COc1cc(CCNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1C ZINC000742696875 1076868136 /nfs/dbraw/zinc/86/81/36/1076868136.db2.gz DDCBLHPEXJPJFT-OAHLLOKOSA-N 0 0 415.515 2.180 20 30 HEEDRN C#CCOc1ccc(Br)cc1CNCCS(=O)(=O)NC(C)(C)C ZINC000742699909 1076868616 /nfs/dbraw/zinc/86/86/16/1076868616.db2.gz LAQCHNWNXAIMNN-UHFFFAOYSA-N 0 0 403.342 2.269 20 30 HEEDRN N#Cc1ccc(F)c(CNC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)c1 ZINC000742733552 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405.838 2.435 20 30 HEEDRN C[C@@H](OC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)Nc1cc(Cl)ccc1F ZINC000741341553 1076475000 /nfs/dbraw/zinc/47/50/00/1076475000.db2.gz QVYWPTDIJCCNSU-RNSZASJUSA-N 0 0 409.801 2.266 20 30 HEEDRN O=C(CCNC(=O)C1N=CC=CC1=O)OCc1cccc(C(=O)NCc2ccco2)c1 ZINC000741341603 1076475453 /nfs/dbraw/zinc/47/54/53/1076475453.db2.gz LECUWTINVVVCON-LSDHQDQOSA-N 0 0 423.425 2.169 20 30 HEEDRN C[C@@H](NC(=O)COC(=O)CCNC(=O)C1N=CC=CC1=O)c1cccc2ccccc21 ZINC000741341594 1076475459 /nfs/dbraw/zinc/47/54/59/1076475459.db2.gz LBYSTARNCYQKDC-MOENWIOGSA-N 0 0 421.453 2.477 20 30 HEEDRN C[C@H](OC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)N1c2ccccc2CC[C@H]1C ZINC000741341267 1076475846 /nfs/dbraw/zinc/47/58/46/1076475846.db2.gz JVQYYOKYYQCITA-VITQKDSISA-N 0 0 411.458 2.203 20 30 HEEDRN C[C@@H](NC(=O)COC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccc2ccccc2c1 ZINC000741341241 1076475863 /nfs/dbraw/zinc/47/58/63/1076475863.db2.gz IUOHRBJTEKICGK-MOENWIOGSA-N 0 0 421.453 2.477 20 30 HEEDRN 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423.466 2.452 20 30 HEEDRN C=CCNS(=O)(=O)c1cc(C(=O)NCCc2cccc(C(=O)OC)c2)ccc1F ZINC000768520181 1080606805 /nfs/dbraw/zinc/60/68/05/1080606805.db2.gz HERBLHHZGMGEFN-UHFFFAOYSA-N 0 0 420.462 2.049 20 30 HEEDRN Cc1nc(Cn2cc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)nn2)no1 ZINC000786473987 1080615819 /nfs/dbraw/zinc/61/58/19/1080615819.db2.gz SWOLMBQPDLWEDC-UHFFFAOYSA-N 0 0 423.220 2.346 20 30 HEEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCc2nncn2-c2ccccc2)ccc1F ZINC000768563317 1080631505 /nfs/dbraw/zinc/63/15/05/1080631505.db2.gz BEXSATJGUYTKAI-UHFFFAOYSA-N 0 0 416.434 2.228 20 30 HEEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](CO)Cc2ccc(C)cc2)cc1C#N ZINC000786447666 1080633385 /nfs/dbraw/zinc/63/33/85/1080633385.db2.gz XOGSWOPTYGBOKC-GOSISDBHSA-N 0 0 424.457 2.093 20 30 HEEDRN N#Cc1ccc(OC2CCC(NS(=O)(=O)c3ccc4c(c3)C(=O)OC4)CC2)nc1 ZINC000768566127 1080634228 /nfs/dbraw/zinc/63/42/28/1080634228.db2.gz QLJJBWYEUCUFHZ-UHFFFAOYSA-N 0 0 413.455 2.292 20 30 HEEDRN N#Cc1ccc(CNC(=O)COC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)cc1 ZINC000746585094 1080638252 /nfs/dbraw/zinc/63/82/52/1080638252.db2.gz ZXWGAGSIVHOOLK-INIZCTEOSA-N 0 0 413.380 2.049 20 30 HEEDRN N#C[C@H](C(=O)CNC(=O)Cc1cccc(F)c1)C(=O)NCc1cccc(Cl)c1 ZINC000786530373 1080650052 /nfs/dbraw/zinc/65/00/52/1080650052.db2.gz HHWUANLSVYVHPI-QGZVFWFLSA-N 0 0 401.825 2.163 20 30 HEEDRN CC(=O)[C@H](Cc1ccccc1F)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000768596062 1080674612 /nfs/dbraw/zinc/67/46/12/1080674612.db2.gz OUMGVJCKVCJLBE-IBGZPJMESA-N 0 0 403.431 2.356 20 30 HEEDRN Cc1sc2ncn(CC(=O)[C@H](C#N)C(=O)NCc3cccc(C)c3)c(=O)c2c1C ZINC000786541634 1080675775 /nfs/dbraw/zinc/67/57/75/1080675775.db2.gz QKIRUCRFPYWXMQ-INIZCTEOSA-N 0 0 408.483 2.409 20 30 HEEDRN Cc1csc2ncc(C(=O)[C@H](C#N)C(=O)NCc3cccc(Cl)c3)c(=O)n12 ZINC000786545566 1080678513 /nfs/dbraw/zinc/67/85/13/1080678513.db2.gz DBKMGHXITHRXAM-ZDUSSCGKSA-N 0 0 400.847 2.357 20 30 HEEDRN O=C(CCNC(=O)C1N=CC=CC1=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000768612802 1080684020 /nfs/dbraw/zinc/68/40/20/1080684020.db2.gz 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ZINC000768650039 1080699434 /nfs/dbraw/zinc/69/94/34/1080699434.db2.gz HBMWOVYLSKALLU-KRWDZBQOSA-N 0 0 407.442 2.406 20 30 HEEDRN COCC[C@H]1CCCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000768664403 1080705865 /nfs/dbraw/zinc/70/58/65/1080705865.db2.gz SYFUEIJLKXZKPR-MRXNPFEDSA-N 0 0 407.536 2.171 20 30 HEEDRN Cc1nc(NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)n(-c2ccc(C#N)cc2)n1 ZINC000786628478 1080724673 /nfs/dbraw/zinc/72/46/73/1080724673.db2.gz BLQDONOZLHMODR-GUYCJALGSA-N 0 0 410.478 2.453 20 30 HEEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)C(=O)Nc2cccc(-n3ccnn3)c2)c1 ZINC000768722330 1080738453 /nfs/dbraw/zinc/73/84/53/1080738453.db2.gz QXYUNWCDIHPOFP-SFHVURJKSA-N 0 0 404.430 2.203 20 30 HEEDRN CC(=O)[C@H](Cc1cccc(Cl)c1F)OC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000768720698 1080738681 /nfs/dbraw/zinc/73/86/81/1080738681.db2.gz ZHKFWSJPTWJKGC-MJWGMMHASA-N 0 0 408.813 2.439 20 30 HEEDRN C#Cc1cccc(NC(=O)C(=O)NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000768738637 1080763743 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ZINC000769099620 1080908901 /nfs/dbraw/zinc/90/89/01/1080908901.db2.gz MQEOIDINQIDPEH-JTSKRJEESA-N 0 0 406.442 2.352 20 30 HEEDRN C[C@@H](C(=O)OCC(=O)NCc1cccc(C#N)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000786981816 1080938352 /nfs/dbraw/zinc/93/83/52/1080938352.db2.gz SAYSIZDLGHFQAF-CQSZACIVSA-N 0 0 401.463 2.221 20 30 HEEDRN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)COC(=O)C2(C(N)=O)CCC2)c1C#N ZINC000769116195 1080940687 /nfs/dbraw/zinc/94/06/87/1080940687.db2.gz ZMLSIFDHHYSTGH-UHFFFAOYSA-N 0 0 412.421 2.242 20 30 HEEDRN CC[C@H](NC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccccc1 ZINC000787035455 1080959418 /nfs/dbraw/zinc/95/94/18/1080959418.db2.gz DWASLDCHMWAHFE-XQNUDUSMSA-N 0 0 424.501 2.463 20 30 HEEDRN COc1ccc(CNC(=O)C(=O)NCCc2ccc(Br)cc2)cc1C#N ZINC000787043359 1080966370 /nfs/dbraw/zinc/96/63/70/1080966370.db2.gz AGDVNXZKPBVDCX-UHFFFAOYSA-N 0 0 416.275 2.304 20 30 HEEDRN C#CCNC(=O)C1CCN(C(=O)c2c(C(F)(F)F)nn(CC)c2C(F)F)CC1 ZINC000769155914 1080974190 /nfs/dbraw/zinc/97/41/90/1080974190.db2.gz PCMBGQSTXUCPSH-UHFFFAOYSA-N 0 0 406.355 2.461 20 30 HEEDRN CN(Cc1ccccc1)C(=O)[C@@H](C#N)C(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1 ZINC000787072676 1080979597 /nfs/dbraw/zinc/97/95/97/1080979597.db2.gz KIHUKRXGBJHZOG-KRWDZBQOSA-N 0 0 415.490 2.380 20 30 HEEDRN COc1ccc(CN2C[C@@H](C(=O)[C@@H](C#N)C(=O)N(C)Cc3ccccc3)CC2=O)cc1 ZINC000787073712 1080979654 /nfs/dbraw/zinc/97/96/54/1080979654.db2.gz WDSAKTGUAPQWEC-PZJWPPBQSA-N 0 0 419.481 2.411 20 30 HEEDRN CN(Cc1ccccc1)C(=O)[C@@H](C#N)C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000787074480 1080980245 /nfs/dbraw/zinc/98/02/45/1080980245.db2.gz VOWABCPZOZUIOD-UXHICEINSA-N 0 0 404.470 2.301 20 30 HEEDRN C[C@H](CC(=O)[C@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1)NC(=O)C1CCCCC1 ZINC000787055022 1080997868 /nfs/dbraw/zinc/99/78/68/1080997868.db2.gz ZCNLOROBMBARHE-KDOFPFPSSA-N 0 0 414.462 2.395 20 30 HEEDRN CC(=O)N[C@H](CC(=O)[C@@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000787058112 1081000383 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0 0 410.243 2.163 20 30 HEEDRN COc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)nc1 ZINC000770246239 1078810540 /nfs/dbraw/zinc/81/05/40/1078810540.db2.gz RJKQSDFECSCPOJ-PTGBLXJZSA-N 0 0 417.491 2.225 20 30 HEEDRN N#Cc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)c(F)c1 ZINC000746223258 1078825928 /nfs/dbraw/zinc/82/59/28/1078825928.db2.gz HEGJRYLNICFDAO-UHFFFAOYSA-N 0 0 418.381 2.123 20 30 HEEDRN Cc1cc(NC(=O)CCNC(=O)C2N=CC=CC2=O)ccc1N1CCSCC1 ZINC000746193409 1078821499 /nfs/dbraw/zinc/82/14/99/1078821499.db2.gz NJIHRINNGZYNIB-FMQUCBEESA-N 0 0 400.504 2.403 20 30 HEEDRN C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1 ZINC000770298429 1078821522 /nfs/dbraw/zinc/82/15/22/1078821522.db2.gz XCZBHFVUXPHUNC-VQIMIIECSA-N 0 0 412.490 2.286 20 30 HEEDRN CN(CCc1ccc(Br)cc1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000746228496 1078822283 /nfs/dbraw/zinc/82/22/83/1078822283.db2.gz ADPKKWDWYWWSMN-ISLYRVAYSA-N 0 0 406.280 2.367 20 30 HEEDRN CCCN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000746225384 1078826871 /nfs/dbraw/zinc/82/68/71/1078826871.db2.gz MUXHYUSMKNVCPF-AMGRQBIBSA-N 0 0 420.510 2.151 20 30 HEEDRN O=C(CCNC(=O)C1N=CC=CC1=O)NCCCc1cccc(Br)c1 ZINC000746239663 1078829809 /nfs/dbraw/zinc/82/98/09/1078829809.db2.gz OIPJVPIPSVQBRN-ZCXUNETKSA-N 0 0 406.280 2.414 20 30 HEEDRN O=C(NO)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 ZINC000746267967 1078838810 /nfs/dbraw/zinc/83/88/10/1078838810.db2.gz CCBSSJMYVKOWKI-UHFFFAOYSA-N 0 0 419.393 2.125 20 30 HEEDRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCc2ccc(C(=O)NO)cc2)CC1=O ZINC000746268496 1078839183 /nfs/dbraw/zinc/83/91/83/1078839183.db2.gz OZLKZTDTDSJWEQ-AWEZNQCLSA-N 0 0 417.849 2.137 20 30 HEEDRN COc1cc(CN(C)C(=O)CCNC(=O)C2N=CC=CC2=O)c(SC)cc1OC ZINC000746289386 1078837444 /nfs/dbraw/zinc/83/74/44/1078837444.db2.gz CNYYXERJSJAXMB-FMQUCBEESA-N 0 0 419.503 2.301 20 30 HEEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1 ZINC000746276255 1078842028 /nfs/dbraw/zinc/84/20/28/1078842028.db2.gz XUQRLKQZHBTWNP-HXUWFJFHSA-N 0 0 405.454 2.178 20 30 HEEDRN COC[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1cccc(C(F)(F)F)c1 ZINC000746280953 1078843187 /nfs/dbraw/zinc/84/31/87/1078843187.db2.gz HWCJOAKPIPZTKU-MGPWXQLLSA-N 0 0 411.380 2.426 20 30 HEEDRN COc1cc(NC(=O)CCCC(=O)Nc2ccccc2C#N)c(C(N)=O)cc1OC ZINC000770414194 1078844836 /nfs/dbraw/zinc/84/48/36/1078844836.db2.gz BECHNCGGFVNQAK-UHFFFAOYSA-N 0 0 410.430 2.422 20 30 HEEDRN N#Cc1ccc(N2CCC[C@H]2C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)cc1 ZINC000746311333 1078851421 /nfs/dbraw/zinc/85/14/21/1078851421.db2.gz NUPWEEUJQKYTAD-KRWDZBQOSA-N 0 0 408.424 2.444 20 30 HEEDRN C#CCN(CC#CC)C(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000746316639 1078856292 /nfs/dbraw/zinc/85/62/92/1078856292.db2.gz UKCKBWDKDFASSY-UHFFFAOYSA-N 0 0 420.326 2.191 20 30 HEEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1cccc(O)c1 ZINC000746339940 1078865491 /nfs/dbraw/zinc/86/54/91/1078865491.db2.gz RXIJFSGSGZRLQP-GOSISDBHSA-N 0 0 415.515 2.348 20 30 HEEDRN Cc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1N1CCOC1=O ZINC000746350695 1078870087 /nfs/dbraw/zinc/87/00/87/1078870087.db2.gz KNVVKKVSDBACES-UHFFFAOYSA-N 0 0 413.455 2.377 20 30 HEEDRN C=CCNC(=O)CN1CCN(CC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000053814903 1078879318 /nfs/dbraw/zinc/87/93/18/1078879318.db2.gz BMFZUFCQOAGFPO-UHFFFAOYSA-N 0 0 408.502 2.337 20 30 HEEDRN Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)n(CCC#N)n1 ZINC000746382227 1078887973 /nfs/dbraw/zinc/88/79/73/1078887973.db2.gz QNMJYMPQVAZHON-HNNXBMFYSA-N 0 0 408.462 2.048 20 30 HEEDRN COc1ccc2[nH]cc(C3CCN(C(=O)C(=O)Nc4cnn(CC#N)c4)CC3)c2c1 ZINC000746378282 1078884107 /nfs/dbraw/zinc/88/41/07/1078884107.db2.gz RTEUCCVVXDXVQR-UHFFFAOYSA-N 0 0 406.446 2.241 20 30 HEEDRN N#CCn1cc(NC(=O)C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cn1 ZINC000746390479 1078891907 /nfs/dbraw/zinc/89/19/07/1078891907.db2.gz FTELPODXFGGTKU-HNNXBMFYSA-N 0 0 408.245 2.252 20 30 HEEDRN Cc1oc(NC(=O)COC(=O)C(C)(C)N2C(=O)c3ccccc3C2=O)c(C#N)c1C ZINC000770638403 1078908044 /nfs/dbraw/zinc/90/80/44/1078908044.db2.gz ABWPMNDQQGZFQQ-UHFFFAOYSA-N 0 0 409.398 2.325 20 30 HEEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCN(c3cnn(C)c3)CC2)ccc1OC ZINC000746417192 1078908823 /nfs/dbraw/zinc/90/88/23/1078908823.db2.gz DKMCYAKXENBJIN-SFHVURJKSA-N 0 0 412.494 2.141 20 30 HEEDRN COC(=O)c1cccc(COC(=O)C(C)(C)N2C(=O)c3ccccc3C2=O)c1C#N ZINC000770640944 1078909323 /nfs/dbraw/zinc/90/93/23/1078909323.db2.gz QAYHJPGHUKASPE-UHFFFAOYSA-N 0 0 406.394 2.463 20 30 HEEDRN Cc1cc(NC(=O)C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)n(CCC#N)n1 ZINC000746419092 1078915369 /nfs/dbraw/zinc/91/53/69/1078915369.db2.gz CQOPMLBZSPJWEL-CYBMUJFWSA-N 0 0 410.261 2.200 20 30 HEEDRN CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC(S(=O)(=O)CC)CC2)ccc1OC ZINC000770609915 1078915538 /nfs/dbraw/zinc/91/55/38/1078915538.db2.gz CDHBODUQCBEEOT-MRXNPFEDSA-N 0 0 423.535 2.485 20 30 HEEDRN CCOc1c(Br)cc(C=NN2C(=O)CNC2=O)cc1Br ZINC000770619283 1078918437 /nfs/dbraw/zinc/91/84/37/1078918437.db2.gz YUAYOOJOSCHQSY-UHFFFAOYSA-N 0 0 405.046 2.496 20 30 HEEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1cc2ccccc2[nH]c1=O ZINC000766364304 1078919919 /nfs/dbraw/zinc/91/99/19/1078919919.db2.gz DPRMZGFOGGYVOS-CYBMUJFWSA-N 0 0 411.439 2.222 20 30 HEEDRN COc1cccc(CCCOC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000766380319 1078930682 /nfs/dbraw/zinc/93/06/82/1078930682.db2.gz VUCHPYPOTMEGTI-HNNXBMFYSA-N 0 0 402.472 2.410 20 30 HEEDRN CS(=O)(=O)c1cc(S(=O)(=O)N(CCC#N)Cc2ccccn2)c(Cl)s1 ZINC000770680820 1078931569 /nfs/dbraw/zinc/93/15/69/1078931569.db2.gz WVBXDBZQNLEBJM-UHFFFAOYSA-N 0 0 419.937 2.305 20 30 HEEDRN COc1cccc(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1F ZINC000770721059 1078948783 /nfs/dbraw/zinc/94/87/83/1078948783.db2.gz OYNITHURDAWTML-UHFFFAOYSA-N 0 0 410.449 2.379 20 30 HEEDRN Cn1ncc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1Cc1ccccc1 ZINC000770721370 1078948035 /nfs/dbraw/zinc/94/80/35/1078948035.db2.gz KZDJRYPTFWPYDZ-AEFFLSMTSA-N 0 0 409.490 2.500 20 30 HEEDRN CNC(=O)c1cccc(C(=O)OCCC#Cc2ccc(CN3CCOCC3)cc2)c1 ZINC000770730433 1078955649 /nfs/dbraw/zinc/95/56/49/1078955649.db2.gz NBBUUWKJGCENBU-UHFFFAOYSA-N 0 0 406.482 2.477 20 30 HEEDRN CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000770729836 1078956014 /nfs/dbraw/zinc/95/60/14/1078956014.db2.gz MVTHNROKGLPXAR-GFCCVEGCSA-N 0 0 416.381 2.457 20 30 HEEDRN Cc1cc(COC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n(C)n1 ZINC000766415181 1078971419 /nfs/dbraw/zinc/97/14/19/1078971419.db2.gz QJQFKUJPUYXRCA-UHFFFAOYSA-N 0 0 404.492 2.071 20 30 HEEDRN N#CCN1CCC(OC(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)CC1 ZINC000770771686 1078990211 /nfs/dbraw/zinc/99/02/11/1078990211.db2.gz SGAOPTKOQPQWKS-UHFFFAOYSA-N 0 0 404.426 2.236 20 30 HEEDRN Cc1ccc(CN=Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1Cl ZINC000766433027 1079002193 /nfs/dbraw/zinc/00/21/93/1079002193.db2.gz NKXIKRMXIHCKBL-UHFFFAOYSA-N 0 0 407.927 2.426 20 30 HEEDRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)OC3CCN(CC#N)CC3)c2)C1 ZINC000770786719 1079016341 /nfs/dbraw/zinc/01/63/41/1079016341.db2.gz FOTNLVYTEZPPRH-CALCHBBNSA-N 0 0 419.547 2.498 20 30 HEEDRN CCOC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000770792991 1079019274 /nfs/dbraw/zinc/01/92/74/1079019274.db2.gz LCNXYSRJOHJTHM-QGZVFWFLSA-N 0 0 411.483 2.433 20 30 HEEDRN COc1cc(C#N)ccc1S(=O)(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000766469170 1079019802 /nfs/dbraw/zinc/01/98/02/1079019802.db2.gz NXVXNEAAHDEBLO-UHFFFAOYSA-N 0 0 401.488 2.224 20 30 HEEDRN CCOC(=O)CON=C(C(=O)Nc1ccccc1OC(F)(F)F)c1cc[nH]n1 ZINC000770820539 1079031904 /nfs/dbraw/zinc/03/19/04/1079031904.db2.gz CAEQUHOJFINHQM-UHFFFAOYSA-N 0 0 400.313 2.231 20 30 HEEDRN COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000766479452 1079033331 /nfs/dbraw/zinc/03/33/31/1079033331.db2.gz VNXOSSVHYAKITI-OAHLLOKOSA-N 0 0 409.508 2.492 20 30 HEEDRN COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000766479451 1079033380 /nfs/dbraw/zinc/03/33/80/1079033380.db2.gz VNXOSSVHYAKITI-HNNXBMFYSA-N 0 0 409.508 2.492 20 30 HEEDRN COc1cc(C=Nn2c(=O)cn[nH]c2=S)ccc1OC(=O)c1ccccc1F ZINC000766485644 1079036216 /nfs/dbraw/zinc/03/62/16/1079036216.db2.gz XHHVGSQMWRIUHP-UHFFFAOYSA-N 0 0 400.391 2.176 20 30 HEEDRN COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NC2(C#N)CCCCC2)c1 ZINC000766497869 1079039568 /nfs/dbraw/zinc/03/95/68/1079039568.db2.gz NOFJBSIEKKQRHM-BQYQJAHWSA-N 0 0 408.476 2.395 20 30 HEEDRN O=C(OCCC#Cc1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000770857880 1079041973 /nfs/dbraw/zinc/04/19/73/1079041973.db2.gz DWKAWAQNBATPKK-UHFFFAOYSA-N 0 0 420.465 2.448 20 30 HEEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H](OC)c2ccc(F)cc2)c1 ZINC000770885079 1079060660 /nfs/dbraw/zinc/06/06/60/1079060660.db2.gz ZWXVNJNRKNIESE-KUHUBIRLSA-N 0 0 404.463 2.243 20 30 HEEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1cc(-c2ccccc2)n[nH]1 ZINC000770904739 1079072708 /nfs/dbraw/zinc/07/27/08/1079072708.db2.gz MKVCMUCLIRRSGH-CQSZACIVSA-N 0 0 410.455 2.359 20 30 HEEDRN C#Cc1cccc(NC(=O)NC(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)c1 ZINC001168924358 1079077158 /nfs/dbraw/zinc/07/71/58/1079077158.db2.gz CSVZOXFEUHKOIO-UHFFFAOYSA-N 0 0 420.469 2.372 20 30 HEEDRN COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000766540908 1079083667 /nfs/dbraw/zinc/08/36/67/1079083667.db2.gz ULLAGNMOHVNEDN-ZFWWWQNUSA-N 0 0 409.508 2.491 20 30 HEEDRN CC(C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)OC[C@@H](C)C#N ZINC000770933759 1079085216 /nfs/dbraw/zinc/08/52/16/1079085216.db2.gz SOHOCQJBVUNHQR-SMDDNHRTSA-N 0 0 403.298 2.455 20 30 HEEDRN CCOC(=O)[C@H](Nc1cc(C)c(C#N)c(C)n1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169041867 1079108388 /nfs/dbraw/zinc/10/83/88/1079108388.db2.gz XTWVMDRNFQQYIC-MOPGFXCFSA-N 0 0 417.487 2.051 20 30 HEEDRN O=C(Nc1c(F)c(F)c(F)c(F)c1F)C(=O)N1CCCN(CC(F)F)CC1 ZINC000766580361 1079120067 /nfs/dbraw/zinc/12/00/67/1079120067.db2.gz FHHPIEJMOMSOCR-UHFFFAOYSA-N 0 0 401.282 2.120 20 30 HEEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CO)Cc2ccc(F)cc2)cc1 ZINC001169104578 1079130529 /nfs/dbraw/zinc/13/05/29/1079130529.db2.gz 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CCN(C)c1ccccc1CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742643972 1076860869 /nfs/dbraw/zinc/86/08/69/1076860869.db2.gz AXSCBINXLVFUHT-HNNXBMFYSA-N 0 0 414.531 2.276 20 30 HEEDRN CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Oc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000742660468 1076861452 /nfs/dbraw/zinc/86/14/52/1076861452.db2.gz BOXMJFRMGULPRD-UHFFFAOYSA-N 0 0 416.820 2.291 20 30 HEEDRN C[C@H](CC(=O)NCCCSc1nccs1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742668875 1076862790 /nfs/dbraw/zinc/86/27/90/1076862790.db2.gz CTUNSLXZQCBQBM-GFCCVEGCSA-N 0 0 424.573 2.259 20 30 HEEDRN C=CCN(CC(=O)OCC)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000742654546 1076865239 /nfs/dbraw/zinc/86/52/39/1076865239.db2.gz IXAWMUGWQRONAX-UHFFFAOYSA-N 0 0 407.242 2.097 20 30 HEEDRN C[C@H](CC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742681743 1076866051 /nfs/dbraw/zinc/86/60/51/1076866051.db2.gz JNAIHKVTGLRYBE-AXAPSJFSSA-N 0 0 419.453 2.454 20 30 HEEDRN C[C@H](CC(=O)N1CCOc2cc(F)ccc21)/N=C1/NS(=O)(=O)c2ccccc21 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C[C@@H](Sc1nnc(-c2n[nH]c3c2CCC3)n1N)C(=O)N(CCC#N)c1ccccc1 ZINC000768429098 1080549867 /nfs/dbraw/zinc/54/98/67/1080549867.db2.gz YCPDZDADGJMXBM-CYBMUJFWSA-N 0 0 422.518 2.298 20 30 HEEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CN(C)C(=O)c3ccccc32)cc1OC ZINC000786314499 1080558493 /nfs/dbraw/zinc/55/84/93/1080558493.db2.gz YNCSRLLIOCESIW-IAGOWNOFSA-N 0 0 407.426 2.221 20 30 HEEDRN Cc1cc(-c2nnc(SCCC(=O)Nc3ccc(C#N)c(Cl)c3)n2N)n[nH]1 ZINC000768440227 1080560624 /nfs/dbraw/zinc/56/06/24/1080560624.db2.gz MMBABYAHQNTFIE-UHFFFAOYSA-N 0 0 402.871 2.336 20 30 HEEDRN C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](COC)Cc2ccccc2)ccc1F ZINC000746581106 1080563792 /nfs/dbraw/zinc/56/37/92/1080563792.db2.gz LVYDBQYHHJDDKW-QGZVFWFLSA-N 0 0 406.479 2.278 20 30 HEEDRN CCn1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1-c1cnccn1 ZINC000768414667 1080570264 /nfs/dbraw/zinc/57/02/64/1080570264.db2.gz UEKASZWWWNKIAL-UHFFFAOYSA-N 0 0 404.459 2.281 20 30 HEEDRN C[C@@H](NC(=O)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(C#N)c1 ZINC000786378596 1080578437 /nfs/dbraw/zinc/57/84/37/1080578437.db2.gz YESGXKCXQWGYOM-MRXNPFEDSA-N 0 0 404.470 2.288 20 30 HEEDRN CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000786380267 1080579489 /nfs/dbraw/zinc/57/94/89/1080579489.db2.gz YYPXKJGGKPBWSZ-UHFFFAOYSA-N 0 0 404.470 2.069 20 30 HEEDRN CC(C)(NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCOCC1 ZINC000786353666 1080586199 /nfs/dbraw/zinc/58/61/99/1080586199.db2.gz ZQLSHFCLYQYXET-UHFFFAOYSA-N 0 0 419.547 2.280 20 30 HEEDRN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(CC#N)c2ccccc2)C1=O ZINC000768473028 1080589861 /nfs/dbraw/zinc/58/98/61/1080589861.db2.gz IDKBCJHHCNBCIT-QFIPXVFZSA-N 0 0 406.442 2.327 20 30 HEEDRN COc1cc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)ccc1NC(=O)OC(C)(C)C ZINC000786442367 1080604945 /nfs/dbraw/zinc/60/49/45/1080604945.db2.gz RXNODOGYJWWYAU-LJQANCHMSA-N 0 0 406.414 2.445 20 30 HEEDRN Cc1cc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)cnn1 ZINC000786400570 1080611307 /nfs/dbraw/zinc/61/13/07/1080611307.db2.gz CJHUDVIOGVKEIA-INIZCTEOSA-N 0 0 423.473 2.312 20 30 HEEDRN CNC(=O)c1cncc(/C=C/C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000768526909 1080612226 /nfs/dbraw/zinc/61/22/26/1080612226.db2.gz KCQFVERBFPKDFN-KRXBUXKQSA-N 0 0 405.458 2.227 20 30 HEEDRN N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCOCC4)nc3)CC2)nc1 ZINC000768530718 1080613791 /nfs/dbraw/zinc/61/37/91/1080613791.db2.gz QLZIZKSIDOVUCT-UHFFFAOYSA-N 0 0 407.474 2.305 20 30 HEEDRN C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCCCCC(C)(C)C#N ZINC000768542426 1080619968 /nfs/dbraw/zinc/61/99/68/1080619968.db2.gz XYRAGPQTYUCELX-HNNXBMFYSA-N 0 0 423.535 2.318 20 30 HEEDRN CCOC(=O)CON=C(C(=O)NCc1csc(C(F)(F)F)c1)c1cc[nH]n1 ZINC001170058273 1080630726 /nfs/dbraw/zinc/63/07/26/1080630726.db2.gz FBKRGGBDSMYHPV-UHFFFAOYSA-N 0 0 404.370 2.090 20 30 HEEDRN Cn1c2cccc(Cl)c2nc1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000768575438 1080641819 /nfs/dbraw/zinc/64/18/19/1080641819.db2.gz HNGMABGVVWXLOH-UHFFFAOYSA-N 0 0 417.878 2.294 20 30 HEEDRN CC(C)(C)Oc1cccc(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 ZINC000768545645 1080647950 /nfs/dbraw/zinc/64/79/50/1080647950.db2.gz KEFHFYQPNILLOV-UHFFFAOYSA-N 0 0 403.460 2.041 20 30 HEEDRN C[C@H](CC(=O)Nc1nc2ccc(F)cc2n1C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000768547350 1080648824 /nfs/dbraw/zinc/64/88/24/1080648824.db2.gz JDINYKPNTMWOOR-LLVKDONJSA-N 0 0 415.450 2.168 20 30 HEEDRN N#C[C@@H](C(=O)NCc1cccc(Cl)c1)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000786530828 1080649199 /nfs/dbraw/zinc/64/91/99/1080649199.db2.gz KPBOTDDBIYFWQM-DGCLKSJQSA-N 0 0 401.772 2.076 20 30 HEEDRN N#C[C@H](C(=O)NCc1cccc(Cl)c1)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000786530827 1080649409 /nfs/dbraw/zinc/64/94/09/1080649409.db2.gz KPBOTDDBIYFWQM-AAEUAGOBSA-N 0 0 401.772 2.076 20 30 HEEDRN N#C[C@@H](C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)NCc1cccc(Cl)c1 ZINC000786537089 1080651300 /nfs/dbraw/zinc/65/13/00/1080651300.db2.gz HPWFGGXRGMXIBP-BBWFWOEESA-N 0 0 415.877 2.230 20 30 HEEDRN N#C[C@H](C(=O)Cn1cc(C(N)=O)c2ccccc21)C(=O)NCc1cccc(Cl)c1 ZINC000786537260 1080651331 /nfs/dbraw/zinc/65/13/31/1080651331.db2.gz HXJSMMUVVAAJFV-MRXNPFEDSA-N 0 0 408.845 2.419 20 30 HEEDRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000786535797 1080651357 /nfs/dbraw/zinc/65/13/57/1080651357.db2.gz SRVKQTBOMKAAIN-NXVVXOECSA-N 0 0 420.882 2.450 20 30 HEEDRN N#C[C@H](C(=O)Cn1cc(Br)ccc1=O)C(=O)NCc1cccc(Cl)c1 ZINC000786537061 1080651379 /nfs/dbraw/zinc/65/13/79/1080651379.db2.gz HEPZIBXVHXGDCD-CQSZACIVSA-N 0 0 422.666 2.289 20 30 HEEDRN C#CCCN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000768615607 1080653029 /nfs/dbraw/zinc/65/30/29/1080653029.db2.gz SLDVPLDYPSVFNJ-OAHLLOKOSA-N 0 0 418.437 2.172 20 30 HEEDRN C#CCCN(CC(F)(F)F)C(=O)CCNS(=O)(=O)c1ccc(OCC)cc1 ZINC000768618764 1080655062 /nfs/dbraw/zinc/65/50/62/1080655062.db2.gz WFDOWJRIMPYANN-UHFFFAOYSA-N 0 0 406.426 2.168 20 30 HEEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(c3ccccc3)CC2)cc1 ZINC000768586558 1080668730 /nfs/dbraw/zinc/66/87/30/1080668730.db2.gz FQXHVLDDGWUQRZ-UHFFFAOYSA-N 0 0 400.500 2.275 20 30 HEEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4c(c3)CCC=C4)CC2)o1 ZINC000786544264 1080676294 /nfs/dbraw/zinc/67/62/94/1080676294.db2.gz ZYARSYOBKISEBR-UHFFFAOYSA-N 0 0 406.442 2.320 20 30 HEEDRN Cc1csc2ncc(C(=O)[C@@H](C#N)C(=O)NCc3cccc(Cl)c3)c(=O)n12 ZINC000786545561 1080678596 /nfs/dbraw/zinc/67/85/96/1080678596.db2.gz DBKMGHXITHRXAM-CYBMUJFWSA-N 0 0 400.847 2.357 20 30 HEEDRN N#C[C@@H](C(=O)NCc1ccc(F)cc1F)C(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000786554293 1080682745 /nfs/dbraw/zinc/68/27/45/1080682745.db2.gz MDXBNOUIPDPBIV-QGZVFWFLSA-N 0 0 418.444 2.218 20 30 HEEDRN Cc1ccccc1[C@H](CC(=O)[C@@H](C#N)C(=O)NCc1ccc(F)cc1F)NC(N)=O ZINC000786553994 1080683405 /nfs/dbraw/zinc/68/34/05/1080683405.db2.gz AFLBAKTZPCDNIL-AEFFLSMTSA-N 0 0 414.412 2.398 20 30 HEEDRN N#C[C@@H](C(=O)CCn1cnc2ccccc2c1=O)C(=O)NCc1ccc(F)cc1F ZINC000786557880 1080685841 /nfs/dbraw/zinc/68/58/41/1080685841.db2.gz ALYZGNGGAGFKNH-INIZCTEOSA-N 0 0 410.380 2.090 20 30 HEEDRN N#C[C@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000786563391 1080690545 /nfs/dbraw/zinc/69/05/45/1080690545.db2.gz HSOUJMUWGJTMER-INIZCTEOSA-N 0 0 418.444 2.218 20 30 HEEDRN N#C[C@H](C(=O)CCN1C(=O)COc2ccccc21)C(=O)NCc1ccc(F)c(F)c1 ZINC000786563620 1080690687 /nfs/dbraw/zinc/69/06/87/1080690687.db2.gz IVEHQRGNSIGHEF-CQSZACIVSA-N 0 0 413.380 2.106 20 30 HEEDRN N#C[C@@H](C(=O)CCn1cnc2sccc2c1=O)C(=O)NCc1ccc(F)c(F)c1 ZINC000786568916 1080694904 /nfs/dbraw/zinc/69/49/04/1080694904.db2.gz BUPBZBWICILAPO-ZDUSSCGKSA-N 0 0 416.409 2.152 20 30 HEEDRN N#C[C@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000786572810 1080698255 /nfs/dbraw/zinc/69/82/55/1080698255.db2.gz SPANNXVQVHTGGT-IRXDYDNUSA-N 0 0 411.408 2.339 20 30 HEEDRN CN1C(=O)C[C@H](NC(=O)NCCNc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000768696748 1080713681 /nfs/dbraw/zinc/71/36/81/1080713681.db2.gz YDSXSEBGMBQQCY-LPHOPBHVSA-N 0 0 412.881 2.290 20 30 HEEDRN COc1ccc(CNC(=O)C(=O)NCc2ccc(Br)cc2)cc1C#N ZINC000786622634 1080716873 /nfs/dbraw/zinc/71/68/73/1080716873.db2.gz BYFXYQYUICXYPU-UHFFFAOYSA-N 0 0 402.248 2.262 20 30 HEEDRN C[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000746595511 1080737123 /nfs/dbraw/zinc/73/71/23/1080737123.db2.gz ZZUMYZUBOAEXBD-JTQLQIEISA-N 0 0 403.420 2.174 20 30 HEEDRN CC(C)(C)OC(=O)NCCNC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000786708381 1080764520 /nfs/dbraw/zinc/76/45/20/1080764520.db2.gz RZCHIXGNCYCHOC-UHFFFAOYSA-N 0 0 422.485 2.482 20 30 HEEDRN C[C@H](Sc1nnc(-c2ccccc2Br)n1N)C(=O)NC1(C#N)CCC1 ZINC000786708668 1080765078 /nfs/dbraw/zinc/76/50/78/1080765078.db2.gz ODRIRWXCJCVKHS-JTQLQIEISA-N 0 0 421.324 2.464 20 30 HEEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCNC(=O)OC(C)(C)C ZINC000786736340 1080784533 /nfs/dbraw/zinc/78/45/33/1080784533.db2.gz FEOIHQUGYXZICL-UHFFFAOYSA-N 0 0 402.495 2.326 20 30 HEEDRN COc1sc(C=c2sc(=C(C#N)C#N)n(C3CC3)c2=O)cc1Br ZINC000746599815 1080787426 /nfs/dbraw/zinc/78/74/26/1080787426.db2.gz CCECIGVEXNSIPQ-UHFFFAOYSA-N 0 0 408.302 2.104 20 30 HEEDRN C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3cc(O)ccc3C2)ccc1F ZINC000768788362 1080798559 /nfs/dbraw/zinc/79/85/59/1080798559.db2.gz AVKXCMDJRKNSLA-MRXNPFEDSA-N 0 0 404.463 2.283 20 30 HEEDRN CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCC2(C)OCCO2)cc1 ZINC000768876641 1080827421 /nfs/dbraw/zinc/82/74/21/1080827421.db2.gz FRHRCDGTFKYEKZ-OQKWZONESA-N 0 0 424.523 2.164 20 30 HEEDRN C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C[C@@H]1O ZINC000768878865 1080829504 /nfs/dbraw/zinc/82/95/04/1080829504.db2.gz TWRLXFMMPQEYFH-UQUGTXIYSA-N 0 0 408.524 2.124 20 30 HEEDRN C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C[C@H]1O ZINC000768882666 1080830101 /nfs/dbraw/zinc/83/01/01/1080830101.db2.gz UYPLGZZDHHXWHM-JWXGAITFSA-N 0 0 408.524 2.124 20 30 HEEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000786797217 1080831444 /nfs/dbraw/zinc/83/14/44/1080831444.db2.gz NCBNWFUKIKZCHF-RISCZKNCSA-N 0 0 410.452 2.169 20 30 HEEDRN COc1cc2c(cc1OC)CN(CC(=O)OCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000786812325 1080838986 /nfs/dbraw/zinc/83/89/86/1080838986.db2.gz UKGBSJJFGSBKLQ-UHFFFAOYSA-N 0 0 409.442 2.115 20 30 HEEDRN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000786815488 1080840521 /nfs/dbraw/zinc/84/05/21/1080840521.db2.gz RUQFCQYMGGMFNK-QYWGDWMGSA-N 0 0 406.527 2.337 20 30 HEEDRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000768922394 1080859767 /nfs/dbraw/zinc/85/97/67/1080859767.db2.gz PQLBNRZPZKCXHW-WBVHZDCISA-N 0 0 406.458 2.172 20 30 HEEDRN Cc1c(Br)cc(C(=O)OCC(=O)Nc2ccc(C#N)cc2)c(=O)n1C ZINC000768936601 1080865315 /nfs/dbraw/zinc/86/53/15/1080865315.db2.gz VKYPHYUSTZUAAM-UHFFFAOYSA-N 0 0 404.220 2.123 20 30 HEEDRN CCN(CCC#N)C(=O)COC(=O)c1ccnc(Cl)c1I ZINC000786890847 1080871598 /nfs/dbraw/zinc/87/15/98/1080871598.db2.gz AQAHTWYFFNTKPN-UHFFFAOYSA-N 0 0 421.622 2.259 20 30 HEEDRN 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20 30 HEEDRN C#CCOc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000741643007 1076568041 /nfs/dbraw/zinc/56/80/41/1076568041.db2.gz IZOYFNXWRBPIDS-UHFFFAOYSA-N 0 0 401.419 2.282 20 30 HEEDRN C#CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000741670422 1076575524 /nfs/dbraw/zinc/57/55/24/1076575524.db2.gz NQSXXOFVYNKFLT-UHFFFAOYSA-N 0 0 405.454 2.288 20 30 HEEDRN CC[C@](C)(NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1nc(C)cs1 ZINC000741712736 1076589569 /nfs/dbraw/zinc/58/95/69/1076589569.db2.gz AXEQJEQNZFFPJR-SFHVURJKSA-N 0 0 406.533 2.322 20 30 HEEDRN COc1ccc([C@H](C)CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000741717496 1076591466 /nfs/dbraw/zinc/59/14/66/1076591466.db2.gz SYLOAKVFRHWRLZ-OAHLLOKOSA-N 0 0 415.515 2.434 20 30 HEEDRN C=CCn1c(C)nnc1SCC(=O)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 ZINC000741736522 1076614710 /nfs/dbraw/zinc/61/47/10/1076614710.db2.gz JNJBPOYGVWCVSC-INIZCTEOSA-N 0 0 422.507 2.348 20 30 HEEDRN CC(=NNc1ccc(S(N)(=O)=O)cc1)c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000741760238 1076617620 /nfs/dbraw/zinc/61/76/20/1076617620.db2.gz UVWWLQWGDBFRKY-UHFFFAOYSA-N 0 0 417.459 2.209 20 30 HEEDRN Cn1c([N-][NH+]=Cc2c(N3CCOCC3)nc3ccccn32)nnc1-c1ccccc1 ZINC000741806764 1076644384 /nfs/dbraw/zinc/64/43/84/1076644384.db2.gz OJNPHDFZAZEZHF-UHFFFAOYSA-N 0 0 402.462 2.412 20 30 HEEDRN Cc1cc(C(=O)NCC(=O)OCc2nnc(-c3cccc(C#N)c3)o2)ccc1[N+](=O)[O-] ZINC000741825937 1076647082 /nfs/dbraw/zinc/64/70/82/1076647082.db2.gz XTZRZWPJNJZQSQ-UHFFFAOYSA-N 0 0 421.369 2.298 20 30 HEEDRN CCCOC(=O)[C@H](C)OC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000741827499 1076647684 /nfs/dbraw/zinc/64/76/84/1076647684.db2.gz AHPXZYSNPWNYSD-ZFWWWQNUSA-N 0 0 410.492 2.025 20 30 HEEDRN N#C[C@@H](C(=O)CCC(=O)N1CCN(c2ccccc2)CC1)c1nnc2n1CCCCC2 ZINC000766277830 1076650450 /nfs/dbraw/zinc/65/04/50/1076650450.db2.gz PMBRUAXIBONIAW-IBGZPJMESA-N 0 0 420.517 2.310 20 30 HEEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)c1 ZINC000741908939 1076668035 /nfs/dbraw/zinc/66/80/35/1076668035.db2.gz INOCLWFBMVXSHV-IBGZPJMESA-N 0 0 404.470 2.012 20 30 HEEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)c1 ZINC000741908941 1076668234 /nfs/dbraw/zinc/66/82/34/1076668234.db2.gz INOCLWFBMVXSHV-LJQANCHMSA-N 0 0 404.470 2.012 20 30 HEEDRN Cc1nc(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)n(-c2ccc(C#N)cc2)n1 ZINC000741945582 1076689137 /nfs/dbraw/zinc/68/91/37/1076689137.db2.gz FYMJSLXIQBPNNQ-SFHVURJKSA-N 0 0 408.368 2.279 20 30 HEEDRN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000741970928 1076700459 /nfs/dbraw/zinc/70/04/59/1076700459.db2.gz AQKGAKKTFQRXRJ-UHFFFAOYSA-N 0 0 405.451 2.193 20 30 HEEDRN CC(C)(C)OC(=O)N(CC(=O)NCCOc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000741972345 1076701060 /nfs/dbraw/zinc/70/10/60/1076701060.db2.gz UPTSZNAQRXNODB-SFHVURJKSA-N 0 0 403.479 2.469 20 30 HEEDRN COC(C)(C)C[C@H](C)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742099563 1076741903 /nfs/dbraw/zinc/74/19/03/1076741903.db2.gz PMVRBGFOCQORLP-GOEBONIOSA-N 0 0 409.552 2.460 20 30 HEEDRN COC(C)(C)C[C@H](C)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742099569 1076741914 /nfs/dbraw/zinc/74/19/14/1076741914.db2.gz PMVRBGFOCQORLP-HOCLYGCPSA-N 0 0 409.552 2.460 20 30 HEEDRN Cc1ccccc1O[C@H](C)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742142401 1076755293 /nfs/dbraw/zinc/75/52/93/1076755293.db2.gz KEAPXBIMZODGKN-OAHLLOKOSA-N 0 0 401.488 2.007 20 30 HEEDRN COc1ccc(C=c2sc(=C(C#N)C#N)n([C@@H](C)c3cccs3)c2=O)cc1C#N ZINC000742143185 1076756177 /nfs/dbraw/zinc/75/61/77/1076756177.db2.gz FOGPZENUDMLGDT-ZDUSSCGKSA-N 0 0 418.503 2.488 20 30 HEEDRN CC1CCN(c2nn(CN3CCOC[C@H]3C#N)c(=S)n2C[C@@H]2CCCO2)CC1 ZINC000742164648 1076761119 /nfs/dbraw/zinc/76/11/19/1076761119.db2.gz NREJACBTKBPVNV-SJORKVTESA-N 0 0 406.556 2.011 20 30 HEEDRN C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc(=O)[nH]c3ccccc23)ccc1F ZINC000742185878 1076775589 /nfs/dbraw/zinc/77/55/89/1076775589.db2.gz XODACRGEQKOKCK-UHFFFAOYSA-N 0 0 415.446 2.474 20 30 HEEDRN CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)c1 ZINC000742194497 1076783368 /nfs/dbraw/zinc/78/33/68/1076783368.db2.gz YQFAKUWKZNKVBL-UHFFFAOYSA-N 0 0 412.515 2.255 20 30 HEEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(NC=O)cc2)cc1 ZINC000742244892 1076804838 /nfs/dbraw/zinc/80/48/38/1076804838.db2.gz AZVFJMIIGPLMAN-PYCFMQQDSA-N 0 0 400.460 2.320 20 30 HEEDRN CN(C)C(=O)CCCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC000742245693 1076805265 /nfs/dbraw/zinc/80/52/65/1076805265.db2.gz NXFARYIAIJDOKC-PYCFMQQDSA-N 0 0 422.551 2.477 20 30 HEEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@](C)(O)Cc2ccccc2)c1 ZINC000742245378 1076805273 /nfs/dbraw/zinc/80/52/73/1076805273.db2.gz ILXJCTGKHUSRJG-YVNGDZKUSA-N 0 0 415.515 2.432 20 30 HEEDRN C[C@@H]1CN(Cc2ccccc2NC(=O)CCNC(=O)C2N=CC=CC2=O)C[C@@H](C)O1 ZINC000742245238 1076805372 /nfs/dbraw/zinc/80/53/72/1076805372.db2.gz FYUBFJWIMBDQPC-RRLOWTIWSA-N 0 0 412.490 2.151 20 30 HEEDRN CN1CCCCCC1=NS(=O)(=O)c1cccc(NC(=O)[C@H]2CSC(=O)N2)c1 ZINC000742246549 1076805580 /nfs/dbraw/zinc/80/55/80/1076805580.db2.gz YUZDHMIXNZTMOY-DUHXBFFASA-N 0 0 410.521 2.043 20 30 HEEDRN CN(Cc1cc(Br)ccc1F)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000742249325 1076806300 /nfs/dbraw/zinc/80/63/00/1076806300.db2.gz OWHOMZJPMYSLQF-MSUUIHNZSA-N 0 0 410.243 2.463 20 30 HEEDRN CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000742252722 1076809864 /nfs/dbraw/zinc/80/98/64/1076809864.db2.gz MMICUQGAIIKGOB-AMGRQBIBSA-N 0 0 420.510 2.056 20 30 HEEDRN C=CCN(CC(=O)OCC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742283661 1076815616 /nfs/dbraw/zinc/81/56/16/1076815616.db2.gz LAPUSXZSPMOFCU-UHFFFAOYSA-N 0 0 407.242 2.097 20 30 HEEDRN N#Cc1c(F)cccc1S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000742301107 1076822481 /nfs/dbraw/zinc/82/24/81/1076822481.db2.gz JQMFIJIJNKJFPV-UHFFFAOYSA-N 0 0 407.854 2.384 20 30 HEEDRN O=C(CON=C1C(=O)Nc2cc3c(cc21)OCCO3)NC1(c2ccccc2)CCC1 ZINC000742353573 1076829373 /nfs/dbraw/zinc/82/93/73/1076829373.db2.gz NEYLFTUHXLXFNA-UHFFFAOYSA-N 0 0 407.426 2.326 20 30 HEEDRN Cn1cc(N2CCC[C@H](ON=C(N)c3cccnc3Oc3ccccc3)C2=O)cn1 ZINC000742357277 1076830319 /nfs/dbraw/zinc/83/03/19/1076830319.db2.gz RSLLLJHEOMULJQ-SFHVURJKSA-N 0 0 406.446 2.440 20 30 HEEDRN COc1ccc(CCNC(=O)CON=Cc2c(C)nc3sccn23)cc1OC ZINC000742358277 1076830424 /nfs/dbraw/zinc/83/04/24/1076830424.db2.gz FQEDTJGSAKCPBH-UHFFFAOYSA-N 0 0 402.476 2.431 20 30 HEEDRN COc1cc(CNCc2cc(C#N)ccc2F)ccc1OCC(=O)N1CCOCC1 ZINC000742381969 1076832988 /nfs/dbraw/zinc/83/29/88/1076832988.db2.gz VEFGUEBSLHQOFK-UHFFFAOYSA-N 0 0 413.449 2.233 20 30 HEEDRN CN(C(=O)c1ccncc1)c1ccc(CNc2ccc(S(N)(=O)=O)cc2C#N)cc1 ZINC000742408655 1076835403 /nfs/dbraw/zinc/83/54/03/1076835403.db2.gz OTMVETHUMQGHAL-UHFFFAOYSA-N 0 0 421.482 2.489 20 30 HEEDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742464666 1076841984 /nfs/dbraw/zinc/84/19/84/1076841984.db2.gz MJDLHFRLQBEMPR-LBPRGKRZSA-N 0 0 402.432 2.359 20 30 HEEDRN C[C@@H](CC(=O)Nc1ccc2c(c1)OCCCO2)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742481876 1076843016 /nfs/dbraw/zinc/84/30/16/1076843016.db2.gz CICPLUAKWNBAEF-ZDUSSCGKSA-N 0 0 415.471 2.304 20 30 HEEDRN C[C@@H](CC(=O)Nc1ccc(N2CCCC2)nc1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742505080 1076846018 /nfs/dbraw/zinc/84/60/18/1076846018.db2.gz ONFMSZNMLPHTNN-AWEZNQCLSA-N 0 0 413.503 2.138 20 30 HEEDRN COc1ccc(CN(C)C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1F ZINC000742486123 1076846767 /nfs/dbraw/zinc/84/67/67/1076846767.db2.gz QCMWKJRBIICXQQ-ZDUSSCGKSA-N 0 0 419.478 2.310 20 30 HEEDRN Cc1cccc(OCCNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000742486324 1076846781 /nfs/dbraw/zinc/84/67/81/1076846781.db2.gz UXJIXUKKIFFGCI-HNNXBMFYSA-N 0 0 401.488 2.007 20 30 HEEDRN C[C@H](CC(=O)N(C)Cc1ccc(Cl)nc1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742519004 1076847126 /nfs/dbraw/zinc/84/71/26/1076847126.db2.gz QCZBKCAQJFMQOC-GFCCVEGCSA-N 0 0 406.895 2.211 20 30 HEEDRN CCOCc1ccccc1CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742527139 1076847851 /nfs/dbraw/zinc/84/78/51/1076847851.db2.gz IFTOBHMKSHHUMY-HNNXBMFYSA-N 0 0 415.515 2.357 20 30 HEEDRN C[C@H](CC(=O)NCc1ncc(-c2ccccc2)o1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742537553 1076848722 /nfs/dbraw/zinc/84/87/22/1076848722.db2.gz XSLJVUPWYIIACZ-CQSZACIVSA-N 0 0 424.482 2.475 20 30 HEEDRN C[C@H](CC(=O)N1CCO[C@H](c2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742513421 1076849106 /nfs/dbraw/zinc/84/91/06/1076849106.db2.gz BBERPVVQKNSPOM-QAPCUYQASA-N 0 0 413.499 2.104 20 30 HEEDRN C[C@@H](CC(=O)NCc1ccn(-c2ccccc2)n1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742563889 1076849508 /nfs/dbraw/zinc/84/95/08/1076849508.db2.gz TYKCJLVNKRBWLU-HNNXBMFYSA-N 0 0 423.498 2.006 20 30 HEEDRN C[C@@H](CC(=O)NCCOc1cccc(Cl)c1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742543037 1076850267 /nfs/dbraw/zinc/85/02/67/1076850267.db2.gz ABVQVXHGUSRENU-ZDUSSCGKSA-N 0 0 421.906 2.352 20 30 HEEDRN Cc1nccn1-c1ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 ZINC000742545881 1076850672 /nfs/dbraw/zinc/85/06/72/1076850672.db2.gz VTARURNXNFKZGP-ZDUSSCGKSA-N 0 0 424.486 2.032 20 30 HEEDRN Cc1nccn1-c1ccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 ZINC000742545880 1076850721 /nfs/dbraw/zinc/85/07/21/1076850721.db2.gz VTARURNXNFKZGP-CYBMUJFWSA-N 0 0 424.486 2.032 20 30 HEEDRN C#Cc1cccc(NC(=O)CNC(=O)COc2ccc(C=O)cc2Br)c1 ZINC000742558340 1076851613 /nfs/dbraw/zinc/85/16/13/1076851613.db2.gz AOLMTCVLLSEAJV-UHFFFAOYSA-N 0 0 415.243 2.377 20 30 HEEDRN COc1ccc(CCCNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000742568588 1076852184 /nfs/dbraw/zinc/85/21/84/1076852184.db2.gz ACUHBRJPYBONTR-HNNXBMFYSA-N 0 0 415.515 2.261 20 30 HEEDRN Cc1cccc(OC[C@H](C)NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000742575089 1076852832 /nfs/dbraw/zinc/85/28/32/1076852832.db2.gz XEESTSLGAHDMHL-CVEARBPZSA-N 0 0 415.515 2.396 20 30 HEEDRN CC(=O)N(C)c1ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000742591338 1076853886 /nfs/dbraw/zinc/85/38/86/1076853886.db2.gz DBRVKXPRJDINRT-ZDUSSCGKSA-N 0 0 414.487 2.125 20 30 HEEDRN C#CCNC(=O)C1CCN(C(=O)Cn2c3ccccc3nc2-c2scnc2C)CC1 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SETYKPFQBPEPFX-FQEVSTJZSA-N 0 0 418.457 2.268 20 30 HEEDRN C=C[C@](C)(CC)COC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000786521503 1080646864 /nfs/dbraw/zinc/64/68/64/1080646864.db2.gz SKMQOQMYJDLODO-HXUWFJFHSA-N 0 0 411.520 2.404 20 30 HEEDRN N#C[C@H](C(=O)NCc1cccc(Cl)c1)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000786530905 1080649357 /nfs/dbraw/zinc/64/93/57/1080649357.db2.gz KPBOTDDBIYFWQM-YPMHNXCESA-N 0 0 401.772 2.076 20 30 HEEDRN N#C[C@H](C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)NCc1cccc(Cl)c1 ZINC000786537096 1080651384 /nfs/dbraw/zinc/65/13/84/1080651384.db2.gz HPWFGGXRGMXIBP-IXDOHACOSA-N 0 0 415.877 2.230 20 30 HEEDRN COC(=O)C[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)c1ccc(OC)cc1OC ZINC000768549906 1080652467 /nfs/dbraw/zinc/65/24/67/1080652467.db2.gz FQCUKGIGUBZIBX-MRXNPFEDSA-N 0 0 422.434 2.297 20 30 HEEDRN N#Cc1ccc(OCCCOC(=O)c2nccc3c2cccc3S(N)(=O)=O)cc1 ZINC000768626370 1080662218 /nfs/dbraw/zinc/66/22/18/1080662218.db2.gz XUXNWHNAQIHHFJ-UHFFFAOYSA-N 0 0 411.439 2.380 20 30 HEEDRN COCCN1C(=O)c2ccc(C(=O)OCCCCC(C)(C)C#N)cc2S1(=O)=O ZINC000768626802 1080663546 /nfs/dbraw/zinc/66/35/46/1080663546.db2.gz IWHWXMQARUFYDC-UHFFFAOYSA-N 0 0 408.476 2.354 20 30 HEEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1 ZINC000768589869 1080670253 /nfs/dbraw/zinc/67/02/53/1080670253.db2.gz GYIPHLALPGEKMP-UHFFFAOYSA-N 0 0 400.500 2.275 20 30 HEEDRN Cc1ccc2c(c1)C(=O)N(CC(=O)[C@@H](C#N)C(=O)NCc1cccc(Cl)c1)C2=O ZINC000786547331 1080678540 /nfs/dbraw/zinc/67/85/40/1080678540.db2.gz QPMCRYTZORHWSW-QGZVFWFLSA-N 0 0 409.829 2.270 20 30 HEEDRN COc1ccccc1N1C[C@H](C(=O)[C@@H](C#N)C(=O)NCc2cccc(C)c2)CC1=O ZINC000786548983 1080679289 /nfs/dbraw/zinc/67/92/89/1080679289.db2.gz DRLLRDIVQMVUNJ-QZTJIDSGSA-N 0 0 405.454 2.382 20 30 HEEDRN COc1ccc(CC(=O)[C@@H](C#N)C(=O)NCc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000786552866 1080681827 /nfs/dbraw/zinc/68/18/27/1080681827.db2.gz CAGJLZOIIFSGNM-CQSZACIVSA-N 0 0 403.341 2.449 20 30 HEEDRN Cc1c(CC(=O)[C@H](C#N)C(=O)NCc2ccc(F)cc2F)nnn1-c1ccccc1 ZINC000786554280 1080682708 /nfs/dbraw/zinc/68/27/08/1080682708.db2.gz MBJUTSIIGAGCLA-KRWDZBQOSA-N 0 0 409.396 2.422 20 30 HEEDRN CCC1CCC2(CC1)NC(=O)N(CC(=O)[C@H](C#N)C(=O)NCc1cccc(C)c1)C2=O ZINC000786553412 1080682822 /nfs/dbraw/zinc/68/28/22/1080682822.db2.gz UOEUFTQBVMCVAS-HRZDDSQGSA-N 0 0 424.501 2.211 20 30 HEEDRN N#C[C@H](C(=O)NCc1ccc(F)cc1F)C(=O)C1CCN(C(=O)c2ccoc2)CC1 ZINC000786560390 1080687768 /nfs/dbraw/zinc/68/77/68/1080687768.db2.gz RQHGORAAPZSDIG-KRWDZBQOSA-N 0 0 415.396 2.435 20 30 HEEDRN N#Cc1ccc(CNC(=O)COC(=O)c2n[nH]c(C3CC3)c2Br)cc1 ZINC000768631504 1080689418 /nfs/dbraw/zinc/68/94/18/1080689418.db2.gz WHQPTFXGINRFOY-UHFFFAOYSA-N 0 0 403.236 2.394 20 30 HEEDRN Cc1cccc2c1ncn(CCC(=O)[C@H](C#N)C(=O)NCc1ccc(F)cc1F)c2=O ZINC000786562671 1080690060 /nfs/dbraw/zinc/69/00/60/1080690060.db2.gz YXCBVGHFYAJWMK-KRWDZBQOSA-N 0 0 424.407 2.399 20 30 HEEDRN N#C[C@H](C(=O)COc1ccc2c(c1)CCC(=O)N2)C(=O)NCc1ccc(F)cc1F ZINC000786563368 1080690153 /nfs/dbraw/zinc/69/01/53/1080690153.db2.gz 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C#Cc1cccc(NC(=O)CN(C)Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)c1 ZINC000768915374 1080854834 /nfs/dbraw/zinc/85/48/34/1080854834.db2.gz GYNRRRAVSKFJCE-UHFFFAOYSA-N 0 0 415.877 2.265 20 30 HEEDRN CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NC(=O)c3cccc(CC#N)c3)n2)CC1 ZINC000746612131 1080857587 /nfs/dbraw/zinc/85/75/87/1080857587.db2.gz AJKBWZBYQHCGRG-UHFFFAOYSA-N 0 0 411.466 2.180 20 30 HEEDRN C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000786864011 1080859525 /nfs/dbraw/zinc/85/95/25/1080859525.db2.gz AYVJZCLPKIYWEA-UHFFFAOYSA-N 0 0 407.941 2.398 20 30 HEEDRN C#CCN(Cc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000768931465 1080863308 /nfs/dbraw/zinc/86/33/08/1080863308.db2.gz FHDVFIRJJSPRMQ-QGZVFWFLSA-N 0 0 408.321 2.257 20 30 HEEDRN O=C(NCCNC(=O)N1CCC(OCc2ccc(F)cc2)CC1)C1N=CC=CC1=O ZINC000768941314 1080867951 /nfs/dbraw/zinc/86/79/51/1080867951.db2.gz FWQMLGDJDXFVCY-FMQUCBEESA-N 0 0 416.453 2.043 20 30 HEEDRN C[C@H](OC(=O)c1ccnc(Cl)c1I)C(=O)N(C)CCC#N ZINC000786891450 1080871156 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422.489 2.168 20 30 HEEDRN N#Cc1ccc(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)nc1 ZINC000746627309 1080950595 /nfs/dbraw/zinc/95/05/95/1080950595.db2.gz XXILDFJMZNXNFH-UHFFFAOYSA-N 0 0 415.353 2.271 20 30 HEEDRN CC[C@@H](NC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccccc1 ZINC000787033379 1080957908 /nfs/dbraw/zinc/95/79/08/1080957908.db2.gz UYHXQQWTHYTGSE-QZTJIDSGSA-N 0 0 405.520 2.024 20 30 HEEDRN CC[C@H](NC(=O)[C@@H](C#N)C(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 ZINC000787037947 1080962103 /nfs/dbraw/zinc/96/21/03/1080962103.db2.gz MXHGKXRPLAOTKS-IRXDYDNUSA-N 0 0 410.474 2.217 20 30 HEEDRN CC[C@@H](NC(=O)[C@@H](C#N)C(=O)CCn1c2ccccc2c(=O)[nH]c1=O)c1ccccc1 ZINC000787040279 1080963370 /nfs/dbraw/zinc/96/33/70/1080963370.db2.gz VHKWXJFSCIEHAT-ZWKOTPCHSA-N 0 0 418.453 2.469 20 30 HEEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)CCc2ccc(=O)[nH]c2)cc1 ZINC000787040143 1080964348 /nfs/dbraw/zinc/96/43/48/1080964348.db2.gz ZFECRAXFBAWMDJ-XLNRJJMWSA-N 0 0 402.476 2.171 20 30 HEEDRN 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C#C[C@H](NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCCO1 ZINC000772411491 1079841038 /nfs/dbraw/zinc/84/10/38/1079841038.db2.gz WVWCMQVUQDLKMA-HRCADAONSA-N 0 0 406.280 2.034 20 30 HEEDRN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000767388751 1079841482 /nfs/dbraw/zinc/84/14/82/1079841482.db2.gz WQEFUVSXVQJPDL-CHWSQXEVSA-N 0 0 406.284 2.364 20 30 HEEDRN N#CC1(C(=O)OCC(=O)NCCOc2cccc(C(F)(F)F)c2)CCOCC1 ZINC000767397470 1079846220 /nfs/dbraw/zinc/84/62/20/1079846220.db2.gz BDHOJKZYNRJKOF-UHFFFAOYSA-N 0 0 400.353 2.064 20 30 HEEDRN N#CC1(C(=O)OCC(=O)N2CCN(Cc3cccc4ccccc43)CC2)CCOCC1 ZINC000767401884 1079848766 /nfs/dbraw/zinc/84/87/66/1079848766.db2.gz NCXJWZWOHBZFEJ-UHFFFAOYSA-N 0 0 421.497 2.348 20 30 HEEDRN CC1CC(C#N)(C(=O)OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000767424147 1079857014 /nfs/dbraw/zinc/85/70/14/1079857014.db2.gz QKUNYDWNOLUPMF-UHFFFAOYSA-N 0 0 413.883 2.012 20 30 HEEDRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)OC(=O)C2(C#N)CC(C)C2)c1 ZINC000767431691 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CCC(C)(C)NC(=O)[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000767678579 1080035730 /nfs/dbraw/zinc/03/57/30/1080035730.db2.gz FFGHEQKXMLGNCX-RHSMWYFYSA-N 0 0 423.535 2.098 20 30 HEEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1nc(-c2cccs2)no1 ZINC000767680524 1080036789 /nfs/dbraw/zinc/03/67/89/1080036789.db2.gz MHKSZTXBAXGGIB-NSHDSACASA-N 0 0 418.456 2.080 20 30 HEEDRN CSc1ccc(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000767681363 1080036984 /nfs/dbraw/zinc/03/69/84/1080036984.db2.gz QTSIIXLODGOFPF-ZDUSSCGKSA-N 0 0 418.496 2.373 20 30 HEEDRN C[C@@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCN1C(=O)OC(C)(C)C ZINC000742083120 1080043895 /nfs/dbraw/zinc/04/38/95/1080043895.db2.gz ZTCNMZAAUJZICQ-CQSZACIVSA-N 0 0 410.478 2.408 20 30 HEEDRN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H]3CCc4cc(C#N)ccc43)C2=O)cc1 ZINC000785552584 1080055442 /nfs/dbraw/zinc/05/54/42/1080055442.db2.gz HRULDWUVEYIUSE-CVDCTZTESA-N 0 0 402.454 2.437 20 30 HEEDRN 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423.535 2.232 20 30 HEEDRN N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)O[C@H]3Cc4ccccc4C3=O)C2=O)cc1 ZINC000770020873 1078691112 /nfs/dbraw/zinc/69/11/12/1078691112.db2.gz HIDRLDLEWQDCNL-ROUUACIJSA-N 0 0 403.394 2.114 20 30 HEEDRN CNc1ncc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)s1 ZINC000770036111 1078699477 /nfs/dbraw/zinc/69/94/77/1078699477.db2.gz ORGMYIWJSZRGQU-UHFFFAOYSA-N 0 0 405.480 2.307 20 30 HEEDRN C=CCNC(=O)c1cccc(S(=O)(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000745937226 1078703345 /nfs/dbraw/zinc/70/33/45/1078703345.db2.gz AASNXMIQBJKTCT-UHFFFAOYSA-N 0 0 411.524 2.184 20 30 HEEDRN Cc1ccc(N(C(=O)COC(=O)C2(C#N)CC(C)C2)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000770052085 1078706221 /nfs/dbraw/zinc/70/62/21/1078706221.db2.gz HWWYRKQLJLLDPV-TUVDCLKLSA-N 0 0 416.499 2.430 20 30 HEEDRN C[C@H](OC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000770099565 1078723072 /nfs/dbraw/zinc/72/30/72/1078723072.db2.gz MOJFNTJWKRNRLA-IINYFYTJSA-N 0 0 415.899 2.046 20 30 HEEDRN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@]3(C#N)CCc4ccccc4C3)C2=O)cc1 ZINC000770113565 1078734352 /nfs/dbraw/zinc/73/43/52/1078734352.db2.gz SROBLJCWHOHCGU-BJKOFHAPSA-N 0 0 416.481 2.330 20 30 HEEDRN C=CCNc1ncc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)s1 ZINC000770118632 1078737847 /nfs/dbraw/zinc/73/78/47/1078737847.db2.gz KROXJTXBHHMVDI-UHFFFAOYSA-N 0 0 406.489 2.186 20 30 HEEDRN C=CCNc1ncc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)s1 ZINC000770119871 1078738309 /nfs/dbraw/zinc/73/83/09/1078738309.db2.gz XXCKFELUEQTQOC-UHFFFAOYSA-N 0 0 402.476 2.303 20 30 HEEDRN C=CCNS(=O)(=O)c1cc(C(=O)Nc2nc3c(cccc3OC)n2C)ccc1F ZINC000770177696 1078748787 /nfs/dbraw/zinc/74/87/87/1078748787.db2.gz LOYYDGHCAIERJE-UHFFFAOYSA-N 0 0 418.450 2.438 20 30 HEEDRN CCN(CCC#N)C(=O)COC(=O)[C@@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000770182452 1078750400 /nfs/dbraw/zinc/75/04/00/1078750400.db2.gz KBDLSUMQIBVURC-HNNXBMFYSA-N 0 0 401.492 2.274 20 30 HEEDRN C#CCOc1ccc(NC(=O)C(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)cc1 ZINC000746047840 1078757285 /nfs/dbraw/zinc/75/72/85/1078757285.db2.gz RGYXQNOXIFOMPC-HNNXBMFYSA-N 0 0 414.462 2.412 20 30 HEEDRN C=C(Br)CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000770223832 1078773170 /nfs/dbraw/zinc/77/31/70/1078773170.db2.gz SGGSDXLDYIPZTC-HNNXBMFYSA-N 0 0 418.650 2.271 20 30 HEEDRN O=C(CCNC(=O)C1N=CC=CC1=O)Nc1cc2c(cc1Br)OCCO2 ZINC000746107619 1078788587 /nfs/dbraw/zinc/78/85/87/1078788587.db2.gz YTOYPFZOTVVETJ-WUKNDPDISA-N 0 0 422.235 2.075 20 30 HEEDRN Cc1cc(C)n(-c2ccc(CCNC(=O)CCNC(=O)C3N=CC=CC3=O)cc2)n1 ZINC000746127261 1078799659 /nfs/dbraw/zinc/79/96/59/1078799659.db2.gz LNTYRVAAQCPALV-QURGRASLSA-N 0 0 407.474 2.064 20 30 HEEDRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000746133430 1078801782 /nfs/dbraw/zinc/80/17/82/1078801782.db2.gz SQQGPLFLVQNWNJ-DQRAZIAOSA-N 0 0 407.474 2.384 20 30 HEEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)c2cnc3ccccc3c2)C1 ZINC000770327644 1078829452 /nfs/dbraw/zinc/82/94/52/1078829452.db2.gz MXMLGOQIMRNRBH-PBHICJAKSA-N 0 0 402.476 2.272 20 30 HEEDRN N#C[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccc(OC(F)(F)F)cc1 ZINC000746239141 1078829699 /nfs/dbraw/zinc/82/96/99/1078829699.db2.gz FFTCQRKXALOQSP-WPCFGXOUSA-N 0 0 408.336 2.183 20 30 HEEDRN CCCCn1ncc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1C ZINC000746241806 1078830121 /nfs/dbraw/zinc/83/01/21/1078830121.db2.gz OTDYQMLJCGCYJP-ZDUSSCGKSA-N 0 0 403.508 2.447 20 30 HEEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)c1 ZINC000746266199 1078838493 /nfs/dbraw/zinc/83/84/93/1078838493.db2.gz ZPHOJMHQQHUOGI-LPHOPBHVSA-N 0 0 423.473 2.174 20 30 HEEDRN O=C(CCc1ccccc1)N1CCC(C(=O)NCc2ccc(C(=O)NO)cc2)CC1 ZINC000746269448 1078839483 /nfs/dbraw/zinc/83/94/83/1078839483.db2.gz VTGHZJVMBLZRCW-UHFFFAOYSA-N 0 0 409.486 2.293 20 30 HEEDRN O=C(CCNC(=O)C1N=CC=CC1=O)NC1(c2cccc(Br)c2)CC1 ZINC000746294584 1078844880 /nfs/dbraw/zinc/84/48/80/1078844880.db2.gz OKJFUDXHNBEGMO-WUKNDPDISA-N 0 0 404.264 2.471 20 30 HEEDRN C#CCN(C(=O)NC1CN(C(=O)OC)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000770431750 1078852409 /nfs/dbraw/zinc/85/24/09/1078852409.db2.gz XAXMVZVDGYMQIP-HNNXBMFYSA-N 0 0 422.279 2.368 20 30 HEEDRN O=C(CCNC(=O)C1N=CC=CC1=O)Nc1nc2cc(Br)ccc2[nH]1 ZINC000746327785 1078860481 /nfs/dbraw/zinc/86/04/81/1078860481.db2.gz MZTYZBJFZYJZMB-CCEZHUSRSA-N 0 0 404.224 2.180 20 30 HEEDRN C#CCN(Cc1noc(Cc2ccc(Br)cc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000749281102 1078864520 /nfs/dbraw/zinc/86/45/20/1078864520.db2.gz LTRNIVODJLZFOP-HNNXBMFYSA-N 0 0 424.320 2.045 20 30 HEEDRN Cc1cc(C)n(C2N=NC(=S)N2N=Cc2cnc3cnc(Br)cn23)n1 ZINC000746369417 1078878962 /nfs/dbraw/zinc/87/89/62/1078878962.db2.gz SPQCXQJHTMNWQV-UHFFFAOYSA-N 0 0 418.284 2.057 20 30 HEEDRN N#CCn1cc(NC(=O)C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cn1 ZINC000746390480 1078891928 /nfs/dbraw/zinc/89/19/28/1078891928.db2.gz FTELPODXFGGTKU-OAHLLOKOSA-N 0 0 408.245 2.252 20 30 HEEDRN N#CCOc1ccc(CNC(=O)C(=O)Nc2ccnn2CCc2ccccc2)cc1 ZINC000746394977 1078893990 /nfs/dbraw/zinc/89/39/90/1078893990.db2.gz IVFHYLSBOJEEPT-UHFFFAOYSA-N 0 0 403.442 2.283 20 30 HEEDRN C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)OCc2ccnc(C#N)c2)C1=O ZINC000770583708 1078897220 /nfs/dbraw/zinc/89/72/20/1078897220.db2.gz KUVMSIACZTUHIQ-LJQANCHMSA-N 0 0 416.796 2.256 20 30 HEEDRN CC(C)[C@@](C)(O)C(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000770560525 1078903593 /nfs/dbraw/zinc/90/35/93/1078903593.db2.gz JFLZBIFZJOEPLI-IVZQSRNASA-N 0 0 417.506 2.306 20 30 HEEDRN COC(=O)C[C@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccc(C(C)(C)C)cc1 ZINC000746415198 1078912926 /nfs/dbraw/zinc/91/29/26/1078912926.db2.gz RNNCDWORIAHMHF-KRWDZBQOSA-N 0 0 411.462 2.063 20 30 HEEDRN N#Cc1ncn(CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)c1C#N ZINC000766360108 1078914280 /nfs/dbraw/zinc/91/42/80/1078914280.db2.gz GGQRQULNZAUVFK-UHFFFAOYSA-N 0 0 414.381 2.246 20 30 HEEDRN COC(=O)[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)c2ccccc21 ZINC000766359127 1078914389 /nfs/dbraw/zinc/91/43/89/1078914389.db2.gz SJCKPGDVAJEOKN-JPYJTQIMSA-N 0 0 418.453 2.450 20 30 HEEDRN C=CCn1c(Cc2ccccc2)nn(CN2CC[C@H](S(=O)(=O)NCC)C2)c1=S ZINC000770674352 1078927749 /nfs/dbraw/zinc/92/77/49/1078927749.db2.gz GJOGPVWPXKKRJY-KRWDZBQOSA-N 0 0 421.592 2.162 20 30 HEEDRN Cc1cc(NC(=O)C(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C)n(CCC#N)n1 ZINC000746432098 1078931740 /nfs/dbraw/zinc/93/17/40/1078931740.db2.gz JTJAAHYVEVEWHB-UHFFFAOYSA-N 0 0 420.514 2.053 20 30 HEEDRN CCOC1CC(CNC(=O)Nc2ccccc2O[C@H](C)C#N)(N2CCOCC2)C1 ZINC000770651281 1078938318 /nfs/dbraw/zinc/93/83/18/1078938318.db2.gz AWQZUFOYCXVQTK-ZGGTZUKQSA-N 0 0 402.495 2.369 20 30 HEEDRN COc1cccc(CCCOC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000766377102 1078944570 /nfs/dbraw/zinc/94/45/70/1078944570.db2.gz FOKIUJOYIOENES-HNNXBMFYSA-N 0 0 402.472 2.410 20 30 HEEDRN N#CCN1CCC(OC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)CC1 ZINC000770772101 1078989462 /nfs/dbraw/zinc/98/94/62/1078989462.db2.gz YUFAWERDVAQRHP-XDJHFCHBSA-N 0 0 404.430 2.462 20 30 HEEDRN N#C[C@H](c1ccccc1)N1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 ZINC000746448559 1078990039 /nfs/dbraw/zinc/99/00/39/1078990039.db2.gz GCYBYARHOMXEEQ-QGZVFWFLSA-N 0 0 423.542 2.157 20 30 HEEDRN N#CCN1CCC(OC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 ZINC000770776193 1078998292 /nfs/dbraw/zinc/99/82/92/1078998292.db2.gz IKFJFHNBUTZSIU-FXAWDEMLSA-N 0 0 403.479 2.247 20 30 HEEDRN N#CCN1CCC(OC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)CC1 ZINC000770776935 1079009196 /nfs/dbraw/zinc/00/91/96/1079009196.db2.gz POSPVIPVNKQAIA-UHFFFAOYSA-N 0 0 400.504 2.258 20 30 HEEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1(Cc2ccc(F)cc2)CC1 ZINC000770777874 1079009612 /nfs/dbraw/zinc/00/96/12/1079009612.db2.gz OBUJCJCURHMARF-UHFFFAOYSA-N 0 0 401.463 2.003 20 30 HEEDRN CCN(CC)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1OC ZINC000766459062 1079011074 /nfs/dbraw/zinc/01/10/74/1079011074.db2.gz QHXVLORNIBWHOL-GOSISDBHSA-N 0 0 415.515 2.325 20 30 HEEDRN CN(CC(=O)OC1CCN(CC#N)CC1)C(=O)c1ccc(Br)s1 ZINC000770783868 1079013888 /nfs/dbraw/zinc/01/38/88/1079013888.db2.gz XDULSDLVZPIXIU-UHFFFAOYSA-N 0 0 400.298 2.114 20 30 HEEDRN CCOC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000770795916 1079021073 /nfs/dbraw/zinc/02/10/73/1079021073.db2.gz AGKCHVBSQVOSPX-MRXNPFEDSA-N 0 0 423.429 2.031 20 30 HEEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CCc3cc(O)ccc3C2)C1 ZINC000770790649 1079018575 /nfs/dbraw/zinc/01/85/75/1079018575.db2.gz INZNUSGCPVBVHA-XYJFISCASA-N 0 0 400.479 2.308 20 30 HEEDRN COc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000766465743 1079025216 /nfs/dbraw/zinc/02/52/16/1079025216.db2.gz CQUBCHIJXDPAQB-UHFFFAOYSA-N 0 0 417.462 2.419 20 30 HEEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)CC(C)(C)C ZINC000770805147 1079026408 /nfs/dbraw/zinc/02/64/08/1079026408.db2.gz IJZCCHXPGKAKLO-HOCLYGCPSA-N 0 0 409.552 2.197 20 30 HEEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)CC(C)(C)C ZINC000770805150 1079026491 /nfs/dbraw/zinc/02/64/91/1079026491.db2.gz IJZCCHXPGKAKLO-ZBFHGGJFSA-N 0 0 409.552 2.197 20 30 HEEDRN COC(=O)c1coc(C(=O)/C=C\c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)c1 ZINC000766489587 1079029562 /nfs/dbraw/zinc/02/95/62/1079029562.db2.gz FQXDIQSBWFHZQO-VSQXVHSFSA-N 0 0 412.851 2.480 20 30 HEEDRN COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000766479813 1079033514 /nfs/dbraw/zinc/03/35/14/1079033514.db2.gz XLNWGPCDQHQYEU-HNNXBMFYSA-N 0 0 401.488 2.443 20 30 HEEDRN COc1cc(C#N)ccc1S(=O)(=O)Oc1cccc(NC(=O)c2cnn(C)c2)c1 ZINC000766482239 1079033891 /nfs/dbraw/zinc/03/38/91/1079033891.db2.gz ALBAUBPDHKNVOB-UHFFFAOYSA-N 0 0 412.427 2.320 20 30 HEEDRN C=CCN(C(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000766483403 1079034915 /nfs/dbraw/zinc/03/49/15/1079034915.db2.gz WLZXWKBFLKYHFM-MOPGFXCFSA-N 0 0 420.531 2.237 20 30 HEEDRN COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000766483398 1079034976 /nfs/dbraw/zinc/03/49/76/1079034976.db2.gz WLMQCBHVTWKVKR-HNNXBMFYSA-N 0 0 409.508 2.492 20 30 HEEDRN O=C(OCCC#Cc1ccc(CN2CCOCC2)cc1)c1cccc(-n2cnnn2)c1 ZINC000770861830 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Cc1ccc([C@H](O)CNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)o1 ZINC000741390036 1076496791 /nfs/dbraw/zinc/49/67/91/1076496791.db2.gz IRBDBJYYJKOKOG-USCXLKSCSA-N 0 0 420.491 2.256 20 30 HEEDRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000741380846 1076505079 /nfs/dbraw/zinc/50/50/79/1076505079.db2.gz KVNRSKOBCLBDTL-APWZRJJASA-N 0 0 400.479 2.096 20 30 HEEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCc2nnc(-c3ccccc3)[nH]2)CC1 ZINC000741419863 1076518041 /nfs/dbraw/zinc/51/80/41/1076518041.db2.gz XWERBPQASRXYEW-UHFFFAOYSA-N 0 0 418.461 2.241 20 30 HEEDRN CCc1cc(CNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)on1 ZINC000741393991 1076519712 /nfs/dbraw/zinc/51/97/12/1076519712.db2.gz VFPLRZVGSJFHPS-XLNRJJMWSA-N 0 0 405.480 2.372 20 30 HEEDRN N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1)c1nnc2n1CCCCC2 ZINC000741429089 1076521473 /nfs/dbraw/zinc/52/14/73/1076521473.db2.gz BVKDZJGOXPZULM-IEBWSBKVSA-N 0 0 421.501 2.498 20 30 HEEDRN CCCNC(=O)c1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 ZINC000741429121 1076521523 /nfs/dbraw/zinc/52/15/23/1076521523.db2.gz CAKQVFZYNZCVLB-IBGZPJMESA-N 0 0 420.469 2.489 20 30 HEEDRN CC(C)(C)OC(=O)CSCC(=O)[C@@H](C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000741430854 1076523096 /nfs/dbraw/zinc/52/30/96/1076523096.db2.gz MUTBPVDXIPMVMT-CYBMUJFWSA-N 0 0 414.491 2.449 20 30 HEEDRN CCc1c(C(=O)OCCn2ncc(C#N)c2N)nnn1-c1ccc(OC(C)C)cc1 ZINC000741436224 1076526602 /nfs/dbraw/zinc/52/66/02/1076526602.db2.gz ONZAQNZXXAMFRH-UHFFFAOYSA-N 0 0 409.450 2.124 20 30 HEEDRN C#CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H](C)COC)cc2)cc1 ZINC000741522850 1076541417 /nfs/dbraw/zinc/54/14/17/1076541417.db2.gz VXODSGSECMURLT-OAHLLOKOSA-N 0 0 402.472 2.264 20 30 HEEDRN C#CCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000741526863 1076541702 /nfs/dbraw/zinc/54/17/02/1076541702.db2.gz FWZWUOIJRPOHPN-UHFFFAOYSA-N 0 0 408.454 2.314 20 30 HEEDRN C#CCOc1ccc(C(=O)N2c3ccccc3CC[C@H]2C(=O)N2CCN(C)CC2)cc1 ZINC000741539460 1076542688 /nfs/dbraw/zinc/54/26/88/1076542688.db2.gz LRNRETJNRQKPTF-QHCPKHFHSA-N 0 0 417.509 2.434 20 30 HEEDRN C#CCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1C ZINC000741540276 1076542773 /nfs/dbraw/zinc/54/27/73/1076542773.db2.gz QJJMYZRDIATIJX-UHFFFAOYSA-N 0 0 411.483 2.150 20 30 HEEDRN C#CCOc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000741516408 1076543241 /nfs/dbraw/zinc/54/32/41/1076543241.db2.gz VCBXALFTWWOHKB-UHFFFAOYSA-N 0 0 418.446 2.111 20 30 HEEDRN COC(=O)C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000741581174 1076552723 /nfs/dbraw/zinc/55/27/23/1076552723.db2.gz COCLARRJHUGVEY-KRWDZBQOSA-N 0 0 412.467 2.167 20 30 HEEDRN C#CCOc1cc(F)ccc1NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 ZINC000741636884 1076566466 /nfs/dbraw/zinc/56/64/66/1076566466.db2.gz ZECJZHHQWOLDJT-UHFFFAOYSA-N 0 0 415.446 2.371 20 30 HEEDRN C#CCOc1ccc(F)cc1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000741643418 1076568024 /nfs/dbraw/zinc/56/80/24/1076568024.db2.gz ADPYTVKNRJCFMA-UHFFFAOYSA-N 0 0 414.414 2.397 20 30 HEEDRN CCOC(=O)C1=C(C(=O)c2ccccc2C)[C@H](c2cn(C)nn2)NC(=O)N1CC1CC1 ZINC000741652579 1076577114 /nfs/dbraw/zinc/57/71/14/1076577114.db2.gz GOQVWDQJNOQCDL-SFHVURJKSA-N 0 0 423.473 2.300 20 30 HEEDRN C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3ccccc3SCC#N)cn2)C[C@H](C)O1 ZINC000741726308 1076607647 /nfs/dbraw/zinc/60/76/47/1076607647.db2.gz KPOWNWYKXUBZBR-GJZGRUSLSA-N 0 0 413.503 2.387 20 30 HEEDRN C#CCOc1ccc(F)cc1NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 ZINC000741729567 1076609709 /nfs/dbraw/zinc/60/97/09/1076609709.db2.gz ASWMBLXYSRFLAE-UHFFFAOYSA-N 0 0 401.419 2.200 20 30 HEEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(C)(C)C(=O)OC)cc2)c1 ZINC000741730939 1076610638 /nfs/dbraw/zinc/61/06/38/1076610638.db2.gz KSJXYUAFMCFRFJ-UHFFFAOYSA-N 0 0 414.483 2.301 20 30 HEEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1 ZINC000741732542 1076611117 /nfs/dbraw/zinc/61/11/17/1076611117.db2.gz SPEYWARIDXJKJU-YWZLYKJASA-N 0 0 416.474 2.339 20 30 HEEDRN CCC(N=Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000741810951 1076634506 /nfs/dbraw/zinc/63/45/06/1076634506.db2.gz NYRFUEAHWAZPSF-UHFFFAOYSA-N 0 0 406.468 2.339 20 30 HEEDRN C[C@H](OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N(C)CCC#N ZINC000741827231 1076647593 /nfs/dbraw/zinc/64/75/93/1076647593.db2.gz HCTNRCWSTASFDU-FXAWDEMLSA-N 0 0 407.470 2.331 20 30 HEEDRN COc1ccc(C#N)cc1NC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000741916447 1076670512 /nfs/dbraw/zinc/67/05/12/1076670512.db2.gz ZYEVVOOWIWOTTE-UHFFFAOYSA-N 0 0 412.471 2.366 20 30 HEEDRN N#Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)cc1C#N ZINC000741942414 1076675337 /nfs/dbraw/zinc/67/53/37/1076675337.db2.gz CPDGTCHAZBZHLO-URZUPRTMSA-N 0 0 413.437 2.172 20 30 HEEDRN C#CCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1 ZINC000741952403 1076692163 /nfs/dbraw/zinc/69/21/63/1076692163.db2.gz KSMHYCQWUAXKDG-UHFFFAOYSA-N 0 0 418.446 2.111 20 30 HEEDRN C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](C)Oc2cccc(OC)c2)ccc1F ZINC000742015390 1076708243 /nfs/dbraw/zinc/70/82/43/1076708243.db2.gz GQSHAXAEEOOYIA-CQSZACIVSA-N 0 0 422.478 2.496 20 30 HEEDRN CC1CCC(N(C[C@H]2CCCO2)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000741997023 1076711877 /nfs/dbraw/zinc/71/18/77/1076711877.db2.gz DHELTINARVEWJR-OFLPRAFFSA-N 0 0 419.547 2.311 20 30 HEEDRN CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NS(=O)(=O)N2CCCC2)cc1 ZINC000742027862 1076722542 /nfs/dbraw/zinc/72/25/42/1076722542.db2.gz JWPZSOJQEVJBGE-ZPHPHTNESA-N 0 0 414.553 2.032 20 30 HEEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1 ZINC000742065438 1076732595 /nfs/dbraw/zinc/73/25/95/1076732595.db2.gz FHPRVPSGVSADGA-UHFFFAOYSA-N 0 0 415.415 2.278 20 30 HEEDRN C#CCSCCNC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O ZINC000742081287 1076737707 /nfs/dbraw/zinc/73/77/07/1076737707.db2.gz CLYHLQXWBKJLQO-QGZVFWFLSA-N 0 0 422.348 2.460 20 30 HEEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@H]1CCCO1)C1CCCC1 ZINC000742114276 1076746324 /nfs/dbraw/zinc/74/63/24/1076746324.db2.gz CXHIJQCCXMYFHL-MRXNPFEDSA-N 0 0 405.520 2.065 20 30 HEEDRN COc1cccc(F)c1[C@@H](C)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742116334 1076747050 /nfs/dbraw/zinc/74/70/50/1076747050.db2.gz YZUIACJAARITMG-GFCCVEGCSA-N 0 0 405.451 2.140 20 30 HEEDRN Cc1cccc(O[C@@H](C)CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000742119750 1076748193 /nfs/dbraw/zinc/74/81/93/1076748193.db2.gz SVFWNZUNNGJFLR-INIZCTEOSA-N 0 0 415.515 2.397 20 30 HEEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)Oc2ccccc2Cl)c1 ZINC000742141380 1076754554 /nfs/dbraw/zinc/75/45/54/1076754554.db2.gz MRPYBSSMSKBHMQ-CQSZACIVSA-N 0 0 406.891 2.449 20 30 HEEDRN COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc4c(c3)CCC4)c2=O)cc1C#N ZINC000742142930 1076755380 /nfs/dbraw/zinc/75/53/80/1076755380.db2.gz CQDFPFOYFTWCAE-UHFFFAOYSA-N 0 0 424.485 2.295 20 30 HEEDRN COCc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(OC)cc3)c2=O)cc1 ZINC000742143935 1076755780 /nfs/dbraw/zinc/75/57/80/1076755780.db2.gz OEKXFTMOSOXRKQ-UHFFFAOYSA-N 0 0 403.463 2.081 20 30 HEEDRN C=CCn1c(-c2ccccc2OC)nn(CN2CCCS(=O)(=O)CC2)c1=S ZINC000742153486 1076767825 /nfs/dbraw/zinc/76/78/25/1076767825.db2.gz QJUGSOYLZTUSKT-UHFFFAOYSA-N 0 0 408.549 2.354 20 30 HEEDRN C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCO[C@H](COC)C2)c1=S ZINC000742156656 1076769692 /nfs/dbraw/zinc/76/96/92/1076769692.db2.gz CRFIKQFXYZMJJZ-MAUKXSAKSA-N 0 0 418.519 2.417 20 30 HEEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H](OCC)C23CCCCC3)c1 ZINC000742190571 1076779080 /nfs/dbraw/zinc/77/90/80/1076779080.db2.gz SDDQOLYBRFIRDR-MOPGFXCFSA-N 0 0 404.532 2.456 20 30 HEEDRN COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 ZINC000742245071 1076804726 /nfs/dbraw/zinc/80/47/26/1076804726.db2.gz DEKHRNSRPWHOJL-GHBPJGPDSA-N 0 0 421.519 2.417 20 30 HEEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](c2ccccc2F)N2CCOCC2)c1 ZINC000742245817 1076805051 /nfs/dbraw/zinc/80/50/51/1076805051.db2.gz SFTUARYEVMNBFW-JOCHJYFZSA-N 0 0 409.461 2.277 20 30 HEEDRN Cc1c(Cl)cccc1NC(=O)CCNC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000742249346 1076806321 /nfs/dbraw/zinc/80/63/21/1076806321.db2.gz QHDYIVPYJBHVEH-HNENSFHCSA-N 0 0 404.854 2.010 20 30 HEEDRN CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000742292994 1076819091 /nfs/dbraw/zinc/81/90/91/1076819091.db2.gz SXIQITLMMWNVRK-UHFFFAOYSA-N 0 0 403.483 2.376 20 30 HEEDRN CCOC(=O)N1CCC(S(=O)(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000742292343 1076819287 /nfs/dbraw/zinc/81/92/87/1076819287.db2.gz CPKZVSZYEWCXLO-UHFFFAOYSA-N 0 0 421.519 2.352 20 30 HEEDRN CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cc(C#N)ccc2F)c1 ZINC000742328208 1076824940 /nfs/dbraw/zinc/82/49/40/1076824940.db2.gz QBHHXXRFOGXIJR-UHFFFAOYSA-N 0 0 402.856 2.233 20 30 HEEDRN Cc1ccccc1C[C@@H](C)NC(=O)CON=C1C(=O)Nc2cc3c(cc21)OCCO3 ZINC000742353665 1076829256 /nfs/dbraw/zinc/82/92/56/1076829256.db2.gz PSIFPRSVPWGFNB-CQSZACIVSA-N 0 0 409.442 2.186 20 30 HEEDRN Cc1cc(N2CC[C@@H](ON=C(N)c3cccnc3Oc3ccccc3)C2=O)n(C)n1 ZINC000742356907 1076829994 /nfs/dbraw/zinc/82/99/94/1076829994.db2.gz KHSMOOSKMCKLGI-QGZVFWFLSA-N 0 0 406.446 2.358 20 30 HEEDRN CN(C)S(=O)(=O)c1ccc(CON=CC(=O)Nc2ccc(F)cc2Cl)o1 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Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)OCCNc1ncccc1C#N ZINC000744100528 1077322852 /nfs/dbraw/zinc/32/28/52/1077322852.db2.gz KVXLCUAYQIHPAB-UHFFFAOYSA-N 0 0 400.460 2.071 20 30 HEEDRN COc1cccc(C=c2sc(=C(C#N)C#N)n(-c3cc(C)ccc3F)c2=O)c1OC ZINC000744122100 1077324310 /nfs/dbraw/zinc/32/43/10/1077324310.db2.gz UNGILCHSTWVFBQ-UHFFFAOYSA-N 0 0 421.453 2.390 20 30 HEEDRN CC(=CC(O)=C(C#N)C(=O)N1CCS(=O)(=O)CC1)c1ccccc1C(F)(F)F ZINC000744130589 1077326518 /nfs/dbraw/zinc/32/65/18/1077326518.db2.gz OCPMCKIWZANMKD-GAJOTYCWSA-N 0 0 414.405 2.075 20 30 HEEDRN C#CCOc1ccc(C(=O)OCCNC(=O)c2cncc(Br)c2)cc1 ZINC000744162221 1077328783 /nfs/dbraw/zinc/32/87/83/1077328783.db2.gz NROODMXSVSNMEL-UHFFFAOYSA-N 0 0 403.232 2.443 20 30 HEEDRN C#CCN(CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)C1CCCCC1 ZINC000744153823 1077332896 /nfs/dbraw/zinc/33/28/96/1077332896.db2.gz KCBVMNXPPFYFGC-NRFANRHFSA-N 0 0 417.531 2.083 20 30 HEEDRN C#CCN(CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)C1CCCCC1 ZINC000744153824 1077332915 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402.560 2.281 20 30 HEEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H]1CCOc2cc(F)ccc21 ZINC000766308413 1077373879 /nfs/dbraw/zinc/37/38/79/1077373879.db2.gz YJBUATGMTJOJKF-SJCJKPOMSA-N 0 0 404.419 2.431 20 30 HEEDRN C#CCN(Cc1nnc(-c2c(C)onc2-c2ccccc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000744398468 1077374968 /nfs/dbraw/zinc/37/49/68/1077374968.db2.gz HQKLFTWZVMWHKS-INIZCTEOSA-N 0 0 412.471 2.322 20 30 HEEDRN Cc1ccccc1CNC(=O)[C@@H](C)ON=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000744445961 1077397503 /nfs/dbraw/zinc/39/75/03/1077397503.db2.gz KEAIWKVFNKWRTB-QGZVFWFLSA-N 0 0 410.518 2.298 20 30 HEEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCc1ncc(-c2ccccc2F)o1 ZINC000744494857 1077415477 /nfs/dbraw/zinc/41/54/77/1077415477.db2.gz IHCJZHMYXUSXLN-UHFFFAOYSA-N 0 0 415.402 2.263 20 30 HEEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000744531940 1077446184 /nfs/dbraw/zinc/44/61/84/1077446184.db2.gz OZTMZDMSJDBBFG-QAPCUYQASA-N 0 0 409.442 2.101 20 30 HEEDRN CC#CCOC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 ZINC000744566717 1077452486 /nfs/dbraw/zinc/45/24/86/1077452486.db2.gz BESMWIAYOMXVSG-AWEZNQCLSA-N 0 0 420.350 2.416 20 30 HEEDRN CC(=NNS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000744587861 1077478062 /nfs/dbraw/zinc/47/80/62/1077478062.db2.gz SXQIUNVGUVTPHL-UHFFFAOYSA-N 0 0 424.276 2.483 20 30 HEEDRN C[C@H](OC(=O)[C@]12CCC(=O)N1CCS2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000744573290 1077487629 /nfs/dbraw/zinc/48/76/29/1077487629.db2.gz JLNAYGPEUBIBKI-ORAYPTAESA-N 0 0 405.451 2.070 20 30 HEEDRN CN1CCO[C@H]([C@@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c2ccc(Cl)cc2)C1 ZINC000766321547 1077490276 /nfs/dbraw/zinc/49/02/76/1077490276.db2.gz QRHANGKGIMMZQI-UFYCRDLUSA-N 0 0 417.941 2.093 20 30 HEEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCc2nc([C@@H](C)OCC(C)C)no2)cc1 ZINC000744633349 1077526626 /nfs/dbraw/zinc/52/66/26/1077526626.db2.gz MJXXUPLCTRUTBV-CQSZACIVSA-N 0 0 421.475 2.072 20 30 HEEDRN C[C@H](OC(=O)[C@H]1CCCN1c1ncccn1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000744659120 1077528885 /nfs/dbraw/zinc/52/88/85/1077528885.db2.gz AOKXWPSZHXYHSE-MAUKXSAKSA-N 0 0 411.437 2.463 20 30 HEEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](OC)C(C)(C)C ZINC000744698214 1077546988 /nfs/dbraw/zinc/54/69/88/1077546988.db2.gz PVWRZWWHFWOFBS-RDJZCZTQSA-N 0 0 409.552 2.461 20 30 HEEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)ccc1F ZINC000744730556 1077558980 /nfs/dbraw/zinc/55/89/80/1077558980.db2.gz YWJGUKQVIMGTTF-QMTHXVAHSA-N 0 0 410.389 2.082 20 30 HEEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CC2CC2)c2ccccc21 ZINC000744751100 1077567754 /nfs/dbraw/zinc/56/77/54/1077567754.db2.gz BKHIPZFJSHTMIK-UHFFFAOYSA-N 0 0 424.526 2.378 20 30 HEEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC3CC3)c3ccccc32)c1 ZINC000744754403 1077568971 /nfs/dbraw/zinc/56/89/71/1077568971.db2.gz YIDWLMMSMYMIQU-UHFFFAOYSA-N 0 0 409.511 2.475 20 30 HEEDRN C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1OC ZINC000744737255 1077572568 /nfs/dbraw/zinc/57/25/68/1077572568.db2.gz SJNRQTLHQHDKKC-NBMJBFSESA-N 0 0 412.486 2.150 20 30 HEEDRN C#CCNC(=O)[C@H](C)OC(=O)c1cnn(-c2ccc(Br)cc2)c1CC ZINC000744780106 1077581415 /nfs/dbraw/zinc/58/14/15/1077581415.db2.gz LZLUWVTVGAGXFY-LBPRGKRZSA-N 0 0 404.264 2.492 20 30 HEEDRN C[C@H](OC(=O)C(C)(C)C#N)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000744792388 1077592491 /nfs/dbraw/zinc/59/24/91/1077592491.db2.gz DDTJZCCTQGPYKX-JTQLQIEISA-N 0 0 401.872 2.010 20 30 HEEDRN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000744793512 1077593099 /nfs/dbraw/zinc/59/30/99/1077593099.db2.gz OSWMIRJCPDMOCD-MRXNPFEDSA-N 0 0 418.475 2.246 20 30 HEEDRN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000744793857 1077594827 /nfs/dbraw/zinc/59/48/27/1077594827.db2.gz SRWKWAXUFVADRR-PBHICJAKSA-N 0 0 407.492 2.023 20 30 HEEDRN CS(=O)(=O)c1nc(C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)c2ccccn21 ZINC000744854210 1077622666 /nfs/dbraw/zinc/62/26/66/1077622666.db2.gz FTCWLVKPRMYHNH-UHFFFAOYSA-N 0 0 423.410 2.016 20 30 HEEDRN C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000744894271 1077636343 /nfs/dbraw/zinc/63/63/43/1077636343.db2.gz GGHLWAMBCUYZSO-NSHDSACASA-N 0 0 406.382 2.121 20 30 HEEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C ZINC000744965910 1077682120 /nfs/dbraw/zinc/68/21/20/1077682120.db2.gz AFCJQKYSCDSZSJ-JJXSEGSLSA-N 0 0 423.510 2.498 20 30 HEEDRN C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000744973697 1077686944 /nfs/dbraw/zinc/68/69/44/1077686944.db2.gz FBPMTCRNVZPCKQ-PBHICJAKSA-N 0 0 402.516 2.180 20 30 HEEDRN C[C@@H](OC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)C(=O)N(C)CCC#N ZINC000744979819 1077691516 /nfs/dbraw/zinc/69/15/16/1077691516.db2.gz WIVLAFWIIZAQQY-DOMZBBRYSA-N 0 0 409.895 2.159 20 30 HEEDRN Cn1ccc(N2CCC[C@H](OC(=O)CCC(=O)N(CCC#N)c3ccccc3)C2=O)n1 ZINC000744991291 1077697019 /nfs/dbraw/zinc/69/70/19/1077697019.db2.gz PPUIQMPRAKJOFE-SFHVURJKSA-N 0 0 423.473 2.186 20 30 HEEDRN N#Cc1ccc(-c2nnc(COC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)o2)cc1 ZINC000745000143 1077702584 /nfs/dbraw/zinc/70/25/84/1077702584.db2.gz XTRDAHWKROAYDO-UHFFFAOYSA-N 0 0 417.341 2.454 20 30 HEEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000745068914 1077718760 /nfs/dbraw/zinc/71/87/60/1077718760.db2.gz PWWJEDBMYMMWFN-DZGCQCFKSA-N 0 0 405.451 2.196 20 30 HEEDRN C=CCNS(=O)(=O)c1cc(C(=O)NCc2noc(-c3cccs3)n2)ccc1F ZINC000745061433 1077722934 /nfs/dbraw/zinc/72/29/34/1077722934.db2.gz KSBZOCHWHTZHLY-UHFFFAOYSA-N 0 0 422.463 2.332 20 30 HEEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000766324659 1077748256 /nfs/dbraw/zinc/74/82/56/1077748256.db2.gz HJEGNGINTBHPPE-OLZOCXBDSA-N 0 0 403.416 2.438 20 30 HEEDRN CC(=O)N[C@H](CC(=O)OCC(=O)NC1(C#N)CCCCC1)c1ccc(F)cc1F ZINC000745143575 1077755914 /nfs/dbraw/zinc/75/59/14/1077755914.db2.gz SANWWCHLUPIAIQ-QGZVFWFLSA-N 0 0 407.417 2.418 20 30 HEEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCc1c[nH]c2cc(Cl)ccc12 ZINC000745146631 1077757402 /nfs/dbraw/zinc/75/74/02/1077757402.db2.gz MFXKOWNRRGVDKJ-UHFFFAOYSA-N 0 0 416.890 2.219 20 30 HEEDRN C=CCN(Cc1cccc(C#N)c1)Cn1nc([C@@H]2CCS(=O)(=O)C2)n(C)c1=S ZINC000745162725 1077762215 /nfs/dbraw/zinc/76/22/15/1077762215.db2.gz SXAOCASHRUDZDC-QGZVFWFLSA-N 0 0 417.560 2.371 20 30 HEEDRN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)COC(=O)c2nnn(C)c2C)c1C#N ZINC000745167338 1077765451 /nfs/dbraw/zinc/76/54/51/1077765451.db2.gz LPTNLWOVACXXME-UHFFFAOYSA-N 0 0 410.409 2.337 20 30 HEEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000766326810 1077772056 /nfs/dbraw/zinc/77/20/56/1077772056.db2.gz YNHXYYPSENQFCP-LLVKDONJSA-N 0 0 407.379 2.016 20 30 HEEDRN CC(=NNc1ccccc1S(=O)(=O)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000745200309 1077773723 /nfs/dbraw/zinc/77/37/23/1077773723.db2.gz DUZMKKCIFDQZOR-UHFFFAOYSA-N 0 0 404.448 2.452 20 30 HEEDRN CCOc1ccc(O)c(C=NNc2ccccc2S(=O)(=O)N2CCOCC2)c1 ZINC000745201643 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