smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000819744126 945280173 /nfs/dbraw/zinc/28/01/73/945280173.db2.gz XISGNSTZEZDJHY-SIKLNZKXSA-N 0 0 388.475 3.295 20 30 GGEDRN N#Cc1ccc(OC2CC[NH+](CCOc3ccccc3C(=O)[O-])CC2)c(F)c1 ZINC001601109126 970934629 /nfs/dbraw/zinc/93/46/29/970934629.db2.gz GGOZQKPQMQTRDL-UHFFFAOYSA-N 0 0 384.407 3.318 20 30 GGEDRN Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[nH]n3)c2)cc1Oc1ccncc1 ZINC000737316144 945036056 /nfs/dbraw/zinc/03/60/56/945036056.db2.gz UOKUMEYSRAEUAC-UHFFFAOYSA-N 0 0 397.398 3.486 20 30 GGEDRN C[C@@H](NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)c1cccc(C#N)c1 ZINC000820343088 945421521 /nfs/dbraw/zinc/42/15/21/945421521.db2.gz ZXWYXVHANCODBR-CQSZACIVSA-N 0 0 387.447 3.174 20 30 GGEDRN C=C(C)CN(CC)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[nH]n2)n1 ZINC000823877600 946498279 /nfs/dbraw/zinc/49/82/79/946498279.db2.gz AQYHALBBKBYQNN-UHFFFAOYSA-N 0 0 386.847 3.136 20 30 GGEDRN C=CCCCN(C)C(=O)Nc1ccn(-c2ccc(-c3nn[nH]n3)cc2Cl)n1 ZINC000823894492 946503873 /nfs/dbraw/zinc/50/38/73/946503873.db2.gz RLUUWUZUSXZHLL-UHFFFAOYSA-N 0 0 386.847 3.136 20 30 GGEDRN CC(C)(C)OC(=O)N[C@@H]1CCCCCC1N=Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824109634 946594663 /nfs/dbraw/zinc/59/46/63/946594663.db2.gz ULIFSHDRQNNBCG-OAHLLOKOSA-N 0 0 385.472 3.492 20 30 GGEDRN C#C[C@@H](NC(=O)c1ccc(OCc2ccccc2-c2nn[nH]n2)cc1)C(C)(C)C ZINC001573278939 946625694 /nfs/dbraw/zinc/62/56/94/946625694.db2.gz AMRZULZWWIFEPL-LJQANCHMSA-N 0 0 389.459 3.223 20 30 GGEDRN C#C[C@H](NC(=O)c1ccc(OCc2ccccc2-c2nn[nH]n2)cc1)C(C)(C)C ZINC001573278936 946626882 /nfs/dbraw/zinc/62/68/82/946626882.db2.gz AMRZULZWWIFEPL-IBGZPJMESA-N 0 0 389.459 3.223 20 30 GGEDRN C#C[C@H](CC)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[nH]n2)c1 ZINC001573279196 946633595 /nfs/dbraw/zinc/63/35/95/946633595.db2.gz CZYDSRPZRWICOT-CQSZACIVSA-N 0 0 381.823 3.454 20 30 GGEDRN C#C[C@H](NC(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1)c1ccccc1 ZINC001573279249 946635522 /nfs/dbraw/zinc/63/55/22/946635522.db2.gz DVIUHTCQMSGQOH-SFHVURJKSA-N 0 0 399.410 3.143 20 30 GGEDRN C#C[C@@H](NC(=O)C1(c2ccc(-c3nn[nH]n3)cc2)CCCC1)c1ccc(F)cc1 ZINC001573279463 946641295 /nfs/dbraw/zinc/64/12/95/946641295.db2.gz HIVXGPGFRXEWSY-LJQANCHMSA-N 0 0 389.434 3.308 20 30 GGEDRN C#C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC001573279913 946650434 /nfs/dbraw/zinc/65/04/34/946650434.db2.gz LSGLFYKQTBFJPW-UGSOOPFHSA-N 0 0 378.411 3.083 20 30 GGEDRN C#C[C@@H](CC)NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC001573279995 946652278 /nfs/dbraw/zinc/65/22/78/946652278.db2.gz MLEKSJCJDSLTNU-IBGZPJMESA-N 0 0 392.438 3.129 20 30 GGEDRN C#C[C@@H](NC(=O)NCc1ccc(C)c(-c2nn[nH]n2)c1)c1ccc(Cl)cc1F ZINC001573280971 946670199 /nfs/dbraw/zinc/67/01/99/946670199.db2.gz UWPLVWMUBHQFSB-QGZVFWFLSA-N 0 0 398.829 3.141 20 30 GGEDRN C#C[C@@H]1CCCCN1C(=O)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC001573281547 946677032 /nfs/dbraw/zinc/67/70/32/946677032.db2.gz ZUQHZSNBVJRTHB-GOSISDBHSA-N 0 0 387.443 3.074 20 30 GGEDRN C#CCCCCn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CCC[C@H](C)C1 ZINC001573282452 946692304 /nfs/dbraw/zinc/69/23/04/946692304.db2.gz KOXZRGSVSIDTCN-INIZCTEOSA-N 0 0 390.495 3.165 20 30 GGEDRN C#CCN(CC)c1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CC(C)(C)C(C)C ZINC001573283142 946709819 /nfs/dbraw/zinc/70/98/19/946709819.db2.gz PODBTKZDZKTZEI-UHFFFAOYSA-N 0 0 392.511 3.267 20 30 GGEDRN C#CCCOc1ccc(C(=O)Oc2c(Cl)cc(-c3nn[nH]n3)cc2OC)cc1 ZINC001573283398 946714169 /nfs/dbraw/zinc/71/41/69/946714169.db2.gz RVBGMGLZCFIQLM-UHFFFAOYSA-N 0 0 398.806 3.150 20 30 GGEDRN C#CCCCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CC[C@H](C(C)C)C1 ZINC001573283842 946728419 /nfs/dbraw/zinc/72/84/19/946728419.db2.gz YRKWJGHOFDIYES-SFHVURJKSA-N 0 0 390.495 3.021 20 30 GGEDRN C[C@@H](NC(=O)c1ccc(C#N)[nH]1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824516997 946758079 /nfs/dbraw/zinc/75/80/79/946758079.db2.gz ZSOIIYBCHLFFCR-CYBMUJFWSA-N 0 0 383.415 3.224 20 30 GGEDRN C#CCOc1ccccc1NC(=O)N[C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC001573287494 946839140 /nfs/dbraw/zinc/83/91/40/946839140.db2.gz CILOBHNMOVOPPE-QGZVFWFLSA-N 0 0 388.431 3.078 20 30 GGEDRN C#CCOc1ccccc1NC(=O)NC(C)(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573288050 946856282 /nfs/dbraw/zinc/85/62/82/946856282.db2.gz HMTNZEXRWAKPTD-UHFFFAOYSA-N 0 0 390.447 3.022 20 30 GGEDRN C#CCOc1ccc(NC(=O)C2(c3ccc(-c4nn[nH]n4)cc3)CCCC2)cc1 ZINC001573290057 946898040 /nfs/dbraw/zinc/89/80/40/946898040.db2.gz UCGWDORZXJHWCT-UHFFFAOYSA-N 0 0 387.443 3.329 20 30 GGEDRN C#CCSCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[nH]n1 ZINC001573290542 946905468 /nfs/dbraw/zinc/90/54/68/946905468.db2.gz YUQFFUCDWVTMQS-UHFFFAOYSA-N 0 0 397.891 3.420 20 30 GGEDRN C=C(Br)CNC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[nH]n2)c1 ZINC001573291610 946921845 /nfs/dbraw/zinc/92/18/45/946921845.db2.gz GOGKGMKEZPGBGQ-UHFFFAOYSA-N 0 0 395.261 3.074 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nn[nH]n1 ZINC000824753627 946925991 /nfs/dbraw/zinc/92/59/91/946925991.db2.gz FYXBDXOTFCYHDJ-QLJPJBMISA-N 0 0 378.889 3.055 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001573293678 946964683 /nfs/dbraw/zinc/96/46/83/946964683.db2.gz FYPWTRSMJYRZMG-LSDHHAIUSA-N 0 0 378.484 3.184 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573293930 946971814 /nfs/dbraw/zinc/97/18/14/946971814.db2.gz OLEDUCMUIJLJFN-UHFFFAOYSA-N 0 0 380.427 3.294 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001573293944 946972792 /nfs/dbraw/zinc/97/27/92/946972792.db2.gz OUWJBPQOCAVSNT-HUUCEWRRSA-N 0 0 378.484 3.326 20 30 GGEDRN C=C(CNC(=O)Nc1ccc(-c2nn[nH]n2)c(Br)c1)c1ccccc1 ZINC001573294402 946987354 /nfs/dbraw/zinc/98/73/54/946987354.db2.gz FDHFEACTPQWDDR-UHFFFAOYSA-N 0 0 399.252 3.464 20 30 GGEDRN C=C(C)Cn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N(CC1CC1)C1CCC1 ZINC001573295918 947030249 /nfs/dbraw/zinc/03/02/49/947030249.db2.gz VSRAHZPOANYRHN-UHFFFAOYSA-N 0 0 390.495 3.470 20 30 GGEDRN C=C(Cl)Cn1c([C@H](C)CC)nnc1N(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573298162 947071824 /nfs/dbraw/zinc/07/18/24/947071824.db2.gz MZJQPYVADRZZAQ-GFCCVEGCSA-N 0 0 386.891 3.361 20 30 GGEDRN CCC(CC)CN(CCC#N)Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825106790 947075910 /nfs/dbraw/zinc/07/59/10/947075910.db2.gz IIKLCJZOECGODU-UHFFFAOYSA-N 0 0 392.511 3.419 20 30 GGEDRN C=C(Cl)Cn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CC=C(C)CC1 ZINC001573299402 947093565 /nfs/dbraw/zinc/09/35/65/947093565.db2.gz TWXDPKGPRSSYGR-UHFFFAOYSA-N 0 0 382.859 3.034 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(-c2nn[nH]n2)c(Br)c1F ZINC001573299667 947099253 /nfs/dbraw/zinc/09/92/53/947099253.db2.gz KUFGLHDQZOZHST-OTYXRUKQSA-N 0 0 382.237 3.161 20 30 GGEDRN C=C(Cl)Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N(C)Cc1ccco1 ZINC001573300557 947115324 /nfs/dbraw/zinc/11/53/24/947115324.db2.gz YXGNCMIRKMURJH-UHFFFAOYSA-N 0 0 396.842 3.107 20 30 GGEDRN C=CCC[C@@H](C(=O)N1CC(Nc2cccc(-c3nn[nH]n3)c2)C1)c1ccccc1 ZINC001573327791 947396822 /nfs/dbraw/zinc/39/68/22/947396822.db2.gz KWRJQOKMWSMKGW-HXUWFJFHSA-N 0 0 388.475 3.239 20 30 GGEDRN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nn[nH]n2)c1Br ZINC001573329559 947423076 /nfs/dbraw/zinc/42/30/76/947423076.db2.gz KYLGZNSYZFTHLI-FZMZJTMJSA-N 0 0 390.285 3.494 20 30 GGEDRN C=CCC[C@@H](CO)NC(=O)c1ccccc1Sc1ccccc1-c1nn[nH]n1 ZINC001573334549 947457623 /nfs/dbraw/zinc/45/76/23/947457623.db2.gz NRZZPMNGPZDYHY-AWEZNQCLSA-N 0 0 395.488 3.075 20 30 GGEDRN C=CCCC1(CNC(=O)NCc2ccc(-c3nn[nH]n3)c(OC)c2)CCCC1 ZINC001573335026 947470200 /nfs/dbraw/zinc/47/02/00/947470200.db2.gz VFPLACPIWNKYJD-UHFFFAOYSA-N 0 0 384.484 3.201 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(F)c(N(C)C)cc1F ZINC001573340942 947524901 /nfs/dbraw/zinc/52/49/01/947524901.db2.gz DUGIMWBCVYQGKQ-UHFFFAOYSA-N 0 0 384.434 3.399 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ocnc1-c1ccccc1 ZINC001573342425 947541150 /nfs/dbraw/zinc/54/11/50/947541150.db2.gz YBIYQEIRZLGGPV-UHFFFAOYSA-N 0 0 386.415 3.350 20 30 GGEDRN C=CCn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N(CC)C1CCCCC1 ZINC001573347186 947570916 /nfs/dbraw/zinc/57/09/16/947570916.db2.gz ATEOUCAJOUDTKQ-UHFFFAOYSA-N 0 0 378.484 3.470 20 30 GGEDRN C=CCc1cc(C(=O)Nc2cc(-c3nn[nH]n3)c(F)cc2C)cc(OC)c1OC ZINC001573347203 947571714 /nfs/dbraw/zinc/57/17/14/947571714.db2.gz AWORHEMDOYWDFN-UHFFFAOYSA-N 0 0 397.410 3.312 20 30 GGEDRN C=CCOc1ccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nn[nH]n2)cc1 ZINC001573347275 947572813 /nfs/dbraw/zinc/57/28/13/947572813.db2.gz BKFHEUHXWTWLRC-UHFFFAOYSA-N 0 0 383.839 3.290 20 30 GGEDRN C=CCn1c(Sc2ccnc(-c3nn[nH]n3)c2)nnc1-c1ccccc1C ZINC001573347598 947573532 /nfs/dbraw/zinc/57/35/32/947573532.db2.gz DQJQEQNGXAYYPF-UHFFFAOYSA-N 0 0 376.449 3.166 20 30 GGEDRN C=CCSCCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N(CC)C1CC1 ZINC001573347368 947574699 /nfs/dbraw/zinc/57/46/99/947574699.db2.gz CXUFQGOUDACUSJ-UHFFFAOYSA-N 0 0 396.524 3.033 20 30 GGEDRN C=CCn1c(CC2CCCC2)nnc1N(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573347600 947575061 /nfs/dbraw/zinc/57/50/61/947575061.db2.gz DTYZMHWGWKQVQN-UHFFFAOYSA-N 0 0 378.484 3.013 20 30 GGEDRN C=CCn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CCC(CC)(CC)C1 ZINC001573348402 947583329 /nfs/dbraw/zinc/58/33/29/947583329.db2.gz QFEAZCVFMOBQEH-UHFFFAOYSA-N 0 0 378.484 3.328 20 30 GGEDRN C=CCOc1ccc(C=CC(=O)Nc2cc(F)cc(-c3nn[nH]n3)c2)cc1OC ZINC001573348973 947589034 /nfs/dbraw/zinc/58/90/34/947589034.db2.gz XKOQQOIPUFLVSE-FNORWQNLSA-N 0 0 395.394 3.231 20 30 GGEDRN C=CCc1cc(C(=O)Nc2cc(F)cc(-c3nn[nH]n3)c2)cc(OC)c1OC ZINC001573348976 947589250 /nfs/dbraw/zinc/58/92/50/947589250.db2.gz XKRJWBFIFZTKID-UHFFFAOYSA-N 0 0 383.383 3.004 20 30 GGEDRN C=CCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001573348965 947590113 /nfs/dbraw/zinc/59/01/13/947590113.db2.gz XJDOYMFNSKZYFJ-YOEHRIQHSA-N 0 0 376.468 3.080 20 30 GGEDRN N#Cc1ccc(NC(=O)CC2CCC(C(F)(F)F)CC2)cc1-c1nn[nH]n1 ZINC000826385216 948187567 /nfs/dbraw/zinc/18/75/67/948187567.db2.gz BUQOCUQKESFOOX-UHFFFAOYSA-N 0 0 378.358 3.436 20 30 GGEDRN O=C(C=Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1cccc(-c2nn[nH]n2)c1 ZINC000826403655 948229220 /nfs/dbraw/zinc/22/92/20/948229220.db2.gz YMVDZYFAZDDXBX-DAXSKMNVSA-N 0 0 395.785 3.136 20 30 GGEDRN CC[C@]1(C(=O)[O-])CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC001589605210 949244221 /nfs/dbraw/zinc/24/42/21/949244221.db2.gz NCXVDKHJAUANMA-IBGZPJMESA-N 0 0 375.494 3.014 20 30 GGEDRN CC1(C#N)CN(C(=O)Nc2ccc(Oc3ccccc3)c(-c3nn[nH]n3)c2)C1 ZINC001575523989 949306728 /nfs/dbraw/zinc/30/67/28/949306728.db2.gz FYEZQUYPMIILDQ-UHFFFAOYSA-N 0 0 375.392 3.036 20 30 GGEDRN CC(C)(C)C1CCC(C#N)(NC(=O)c2cc(F)c(-c3nn[nH]n3)c(F)c2)CC1 ZINC001573825237 949867960 /nfs/dbraw/zinc/86/79/60/949867960.db2.gz OCZFZXFSEXXHEF-UHFFFAOYSA-N 0 0 388.422 3.373 20 30 GGEDRN CC[NH+](CC)[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589722965 950434489 /nfs/dbraw/zinc/43/44/89/950434489.db2.gz KTNDTRDWCVIAAA-MAUKXSAKSA-N 0 0 399.413 3.209 20 30 GGEDRN CC(C)(C)Oc1ccc(NC(=O)c2ccc(C#N)c(Cl)n2)cc1-c1nn[nH]n1 ZINC001573876024 950657912 /nfs/dbraw/zinc/65/79/12/950657912.db2.gz BPIQPDZFZZIVAI-UHFFFAOYSA-N 0 0 397.826 3.216 20 30 GGEDRN CC(C)(C)Oc1ccc(NC(=O)NCc2ccc(-c3nn[nH]n3)s2)cc1C#N ZINC001573876114 950663052 /nfs/dbraw/zinc/66/30/52/950663052.db2.gz DKRCJFNTEDAFKI-UHFFFAOYSA-N 0 0 397.464 3.299 20 30 GGEDRN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589300001 953686336 /nfs/dbraw/zinc/68/63/36/953686336.db2.gz QIHSAOSOAAOCSC-YXAKOPBCSA-N 0 0 397.519 3.106 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](CC(=O)[O-])C3CCC3)sc2C1 ZINC001589362955 954164666 /nfs/dbraw/zinc/16/46/66/954164666.db2.gz BJPRTSWGMQTGIF-GFCCVEGCSA-N 0 0 375.494 3.012 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@H](C(=O)[O-])c3ccccc3)sc2C1 ZINC001589364366 954177160 /nfs/dbraw/zinc/17/71/60/954177160.db2.gz RHDBPRGQAZEXIR-YJYMSZOUSA-N 0 0 397.500 3.489 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC[C@H]3C(=O)[O-])sc2C1 ZINC001589364968 954182709 /nfs/dbraw/zinc/18/27/09/954182709.db2.gz ZNKNXSZVMZPPQB-DOMZBBRYSA-N 0 0 375.494 3.012 20 30 GGEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+]C2(C(=O)[O-])CCCCC2)c1C#N ZINC000832849306 955553503 /nfs/dbraw/zinc/55/35/03/955553503.db2.gz CADZKRQOGMFIIK-UHFFFAOYSA-N 0 0 394.475 3.281 20 30 GGEDRN N#Cc1cc2c(n(Cc3cccc(C(=O)[O-])c3)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC001594617688 956253224 /nfs/dbraw/zinc/25/32/24/956253224.db2.gz SWSRHKCCQXMQPP-UHFFFAOYSA-N 0 0 399.450 3.025 20 30 GGEDRN COCCN(Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)Cc1ccc(C#N)cc1 ZINC001594012820 957011498 /nfs/dbraw/zinc/01/14/98/957011498.db2.gz YJCHSYQOSPULJV-LJQANCHMSA-N 0 0 397.475 3.101 20 30 GGEDRN C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[C@@H](C(=O)[O-])C2)cc1OC ZINC001573336604 958519641 /nfs/dbraw/zinc/51/96/41/958519641.db2.gz DMNXEGYOUFKTKI-OLZOCXBDSA-N 0 0 384.270 3.365 20 30 GGEDRN C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001588541368 958961586 /nfs/dbraw/zinc/96/15/86/958961586.db2.gz AJWDHUHAQNYMSV-LJQANCHMSA-N 0 0 375.494 3.208 20 30 GGEDRN CC[C@H](C)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(=O)[O-] ZINC001573943447 961625912 /nfs/dbraw/zinc/62/59/12/961625912.db2.gz VVKPYSBSRIJHHA-PEBVRCNWSA-N 0 0 377.510 3.162 20 30 GGEDRN N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3ccccc3C(=O)[O-])CC2)cc1 ZINC001574488576 961697500 /nfs/dbraw/zinc/69/75/00/961697500.db2.gz SIOODHKBPBDRQH-UHFFFAOYSA-N 0 0 377.444 3.465 20 30 GGEDRN C=CC[NH+](CC=C)[C@H](CNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C(C)C ZINC001341354030 962131622 /nfs/dbraw/zinc/13/16/22/962131622.db2.gz OEXZGXJOPYYESP-VQTJNVASSA-N 0 0 385.508 3.079 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](Cc1ccccc1)C(=O)[O-] ZINC001588989316 962796638 /nfs/dbraw/zinc/79/66/38/962796638.db2.gz DLYYUIFDRALWOU-QAPCUYQASA-N 0 0 397.500 3.305 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](Cc1ccccc1)C(=O)[O-] ZINC001588989314 962796860 /nfs/dbraw/zinc/79/68/60/962796860.db2.gz DLYYUIFDRALWOU-CRAIPNDOSA-N 0 0 397.500 3.305 20 30 GGEDRN C=CC[C@@H](C(=O)[O-])[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001573351634 962979888 /nfs/dbraw/zinc/97/98/88/962979888.db2.gz WBYAAHHZGRZWLI-HNNXBMFYSA-N 0 0 381.270 3.129 20 30 GGEDRN C=CC[C@H](C(=O)[O-])[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC001573351978 962982836 /nfs/dbraw/zinc/98/28/36/962982836.db2.gz ZJZAOYYVMHERIY-OAHLLOKOSA-N 0 0 381.270 3.129 20 30 GGEDRN N#Cc1cccc(C[NH+]2CCC(NC(=O)C3(C(=O)[O-])CCCCCC3)CC2)c1 ZINC000595999065 968504551 /nfs/dbraw/zinc/50/45/51/968504551.db2.gz IZFDJOBQCVASIJ-UHFFFAOYSA-N 0 0 383.492 3.064 20 30 GGEDRN Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)ccc1Cl ZINC001605187444 972905953 /nfs/dbraw/zinc/90/59/53/972905953.db2.gz XZSTUIPTBLJHKB-HNNXBMFYSA-N 0 0 377.872 3.082 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@]3(C)C(=O)[O-])sc2C1 ZINC001603434250 973197455 /nfs/dbraw/zinc/19/74/55/973197455.db2.gz OLUABVSRBWDCMR-CWTRNNRKSA-N 0 0 375.494 3.012 20 30 GGEDRN N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3ccccc3C(=O)[O-])CC2)cc1 ZINC001605601216 973902454 /nfs/dbraw/zinc/90/24/54/973902454.db2.gz BCZCEOAXKAVXPO-LJQANCHMSA-N 0 0 394.471 3.070 20 30 GGEDRN C[C@@](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)(C(=O)[O-])c1ccccc1 ZINC000593332347 974982138 /nfs/dbraw/zinc/98/21/38/974982138.db2.gz LSBTYBMATWLFBI-QHCPKHFHSA-N 0 0 377.488 3.155 20 30 GGEDRN CC(C)c1[nH]c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1C(=O)[O-] ZINC001591912313 976341602 /nfs/dbraw/zinc/34/16/02/976341602.db2.gz JTRIGOWDGIMWEM-UHFFFAOYSA-N 0 0 380.492 3.416 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C(=O)[O-] ZINC001592225625 977410435 /nfs/dbraw/zinc/41/04/35/977410435.db2.gz FNHNRTXCAMGCRI-ZNMIVQPWSA-N 0 0 375.494 3.252 20 30 GGEDRN C[C@H](C[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1CC1)C(=O)[O-] ZINC001592226477 977419366 /nfs/dbraw/zinc/41/93/66/977419366.db2.gz ZENIQNLHKUPVIT-KGLIPLIRSA-N 0 0 375.494 3.204 20 30 GGEDRN C[C@](CC(=O)[O-])([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1cccnc1 ZINC001592319787 977712356 /nfs/dbraw/zinc/71/23/56/977712356.db2.gz DATGEAPOKACARU-GOSISDBHSA-N 0 0 378.350 3.311 20 30 GGEDRN C[C@](CC(=O)[O-])([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC001592323719 977738016 /nfs/dbraw/zinc/73/80/16/977738016.db2.gz WWBJUYXKFWIMNM-LJQANCHMSA-N 0 0 375.494 3.060 20 30 GGEDRN C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C(=O)[O-])cc1Br ZINC001592458830 978175049 /nfs/dbraw/zinc/17/50/49/978175049.db2.gz GEXLYMRMSNJGQI-LBPRGKRZSA-N 0 0 381.270 3.336 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC ZINC000736848772 978361690 /nfs/dbraw/zinc/36/16/90/978361690.db2.gz NDODABBBOIURAN-FXAWDEMLSA-N 0 0 379.416 3.163 20 30 GGEDRN CCc1nc(CN2CCC(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cs1 ZINC000737280730 978393873 /nfs/dbraw/zinc/39/38/73/978393873.db2.gz URFGIJAOXWORSI-FQEVSTJZSA-N 0 0 398.532 3.205 20 30 GGEDRN CN(C)c1ccc(N2CCC([NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1 ZINC000830639912 979020384 /nfs/dbraw/zinc/02/03/84/979020384.db2.gz UFGGHWLMEKSZBL-NRFANRHFSA-N 0 0 378.476 3.009 20 30 GGEDRN CN(C)c1ccc(N2CCC([NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1 ZINC000830639915 979020458 /nfs/dbraw/zinc/02/04/58/979020458.db2.gz UFGGHWLMEKSZBL-OAQYLSRUSA-N 0 0 378.476 3.009 20 30 GGEDRN Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)c(OC[C@@H]2CCOC2)c1 ZINC000832935113 979057207 /nfs/dbraw/zinc/05/72/07/979057207.db2.gz VGGLSQVGALSRAO-DYESRHJHSA-N 0 0 380.444 3.198 20 30 GGEDRN Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC[C@@H]2CCOC2)c1 ZINC000832935310 979057696 /nfs/dbraw/zinc/05/76/96/979057696.db2.gz ZNMWLLGENPGXGE-UTKZUKDTSA-N 0 0 380.444 3.198 20 30 GGEDRN C#CCOc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])cc1 ZINC000833366886 979171308 /nfs/dbraw/zinc/17/13/08/979171308.db2.gz KWWGMPDKZMCFGQ-HXUWFJFHSA-N 0 0 395.455 3.290 20 30 GGEDRN C=CCOc1c(Br)cc(C[NH2+][C@H]2CC=C(C(=O)[O-])C2)cc1OC ZINC000853035450 979594738 /nfs/dbraw/zinc/59/47/38/979594738.db2.gz UPZJJOAKERADCV-ZDUSSCGKSA-N 0 0 382.254 3.286 20 30 GGEDRN C[C@@](Cc1ccc(Cl)cc1)([NH2+]CCC(=O)Nc1ccccc1C#N)C(=O)[O-] ZINC001592840775 979609682 /nfs/dbraw/zinc/60/96/82/979609682.db2.gz RUBYCMPSAUXWNC-FQEVSTJZSA-N 0 0 385.851 3.216 20 30 GGEDRN C=CCOC[C@@H]([NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000901808588 980530067 /nfs/dbraw/zinc/53/00/67/980530067.db2.gz HLLMEFIJCAZKSX-GFCCVEGCSA-N 0 0 382.176 3.213 20 30 GGEDRN CCCC[C@@H](C(=O)[O-])[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC001595628045 981780651 /nfs/dbraw/zinc/78/06/51/981780651.db2.gz HWAXKCSVBIHJKE-DLBZAZTESA-N 0 0 394.313 3.275 20 30 GGEDRN C=CCCC[C@H](NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000910916467 982163436 /nfs/dbraw/zinc/16/34/36/982163436.db2.gz WBMUIYGOYBWTBH-LPHOPBHVSA-N 0 0 398.425 3.367 20 30 GGEDRN CC[C@@H](C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CC(=O)[O-] ZINC001594984003 982792850 /nfs/dbraw/zinc/79/28/50/982792850.db2.gz YDHOXPOZCXZNBP-CHWSQXEVSA-N 0 0 377.510 3.258 20 30 GGEDRN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595885800 982909951 /nfs/dbraw/zinc/90/99/51/982909951.db2.gz HETMLSAMLDTXIZ-UHFFFAOYSA-N 0 0 383.404 3.342 20 30 GGEDRN C#C[C@@H]([NH2+]Cc1ccccc1OCc1ccc(C(=O)[O-])cc1)C1CCOCC1 ZINC001588377981 983359957 /nfs/dbraw/zinc/35/99/57/983359957.db2.gz SZZDQNAMPPNLIZ-OAQYLSRUSA-N 0 0 379.456 3.482 20 30 GGEDRN C#CC[C@@H]([NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1)C(=O)[O-] ZINC001588421941 983443666 /nfs/dbraw/zinc/44/36/66/983443666.db2.gz QJFLBFSSMAEMDK-YVEFUNNKSA-N 0 0 376.250 3.436 20 30 GGEDRN C#CC[C@H]1CCC[N@@H+](Cn2ncc3c2ccc(Br)c3C(=O)[O-])C1 ZINC001588434624 983471448 /nfs/dbraw/zinc/47/14/48/983471448.db2.gz OVVMBWPSJMNAPD-LBPRGKRZSA-N 0 0 376.254 3.190 20 30 GGEDRN C#CC[N@H+](C)CCCNc1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC001588463650 983491700 /nfs/dbraw/zinc/49/17/00/983491700.db2.gz HQQMEHZOGWIKDD-UHFFFAOYSA-N 0 0 376.254 3.063 20 30 GGEDRN C#CC[NH+]1CCC(C(=O)N[C@@H](CC(=O)[O-])c2ccc(-c3ccccc3)cc2)CC1 ZINC001588471729 983507661 /nfs/dbraw/zinc/50/76/61/983507661.db2.gz YREMGJQHEDAJIZ-QFIPXVFZSA-N 0 0 390.483 3.331 20 30 GGEDRN C#CCN1CCC[C@H]([NH2+]Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1 ZINC001588477206 983514915 /nfs/dbraw/zinc/51/49/15/983514915.db2.gz WJIBUDGTBDUSCN-NRFANRHFSA-N 0 0 378.472 3.151 20 30 GGEDRN C#CCN1CCC[C@@H]([NH2+]Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1 ZINC001588477208 983514936 /nfs/dbraw/zinc/51/49/36/983514936.db2.gz WJIBUDGTBDUSCN-OAQYLSRUSA-N 0 0 378.472 3.151 20 30 GGEDRN C#Cc1ccc(NC(=O)CC[NH2+][C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)cc1 ZINC001588516802 983562203 /nfs/dbraw/zinc/56/22/03/983562203.db2.gz CDFILJXIJUVVQI-IBGZPJMESA-N 0 0 386.835 3.074 20 30 GGEDRN C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)cc1 ZINC001588516904 983563131 /nfs/dbraw/zinc/56/31/31/983563131.db2.gz HLRYXAPKWGKKNX-INIZCTEOSA-N 0 0 383.473 3.297 20 30 GGEDRN CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC001596260101 983673117 /nfs/dbraw/zinc/67/31/17/983673117.db2.gz ITLJOHQYLKZHDV-HXUWFJFHSA-N 0 0 380.448 3.076 20 30 GGEDRN C=C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001588670067 983817080 /nfs/dbraw/zinc/81/70/80/983817080.db2.gz VETGHELBCDPCEP-GVDBMIGSSA-N 0 0 378.444 3.148 20 30 GGEDRN C=C[C@H](Sc1nc2ccccc2c(=O)n1CC[NH+](C(C)C)C(C)C)C(=O)[O-] ZINC001588714213 983950768 /nfs/dbraw/zinc/95/07/68/983950768.db2.gz BXFCSTSSYXZVKD-KRWDZBQOSA-N 0 0 389.521 3.247 20 30 GGEDRN CC[N@@H+]1CC[C@H]1CNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001596415234 984019723 /nfs/dbraw/zinc/01/97/23/984019723.db2.gz HZEHSQBPLOVSOC-FQEVSTJZSA-N 0 0 377.444 3.000 20 30 GGEDRN C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)C(C)C ZINC001588826754 984306302 /nfs/dbraw/zinc/30/63/02/984306302.db2.gz VDIHMTIXOUELGT-HXUWFJFHSA-N 0 0 385.508 3.151 20 30 GGEDRN CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1)c1ccccc1 ZINC001589020861 985009362 /nfs/dbraw/zinc/00/93/62/985009362.db2.gz GJVQOGNDTPKBTF-FOIQADDNSA-N 0 0 383.473 3.071 20 30 GGEDRN CCO[C@H]1C[C@]([NH2+]Cc2cc(C#N)ccc2Br)(C(=O)[O-])C1(C)C ZINC001596838462 985507475 /nfs/dbraw/zinc/50/74/75/985507475.db2.gz OBUMTOKMYCFINA-YOEHRIQHSA-N 0 0 381.270 3.069 20 30 GGEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](CC(=O)[O-])C(C)(C)C)c1C#N ZINC001599972922 986039256 /nfs/dbraw/zinc/03/92/56/986039256.db2.gz CCONTNLVQRCGMX-SFHVURJKSA-N 0 0 396.491 3.383 20 30 GGEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+]C2(CC(=O)[O-])CCCC2)c1C#N ZINC001599973128 986042979 /nfs/dbraw/zinc/04/29/79/986042979.db2.gz JFOGTLMOGSEWKI-UHFFFAOYSA-N 0 0 386.496 3.407 20 30 GGEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@H]2C[C@@H](C(=O)[O-])C2)c1C#N ZINC001599974318 986063702 /nfs/dbraw/zinc/06/37/02/986063702.db2.gz PIGVYGJRZXBPLI-WOVMCDHWSA-N 0 0 386.496 3.215 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC001589331470 986186221 /nfs/dbraw/zinc/18/62/21/986186221.db2.gz FPTYEUKNMXKVSJ-KBPBESRZSA-N 0 0 375.494 3.062 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC001589331532 986187602 /nfs/dbraw/zinc/18/76/02/986187602.db2.gz HNUCHCBDLJWHLH-GJRWTSMGSA-N 0 0 387.505 3.062 20 30 GGEDRN CCc1cccc[n+]1C(C(=O)c1cc(C(=O)[O-])co1)C(=S)NCC1CCC1 ZINC001597603600 988469719 /nfs/dbraw/zinc/46/97/19/988469719.db2.gz KCFHGQKRQPXOPF-UHFFFAOYSA-O 0 0 387.481 3.156 20 30 GGEDRN CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](CCCCC1(C#N)CCC1)C[C@@H]2C(=O)[O-] ZINC001589948026 988739065 /nfs/dbraw/zinc/73/90/65/988739065.db2.gz JLRRZNWQTBAIBE-MRXNPFEDSA-N 0 0 391.512 3.104 20 30 GGEDRN CC(C)(C)OC(=O)N1CC2(C1)CC[NH+]([C@H](C(=O)[O-])c1ccc(C#N)cc1)CC2 ZINC001589948323 988740050 /nfs/dbraw/zinc/74/00/50/988740050.db2.gz LMHBVRPYNBEMST-KRWDZBQOSA-N 0 0 385.464 3.017 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+]([C@@H](C(=O)[O-])c1cccc(C#N)c1)CC2 ZINC001590004089 988938329 /nfs/dbraw/zinc/93/83/29/988938329.db2.gz ODOMGQNINXYALD-GOSISDBHSA-N 0 0 399.491 3.407 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H](C(=O)[O-])C1 ZINC001590034758 989050309 /nfs/dbraw/zinc/05/03/09/989050309.db2.gz LSQGBBHFBPSZQG-SFHVURJKSA-N 0 0 399.491 3.138 20 30 GGEDRN C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001599864377 989219608 /nfs/dbraw/zinc/21/96/08/989219608.db2.gz AMGQUPMDQFPRAK-OLMNPRSZSA-N 0 0 387.480 3.167 20 30 GGEDRN C[C@@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2C#N)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001599866400 989269173 /nfs/dbraw/zinc/26/91/73/989269173.db2.gz LLKTZTJILLQBOX-HUUCEWRRSA-N 0 0 387.480 3.239 20 30 GGEDRN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC001590139963 989406499 /nfs/dbraw/zinc/40/64/99/989406499.db2.gz QOWRRRUUGXIGCN-LEUOFYLZSA-N 0 0 385.464 3.062 20 30 GGEDRN C[C@@]12CN(Cc3ccccc3)C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001599884681 989535835 /nfs/dbraw/zinc/53/58/35/989535835.db2.gz BIPFPCLRYCQUFP-XPNTWCBSSA-N 0 0 375.472 3.138 20 30 GGEDRN C[NH+](C)[C@H](CNc1ccc(C(=O)[O-])nc1C#N)c1cccc(C(F)(F)F)c1 ZINC001598175731 990725230 /nfs/dbraw/zinc/72/52/30/990725230.db2.gz HGCREYHCVWTHEB-MRXNPFEDSA-N 0 0 378.354 3.385 20 30 GGEDRN C[NH+](C)C1CCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC1 ZINC001598191619 990783385 /nfs/dbraw/zinc/78/33/85/990783385.db2.gz LILQCLSVIUOIOJ-UHFFFAOYSA-N 0 0 391.471 3.343 20 30 GGEDRN COc1ccccc1[C@H](CNc1ccc(C(=O)[O-])nc1C#N)[NH+]1CCCCC1 ZINC001599697637 991171645 /nfs/dbraw/zinc/17/16/45/991171645.db2.gz HHWFLLFQQJZPGP-IBGZPJMESA-N 0 0 380.448 3.299 20 30 GGEDRN COc1ccccc1NC(=O)[C@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001599715152 991440764 /nfs/dbraw/zinc/44/07/64/991440764.db2.gz LWJUXZFQEABTNA-FXAWDEMLSA-N 0 0 393.443 3.043 20 30 GGEDRN COc1ccccc1NC(=O)[C@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001599715156 991441124 /nfs/dbraw/zinc/44/11/24/991441124.db2.gz LWJUXZFQEABTNA-PXNSSMCTSA-N 0 0 393.443 3.043 20 30 GGEDRN COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001599715797 991451855 /nfs/dbraw/zinc/45/18/55/991451855.db2.gz VOMLXNVXKQYIEG-XLIONFOSSA-N 0 0 393.443 3.043 20 30 GGEDRN COc1ccccc1NC(=O)[C@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001599715792 991451978 /nfs/dbraw/zinc/45/19/78/991451978.db2.gz VOMLXNVXKQYIEG-FXAWDEMLSA-N 0 0 393.443 3.043 20 30 GGEDRN CC(C)C[C@H](C(=O)[O-])[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC001591123122 991802449 /nfs/dbraw/zinc/80/24/49/991802449.db2.gz MYODOESYFIPUQK-IAGOWNOFSA-N 0 0 394.313 3.131 20 30 GGEDRN C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598437022 991837491 /nfs/dbraw/zinc/83/74/91/991837491.db2.gz LYLFMEVLAASUSY-DLBZAZTESA-N 0 0 389.249 3.112 20 30 GGEDRN C[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC001598446874 991883359 /nfs/dbraw/zinc/88/33/59/991883359.db2.gz MEFQGEQHGTYXEQ-KRWDZBQOSA-N 0 0 386.411 3.054 20 30 GGEDRN C[C@@H]([NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001593188881 994105310 /nfs/dbraw/zinc/10/53/10/994105310.db2.gz BWIYZSHBEZICKS-SPLOXXLWSA-N 0 0 397.450 3.135 20 30 GGEDRN C[C@@H]([NH2+][C@@H](CC(=O)[O-])C1CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001593204133 994196962 /nfs/dbraw/zinc/19/69/62/994196962.db2.gz MOBILKBUUFQXBB-ABAIWWIYSA-N 0 0 375.494 3.059 20 30 GGEDRN C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccccc1OCC(=O)[O-] ZINC001593233717 994394115 /nfs/dbraw/zinc/39/41/15/994394115.db2.gz SSSUJVDXRFZPKQ-MRXNPFEDSA-N 0 0 379.460 3.341 20 30 GGEDRN COc1cccc([C@H](C(=O)[O-])[N@H+](C)CC[C@@](C#N)(C(C)=O)c2ccccc2)c1 ZINC001599646740 994436070 /nfs/dbraw/zinc/43/60/70/994436070.db2.gz FMHYXICTGAGPSD-IFMALSPDSA-N 0 0 380.444 3.193 20 30 GGEDRN C[C@]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)(C(=O)[O-])c1ccccc1 ZINC001593261069 994547830 /nfs/dbraw/zinc/54/78/30/994547830.db2.gz JTAUZEZDYAFFKN-OAQYLSRUSA-N 0 0 397.500 3.417 20 30 GGEDRN C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccc(OCC(=O)[O-])cc1 ZINC001593292224 994676236 /nfs/dbraw/zinc/67/62/36/994676236.db2.gz JFVPQGZJPLTXFH-LBPRGKRZSA-N 0 0 376.359 3.474 20 30 GGEDRN C[C@H]([NH2+][C@H]1CCCCC[C@H]1C(=O)[O-])C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001593354190 994988153 /nfs/dbraw/zinc/98/81/53/994988153.db2.gz KIBYASQULMFPIE-LNSITVRQSA-N 0 0 375.494 3.059 20 30 GGEDRN C[C@@H](Oc1ccccc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001593644803 995966164 /nfs/dbraw/zinc/96/61/64/995966164.db2.gz DENHURVKZCZYLC-GOSISDBHSA-N 0 0 393.487 3.118 20 30 GGEDRN CC1(C)CCC[C@]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)(C(=O)[O-])C1 ZINC001593896445 996753845 /nfs/dbraw/zinc/75/38/45/996753845.db2.gz XQQOCOZTIRMTPY-OYHNWAKOSA-N 0 0 392.459 3.237 20 30 GGEDRN COC[C@@H]([NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC001599174709 996820590 /nfs/dbraw/zinc/82/05/90/996820590.db2.gz XXUVPDUBUVICED-IAGOWNOFSA-N 0 0 389.249 3.424 20 30 GGEDRN CO[C@@H]1CCC[C@H]([C@@H]([NH2+]Cc2ccc(C#N)cc2Br)C(=O)[O-])C1 ZINC001599107316 997503099 /nfs/dbraw/zinc/50/30/99/997503099.db2.gz DHKXXGLLLRXJFX-JGGQBBKZSA-N 0 0 381.270 3.069 20 30 GGEDRN COc1cc(C[NH2+][C@@](C)(CCF)C(=O)[O-])ccc1OCc1cccc(C#N)c1 ZINC001599416002 997511685 /nfs/dbraw/zinc/51/16/85/997511685.db2.gz KGNXLPSYTJVTDW-NRFANRHFSA-N 0 0 386.423 3.438 20 30 GGEDRN COc1ccc([C@H](O)C2CC[NH+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC001599531673 997665854 /nfs/dbraw/zinc/66/58/54/997665854.db2.gz JHJGGEXMMXLVOC-RTWAWAEBSA-N 0 0 380.444 3.138 20 30 GGEDRN CO[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@](C)(C(=O)[O-])C1 ZINC001599130723 997938102 /nfs/dbraw/zinc/93/81/02/997938102.db2.gz LISYEYUTUNCOLL-UNMCSNQZSA-N 0 0 378.472 3.450 20 30 GGEDRN COCC[N@H+](CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccc(C#N)cc1 ZINC001599237202 997967108 /nfs/dbraw/zinc/96/71/08/997967108.db2.gz OPOXAHAVNMZBTL-UHFFFAOYSA-N 0 0 388.851 3.437 20 30 GGEDRN COc1cc(C#N)ccc1OCC[NH2+][C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001599350373 998081960 /nfs/dbraw/zinc/08/19/60/998081960.db2.gz NZPIMMLZRORQQW-OYHNWAKOSA-N 0 0 380.444 3.413 20 30 GGEDRN COc1cc(OC)cc(OCCC[N@H+](C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC001599453592 998149182 /nfs/dbraw/zinc/14/91/82/998149182.db2.gz MHFGFOMKEXUNKH-FQEVSTJZSA-N 0 0 384.432 3.102 20 30 GGEDRN COC(=O)c1cccc([C@H](C(=O)[O-])[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC001598997558 998793645 /nfs/dbraw/zinc/79/36/45/998793645.db2.gz UFKKKMUBDQQSGV-HXUWFJFHSA-N 0 0 394.427 3.014 20 30 GGEDRN C[C@@H]1C[C@H]1c1noc(CC2CC[NH+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)n1 ZINC001594287656 999113064 /nfs/dbraw/zinc/11/30/64/999113064.db2.gz YLISCGHKEKDILJ-OMWUSAIZSA-N 0 0 380.448 3.145 20 30 GGEDRN C[C@H]([NH2+][C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001594291073 999121675 /nfs/dbraw/zinc/12/16/75/999121675.db2.gz DNNLAZNIRRXDFS-ZXZHMKSKSA-N 0 0 399.535 3.227 20 30 GGEDRN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001594292507 999128189 /nfs/dbraw/zinc/12/81/89/999128189.db2.gz QIHSAOSOAAOCSC-NVDOGXPFSA-N 0 0 397.519 3.106 20 30 GGEDRN CC1CC[NH+](CC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC1 ZINC001594415149 999553352 /nfs/dbraw/zinc/55/33/52/999553352.db2.gz WROZBGBRFBTDKY-UHFFFAOYSA-N 0 0 376.456 3.455 20 30 GGEDRN CC(C)[N@H+](CCC(=O)[O-])CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC001594441627 999627448 /nfs/dbraw/zinc/62/74/48/999627448.db2.gz GSLPGROEJQJXAR-ZDUSSCGKSA-N 0 0 377.510 3.258 20 30 GGEDRN C=CCOc1ccc(C[NH2+][C@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])cc1Cl ZINC000277172098 1126078389 /nfs/dbraw/zinc/07/83/89/1126078389.db2.gz DUKKBOQRZWHPMO-MRXNPFEDSA-N 0 0 389.835 3.419 20 30 GGEDRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000277259896 1126078558 /nfs/dbraw/zinc/07/85/58/1126078558.db2.gz KPOAQXPHWCGSRN-LLVKDONJSA-N 0 0 399.266 3.303 20 30 GGEDRN C=CCOc1cccc(C[NH2+][C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])c1 ZINC000426721953 1126082445 /nfs/dbraw/zinc/08/24/45/1126082445.db2.gz FHLNJJUSTKEPGS-HXUWFJFHSA-N 0 0 395.415 3.426 20 30 GGEDRN C=CCOc1c(Cl)cc(C[NH2+][C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1OC ZINC000630450841 1126101025 /nfs/dbraw/zinc/10/10/25/1126101025.db2.gz GFTZSRABAXVSNX-KRWDZBQOSA-N 0 0 391.851 3.405 20 30 GGEDRN N#Cc1cccc(C[NH2+][C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])c1F ZINC001601122972 1126222089 /nfs/dbraw/zinc/22/20/89/1126222089.db2.gz KWHCNIQZXPACPQ-HNNXBMFYSA-N 0 0 382.313 3.381 20 30 GGEDRN N#Cc1ccc(C[NH2+][C@@H](Cc2ccccc2Br)C(=O)[O-])cc1F ZINC001608207150 1126236049 /nfs/dbraw/zinc/23/60/49/1126236049.db2.gz CGGGSCOODBVEQV-INIZCTEOSA-N 0 0 377.213 3.245 20 30 GGEDRN Cc1[nH]nc(NC(=O)c2cc(I)cc(C)c2C)c1C#N ZINC000508753895 532765248 /nfs/dbraw/zinc/76/52/48/532765248.db2.gz OVLFQLNVGKOGGV-UHFFFAOYSA-N 0 0 380.189 3.064 20 30 GGEDRN C=CCn1c(=O)c2ccccc2nc1SCc1nc2ccccc2c(=O)[nH]1 ZINC000008686358 203773399 /nfs/dbraw/zinc/77/33/99/203773399.db2.gz AGZFNWUDPUJHLU-UHFFFAOYSA-N 0 0 376.441 3.111 20 30 GGEDRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000007265515 203781547 /nfs/dbraw/zinc/78/15/47/203781547.db2.gz IBTSLPKKTUTZHL-OAHLLOKOSA-N 0 0 383.473 3.374 20 30 GGEDRN C[C@@H](C(=O)Nc1cccc(C#Cc2ccccc2)c1)S(=O)(=O)C1CCOCC1 ZINC000089573810 203830750 /nfs/dbraw/zinc/83/07/50/203830750.db2.gz NJAQFTGZPWJUHO-KRWDZBQOSA-N 0 0 397.496 3.007 20 30 GGEDRN CCOC(=O)c1sc(NC(=O)COc2ccccc2[N+](=O)[O-])c(C#N)c1C ZINC000001965106 203923595 /nfs/dbraw/zinc/92/35/95/203923595.db2.gz PAEPSKKHDHSQTK-UHFFFAOYSA-N 0 0 389.389 3.031 20 30 GGEDRN N#Cc1cccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 ZINC000003221841 203990679 /nfs/dbraw/zinc/99/06/79/203990679.db2.gz KQYPSHGULGRFFL-NRFANRHFSA-N 0 0 395.418 3.404 20 30 GGEDRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3sccc3C#N)cc2)C1 ZINC000004330582 204039172 /nfs/dbraw/zinc/03/91/72/204039172.db2.gz BTKPJKXKADAOLO-CYBMUJFWSA-N 0 0 389.502 3.293 20 30 GGEDRN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)COc1ccc(C#N)cc1 ZINC000003320117 203997951 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C=CCNc1nnc(S[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)s1 ZINC000022346974 564316033 /nfs/dbraw/zinc/31/60/33/564316033.db2.gz HIGCGFLUFHGDNG-AAEUAGOBSA-N 0 0 376.507 3.257 20 30 GGEDRN C=CCNc1nnc(S[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)s1 ZINC000022346970 564316405 /nfs/dbraw/zinc/31/64/05/564316405.db2.gz HIGCGFLUFHGDNG-YPMHNXCESA-N 0 0 376.507 3.257 20 30 GGEDRN C=CCN(CC1CCCCC1)S(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000120428761 564319576 /nfs/dbraw/zinc/31/95/76/564319576.db2.gz YYCWVPNZIVYUIX-UHFFFAOYSA-N 0 0 385.551 3.237 20 30 GGEDRN COc1ccc(C(=O)NCc2cccc(C#N)c2)c(I)c1 ZINC000120423276 564319772 /nfs/dbraw/zinc/31/97/72/564319772.db2.gz LJUDAALEYLCUAW-UHFFFAOYSA-N 0 0 392.196 3.101 20 30 GGEDRN C=C(C)CN1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000022791558 564320017 /nfs/dbraw/zinc/32/00/17/564320017.db2.gz GQPDCCBNGVWJLB-UHFFFAOYSA-N 0 0 375.822 3.491 20 30 GGEDRN CN(Cc1nc2ccccc2s1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000120513003 564323508 /nfs/dbraw/zinc/32/35/08/564323508.db2.gz SGRKIHNKIXRSPO-UHFFFAOYSA-N 0 0 375.450 3.269 20 30 GGEDRN CN(CCOc1cccc(Cl)c1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000120542920 564325194 /nfs/dbraw/zinc/32/51/94/564325194.db2.gz UDCFBFMTODYRJV-UHFFFAOYSA-N 0 0 382.844 3.191 20 30 GGEDRN C=CCn1c(C)cc(C(=O)Cn2cc(Br)c(OC)cc2=O)c1C ZINC000120588222 564327797 /nfs/dbraw/zinc/32/77/97/564327797.db2.gz SWBJOXQNUNIBKA-UHFFFAOYSA-N 0 0 379.254 3.107 20 30 GGEDRN C=C(C)CN(CC)C(=O)CS(=O)(=O)Cc1nc(-c2cccs2)oc1C ZINC000120599455 564327937 /nfs/dbraw/zinc/32/79/37/564327937.db2.gz BECKLMWKRUOWPQ-UHFFFAOYSA-N 0 0 382.507 3.051 20 30 GGEDRN C[C@@H](CC#N)N(C)C(=O)Nc1cc(F)c(F)cc1I ZINC000120613756 564328650 /nfs/dbraw/zinc/32/86/50/564328650.db2.gz ZBQGYYZKUUUJJH-ZETCQYMHSA-N 0 0 379.148 3.335 20 30 GGEDRN CN(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000024359343 564329594 /nfs/dbraw/zinc/32/95/94/564329594.db2.gz CQKOFWWGOVDYEX-UHFFFAOYSA-N 0 0 398.271 3.124 20 30 GGEDRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@](C)(C#N)C(C)C)ccc1Cl ZINC000120665470 564331386 /nfs/dbraw/zinc/33/13/86/564331386.db2.gz ZSIBWMPLDBMPSX-KRWDZBQOSA-N 0 0 385.917 3.039 20 30 GGEDRN N#CCCN(Cc1ccccn1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120756182 564335492 /nfs/dbraw/zinc/33/54/92/564335492.db2.gz XMXOVCWZAGBQOU-UHFFFAOYSA-N 0 0 389.209 3.308 20 30 GGEDRN N#Cc1ccccc1OCC(=O)Nc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000120751680 564335965 /nfs/dbraw/zinc/33/59/65/564335965.db2.gz QGQYEVYJTNACFR-UHFFFAOYSA-N 0 0 398.220 3.123 20 30 GGEDRN N#CCCN(CC(F)(F)F)C(=O)Cc1cccc(I)c1 ZINC000120816202 564338688 /nfs/dbraw/zinc/33/86/88/564338688.db2.gz QMNIZGJTUBKYHJ-UHFFFAOYSA-N 0 0 396.150 3.138 20 30 GGEDRN Cc1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1Br ZINC000120837223 564339847 /nfs/dbraw/zinc/33/98/47/564339847.db2.gz FPBAUQOEDUCOFP-UHFFFAOYSA-N 0 0 391.273 3.031 20 30 GGEDRN C=CCNC(=O)[C@@H](C)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000120871591 564340723 /nfs/dbraw/zinc/34/07/23/564340723.db2.gz MQPIMXWYOUAQBB-LLVKDONJSA-N 0 0 377.242 3.134 20 30 GGEDRN C=CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(Nc2cccc(C)c2)s1 ZINC000025640358 564340708 /nfs/dbraw/zinc/34/07/08/564340708.db2.gz CSVZWTCWWZFGQC-LLVKDONJSA-N 0 0 377.495 3.083 20 30 GGEDRN C=CCn1c(SC[C@H](O)COCc2cccs2)nnc1-c1ccco1 ZINC000120913936 564343414 /nfs/dbraw/zinc/34/34/14/564343414.db2.gz MUPPUVVECJFZBZ-CYBMUJFWSA-N 0 0 377.491 3.455 20 30 GGEDRN CN(CCS(=O)(=O)c1ccc(Br)cc1)Cc1cccc(C#N)c1 ZINC000026325584 564345923 /nfs/dbraw/zinc/34/59/23/564345923.db2.gz HITPULYSHGIMEO-UHFFFAOYSA-N 0 0 393.306 3.226 20 30 GGEDRN N#CCCN(C(=O)c1ccc(Br)o1)c1ccc2c(c1)OCCO2 ZINC000120975656 564346228 /nfs/dbraw/zinc/34/62/28/564346228.db2.gz YLSICHRUMONBLC-UHFFFAOYSA-N 0 0 377.194 3.374 20 30 GGEDRN Cc1cc(CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)no1 ZINC000120979951 564347131 /nfs/dbraw/zinc/34/71/31/564347131.db2.gz AWTZHSGQEKSMBT-KRWDZBQOSA-N 0 0 375.270 3.128 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OC(=O)CCNC(=O)C(C)(C)C ZINC000121005620 564347905 /nfs/dbraw/zinc/34/79/05/564347905.db2.gz NBZAZYOELXZJDZ-UHFFFAOYSA-N 0 0 397.269 3.177 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1Cl ZINC000121052301 564350298 /nfs/dbraw/zinc/35/02/98/564350298.db2.gz SXBLYOKHZQVVOE-UHFFFAOYSA-N 0 0 375.837 3.139 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)CN(Cc1cccc(Br)c1)C1CC1 ZINC000027230459 564352663 /nfs/dbraw/zinc/35/26/63/564352663.db2.gz CIQMIWRZRMWYAQ-SFHVURJKSA-N 0 0 378.314 3.468 20 30 GGEDRN N#Cc1cccc(NC(=O)COc2cccc(I)c2)c1 ZINC000027251233 564353010 /nfs/dbraw/zinc/35/30/10/564353010.db2.gz PWMUZUUNFCWPHQ-UHFFFAOYSA-N 0 0 378.169 3.180 20 30 GGEDRN CN(Cc1ccc(Br)o1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000121090979 564353394 /nfs/dbraw/zinc/35/33/94/564353394.db2.gz ULPQLPCXGGSDSK-UHFFFAOYSA-N 0 0 396.628 3.164 20 30 GGEDRN CCn1c(SCC(=O)Nc2sccc2C#N)nc2ccsc2c1=O ZINC000027820717 564356928 /nfs/dbraw/zinc/35/69/28/564356928.db2.gz GQPNBRMDGDGJFH-UHFFFAOYSA-N 0 0 376.488 3.142 20 30 GGEDRN CSCc1noc(CCC(=O)N[C@@H](C#N)c2cccc(Br)c2)n1 ZINC000121189509 564357847 /nfs/dbraw/zinc/35/78/47/564357847.db2.gz BJQMHYFAYOZECB-LBPRGKRZSA-N 0 0 395.282 3.009 20 30 GGEDRN N#CCCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121240662 564361141 /nfs/dbraw/zinc/36/11/41/564361141.db2.gz OXRAYIATBOJTLI-UHFFFAOYSA-N 0 0 389.209 3.308 20 30 GGEDRN C=CCN(C)C(=O)C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000121340737 564364529 /nfs/dbraw/zinc/36/45/29/564364529.db2.gz QINYEFAQIPKLQI-UHFFFAOYSA-N 0 0 390.237 3.219 20 30 GGEDRN Cc1cc(Br)ccc1NC(=O)CN(C)c1nnc(C)c(C)c1C#N ZINC000029368588 564369980 /nfs/dbraw/zinc/36/99/80/564369980.db2.gz XFMNVKRXUVZVDE-UHFFFAOYSA-N 0 0 388.269 3.111 20 30 GGEDRN C=CCN(C)C(=O)C(=O)Nc1ccnn1[C@H](C)c1cc(Cl)ccc1Cl ZINC000121442962 564370007 /nfs/dbraw/zinc/37/00/07/564370007.db2.gz RNAAIEYJFPPZOF-LLVKDONJSA-N 0 0 381.263 3.382 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCSc3ccncc32)cc1C(F)(F)F ZINC000121465530 564370414 /nfs/dbraw/zinc/37/04/14/564370414.db2.gz QCAAYRCPICREEF-UHFFFAOYSA-N 0 0 385.392 3.273 20 30 GGEDRN CCN(CCC#N)C(=O)CNc1ccc(I)cc1Cl ZINC000121464045 564370503 /nfs/dbraw/zinc/37/05/03/564370503.db2.gz JQROKENCGWMRHZ-UHFFFAOYSA-N 0 0 391.640 3.119 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCSc3ccncc32)c(C(F)(F)F)c1 ZINC000121474222 564370775 /nfs/dbraw/zinc/37/07/75/564370775.db2.gz BRMNWWFPENKOLS-UHFFFAOYSA-N 0 0 385.392 3.273 20 30 GGEDRN C=CCCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)C(F)F)ccc1NCC ZINC000121488266 564372049 /nfs/dbraw/zinc/37/20/49/564372049.db2.gz XWFWODLPDPROOI-NSHDSACASA-N 0 0 376.425 3.034 20 30 GGEDRN Cc1ccc(Br)cc1NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000121584912 564375507 /nfs/dbraw/zinc/37/55/07/564375507.db2.gz YDGJBGOKZIJLCX-UHFFFAOYSA-N 0 0 376.185 3.346 20 30 GGEDRN COCCN(CCC#N)C(=O)CCSc1ncnc2sc(C)c(C)c21 ZINC000121590160 564376463 /nfs/dbraw/zinc/37/64/63/564376463.db2.gz XCROBLSWLBMHKP-UHFFFAOYSA-N 0 0 378.523 3.179 20 30 GGEDRN N#Cc1cccc(NC(=O)C[S@@](=O)Cc2ccc(Br)s2)c1 ZINC000121614457 564377755 /nfs/dbraw/zinc/37/77/55/564377755.db2.gz QMUOTBZXCBQSAV-OAQYLSRUSA-N 0 0 383.292 3.270 20 30 GGEDRN N#CC1(NC(=O)CNc2ccccc2I)CCCCC1 ZINC000030286280 564377970 /nfs/dbraw/zinc/37/79/70/564377970.db2.gz IFLGFTAUUXNGTP-UHFFFAOYSA-N 0 0 383.233 3.046 20 30 GGEDRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1Br ZINC000030359967 564379902 /nfs/dbraw/zinc/37/99/02/564379902.db2.gz WFJVUVHZYAZBMC-NSHDSACASA-N 0 0 395.278 3.369 20 30 GGEDRN N#Cc1ccc(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)[nH]1 ZINC000121658518 564380365 /nfs/dbraw/zinc/38/03/65/564380365.db2.gz JZIWFHPJLBLAFC-UHFFFAOYSA-N 0 0 388.265 3.127 20 30 GGEDRN COc1ccc([C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1Br ZINC000030428386 564380473 /nfs/dbraw/zinc/38/04/73/564380473.db2.gz HDMUHWFTHLYBDY-NSHDSACASA-N 0 0 395.278 3.369 20 30 GGEDRN COc1ccc([C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1Br ZINC000030428392 564380865 /nfs/dbraw/zinc/38/08/65/564380865.db2.gz LLOPHSAMSBLFDP-NSHDSACASA-N 0 0 395.278 3.369 20 30 GGEDRN Cc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccc(C#N)cc1 ZINC000030522806 564382221 /nfs/dbraw/zinc/38/22/21/564382221.db2.gz CFKWGZFVFDOTQY-UHFFFAOYSA-N 0 0 379.279 3.450 20 30 GGEDRN CNc1snc(C)c1C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000030570828 564382499 /nfs/dbraw/zinc/38/24/99/564382499.db2.gz XEDNTEGJDBNUBX-NXEZZACHSA-N 0 0 381.527 3.195 20 30 GGEDRN COc1ccc(S(=O)(=O)N(C)Cc2cccc(C#N)c2)cc1Br ZINC000030522355 564382560 /nfs/dbraw/zinc/38/25/60/564382560.db2.gz LUGBSHYKYDQVOL-UHFFFAOYSA-N 0 0 395.278 3.150 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccn1 ZINC000031215614 564387222 /nfs/dbraw/zinc/38/72/22/564387222.db2.gz DHRVHDAHYCFHJC-UHFFFAOYSA-N 0 0 376.210 3.132 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)Cc1ccco1 ZINC000031206909 564387346 /nfs/dbraw/zinc/38/73/46/564387346.db2.gz BGVYTCFAILRQDQ-UHFFFAOYSA-N 0 0 393.237 3.350 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(C)CC1 ZINC000031205686 564387363 /nfs/dbraw/zinc/38/73/63/564387363.db2.gz JOYHEBSTUXVXJJ-UHFFFAOYSA-N 0 0 381.270 3.357 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000031403322 564388838 /nfs/dbraw/zinc/38/88/38/564388838.db2.gz ZQYZJUMPUOJLRI-UHFFFAOYSA-N 0 0 388.240 3.422 20 30 GGEDRN Cc1ccc(NC(=O)c2ccc(C#N)c(C)n2)cc1I ZINC000031878133 564393889 /nfs/dbraw/zinc/39/38/89/564393889.db2.gz HPKBWHGYAYZBJY-UHFFFAOYSA-N 0 0 377.185 3.427 20 30 GGEDRN C=CCN(CC(=O)N(C)Cc1cccs1)S(=O)(=O)c1cccc(Cl)c1 ZINC000121999744 564396177 /nfs/dbraw/zinc/39/61/77/564396177.db2.gz LZHUJPALKAGIJH-UHFFFAOYSA-N 0 0 398.937 3.237 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)NCc2cc(Br)cs2)ccc1Cl ZINC000122023853 564397234 /nfs/dbraw/zinc/39/72/34/564397234.db2.gz SLXFWFFLJDXRMG-UHFFFAOYSA-N 0 0 398.669 3.291 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2cc(Br)cn2C)cc1 ZINC000122119833 564401272 /nfs/dbraw/zinc/40/12/72/564401272.db2.gz SADYHFZFKYSANB-UHFFFAOYSA-N 0 0 377.242 3.347 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1 ZINC000032502681 564401655 /nfs/dbraw/zinc/40/16/55/564401655.db2.gz OAEYSSXNBLXEAM-UHFFFAOYSA-N 0 0 384.910 3.138 20 30 GGEDRN Cc1c(C(=O)N[C@H](C#N)C(C)(C)C)nnn1-c1cccc(Br)c1 ZINC000122152624 564402207 /nfs/dbraw/zinc/40/22/07/564402207.db2.gz FUHBFJQEFCFSKI-CYBMUJFWSA-N 0 0 376.258 3.006 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@H](C)C1 ZINC000032644775 564403572 /nfs/dbraw/zinc/40/35/72/564403572.db2.gz XDVRZIRNHSUNGV-GFCCVEGCSA-N 0 0 381.270 3.357 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCSc3ncccc32)c(C(F)(F)F)c1 ZINC000122213562 564404349 /nfs/dbraw/zinc/40/43/49/564404349.db2.gz HTRZXLJCHFDSNP-UHFFFAOYSA-N 0 0 385.392 3.273 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccnc1 ZINC000032647123 564404631 /nfs/dbraw/zinc/40/46/31/564404631.db2.gz CVXOZUBDAPXVBX-UHFFFAOYSA-N 0 0 376.210 3.132 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](C#N)C(C)(C)C ZINC000122218234 564405449 /nfs/dbraw/zinc/40/54/49/564405449.db2.gz GXGQQVYPEAFJJP-CQSZACIVSA-N 0 0 394.269 3.153 20 30 GGEDRN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000122257989 564406284 /nfs/dbraw/zinc/40/62/84/564406284.db2.gz FCTXJMIAMNYFPD-KRWDZBQOSA-N 0 0 385.917 3.037 20 30 GGEDRN Cc1nc(CN2CCN(c3ccc(C#N)cc3Br)CC2)cs1 ZINC000122268738 564407163 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C=CCn1c(=O)c2ccsc2nc1SCC(=O)Nc1ccc(Cl)cn1 ZINC000036800055 564420058 /nfs/dbraw/zinc/42/00/58/564420058.db2.gz OCONGVGZXJNJRJ-UHFFFAOYSA-N 0 0 392.893 3.423 20 30 GGEDRN N#Cc1ccc(OC[C@@H](O)CNc2cccc(I)c2)cc1 ZINC000037856947 564422040 /nfs/dbraw/zinc/42/20/40/564422040.db2.gz WHAVDOURYRZWBK-HNNXBMFYSA-N 0 0 394.212 3.015 20 30 GGEDRN N#Cc1ccc(OC[C@H](O)CNc2ccc(I)cc2)cc1 ZINC000037856907 564422252 /nfs/dbraw/zinc/42/22/52/564422252.db2.gz HAMKCIMSPRGMQM-OAHLLOKOSA-N 0 0 394.212 3.015 20 30 GGEDRN N#Cc1ccc(F)cc1Cn1cnc2c(F)cc(Br)cc2c1=O ZINC000122701158 564423878 /nfs/dbraw/zinc/42/38/78/564423878.db2.gz DORUSDAKWLKFDJ-UHFFFAOYSA-N 0 0 376.160 3.357 20 30 GGEDRN COc1ccc(OC)c([C@H](O)CNc2ccc(C#N)cc2Br)c1 ZINC000122798119 564427909 /nfs/dbraw/zinc/42/79/09/564427909.db2.gz HINAJRPHSPTSMW-MRXNPFEDSA-N 0 0 377.238 3.483 20 30 GGEDRN C[C@H](CC#N)NC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000122809574 564428836 /nfs/dbraw/zinc/42/88/36/564428836.db2.gz AHVGZMFJKWTKKR-GHMZBOCLSA-N 0 0 386.304 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CC(=O)N1CCc2cc(C(=O)N[C@H](C#N)c3cccc(Br)c3)ccc21 ZINC000127774785 564595454 /nfs/dbraw/zinc/59/54/54/564595454.db2.gz GGVIYVDOAZHLJO-QGZVFWFLSA-N 0 0 398.260 3.353 20 30 GGEDRN C[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000127757769 564595495 /nfs/dbraw/zinc/59/54/95/564595495.db2.gz JXNBRWDGIWIMPP-GWCFXTLKSA-N 0 0 392.278 3.010 20 30 GGEDRN COc1ccc(CC(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1OC ZINC000127806767 564597015 /nfs/dbraw/zinc/59/70/15/564597015.db2.gz JXIVWYPUZDTLHY-HNNXBMFYSA-N 0 0 389.249 3.390 20 30 GGEDRN CN(Cc1ccc(F)c(Br)c1)S(=O)(=O)c1cccc(C#N)c1 ZINC000054234641 564601458 /nfs/dbraw/zinc/60/14/58/564601458.db2.gz RAYSFNOAFVGASJ-UHFFFAOYSA-N 0 0 383.242 3.281 20 30 GGEDRN C=CCOc1ccccc1C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000054228863 564601676 /nfs/dbraw/zinc/60/16/76/564601676.db2.gz KYOHIDVGHJIRKF-UHFFFAOYSA-N 0 0 379.865 3.109 20 30 GGEDRN C=CCN(CC(=O)Nc1ccc(Br)cn1)Cc1ccc(OC)cc1 ZINC000054272432 564602100 /nfs/dbraw/zinc/60/21/00/564602100.db2.gz 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CC[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000128532403 564620706 /nfs/dbraw/zinc/62/07/06/564620706.db2.gz LFDKQXXFLRFBKV-OAHLLOKOSA-N 0 0 378.881 3.173 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1scnc1C(=O)OC ZINC000128550884 564621780 /nfs/dbraw/zinc/62/17/80/564621780.db2.gz VJVOSWUTEJGOLM-UHFFFAOYSA-N 0 0 392.911 3.022 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Br)c1 ZINC000055546656 564623249 /nfs/dbraw/zinc/62/32/49/564623249.db2.gz ZAAAKWJHRZBZLM-UHFFFAOYSA-N 0 0 395.278 3.166 20 30 GGEDRN C=CCOc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000055549152 564623255 /nfs/dbraw/zinc/62/32/55/564623255.db2.gz YFLVSWSRPSJVSE-UHFFFAOYSA-N 0 0 389.249 3.382 20 30 GGEDRN N#Cc1ccc(CCC(=O)NCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000055548993 564623574 /nfs/dbraw/zinc/62/35/74/564623574.db2.gz ZELHFGFHVDWUPT-UHFFFAOYSA-N 0 0 386.249 3.008 20 30 GGEDRN CN(CCC#N)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000128774975 564629081 /nfs/dbraw/zinc/62/90/81/564629081.db2.gz ZYGUZGJRRZQFMG-UHFFFAOYSA-N 0 0 376.210 3.280 20 30 GGEDRN N#Cc1cnc2ccccc2c1NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000128758073 564629671 /nfs/dbraw/zinc/62/96/71/564629671.db2.gz YFEKGDLFBMNTLL-UHFFFAOYSA-N 0 0 392.893 3.212 20 30 GGEDRN C=CCOc1cccc(NC(=O)CN(C)C(=O)c2ccc(Br)o2)c1 ZINC000055723310 564630365 /nfs/dbraw/zinc/63/03/65/564630365.db2.gz RBQBUORGARCGNB-UHFFFAOYSA-N 0 0 393.237 3.318 20 30 GGEDRN C=CCOc1cccc(NC(=O)CNC(=O)c2cccc(Br)c2)c1 ZINC000055722527 564630525 /nfs/dbraw/zinc/63/05/25/564630525.db2.gz HWEAXEJKSGOVPM-UHFFFAOYSA-N 0 0 389.249 3.382 20 30 GGEDRN CC(C)c1nnc(/C=C/C(=O)N[C@H](C#N)c2cccc(Br)c2)o1 ZINC000128838957 564631249 /nfs/dbraw/zinc/63/12/49/564631249.db2.gz HMSGZGIRUQFUJW-KTRBRXNASA-N 0 0 375.226 3.350 20 30 GGEDRN N#Cc1ccccc1OCC(=O)NCCc1ccc(F)c(Br)c1 ZINC000055865467 564633715 /nfs/dbraw/zinc/63/37/15/564633715.db2.gz ZEDKDDRNRZNYDS-UHFFFAOYSA-N 0 0 377.213 3.198 20 30 GGEDRN N#CCCN(Cc1ccccn1)C(=O)Cc1cc(Br)ccc1F ZINC000128926909 564634260 /nfs/dbraw/zinc/63/42/60/564634260.db2.gz 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N#Cc1ccc(S(=O)(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)s1 ZINC000370463078 565144593 /nfs/dbraw/zinc/14/45/93/565144593.db2.gz UNSHMBSUESMIJP-AWEZNQCLSA-N 0 0 386.857 3.174 20 30 GGEDRN C[C@H](C#N)CN(C)C(=O)Nc1cnc(Br)c(Br)c1 ZINC000268229182 565144655 /nfs/dbraw/zinc/14/46/55/565144655.db2.gz RZFVGJPJEZHIAP-SSDOTTSWSA-N 0 0 376.052 3.230 20 30 GGEDRN N#CCCCCS(=O)(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000157847829 565145972 /nfs/dbraw/zinc/14/59/72/565145972.db2.gz VYFMZVXSCMLBMK-LLVKDONJSA-N 0 0 381.445 3.365 20 30 GGEDRN Cn1cc(S(=O)(=O)Oc2ccc(C(F)(F)F)cc2F)c(C(F)(F)F)n1 ZINC000293011438 565146003 /nfs/dbraw/zinc/14/60/03/565146003.db2.gz HNOMERWCYAGTRT-UHFFFAOYSA-N 0 0 392.252 3.365 20 30 GGEDRN N#CCCCCS(=O)(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000157847984 565146464 /nfs/dbraw/zinc/14/64/64/565146464.db2.gz VYFMZVXSCMLBMK-NSHDSACASA-N 0 0 381.445 3.365 20 30 GGEDRN C=CCN(CCC#N)C(=O)Nc1cc(OC)ccc1I ZINC000293028026 565146628 /nfs/dbraw/zinc/14/66/28/565146628.db2.gz 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565152331 /nfs/dbraw/zinc/15/23/31/565152331.db2.gz HJPWGTYQMBHWEU-UHFFFAOYSA-N 0 0 384.205 3.142 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Cl)OCCCO3)c(F)c1 ZINC000158011584 565152647 /nfs/dbraw/zinc/15/26/47/565152647.db2.gz PLJKCBKHUORDKH-UHFFFAOYSA-N 0 0 382.800 3.313 20 30 GGEDRN CN(C)c1cc(Br)cc(C(=O)N(CCC#N)Cc2ccccn2)c1 ZINC000293188953 565155959 /nfs/dbraw/zinc/15/59/59/565155959.db2.gz VNLNKKKKVPPVGK-UHFFFAOYSA-N 0 0 387.281 3.466 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N(C)c1ccc(Br)cc1C ZINC000184821736 565157657 /nfs/dbraw/zinc/15/76/57/565157657.db2.gz FFGCQLFYOOQBMI-UHFFFAOYSA-N 0 0 395.278 3.463 20 30 GGEDRN COc1ccc(Br)c(NS(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000158112539 565157687 /nfs/dbraw/zinc/15/76/87/565157687.db2.gz UJLBBFVTNKPASQ-UHFFFAOYSA-N 0 0 385.214 3.269 20 30 GGEDRN N#CC1(NC(=O)CN(CCO)Cc2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000158132086 565157842 /nfs/dbraw/zinc/15/78/42/565157842.db2.gz JKMPQKLRICMMNV-UHFFFAOYSA-N 0 0 384.307 3.130 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(F)cc1Br ZINC000184809349 565158013 /nfs/dbraw/zinc/15/80/13/565158013.db2.gz PLTZGKLUKPNZDQ-UHFFFAOYSA-N 0 0 385.214 3.269 20 30 GGEDRN C=CCC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000158168095 565158261 /nfs/dbraw/zinc/15/82/61/565158261.db2.gz DNDKOKKKWPVVSM-GOSISDBHSA-N 0 0 379.503 3.076 20 30 GGEDRN N#Cc1cccc(NC(=O)CN(CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000158166748 565158277 /nfs/dbraw/zinc/15/82/77/565158277.db2.gz DRFDDJTUWHTGNU-UHFFFAOYSA-N 0 0 378.259 3.298 20 30 GGEDRN C=CCC[C@@H](NS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000158168397 565158645 /nfs/dbraw/zinc/15/86/45/565158645.db2.gz LABFPGMRWYEMEG-GOSISDBHSA-N 0 0 379.503 3.076 20 30 GGEDRN C=CCC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000158167946 565158823 /nfs/dbraw/zinc/15/88/23/565158823.db2.gz DNDKOKKKWPVVSM-SFHVURJKSA-N 0 0 379.503 3.076 20 30 GGEDRN CCS[C@@H](C)c1noc(CSCC(=O)NCc2ccc(C#N)cc2)n1 ZINC000268755754 565167024 /nfs/dbraw/zinc/16/70/24/565167024.db2.gz 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N#Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c(Cl)c1 ZINC000269217366 565181404 /nfs/dbraw/zinc/18/14/04/565181404.db2.gz LFDKXQBDGSMFOV-CQSZACIVSA-N 0 0 395.893 3.065 20 30 GGEDRN N#Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)c(Cl)c1 ZINC000269209173 565181413 /nfs/dbraw/zinc/18/14/13/565181413.db2.gz GCGRBXJCZOCZSD-UHFFFAOYSA-N 0 0 395.893 3.310 20 30 GGEDRN C=CCN(CCC#N)C(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl ZINC000293740532 565182151 /nfs/dbraw/zinc/18/21/51/565182151.db2.gz LIMBGOAENZDGND-MRXNPFEDSA-N 0 0 379.913 3.120 20 30 GGEDRN CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2cccc(C#N)c2)c1 ZINC000158806986 565183444 /nfs/dbraw/zinc/18/34/44/565183444.db2.gz BHABWMHOAXRUOY-UHFFFAOYSA-N 0 0 380.878 3.346 20 30 GGEDRN CSCCCCCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293761290 565183914 /nfs/dbraw/zinc/18/39/14/565183914.db2.gz OYPJSMPPBWDQRS-UHFFFAOYSA-N 0 0 398.326 3.299 20 30 GGEDRN C[C@@]1(c2ccccc2)CN(S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1 ZINC000185174454 565184546 /nfs/dbraw/zinc/18/45/46/565184546.db2.gz DGGFGHIZQCAUNX-SFHVURJKSA-N 0 0 376.865 3.148 20 30 GGEDRN Cc1ncc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c(Cl)c1Cl ZINC000293798382 565185215 /nfs/dbraw/zinc/18/52/15/565185215.db2.gz STRSRDOTVNRJBE-LBPRGKRZSA-N 0 0 377.231 3.257 20 30 GGEDRN Cc1ccc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)c(Br)n1 ZINC000371308985 565186232 /nfs/dbraw/zinc/18/62/32/565186232.db2.gz ULHRAHDSDYNMMW-UHFFFAOYSA-N 0 0 396.248 3.344 20 30 GGEDRN CC(C)c1n[nH]c(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000269326398 565186306 /nfs/dbraw/zinc/18/63/06/565186306.db2.gz DDDXQIBJFCQUML-NSHDSACASA-N 0 0 392.213 3.198 20 30 GGEDRN O=C(CCOCC(F)(F)C(F)F)NCCc1cc(C(F)(F)F)ccn1 ZINC000293850091 565187676 /nfs/dbraw/zinc/18/76/76/565187676.db2.gz GDSQKJTYAWPQDF-UHFFFAOYSA-N 0 0 376.272 3.066 20 30 GGEDRN C=CCCOCCNC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000158937357 565188917 /nfs/dbraw/zinc/18/89/17/565188917.db2.gz FVERVBIBXSXXNA-UHFFFAOYSA-N 0 0 393.285 3.408 20 30 GGEDRN CS[C@H]1CCCCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000269395741 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N#Cc1ccc(S(=O)(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000161104591 565272700 /nfs/dbraw/zinc/27/27/00/565272700.db2.gz AYTPYXYUCCLYAD-HNNXBMFYSA-N 0 0 376.865 3.444 20 30 GGEDRN N#CCc1cccc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000373148433 565272955 /nfs/dbraw/zinc/27/29/55/565272955.db2.gz WCWGYWWBSNXFKJ-KRWDZBQOSA-N 0 0 398.260 3.050 20 30 GGEDRN COc1cc(S(=O)(=O)N[C@H](C#N)C2CCCCC2)ccc1Br ZINC000161120706 565273441 /nfs/dbraw/zinc/27/34/41/565273441.db2.gz FGVYKJUXIIZEGW-CQSZACIVSA-N 0 0 387.299 3.208 20 30 GGEDRN N#C[C@@H](NS(=O)(=O)c1cc(F)ccc1Br)C1CCCCC1 ZINC000161153795 565275302 /nfs/dbraw/zinc/27/53/02/565275302.db2.gz DJTSQHNRKGSMCH-CYBMUJFWSA-N 0 0 375.263 3.339 20 30 GGEDRN N#C[C@H](NS(=O)(=O)c1cc(F)ccc1Br)C1CCCCC1 ZINC000161153669 565275341 /nfs/dbraw/zinc/27/53/41/565275341.db2.gz DJTSQHNRKGSMCH-ZDUSSCGKSA-N 0 0 375.263 3.339 20 30 GGEDRN C=CCN(C(=O)Nc1cc(Cl)c(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000272042868 565275603 /nfs/dbraw/zinc/27/56/03/565275603.db2.gz 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CO[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1(C)C ZINC000296184259 565306916 /nfs/dbraw/zinc/30/69/16/565306916.db2.gz UPBOSJYUHOXEQY-AWEZNQCLSA-N 0 0 376.400 3.013 20 30 GGEDRN C[C@H](C#N)CN(C)S(=O)(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000373871914 565307466 /nfs/dbraw/zinc/30/74/66/565307466.db2.gz ZDEBYJOWJPTVHQ-WBMJQRKESA-N 0 0 381.548 3.093 20 30 GGEDRN Cc1nc(NC(=O)[C@@]2(C#N)CC23CCCC3)ccc1I ZINC000296214890 565307818 /nfs/dbraw/zinc/30/78/18/565307818.db2.gz JWHRUONAQLMRHR-HNNXBMFYSA-N 0 0 381.217 3.407 20 30 GGEDRN Cc1ccc(I)cc1C(=O)NC1(C#N)CCSCC1 ZINC000162175422 565308211 /nfs/dbraw/zinc/30/82/11/565308211.db2.gz AONBNTULYQDZKL-UHFFFAOYSA-N 0 0 386.258 3.119 20 30 GGEDRN Cc1nn(C)c2nc(C)cc(C(=O)N[C@H](C#N)c3cccc(Br)c3)c12 ZINC000162202460 565308411 /nfs/dbraw/zinc/30/84/11/565308411.db2.gz RPXKJUZUTKNVFQ-OAHLLOKOSA-N 0 0 398.264 3.342 20 30 GGEDRN CC(C)(C[C@H]1CCCN(C(=O)c2ccc(Br)cc2C#N)C1)C(N)=O ZINC000296256916 565308375 /nfs/dbraw/zinc/30/83/75/565308375.db2.gz 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Cc1c(Br)cc(C(=O)NC2(C#N)CCSCC2)cc1[N+](=O)[O-] ZINC000162373186 565314971 /nfs/dbraw/zinc/31/49/71/565314971.db2.gz VKRDJKJWJWGOON-UHFFFAOYSA-N 0 0 384.255 3.185 20 30 GGEDRN CCCC(=O)N1CCCC[C@H]1C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000162414379 565315785 /nfs/dbraw/zinc/31/57/85/565315785.db2.gz NUUDVFNNKYIULN-CVEARBPZSA-N 0 0 392.297 3.311 20 30 GGEDRN N#CCC1(CNC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000374027357 565315883 /nfs/dbraw/zinc/31/58/83/565315883.db2.gz NAPDFLLVKVYDFZ-HNNXBMFYSA-N 0 0 378.270 3.226 20 30 GGEDRN N#C[C@H](NC(=O)c1ncoc1[C@H]1CCCO1)c1cccc(Br)c1 ZINC000162392083 565316131 /nfs/dbraw/zinc/31/61/31/565316131.db2.gz JQMJGHDITIXIGX-QWHCGFSZSA-N 0 0 376.210 3.283 20 30 GGEDRN COCCOc1ccccc1C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000162386645 565316158 /nfs/dbraw/zinc/31/61/58/565316158.db2.gz RUFNIAJLXLHERI-MRXNPFEDSA-N 0 0 389.249 3.469 20 30 GGEDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 ZINC000162429893 565316551 /nfs/dbraw/zinc/31/65/51/565316551.db2.gz 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N#Cc1cc(C#N)c(SCCOc2cc(F)cc(Br)c2)nc1N ZINC000188156410 565384862 /nfs/dbraw/zinc/38/48/62/565384862.db2.gz BZTSDGKTWWQUAE-UHFFFAOYSA-N 0 0 393.241 3.480 20 30 GGEDRN COCCCOc1ccc(Cl)cc1S(=O)(=O)N(CC#N)C1CCCC1 ZINC000274912426 565385526 /nfs/dbraw/zinc/38/55/26/565385526.db2.gz XVVYVSCSJQYMLI-UHFFFAOYSA-N 0 0 386.901 3.212 20 30 GGEDRN COC(=O)c1cc(Br)ccc1OCC(=O)Nc1cccc(C#N)c1 ZINC000170686469 565387308 /nfs/dbraw/zinc/38/73/08/565387308.db2.gz BQUAIQFCHILWRS-UHFFFAOYSA-N 0 0 389.205 3.125 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000170701201 565387971 /nfs/dbraw/zinc/38/79/71/565387971.db2.gz PAXQBSUPRDRQLR-UHFFFAOYSA-N 0 0 385.898 3.420 20 30 GGEDRN Cc1c(Br)cccc1NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000170702149 565388378 /nfs/dbraw/zinc/38/83/78/565388378.db2.gz YRCOTXFURUAGEK-UHFFFAOYSA-N 0 0 386.249 3.226 20 30 GGEDRN C[C@@H](C#N)N(C)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000297822873 565388313 /nfs/dbraw/zinc/38/83/13/565388313.db2.gz QCNBBCCHVDDORK-LBPRGKRZSA-N 0 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C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000188341268 565396501 /nfs/dbraw/zinc/39/65/01/565396501.db2.gz BKDRPCUPGABZFF-ACJLOTCBSA-N 0 0 376.865 3.362 20 30 GGEDRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1ccccc1C#N ZINC000188341455 565396793 /nfs/dbraw/zinc/39/67/93/565396793.db2.gz APGHYRRWCKQXKV-SUMWQHHRSA-N 0 0 376.865 3.362 20 30 GGEDRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000188341340 565396882 /nfs/dbraw/zinc/39/68/82/565396882.db2.gz BKDRPCUPGABZFF-SCLBCKFNSA-N 0 0 376.865 3.362 20 30 GGEDRN N#CCCN(Cc1ccccn1)C(=O)Cc1ccc(F)cc1Br ZINC000188370336 565397855 /nfs/dbraw/zinc/39/78/55/565397855.db2.gz QSUYMCBQLRQHJW-UHFFFAOYSA-N 0 0 376.229 3.468 20 30 GGEDRN COC[C@H](Cc1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000188365201 565397918 /nfs/dbraw/zinc/39/79/18/565397918.db2.gz BOXFIZJVFRKFGK-KRWDZBQOSA-N 0 0 378.881 3.090 20 30 GGEDRN C=C[C@@](C)(CC)C(=O)NCCCNC(=O)c1cc(OC)ccc1Br ZINC000188372857 565397980 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ZINC000170990377 565402056 /nfs/dbraw/zinc/40/20/56/565402056.db2.gz JCLVDTREGLBAMS-UHFFFAOYSA-N 0 0 391.290 3.209 20 30 GGEDRN C#CCO[C@H](C)C(=O)Nc1cc(OC)c(Br)cc1Br ZINC000298149082 565402071 /nfs/dbraw/zinc/40/20/71/565402071.db2.gz YUNDNMNVBPKMNR-MRVPVSSYSA-N 0 0 391.059 3.197 20 30 GGEDRN C=CCN(C(=O)NCc1c(Br)cncc1Br)C1CC1 ZINC000298165568 565402968 /nfs/dbraw/zinc/40/29/68/565402968.db2.gz QGMYCLZKRSLVAY-UHFFFAOYSA-N 0 0 389.091 3.467 20 30 GGEDRN N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CSCCS3)s2)cc1 ZINC000298172222 565403235 /nfs/dbraw/zinc/40/32/35/565403235.db2.gz PANBALFEXOEVBW-LBPRGKRZSA-N 0 0 394.572 3.489 20 30 GGEDRN CC[C@@H](C#N)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000171005729 565403249 /nfs/dbraw/zinc/40/32/49/565403249.db2.gz UAUQLCYMWFYZOO-LBPRGKRZSA-N 0 0 390.237 3.255 20 30 GGEDRN N#CCSCC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000171011225 565403423 /nfs/dbraw/zinc/40/34/23/565403423.db2.gz NXVLKSWFVKJLNM-CYBMUJFWSA-N 0 0 376.869 3.353 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)NCCc1ccc(I)s1 ZINC000188485014 565404217 /nfs/dbraw/zinc/40/42/17/565404217.db2.gz DYKCQTOXZRRSPR-CQSZACIVSA-N 0 0 393.290 3.240 20 30 GGEDRN N#CCCCCS(=O)(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000188487913 565404769 /nfs/dbraw/zinc/40/47/69/565404769.db2.gz AKLGOFPKQQXPDO-ZDUSSCGKSA-N 0 0 376.309 3.185 20 30 GGEDRN COc1cc(OC)c(/N=C/c2c(O)c(C)ncc2CO)cc1Br ZINC000275338566 565404861 /nfs/dbraw/zinc/40/48/61/565404861.db2.gz WQDOMVIPEZOSNR-FBCYGCLPSA-N 0 0 381.226 3.118 20 30 GGEDRN C#CCN(CC)C(=O)C(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 ZINC000298245250 565406357 /nfs/dbraw/zinc/40/63/57/565406357.db2.gz SRKRJHNFCDEAQI-UHFFFAOYSA-N 0 0 375.881 3.116 20 30 GGEDRN C[C@H](c1ccccc1Br)N(C)S(=O)(=O)c1ccc(C#N)nc1 ZINC000171090147 565407397 /nfs/dbraw/zinc/40/73/97/565407397.db2.gz NICVRDMSJXCRME-LLVKDONJSA-N 0 0 380.267 3.097 20 30 GGEDRN N#Cc1cc(NC(=O)NCC(=O)Nc2ccc(Br)cc2)ccc1F ZINC000171086185 565407581 /nfs/dbraw/zinc/40/75/81/565407581.db2.gz NWAFIQVOWWCFBV-UHFFFAOYSA-N 0 0 391.200 3.220 20 30 GGEDRN C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000171105977 565409829 /nfs/dbraw/zinc/40/98/29/565409829.db2.gz ADVOWRWTFKESNO-LLVKDONJSA-N 0 0 376.243 3.472 20 30 GGEDRN N#Cc1ccc(OC2CCN(C(=O)CSCC(F)(F)F)CC2)c(F)c1 ZINC000375866252 565410050 /nfs/dbraw/zinc/41/00/50/565410050.db2.gz DMXHPRKNGUGRRH-UHFFFAOYSA-N 0 0 376.375 3.363 20 30 GGEDRN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000171113700 565410051 /nfs/dbraw/zinc/41/00/51/565410051.db2.gz GTJJOULJYYKDON-UHFFFAOYSA-N 0 0 376.243 3.253 20 30 GGEDRN CN(CCC#N)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000298396167 565412167 /nfs/dbraw/zinc/41/21/67/565412167.db2.gz SIIBMNBPIGSMCO-QBFSEMIESA-N 0 0 379.532 3.102 20 30 GGEDRN C[C@@H](CNC(=O)c1ccc(C#N)c(O)c1)Oc1ccccc1Br ZINC000188614420 565412845 /nfs/dbraw/zinc/41/28/45/565412845.db2.gz PKHQYXVJEGJGGF-NSHDSACASA-N 0 0 375.222 3.224 20 30 GGEDRN C[C@H](CNC(=O)c1ccc(C#N)c(O)c1)Oc1ccccc1Br ZINC000188614441 565412936 /nfs/dbraw/zinc/41/29/36/565412936.db2.gz PKHQYXVJEGJGGF-LLVKDONJSA-N 0 0 375.222 3.224 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000298414336 565412957 /nfs/dbraw/zinc/41/29/57/565412957.db2.gz JXIVNQUYXYYELD-KRWDZBQOSA-N 0 0 376.503 3.131 20 30 GGEDRN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000375995979 565416412 /nfs/dbraw/zinc/41/64/12/565416412.db2.gz VZAGGXLFBABLFX-KFZJALRRSA-N 0 0 382.913 3.162 20 30 GGEDRN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000375995980 565416636 /nfs/dbraw/zinc/41/66/36/565416636.db2.gz VZAGGXLFBABLFX-OMNBBPDLSA-N 0 0 382.913 3.162 20 30 GGEDRN Cc1cc(=NC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)[nH]n1CCC#N ZINC000375998019 565418221 /nfs/dbraw/zinc/41/82/21/565418221.db2.gz DWRHUCGZORGGHF-VQIMIIECSA-N 0 0 399.292 3.132 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000188715672 565419153 /nfs/dbraw/zinc/41/91/53/565419153.db2.gz IZQNPNOGKWPDSA-KBXCAEBGSA-N 0 0 381.314 3.373 20 30 GGEDRN C=CCN(CCC#N)C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000298536353 565419369 /nfs/dbraw/zinc/41/93/69/565419369.db2.gz VQRNATODBOYFJL-UHFFFAOYSA-N 0 0 384.205 3.308 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1Cl ZINC000171268400 565422732 /nfs/dbraw/zinc/42/27/32/565422732.db2.gz IGNWJPGSZZJARI-UHFFFAOYSA-N 0 0 375.837 3.287 20 30 GGEDRN N#Cc1c(NC(=O)C[C@H]2CCCS(=O)(=O)C2)sc2c1CCCCCC2 ZINC000298695065 565424917 /nfs/dbraw/zinc/42/49/17/565424917.db2.gz YTGCUJABBGPBNX-CYBMUJFWSA-N 0 0 380.535 3.432 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000171324544 565426328 /nfs/dbraw/zinc/42/63/28/565426328.db2.gz RXCBEEWNKYAOQP-UHFFFAOYSA-N 0 0 377.853 3.041 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000298703377 565426469 /nfs/dbraw/zinc/42/64/69/565426469.db2.gz VRUMYEIWDYMJSC-UAGQMJEPSA-N 0 0 397.313 3.105 20 30 GGEDRN CSc1ccc(NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)cc1Cl ZINC000275797704 565427636 /nfs/dbraw/zinc/42/76/36/565427636.db2.gz FVENGQVRFKEIIO-UHFFFAOYSA-N 0 0 377.857 3.058 20 30 GGEDRN N#CCCCCNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000171375673 565428452 /nfs/dbraw/zinc/42/84/52/565428452.db2.gz IVTSNPCFYLHIEY-UHFFFAOYSA-N 0 0 381.274 3.101 20 30 GGEDRN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000188873827 565428604 /nfs/dbraw/zinc/42/86/04/565428604.db2.gz MMKOGCCICNXHIE-BXUZGUMPSA-N 0 0 380.286 3.071 20 30 GGEDRN C[C@H](CC(=O)N[C@@H](C#N)c1cccc(Br)c1)NC(=O)C1CCCC1 ZINC000171406278 565429325 /nfs/dbraw/zinc/42/93/25/565429325.db2.gz HUMIIFCSZMWJJJ-WBMJQRKESA-N 0 0 392.297 3.215 20 30 GGEDRN CN(C(C)(C)C#N)S(=O)(=O)c1ccc(Br)cc1Br ZINC000275861071 565429469 /nfs/dbraw/zinc/42/94/69/565429469.db2.gz XPCMQAXIARPWTD-UHFFFAOYSA-N 0 0 396.104 3.134 20 30 GGEDRN COc1nc(C)c(Br)cc1C(=O)N(CCC#N)Cc1ccccn1 ZINC000188884892 565430171 /nfs/dbraw/zinc/43/01/71/565430171.db2.gz DLJSPYJZBAVZFH-UHFFFAOYSA-N 0 0 389.253 3.112 20 30 GGEDRN CN(C(C)(C)C#N)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000275874089 565430581 /nfs/dbraw/zinc/43/05/81/565430581.db2.gz ZINWHENNHMTZKW-CQSZACIVSA-N 0 0 386.901 3.211 20 30 GGEDRN CNC(=O)CC1S/C(=N/c2ccc(Cl)cc2)N(CCCCC#N)C1=O ZINC000171417049 565430793 /nfs/dbraw/zinc/43/07/93/565430793.db2.gz UZSXAAUCBMQDBM-HGNXGAGXSA-N 0 0 378.885 3.101 20 30 GGEDRN CCc1cc(C#N)c(NC(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)s1 ZINC000298861710 565431875 /nfs/dbraw/zinc/43/18/75/565431875.db2.gz QEHJXTFQBGUILO-JTQLQIEISA-N 0 0 378.479 3.178 20 30 GGEDRN COc1ccc(Br)cc1NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000188912244 565432294 /nfs/dbraw/zinc/43/22/94/565432294.db2.gz RJSTXBDGLVBTHG-UHFFFAOYSA-N 0 0 392.184 3.046 20 30 GGEDRN N#Cc1ccc(CNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC000171458903 565432490 /nfs/dbraw/zinc/43/24/90/565432490.db2.gz COZDSBNGVOUYMC-KRWDZBQOSA-N 0 0 399.292 3.399 20 30 GGEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000376381188 565433279 /nfs/dbraw/zinc/43/32/79/565433279.db2.gz 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CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000189122848 565444375 /nfs/dbraw/zinc/44/43/75/565444375.db2.gz PWQFQFFBLDQNIT-MRVPVSSYSA-N 0 0 390.640 3.188 20 30 GGEDRN C=CCCN(C)C(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000276335437 565445086 /nfs/dbraw/zinc/44/50/86/565445086.db2.gz BTNLABMVHWQYLG-UHFFFAOYSA-N 0 0 380.286 3.022 20 30 GGEDRN CCOc1cc(Br)c(CC(=O)N(CC#N)C2CC2)cc1OCC ZINC000299302044 565445444 /nfs/dbraw/zinc/44/54/44/565445444.db2.gz NZIXTJZVFYEZKS-UHFFFAOYSA-N 0 0 381.270 3.304 20 30 GGEDRN Cc1ccc(Br)cc1S(=O)(=O)N(CCC#N)Cc1cccnc1 ZINC000299292070 565445681 /nfs/dbraw/zinc/44/56/81/565445681.db2.gz KKKQKKBVYFELIS-UHFFFAOYSA-N 0 0 394.294 3.257 20 30 GGEDRN COc1c(Br)cc(Cl)cc1S(=O)(=O)NCCCCC#N ZINC000171714004 565447000 /nfs/dbraw/zinc/44/70/00/565447000.db2.gz MIWBZPSDOGIYST-UHFFFAOYSA-N 0 0 381.679 3.083 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000189149888 565447052 /nfs/dbraw/zinc/44/70/52/565447052.db2.gz UQINFJIQSBUGTP-GFCCVEGCSA-N 0 0 396.285 3.183 20 30 GGEDRN C=CCSCCNC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000299324644 565447706 /nfs/dbraw/zinc/44/77/06/565447706.db2.gz ZZQSRVWCDIKDPZ-UHFFFAOYSA-N 0 0 393.822 3.120 20 30 GGEDRN C=CCN(C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000171740665 565447793 /nfs/dbraw/zinc/44/77/93/565447793.db2.gz RRJPZMKOQFLMML-SWLSCSKDSA-N 0 0 390.332 3.374 20 30 GGEDRN C=CCN(C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000171740672 565448116 /nfs/dbraw/zinc/44/81/16/565448116.db2.gz RRJPZMKOQFLMML-IUODEOHRSA-N 0 0 390.332 3.374 20 30 GGEDRN C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000171740687 565448357 /nfs/dbraw/zinc/44/83/57/565448357.db2.gz ZODXPXWQGJZRNA-BPLDGKMQSA-N 0 0 388.316 3.299 20 30 GGEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000376688032 565448900 /nfs/dbraw/zinc/44/89/00/565448900.db2.gz NTUDRORNTCASOT-UHFFFAOYSA-N 0 0 379.551 3.466 20 30 GGEDRN C#CCN(C(=O)C1=CCOCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000376675372 565449412 /nfs/dbraw/zinc/44/94/12/565449412.db2.gz YLSZLFQSAINGNK-MRXNPFEDSA-N 0 0 376.250 3.081 20 30 GGEDRN CN(CCOc1cccc(C#N)c1)S(=O)(=O)c1ccccc1Br ZINC000171775758 565450413 /nfs/dbraw/zinc/45/04/13/565450413.db2.gz MJBHVAQHMKQNLV-UHFFFAOYSA-N 0 0 395.278 3.020 20 30 GGEDRN C=CCN(C(=O)C[C@@H]1CCS(=O)(=O)C1)c1nc(-c2ccccc2)cs1 ZINC000299451814 565450618 /nfs/dbraw/zinc/45/06/18/565450618.db2.gz RFDWPVRDPQCZRZ-AWEZNQCLSA-N 0 0 376.503 3.154 20 30 GGEDRN Cc1cc(Br)c2c(c1)CN(CC(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000189235860 565452779 /nfs/dbraw/zinc/45/27/79/565452779.db2.gz UUOJVVWANBVUQL-GOSISDBHSA-N 0 0 378.314 3.170 20 30 GGEDRN Cc1nc(C(=O)Nc2cc(Br)ccc2-n2cccn2)ccc1C#N ZINC000171818740 565453130 /nfs/dbraw/zinc/45/31/30/565453130.db2.gz CJWREJYBCLZEFE-UHFFFAOYSA-N 0 0 382.221 3.462 20 30 GGEDRN C=CCN(CC=C)C(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000299514712 565453171 /nfs/dbraw/zinc/45/31/71/565453171.db2.gz LZCFSWPWKJHYGN-UHFFFAOYSA-N 0 0 379.913 3.032 20 30 GGEDRN C[C@@H](C#N)CNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000171838297 565454097 /nfs/dbraw/zinc/45/40/97/565454097.db2.gz YQSBNRGQXNTQQU-JTQLQIEISA-N 0 0 376.210 3.184 20 30 GGEDRN C[C@H](C#N)CNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000171844038 565454461 /nfs/dbraw/zinc/45/44/61/565454461.db2.gz KEZHRWSYHJBPLO-GFCCVEGCSA-N 0 0 387.281 3.403 20 30 GGEDRN CCCNC(=O)CSc1nnc(SCC(=O)c2ccc(C#N)cc2)s1 ZINC000299587505 565455242 /nfs/dbraw/zinc/45/52/42/565455242.db2.gz ZQRACPSMLJGHEJ-UHFFFAOYSA-N 0 0 392.531 3.003 20 30 GGEDRN N#C[C@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1Cl ZINC000172024654 565462502 /nfs/dbraw/zinc/46/25/02/565462502.db2.gz XDALISFYKPGPCR-HNNXBMFYSA-N 0 0 383.256 3.148 20 30 GGEDRN CC(C)(CCC#N)CNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000376992433 565462622 /nfs/dbraw/zinc/46/26/22/565462622.db2.gz ICFMKFVRXYGGFV-UHFFFAOYSA-N 0 0 382.306 3.322 20 30 GGEDRN N#Cc1ccc(NCCNC(=O)c2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000301076651 565463046 /nfs/dbraw/zinc/46/30/46/565463046.db2.gz CSBVWSOVXMUUNO-UHFFFAOYSA-N 0 0 389.209 3.071 20 30 GGEDRN Cc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)cc1NS(C)(=O)=O ZINC000172033301 565463581 /nfs/dbraw/zinc/46/35/81/565463581.db2.gz SZEBSNKCUQVHLE-INIZCTEOSA-N 0 0 377.853 3.015 20 30 GGEDRN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C#N)c1ccccc1Cl ZINC000172027901 565463943 /nfs/dbraw/zinc/46/39/43/565463943.db2.gz RIEHPXDHSRFKEY-BDJLRTHQSA-N 0 0 376.243 3.493 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1ncnn1C ZINC000276898747 565465462 /nfs/dbraw/zinc/46/54/62/565465462.db2.gz MBRIVQNUYQZWIS-NSHDSACASA-N 0 0 396.264 3.176 20 30 GGEDRN COC(=O)c1ccc(N2CCN(c3snc(Cl)c3C#N)[C@@H](C)C2)cc1 ZINC000301134339 565465674 /nfs/dbraw/zinc/46/56/74/565465674.db2.gz XECBXVXJKRDUJU-NSHDSACASA-N 0 0 376.869 3.170 20 30 GGEDRN N#Cc1c(Cl)nsc1NCCNC(=O)c1cccc(Br)c1 ZINC000301131655 565466384 /nfs/dbraw/zinc/46/63/84/565466384.db2.gz SEJACTCFMFIIJN-UHFFFAOYSA-N 0 0 385.674 3.273 20 30 GGEDRN N#Cc1c(Cl)nsc1NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000301149203 565467518 /nfs/dbraw/zinc/46/75/18/565467518.db2.gz NTHDDJSQBQLGLC-UHFFFAOYSA-N 0 0 396.925 3.455 20 30 GGEDRN Cc1cc(Br)ccc1NC(=O)CCNc1nnc(C)c(C)c1C#N ZINC000301158837 565468354 /nfs/dbraw/zinc/46/83/54/565468354.db2.gz GRGMATOEAMTHEV-UHFFFAOYSA-N 0 0 388.269 3.477 20 30 GGEDRN N#Cc1c(NCc2nnc(-c3ccc(Br)o3)o2)n[nH]c1C1CC1 ZINC000276962145 565469260 /nfs/dbraw/zinc/46/92/60/565469260.db2.gz VSSPUEOHTJHHTJ-UHFFFAOYSA-N 0 0 375.186 3.176 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3C#N)CC2)cc1 ZINC000301181368 565470459 /nfs/dbraw/zinc/47/04/59/565470459.db2.gz HYDIBFGXZOCLDY-UHFFFAOYSA-N 0 0 375.881 3.031 20 30 GGEDRN N#Cc1ncccc1S(=O)(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000277001038 565471203 /nfs/dbraw/zinc/47/12/03/565471203.db2.gz JYFRUKIHBBIYII-OAHLLOKOSA-N 0 0 398.271 3.022 20 30 GGEDRN O=S(=O)(c1cc(F)ccc1N[C@@H]1CCN(CC(F)(F)F)C1)C(F)(F)F ZINC000301207454 565471571 /nfs/dbraw/zinc/47/15/71/565471571.db2.gz ZZBFRPJQPOLDAY-SECBINFHSA-N 0 0 394.312 3.168 20 30 GGEDRN C=CCn1c(Sc2ncc(Br)cn2)nnc1-c1ccncc1 ZINC000301214796 565471941 /nfs/dbraw/zinc/47/19/41/565471941.db2.gz XSLUTKIHKMMAHR-UHFFFAOYSA-N 0 0 375.255 3.230 20 30 GGEDRN N#C[C@H](NC(=O)c1cc(I)c[nH]1)c1ccccc1Cl ZINC000172222827 565472890 /nfs/dbraw/zinc/47/28/90/565472890.db2.gz SYTKPHZHSPMLSX-LBPRGKRZSA-N 0 0 385.592 3.267 20 30 GGEDRN N#Cc1cc(Cl)ccc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000301201800 565472216 /nfs/dbraw/zinc/47/22/16/565472216.db2.gz PTJFXPBRTVCABH-UHFFFAOYSA-N 0 0 396.299 3.376 20 30 GGEDRN N#C[C@@H](NC(=O)c1cc(I)c[nH]1)c1ccccc1Cl ZINC000172222822 565472829 /nfs/dbraw/zinc/47/28/29/565472829.db2.gz SYTKPHZHSPMLSX-GFCCVEGCSA-N 0 0 385.592 3.267 20 30 GGEDRN N#Cc1ncccc1S(=O)(=O)N1CCC[C@H]1c1ccccc1Br ZINC000377262892 565472797 /nfs/dbraw/zinc/47/27/97/565472797.db2.gz SQCDFOOKUDRKOE-HNNXBMFYSA-N 0 0 392.278 3.242 20 30 GGEDRN Cc1cccc(CNC(=O)C(=O)Nc2cccc(C#N)c2C)c1Br ZINC000189530755 565473245 /nfs/dbraw/zinc/47/32/45/565473245.db2.gz LDCIDISNMJXTTL-UHFFFAOYSA-N 0 0 386.249 3.193 20 30 GGEDRN COCC[C@](C)(C#N)NC(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000377341633 565474765 /nfs/dbraw/zinc/47/47/65/565474765.db2.gz DYPGLZRJMCONEG-CGTJXYLNSA-N 0 0 377.282 3.088 20 30 GGEDRN COCC[C@](C)(C#N)NC(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000377341639 565475106 /nfs/dbraw/zinc/47/51/06/565475106.db2.gz DYPGLZRJMCONEG-KBAYOESNSA-N 0 0 377.282 3.088 20 30 GGEDRN C[C@H]1C[C@H](NC(=O)c2cccc(SCC#N)c2)c2ccsc2S1(=O)=O ZINC000377328769 565475149 /nfs/dbraw/zinc/47/51/49/565475149.db2.gz CYVPDLSLQGOLFC-NHYWBVRUSA-N 0 0 392.527 3.401 20 30 GGEDRN C=CCNC(=O)c1ccc(NCc2cc3c(c(Br)c2)OCO3)nc1 ZINC000301265759 565475258 /nfs/dbraw/zinc/47/52/58/565475258.db2.gz WIQGFQOGQFYJLV-UHFFFAOYSA-N 0 0 390.237 3.101 20 30 GGEDRN N#Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000301264757 565475818 /nfs/dbraw/zinc/47/58/18/565475818.db2.gz HIDWBGHZEIBBHF-UHFFFAOYSA-N 0 0 376.825 3.144 20 30 GGEDRN CCc1noc(C)c1CS(=O)(=O)Cc1cc(C#N)ccc1Br ZINC000277088147 565476179 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CC[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000173836027 565592230 /nfs/dbraw/zinc/59/22/30/565592230.db2.gz TXYNHJWFBXXLLB-NSHDSACASA-N 0 0 375.397 3.463 20 30 GGEDRN COc1cc(C)c(S(=O)(=O)N(CCC#N)Cc2cccnc2)cc1Cl ZINC000279038230 565592516 /nfs/dbraw/zinc/59/25/16/565592516.db2.gz JDKVHOLFBSQHLU-UHFFFAOYSA-N 0 0 379.869 3.157 20 30 GGEDRN C=CCN(C(=O)Nc1cc(Cl)c(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000191289102 565594932 /nfs/dbraw/zinc/59/49/32/565594932.db2.gz YTFLTHOOCXJDPG-SNVBAGLBSA-N 0 0 393.292 3.209 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2sc(C)c(Br)c2OC)n1 ZINC000279096373 565595868 /nfs/dbraw/zinc/59/58/68/565595868.db2.gz IWUOORYNWRWZGZ-UHFFFAOYSA-N 0 0 396.310 3.320 20 30 GGEDRN CCc1cc(C#N)c(NC(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)s1 ZINC000279096104 565595899 /nfs/dbraw/zinc/59/58/99/565595899.db2.gz GUHOQPPDUNDSSR-MRXNPFEDSA-N 0 0 376.503 3.339 20 30 GGEDRN Cn1cc(CN2CCN(Cc3ccc(Br)c(F)c3)CC2)cc1C#N ZINC000191420275 565602699 /nfs/dbraw/zinc/60/26/99/565602699.db2.gz LUQSDLFCEHSQBO-UHFFFAOYSA-N 0 0 391.288 3.116 20 30 GGEDRN CN(C1(C#N)CCC1)S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000408313441 565602847 /nfs/dbraw/zinc/60/28/47/565602847.db2.gz JBPMWLCWMNCGBO-UHFFFAOYSA-N 0 0 381.654 3.308 20 30 GGEDRN N#CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000173976012 565602948 /nfs/dbraw/zinc/60/29/48/565602948.db2.gz SHVXRTCZSVCVEA-UHFFFAOYSA-N 0 0 376.278 3.052 20 30 GGEDRN Cc1cc(S(=O)(=O)N(C2CC2)C2(C#N)CCC2)sc1Br ZINC000408314608 565603212 /nfs/dbraw/zinc/60/32/12/565603212.db2.gz VQNXEGBUVPOEJO-UHFFFAOYSA-N 0 0 375.313 3.418 20 30 GGEDRN N#Cc1cc(Br)cc(COC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)c1 ZINC000279246469 565603566 /nfs/dbraw/zinc/60/35/66/565603566.db2.gz HPMXJWKYDURUAF-HNNXBMFYSA-N 0 0 391.265 3.013 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000321116419 565604690 /nfs/dbraw/zinc/60/46/90/565604690.db2.gz PLXWLJXWZUDTTB-ZYHUDNBSSA-N 0 0 376.678 3.313 20 30 GGEDRN N#Cc1cc(F)ccc1NC(=O)Cc1ccc(I)cc1 ZINC000191445973 565605178 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N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H]3CCC[C@H]32)cc1Br ZINC000408459232 565611024 /nfs/dbraw/zinc/61/10/24/565611024.db2.gz HXBDTOJJJSMQSN-QMTHXVAHSA-N 0 0 387.274 3.413 20 30 GGEDRN C[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C(C)(C)C1 ZINC000408460890 565611140 /nfs/dbraw/zinc/61/11/40/565611140.db2.gz RXKQLACPJKQANU-VIFPVBQESA-N 0 0 375.263 3.269 20 30 GGEDRN C=CCOc1ccccc1CN[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000174076887 565611310 /nfs/dbraw/zinc/61/13/10/565611310.db2.gz JENOMRHZJJVPHZ-QGZVFWFLSA-N 0 0 393.256 3.469 20 30 GGEDRN Cc1nn(C)c(C)c1CCC(=O)OCc1cc(Br)cc(C#N)c1 ZINC000279404713 565611513 /nfs/dbraw/zinc/61/15/13/565611513.db2.gz WSXZQXUVRINGGG-UHFFFAOYSA-N 0 0 376.254 3.347 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)OC ZINC000323062638 565611499 /nfs/dbraw/zinc/61/14/99/565611499.db2.gz MDOVOHJRLAPWJO-QWHCGFSZSA-N 0 0 377.915 3.061 20 30 GGEDRN N#CCOc1cccc(CC(=O)N2CCc3cc(Br)ccc3C2)c1 ZINC000191553995 565612390 /nfs/dbraw/zinc/61/23/90/565612390.db2.gz CEQUCYBTYAALMO-UHFFFAOYSA-N 0 0 385.261 3.479 20 30 GGEDRN N#Cc1ccccc1N1CCCN(C(=O)c2ccc(Br)nc2)CC1 ZINC000174094845 565612543 /nfs/dbraw/zinc/61/25/43/565612543.db2.gz CTUPYFHXJLKUSH-UHFFFAOYSA-N 0 0 385.265 3.068 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)NCc2cc(F)ccc2Br)n1 ZINC000279437650 565613645 /nfs/dbraw/zinc/61/36/45/565613645.db2.gz JQMRUBNTTDAFKO-UHFFFAOYSA-N 0 0 393.260 3.150 20 30 GGEDRN N#Cc1ccccc1S(=O)(=O)Nc1ccc2nccnc2c1Br ZINC000323591691 565613953 /nfs/dbraw/zinc/61/39/53/565613953.db2.gz GFYUPQAGECSYMJ-UHFFFAOYSA-N 0 0 389.234 3.065 20 30 GGEDRN N#C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2OC(F)(F)F)CCO1 ZINC000191562831 565613960 /nfs/dbraw/zinc/61/39/60/565613960.db2.gz BXHVRJKYAOIJSI-SECBINFHSA-N 0 0 394.147 3.104 20 30 GGEDRN C#CCCCNC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000174119939 565614225 /nfs/dbraw/zinc/61/42/25/565614225.db2.gz OZGOCOZSJHWCCK-UHFFFAOYSA-N 0 0 392.297 3.223 20 30 GGEDRN C=C(C)[C@H](CC(=O)NCc1nc(-c2cccc(Br)c2)no1)OCC ZINC000279481632 565615810 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ZINC000409478677 565618610 /nfs/dbraw/zinc/61/86/10/565618610.db2.gz SHMCPPLGOKRMFC-LLVKDONJSA-N 0 0 376.309 3.393 20 30 GGEDRN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NS(=O)(=O)N(C)C[C@H](C)C#N ZINC000409491955 565619362 /nfs/dbraw/zinc/61/93/62/565619362.db2.gz RWODAWRWGWIMPN-AGIUHOORSA-N 0 0 377.432 3.123 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000409495692 565619488 /nfs/dbraw/zinc/61/94/88/565619488.db2.gz YAYQKVFEEBNQDH-UHFFFAOYSA-N 0 0 390.336 3.485 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000409488061 565619497 /nfs/dbraw/zinc/61/94/97/565619497.db2.gz UIJHKFPJCHWAMT-HNNXBMFYSA-N 0 0 377.432 3.472 20 30 GGEDRN CC(C)CO[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000409496960 565619566 /nfs/dbraw/zinc/61/95/66/565619566.db2.gz AMPHQPPVKYFPCC-ZDUSSCGKSA-N 0 0 376.400 3.013 20 30 GGEDRN CC(C)[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000409489129 565619590 /nfs/dbraw/zinc/61/95/90/565619590.db2.gz XWSNEWBYEGOSRP-SWLSCSKDSA-N 0 0 377.432 3.328 20 30 GGEDRN N#Cc1cc(S(=O)(=O)N2CCSc3ccncc32)ccc1C(F)(F)F ZINC000409495142 565619595 /nfs/dbraw/zinc/61/95/95/565619595.db2.gz KSOKFOOREHGOJK-UHFFFAOYSA-N 0 0 385.392 3.273 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000279562093 565619943 /nfs/dbraw/zinc/61/99/43/565619943.db2.gz KRUQSIYKUYXWPV-UKRRQHHQSA-N 0 0 392.253 3.097 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(C)(C)c1cccc(Cl)c1F ZINC000409507428 565620323 /nfs/dbraw/zinc/62/03/23/565620323.db2.gz NJXHYQDQHBFSMN-LBPRGKRZSA-N 0 0 375.897 3.073 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C ZINC000409506412 565620355 /nfs/dbraw/zinc/62/03/55/565620355.db2.gz ZJFWHZOLUOOXFN-LLVKDONJSA-N 0 0 376.309 3.393 20 30 GGEDRN C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000409499399 565620620 /nfs/dbraw/zinc/62/06/20/565620620.db2.gz HPHKMFZOELZGTC-XHDPSFHLSA-N 0 0 375.416 3.082 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N1CCCCC[C@@H]1CC(=O)c1cccs1 ZINC000409507161 565620699 /nfs/dbraw/zinc/62/06/99/565620699.db2.gz LLRKUPNZZHOSAN-OAHLLOKOSA-N 0 0 383.539 3.046 20 30 GGEDRN CSc1cc(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)ccn1 ZINC000409502889 565620719 /nfs/dbraw/zinc/62/07/19/565620719.db2.gz QQMUNTCRKMIKJD-UHFFFAOYSA-N 0 0 387.408 3.172 20 30 GGEDRN Cc1ccc(S(=O)(=O)N(C)Cc2cc(C#N)ccc2Br)cc1 ZINC000191674254 565620764 /nfs/dbraw/zinc/62/07/64/565620764.db2.gz INGBAIAWJVPMBF-UHFFFAOYSA-N 0 0 379.279 3.450 20 30 GGEDRN CC(C)C(=O)N1CCC(=NOCc2cc(C#N)ccc2Br)CC1 ZINC000191680082 565620769 /nfs/dbraw/zinc/62/07/69/565620769.db2.gz DWIRQXDDECWQOW-UHFFFAOYSA-N 0 0 378.270 3.472 20 30 GGEDRN N#Cc1ccc(Br)c(CN(C2CC2)S(=O)(=O)c2cccnc2)c1 ZINC000191680129 565620803 /nfs/dbraw/zinc/62/08/03/565620803.db2.gz WFLFAAWNTKSTAW-UHFFFAOYSA-N 0 0 392.278 3.069 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000279579024 565620936 /nfs/dbraw/zinc/62/09/36/565620936.db2.gz BIGISBKCQJYTEB-UHFFFAOYSA-N 0 0 376.931 3.066 20 30 GGEDRN COc1cc(=O)n(Cc2cc(C#N)ccc2Br)cc1Br ZINC000191689655 565621351 /nfs/dbraw/zinc/62/13/51/565621351.db2.gz ITHLEQMXDJTBPI-UHFFFAOYSA-N 0 0 398.054 3.302 20 30 GGEDRN COc1ccc(NCc2cc(C#N)ccc2Br)cc1-n1nnnc1C ZINC000191696253 565621560 /nfs/dbraw/zinc/62/15/60/565621560.db2.gz JQMDOQOPFCPEIY-UHFFFAOYSA-N 0 0 399.252 3.226 20 30 GGEDRN N#Cc1ccc(Br)c(CNc2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000191697675 565621781 /nfs/dbraw/zinc/62/17/81/565621781.db2.gz MJLLRGJTZWNLFC-UHFFFAOYSA-N 0 0 377.263 3.263 20 30 GGEDRN C[C@@H](O)CNC(=O)c1cccc(OCc2cc(C#N)ccc2Br)c1 ZINC000191685776 565621810 /nfs/dbraw/zinc/62/18/10/565621810.db2.gz LHMJWCYVYDGMTR-GFCCVEGCSA-N 0 0 389.249 3.010 20 30 GGEDRN N#CC1(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)CCC1 ZINC000279610656 565622165 /nfs/dbraw/zinc/62/21/65/565622165.db2.gz QUFUOETVHYETHE-UHFFFAOYSA-N 0 0 376.254 3.317 20 30 GGEDRN C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000409536864 565622113 /nfs/dbraw/zinc/62/21/13/565622113.db2.gz SPSRAHDZCJURRN-KSSFIOAISA-N 0 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CCC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)c1cccc(C(F)(F)F)c1 ZINC000410158367 565667886 /nfs/dbraw/zinc/66/78/86/565667886.db2.gz GENLYFRACQULSG-IUODEOHRSA-N 0 0 377.432 3.472 20 30 GGEDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329487740 565668227 /nfs/dbraw/zinc/66/82/27/565668227.db2.gz RLJSBGBQWZUISV-YLFCFFPRSA-N 0 0 395.297 3.099 20 30 GGEDRN CCC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 ZINC000410158370 565668500 /nfs/dbraw/zinc/66/85/00/565668500.db2.gz GENLYFRACQULSG-WFASDCNBSA-N 0 0 377.432 3.472 20 30 GGEDRN CC[C@@H]1CN(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C[C@@H](C)S1(=O)=O ZINC000329496124 565668819 /nfs/dbraw/zinc/66/88/19/565668819.db2.gz UUVDEUDQOAAEAY-ODVANORSSA-N 0 0 384.929 3.398 20 30 GGEDRN CC[C@@H]1CN(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C[C@H](C)S1(=O)=O ZINC000329496131 565668825 /nfs/dbraw/zinc/66/88/25/565668825.db2.gz UUVDEUDQOAAEAY-ZFZWDLNGSA-N 0 0 384.929 3.398 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](C)[C@H]2CCCCO2)s1 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3.150 20 30 GGEDRN O=C(NCC#Cc1ccccc1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000410204580 565671733 /nfs/dbraw/zinc/67/17/33/565671733.db2.gz SGXGNUTXRPFYCG-MRXNPFEDSA-N 0 0 389.224 3.373 20 30 GGEDRN O=C(Nc1cc(Br)ccc1N1CCCC1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329565604 565671795 /nfs/dbraw/zinc/67/17/95/565671795.db2.gz OJNCKZKZMPLFCH-QEORTHHSSA-N 0 0 394.313 3.298 20 30 GGEDRN O=C(Nc1ccccc1-n1cc(Br)cn1)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000329602144 565672233 /nfs/dbraw/zinc/67/22/33/565672233.db2.gz FPGGSAMWOCTKLC-PVXIVEMSSA-N 0 0 392.253 3.274 20 30 GGEDRN CC[C@@H](NC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21)C1CCOCC1 ZINC000329603468 565672271 /nfs/dbraw/zinc/67/22/71/565672271.db2.gz LIJUBOYUJJBEHJ-GLQYFDAESA-N 0 0 386.539 3.064 20 30 GGEDRN CC(C)(CNC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)c1cccc(Br)c1 ZINC000329590281 565672351 /nfs/dbraw/zinc/67/23/51/565672351.db2.gz YJMKNXWLYHUNSG-MAZHCROVSA-N 0 0 381.314 3.343 20 30 GGEDRN CC[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc2ncccc2c1 ZINC000329604284 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C[C@@H]1CN(C(=O)NCc2ccc(Br)s2)C[C@]2(CCCOC2)O1 ZINC000330102666 565692243 /nfs/dbraw/zinc/69/22/43/565692243.db2.gz FUPCZFHFYQMGEI-ABAIWWIYSA-N 0 0 389.315 3.195 20 30 GGEDRN C[C@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H](C)S1=O ZINC000330101340 565692447 /nfs/dbraw/zinc/69/24/47/565692447.db2.gz FDJVHVAQCDKBRJ-STQMWFEESA-N 0 0 379.551 3.318 20 30 GGEDRN CN(CC(=O)Nc1ccccc1SC1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000330096307 565692686 /nfs/dbraw/zinc/69/26/86/565692686.db2.gz XDCNJTPRWCRTHT-CQSZACIVSA-N 0 0 382.551 3.428 20 30 GGEDRN Cc1csc(C2(NC(=O)[C@H](C)S(=O)(=O)C3CCOCC3)CCCC2)n1 ZINC000330086054 565692732 /nfs/dbraw/zinc/69/27/32/565692732.db2.gz RTRMHMJIGTYUAW-ZDUSSCGKSA-N 0 0 386.539 3.160 20 30 GGEDRN CN(CC(=O)NC1(c2ccc(Cl)cc2)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000330090483 565692748 /nfs/dbraw/zinc/69/27/48/565692748.db2.gz PJMWASAGCWWCLN-MRXNPFEDSA-N 0 0 384.929 3.185 20 30 GGEDRN COc1ccc(Br)c(CNC(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000330127009 565693079 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C[C@H](C(=O)N[C@@H]1CCOc2c(Cl)cccc21)S(=O)(=O)C1CCOCC1 ZINC000330145370 565694552 /nfs/dbraw/zinc/69/45/52/565694552.db2.gz LCXVWQBGHABFIZ-IAQYHMDHSA-N 0 0 387.885 3.102 20 30 GGEDRN CNC(=O)[C@@H]1CCC[C@H]1Nc1ncc(Cn2cc(Br)cn2)s1 ZINC000330150294 565694809 /nfs/dbraw/zinc/69/48/09/565694809.db2.gz VQZFNWQOCVNHBQ-VXGBXAGGSA-N 0 0 384.303 3.317 20 30 GGEDRN O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)N[C@@H]1CCCSC1 ZINC000330149837 565694898 /nfs/dbraw/zinc/69/48/98/565694898.db2.gz KJAQPRAOFXCOPP-IAGOWNOFSA-N 0 0 383.945 3.113 20 30 GGEDRN C[C@H](C(=O)Nc1nc2c(s1)CCCCCC2)S(=O)(=O)C1CCOCC1 ZINC000330144534 565695028 /nfs/dbraw/zinc/69/50/28/565695028.db2.gz KSOBQKNHSOBMQJ-GFCCVEGCSA-N 0 0 386.539 3.372 20 30 GGEDRN O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)N[C@@H]1CCCSC1 ZINC000330165201 565695517 /nfs/dbraw/zinc/69/55/17/565695517.db2.gz WSCJPKMNCYANLW-RHSMWYFYSA-N 0 0 383.945 3.113 20 30 GGEDRN C=CCCCC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000175361657 565695964 /nfs/dbraw/zinc/69/59/64/565695964.db2.gz 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565697200 /nfs/dbraw/zinc/69/72/00/565697200.db2.gz GWEUWQDBWOHYRS-AWEZNQCLSA-N 0 0 376.258 3.103 20 30 GGEDRN Cc1cc(Br)cc2c1CN(C([O-])=[NH+][C@H]1CCn3ccnc3C1)CC2 ZINC000330201128 565697185 /nfs/dbraw/zinc/69/71/85/565697185.db2.gz XIFQHQYXYIDPAW-HNNXBMFYSA-N 0 0 389.297 3.241 20 30 GGEDRN N#Cc1c(COc2c(CO)cc(Br)cc2CO)cn2ccccc12 ZINC000192517172 565697397 /nfs/dbraw/zinc/69/73/97/565697397.db2.gz YFRVBQGXXWDSAZ-UHFFFAOYSA-N 0 0 387.233 3.137 20 30 GGEDRN C[C@H](CNC(=O)Nc1ccn(CCC#N)n1)Oc1ccccc1Br ZINC000175395946 565697425 /nfs/dbraw/zinc/69/74/25/565697425.db2.gz XDOVIZMYWNTKAJ-GFCCVEGCSA-N 0 0 392.257 3.148 20 30 GGEDRN C[C@@H]1Cc2ccc(Br)cc2CN1C([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330202934 565697541 /nfs/dbraw/zinc/69/75/41/565697541.db2.gz ZZKTZPRELMIADS-MLGOLLRUSA-N 0 0 389.297 3.321 20 30 GGEDRN N#Cc1ccc(C[S@@](=O)Cc2cc3c(cc2Br)OCO3)cc1 ZINC000192537395 565698179 /nfs/dbraw/zinc/69/81/79/565698179.db2.gz FAKBFDMVRQYEDY-JOCHJYFZSA-N 0 0 378.247 3.498 20 30 GGEDRN 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SZKBQJXMKNFTEG-IAQYHMDHSA-N 0 0 378.391 3.485 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(OCC)c(Br)c2)C1=O ZINC000281912446 565755153 /nfs/dbraw/zinc/75/51/53/565755153.db2.gz JCCKBFDRMWVXBS-CQSZACIVSA-N 0 0 396.285 3.098 20 30 GGEDRN CC(C)N(CC(F)F)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000331338497 565755652 /nfs/dbraw/zinc/75/56/52/565755652.db2.gz RIINIOGOJJWICW-UHFFFAOYSA-N 0 0 385.205 3.124 20 30 GGEDRN COC(=O)C1(NC(=O)c2ccc(Br)cc2Cl)CCOCC1 ZINC000331355159 565756161 /nfs/dbraw/zinc/75/61/61/565756161.db2.gz QHVUZQUZJGSREK-UHFFFAOYSA-N 0 0 376.634 3.129 20 30 GGEDRN COC(=O)C1(NC(=O)c2ccc(Br)c(Cl)c2)CCOCC1 ZINC000331359983 565756580 /nfs/dbraw/zinc/75/65/80/565756580.db2.gz XFXNWCMVSYSSAN-UHFFFAOYSA-N 0 0 376.634 3.129 20 30 GGEDRN N#Cc1ccc(CNc2cnc(N3CCOCC3)c(Br)c2)s1 ZINC000281960413 565757066 /nfs/dbraw/zinc/75/70/66/565757066.db2.gz RYTODIFGLQETQX-UHFFFAOYSA-N 0 0 379.283 3.226 20 30 GGEDRN COc1ccc(-c2nc(CS(=O)(=O)CCCCC#N)cs2)cc1OC ZINC000193519039 565758207 /nfs/dbraw/zinc/75/82/07/565758207.db2.gz ASHNTRLRKCMJPG-UHFFFAOYSA-N 0 0 380.491 3.436 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCOc2ccc(Br)cc2C1 ZINC000331407905 565758315 /nfs/dbraw/zinc/75/83/15/565758315.db2.gz IVYHGCVDJDEEOH-FZKQIMNGSA-N 0 0 394.313 3.086 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)Nc2cc(Br)c(F)cc2C)C1=O ZINC000282000181 565759793 /nfs/dbraw/zinc/75/97/93/565759793.db2.gz QJOFQZDIUXCGGS-AWEZNQCLSA-N 0 0 384.249 3.147 20 30 GGEDRN CNC(=O)[C@]1(C)CCN(c2c(C#N)cnc3c(Br)c(C)ccc32)C1 ZINC000282020448 565761271 /nfs/dbraw/zinc/76/12/71/565761271.db2.gz QKHDDEVJOYEHMQ-GOSISDBHSA-N 0 0 387.281 3.140 20 30 GGEDRN N#Cc1csc(C(=O)N(CCO)Cc2cc(Br)ccc2F)c1 ZINC000176284167 565762117 /nfs/dbraw/zinc/76/21/17/565762117.db2.gz VCGHVZQNARCYQK-UHFFFAOYSA-N 0 0 383.242 3.156 20 30 GGEDRN Cc1cc(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)ccc1Br ZINC000193577322 565762413 /nfs/dbraw/zinc/76/24/13/565762413.db2.gz HBQSKWLVXHIXLY-UHFFFAOYSA-N 0 0 386.249 3.226 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000193578547 565762704 /nfs/dbraw/zinc/76/27/04/565762704.db2.gz JDVBNNWTNYUFPF-UHFFFAOYSA-N 0 0 390.212 3.057 20 30 GGEDRN CN(C)S(=O)(=O)c1cccc(CSCCCC2(C#N)CCOCC2)c1 ZINC000282055233 565762741 /nfs/dbraw/zinc/76/27/41/565762741.db2.gz ZRGRLWCCGKXHJO-UHFFFAOYSA-N 0 0 382.551 3.271 20 30 GGEDRN CCc1c(Br)cc(C(=O)N(CC#N)CC#N)cc1Br ZINC000282064119 565763139 /nfs/dbraw/zinc/76/31/39/565763139.db2.gz YMQMDAJBCKOUIM-UHFFFAOYSA-N 0 0 385.059 3.263 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000331493675 565763124 /nfs/dbraw/zinc/76/31/24/565763124.db2.gz JRBZQCVMDLTMID-HQQWDMGQSA-N 0 0 399.260 3.302 20 30 GGEDRN N#CCCN(CC(F)(F)F)C(=O)C1(c2cncc(Br)c2)CC1 ZINC000282079862 565763765 /nfs/dbraw/zinc/76/37/65/565763765.db2.gz AHLYBHFLHNXZER-UHFFFAOYSA-N 0 0 376.176 3.180 20 30 GGEDRN C=CCc1ccccc1OC[C@@H](O)CSc1nnc(N2CCCC2)s1 ZINC000193582436 565764063 /nfs/dbraw/zinc/76/40/63/565764063.db2.gz CPANOCLJZYACEH-OAHLLOKOSA-N 0 0 377.535 3.399 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000176340136 565766052 /nfs/dbraw/zinc/76/60/52/565766052.db2.gz PQCGNYAXFWLKPY-UHFFFAOYSA-N 0 0 388.240 3.422 20 30 GGEDRN C[C@](C#N)(NC(=O)CN(Cc1csc(Br)c1)C1CC1)C1CC1 ZINC000193619238 565766151 /nfs/dbraw/zinc/76/61/51/565766151.db2.gz VYQXWHIQTPOOTE-MRXNPFEDSA-N 0 0 382.327 3.283 20 30 GGEDRN C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](OC)C1 ZINC000282155612 565767406 /nfs/dbraw/zinc/76/74/06/565767406.db2.gz CMZNKXWCDBJKJO-LBPRGKRZSA-N 0 0 381.249 3.258 20 30 GGEDRN N#Cc1cc(Br)ccc1CN1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412056561 565767466 /nfs/dbraw/zinc/76/74/66/565767466.db2.gz OULYEXLPEJDOQJ-QGZVFWFLSA-N 0 0 376.298 3.298 20 30 GGEDRN COc1ccc(CN(C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1Cl ZINC000412044615 565768666 /nfs/dbraw/zinc/76/86/66/565768666.db2.gz QYJCDAXYWXGPOW-UHFFFAOYSA-N 0 0 378.881 3.126 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c(C)nc2ccc(Br)cn21 ZINC000331588635 565768898 /nfs/dbraw/zinc/76/88/98/565768898.db2.gz AUTKWDFPQWELFY-LRDDRELGSA-N 0 0 378.270 3.116 20 30 GGEDRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccnc(C#N)c1 ZINC000193688739 565770092 /nfs/dbraw/zinc/77/00/92/565770092.db2.gz GENKUGLFDXWDGF-YVEFUNNKSA-N 0 0 386.249 3.318 20 30 GGEDRN Cc1csc(NC(=O)CSCC(=O)Nc2ccccc2SCC#N)n1 ZINC000282230796 565770515 /nfs/dbraw/zinc/77/05/15/565770515.db2.gz RVOUPHOQQBERPQ-UHFFFAOYSA-N 0 0 392.531 3.378 20 30 GGEDRN C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccnc(C#N)c1 ZINC000193688725 565770562 /nfs/dbraw/zinc/77/05/62/565770562.db2.gz GENKUGLFDXWDGF-SJKOYZFVSA-N 0 0 386.249 3.318 20 30 GGEDRN CC(C)(CC#N)CS(=O)(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000331620374 565771541 /nfs/dbraw/zinc/77/15/41/565771541.db2.gz SBKFVYWJOJIHPW-AWEZNQCLSA-N 0 0 381.567 3.471 20 30 GGEDRN Cc1nc(-c2cc3c(s2)CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C3)cs1 ZINC000282251123 565771611 /nfs/dbraw/zinc/77/16/11/565771611.db2.gz FRPSURVSVUPYDU-LLVKDONJSA-N 0 0 396.563 3.017 20 30 GGEDRN N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC(n3cc(Br)cn3)CC2)c1 ZINC000412094014 565771686 /nfs/dbraw/zinc/77/16/86/565771686.db2.gz KDDCRGCJDRFOET-ZWKOTPCHSA-N 0 0 399.292 3.484 20 30 GGEDRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000331639934 565773445 /nfs/dbraw/zinc/77/34/45/565773445.db2.gz SVDKDNFDXQDYKV-IAQYHMDHSA-N 0 0 382.894 3.424 20 30 GGEDRN C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000282293601 565773546 /nfs/dbraw/zinc/77/35/46/565773546.db2.gz LEMOQFGOGRHVPI-UXIGCNINSA-N 0 0 375.416 3.020 20 30 GGEDRN N#CC1(C(=O)N2CCC(c3ccc(Br)cc3)CC2)CCOCC1 ZINC000282314015 565773817 /nfs/dbraw/zinc/77/38/17/565773817.db2.gz MYAGEXFOPUAGIH-UHFFFAOYSA-N 0 0 377.282 3.475 20 30 GGEDRN Cc1onc(CC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1C#N ZINC000331640757 565773864 /nfs/dbraw/zinc/77/38/64/565773864.db2.gz PGAGVAMUBPFUIJ-MRXNPFEDSA-N 0 0 380.231 3.304 20 30 GGEDRN C[C@H](C#N)CNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000176460672 565774503 /nfs/dbraw/zinc/77/45/03/565774503.db2.gz GSDNZVARFSIXSA-SSDOTTSWSA-N 0 0 381.152 3.066 20 30 GGEDRN COc1cc(OC[C@H](O)COc2cccc(Br)c2)ccc1C#N ZINC000193766409 565775178 /nfs/dbraw/zinc/77/51/78/565775178.db2.gz PSEKLOREEYIFCC-CQSZACIVSA-N 0 0 378.222 3.148 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000193785696 565775573 /nfs/dbraw/zinc/77/55/73/565775573.db2.gz XLMRIFFSVGEIFF-VIFPVBQESA-N 0 0 392.175 3.215 20 30 GGEDRN C=CCn1c(SC[C@H](O)COCC)nnc1-c1ccc(Br)cc1 ZINC000193787349 565775723 /nfs/dbraw/zinc/77/57/23/565775723.db2.gz IALQCEHUWBSOAN-CQSZACIVSA-N 0 0 398.326 3.383 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)c3ccoc3Br)CC2)nc1 ZINC000193793001 565775988 /nfs/dbraw/zinc/77/59/88/565775988.db2.gz PEYNLEHLPITDNL-UHFFFAOYSA-N 0 0 390.237 3.429 20 30 GGEDRN CCSCCCN1C(=O)[C@H](CC(=O)NC)S/C1=N\[C@@H](C)c1cccs1 ZINC000282391029 565776481 /nfs/dbraw/zinc/77/64/81/565776481.db2.gz CINTYIXBMHPPOH-PJCYBFAGSA-N 0 0 399.607 3.388 20 30 GGEDRN CCSCCCN1C(=O)[C@H](CC(=O)NC)S/C1=N\[C@H](C)c1cccs1 ZINC000282391033 565777343 /nfs/dbraw/zinc/77/73/43/565777343.db2.gz CINTYIXBMHPPOH-UZLLHMFJSA-N 0 0 399.607 3.388 20 30 GGEDRN CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000193825508 565778026 /nfs/dbraw/zinc/77/80/26/565778026.db2.gz GPELXCNVKCXQAD-UHFFFAOYSA-N 0 0 398.271 3.124 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)NCc1ccccc1CS(C)(=O)=O ZINC000176513930 565779611 /nfs/dbraw/zinc/77/96/11/565779611.db2.gz VZIJYXXGTZQJPB-UHFFFAOYSA-N 0 0 378.519 3.191 20 30 GGEDRN Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1C(=O)N(C)C ZINC000176526540 565781663 /nfs/dbraw/zinc/78/16/63/565781663.db2.gz OOJNHWBJKFTHTM-UHFFFAOYSA-N 0 0 377.853 3.023 20 30 GGEDRN N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCCCn2cc(Br)cn2)c1 ZINC000412311105 565782024 /nfs/dbraw/zinc/78/20/24/565782024.db2.gz UAWWKEQVAXJHKS-DLBZAZTESA-N 0 0 387.281 3.217 20 30 GGEDRN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(C#N)c1Br ZINC000331791337 565783298 /nfs/dbraw/zinc/78/32/98/565783298.db2.gz HZGOWDVTZZOFBW-CYBMUJFWSA-N 0 0 388.269 3.301 20 30 GGEDRN C=C(Cl)C[S@](=O)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000176557582 565783563 /nfs/dbraw/zinc/78/35/63/565783563.db2.gz XPHUXOHLGMNMBP-QHCPKHFHSA-N 0 0 385.198 3.336 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)c2cc(Br)cn2CC)cc1 ZINC000193931195 565783510 /nfs/dbraw/zinc/78/35/10/565783510.db2.gz JKSFRXNSZUOKAL-UHFFFAOYSA-N 0 0 376.254 3.439 20 30 GGEDRN Cc1c(NC(=O)C(=O)N2CCC[C@@H]3CCC[C@H]32)ccc(Br)c1C#N ZINC000331778014 565783576 /nfs/dbraw/zinc/78/35/76/565783576.db2.gz KKIYEWAQCBNJLG-BLLLJJGKSA-N 0 0 390.281 3.359 20 30 GGEDRN N#CCCCC[S@@](=O)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000176557612 565783805 /nfs/dbraw/zinc/78/38/05/565783805.db2.gz PJXBPMCLKMUOQO-RUZDIDTESA-N 0 0 391.806 3.277 20 30 GGEDRN Cn1c(SCC(=O)N[C@@H](C#N)C2CCCCC2)nnc1-c1cccs1 ZINC000176575875 565785519 /nfs/dbraw/zinc/78/55/19/565785519.db2.gz KDLSDTBHMVAONP-ZDUSSCGKSA-N 0 0 375.523 3.224 20 30 GGEDRN CS(=O)(=O)c1cc(C(=O)N[C@H](C#N)C2CCCCC2)ccc1Br ZINC000176584917 565786077 /nfs/dbraw/zinc/78/60/77/565786077.db2.gz WEQAIJZQDFRUCM-CQSZACIVSA-N 0 0 399.310 3.055 20 30 GGEDRN N#CCC1(O)CN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)C1 ZINC000193979387 565786747 /nfs/dbraw/zinc/78/67/47/565786747.db2.gz BAGYVNBRTCCLAF-UHFFFAOYSA-N 0 0 377.263 3.278 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]3CCC[C@H]32)cc1Br ZINC000331830440 565787142 /nfs/dbraw/zinc/78/71/42/565787142.db2.gz XTVOYXGBHMKEQV-IAQYHMDHSA-N 0 0 376.254 3.050 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)CNC(=O)c1cccc(OC)c1 ZINC000193972838 565787470 /nfs/dbraw/zinc/78/74/70/565787470.db2.gz SVULNBLLWSELST-UHFFFAOYSA-N 0 0 378.881 3.355 20 30 GGEDRN N#Cc1ccnc(N2CCN(C(=O)NCc3cc(Cl)sc3Cl)CC2)c1 ZINC000331846230 565787727 /nfs/dbraw/zinc/78/77/27/565787727.db2.gz FZOGDMGZHPEIOP-UHFFFAOYSA-N 0 0 396.303 3.353 20 30 GGEDRN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H](C#N)C1CCCCC1 ZINC000176611913 565789851 /nfs/dbraw/zinc/78/98/51/565789851.db2.gz UJOUNGCVVIMULP-ZYHUDNBSSA-N 0 0 398.326 3.218 20 30 GGEDRN 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C=CCSCCNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000194624361 565826751 /nfs/dbraw/zinc/82/67/51/565826751.db2.gz FQMSWNTXLYEZIR-OAHLLOKOSA-N 0 0 385.327 3.451 20 30 GGEDRN N#CC1(C(=O)NC2CCN(Cc3cccc(Br)c3)CC2)CCC1 ZINC000412979711 565827259 /nfs/dbraw/zinc/82/72/59/565827259.db2.gz ZZCFZJNGHLCWPP-UHFFFAOYSA-N 0 0 376.298 3.224 20 30 GGEDRN Cc1c(NC(=O)c2cc(C#N)cs2)cccc1S(=O)(=O)NC(C)(C)C ZINC000177089170 565827554 /nfs/dbraw/zinc/82/75/54/565827554.db2.gz LZHKPISDQJBPNN-UHFFFAOYSA-N 0 0 377.491 3.257 20 30 GGEDRN C=CCSCCNC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000194625141 565827891 /nfs/dbraw/zinc/82/78/91/565827891.db2.gz UIHOUGKSTCUZRP-UHFFFAOYSA-N 0 0 381.929 3.117 20 30 GGEDRN Cc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)c(F)c3)C2)sc1C ZINC000332307569 565827994 /nfs/dbraw/zinc/82/79/94/565827994.db2.gz LONWDIMKPPBOTF-CQSZACIVSA-N 0 0 379.482 3.339 20 30 GGEDRN N#CCN1CCC(CNC(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC1 ZINC000332320101 565828944 /nfs/dbraw/zinc/82/89/44/565828944.db2.gz 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CC(C)(C#N)CCC[S@](=O)Cc1nnnn1-c1ccccc1Br ZINC000178034027 565890995 /nfs/dbraw/zinc/89/09/95/565890995.db2.gz TYFGFHDVCZVPBE-QHCPKHFHSA-N 0 0 396.314 3.003 20 30 GGEDRN C=C(C)CCc1noc(CCn2cnc3ccc(Br)cc3c2=O)n1 ZINC000285164887 565891493 /nfs/dbraw/zinc/89/14/93/565891493.db2.gz PTJMTPPNLMYKLT-UHFFFAOYSA-N 0 0 389.253 3.293 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCSC[C@@H]2C2CC2)c(C(F)(F)F)c1 ZINC000333674564 565891587 /nfs/dbraw/zinc/89/15/87/565891587.db2.gz JPTVHOAIRZTBCQ-CYBMUJFWSA-N 0 0 376.425 3.093 20 30 GGEDRN CSC[C@](C)(C#N)NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000285155886 565891704 /nfs/dbraw/zinc/89/17/04/565891704.db2.gz RUUJCTSSAGEUTQ-NSHDSACASA-N 0 0 383.720 3.026 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nncn1CCc1cccs1 ZINC000198269409 565893483 /nfs/dbraw/zinc/89/34/83/565893483.db2.gz SPECVCGXTFYWGP-CXAGYDPISA-N 0 0 377.539 3.117 20 30 GGEDRN C=CCN1C(=O)/C(=C\c2ccc(OC(=O)C3CC3)c(OC)c2)SC1=S ZINC000211401662 565895035 /nfs/dbraw/zinc/89/50/35/565895035.db2.gz 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C=CCOc1c(Br)cc(CN=c2nc[nH]n2C(C)C)cc1OC ZINC000414324409 565910873 /nfs/dbraw/zinc/91/08/73/565910873.db2.gz VUDIQDSUZLXNLN-UHFFFAOYSA-N 0 0 381.274 3.229 20 30 GGEDRN CC(C)(C#N)NC(=O)c1cc(Br)ccc1I ZINC000225465900 565915058 /nfs/dbraw/zinc/91/50/58/565915058.db2.gz HQEYLSVDWOWXDC-UHFFFAOYSA-N 0 0 393.022 3.086 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000178394855 565916060 /nfs/dbraw/zinc/91/60/60/565916060.db2.gz DZALQABLNDHBFF-UHFFFAOYSA-N 0 0 386.249 3.388 20 30 GGEDRN C=CCOC[C@H]1NC(=O)N(c2cc(Br)cc(C(F)(F)F)c2)C1=O ZINC000348663926 565916714 /nfs/dbraw/zinc/91/67/14/565916714.db2.gz NAOIZNBQVODBKL-LLVKDONJSA-N 0 0 393.159 3.095 20 30 GGEDRN C=CCOC[C@@H]1NC(=O)N(c2ccc(Sc3nc(C)cs3)cc2)C1=O ZINC000348670182 565916790 /nfs/dbraw/zinc/91/67/90/565916790.db2.gz UTRMCQUUSQGVGD-AWEZNQCLSA-N 0 0 375.475 3.230 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000178408903 565917572 /nfs/dbraw/zinc/91/75/72/565917572.db2.gz NRKVUYNWNVYFHD-LBPRGKRZSA-N 0 0 386.249 3.445 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O ZINC000348736762 565918285 /nfs/dbraw/zinc/91/82/85/565918285.db2.gz XKPXIMKGUXRTTB-QEJZJMRPSA-N 0 0 379.254 3.023 20 30 GGEDRN N#Cc1ncn(CC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)n1 ZINC000178427070 565918667 /nfs/dbraw/zinc/91/86/67/565918667.db2.gz YOHSONWJYGBAJE-UHFFFAOYSA-N 0 0 393.259 3.143 20 30 GGEDRN C[C@@H](C#N)CNC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000178460225 565920852 /nfs/dbraw/zinc/92/08/52/565920852.db2.gz RJOBKHRULPJMEA-JTQLQIEISA-N 0 0 376.214 3.313 20 30 GGEDRN N#C[C@@]1(NC(=O)c2ccc(I)c(Cl)c2)CCSC1 ZINC000226788909 565920971 /nfs/dbraw/zinc/92/09/71/565920971.db2.gz WRUDNVWXUBNGAF-LBPRGKRZSA-N 0 0 392.649 3.074 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000178531414 565924210 /nfs/dbraw/zinc/92/42/10/565924210.db2.gz ASGBOHRCKFTUPH-SJLPKXTDSA-N 0 0 376.865 3.410 20 30 GGEDRN C=C[C@H](C)NC(=O)c1cc(Br)ccc1I ZINC000229064277 565925775 /nfs/dbraw/zinc/92/57/75/565925775.db2.gz WMRHJYVMCKEEEO-ZETCQYMHSA-N 0 0 380.023 3.358 20 30 GGEDRN C=C(C)CN(CC)C(=O)CS(=O)(=O)Cc1cc(Br)ccc1C ZINC000414426768 565930116 /nfs/dbraw/zinc/93/01/16/565930116.db2.gz QIMIZJINANBHKI-UHFFFAOYSA-N 0 0 388.327 3.097 20 30 GGEDRN CC(C)C[C@@H](NC(=O)c1cc(C#N)ccc1Cl)C(=O)Nc1nccs1 ZINC000285886295 565931169 /nfs/dbraw/zinc/93/11/69/565931169.db2.gz SXZDNMAROFASKO-CQSZACIVSA-N 0 0 376.869 3.451 20 30 GGEDRN C[S@@](=O)Cc1noc(C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)n1 ZINC000350088933 565931934 /nfs/dbraw/zinc/93/19/34/565931934.db2.gz VAGHCRSUGVULLN-RUZDIDTESA-N 0 0 378.885 3.031 20 30 GGEDRN C=CCN1CCC(NS(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000178685612 565932629 /nfs/dbraw/zinc/93/26/29/565932629.db2.gz ILDQDXGBKSTGAL-UHFFFAOYSA-N 0 0 393.734 3.031 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccc(Br)cc1 ZINC000178826852 565940713 /nfs/dbraw/zinc/94/07/13/565940713.db2.gz DYEVWYHQHPIFJR-JTQLQIEISA-N 0 0 390.212 3.276 20 30 GGEDRN N#Cc1ccnc(N2CCN(Cc3nc4cc(Br)ccc4o3)CC2)c1 ZINC000286152850 565944816 /nfs/dbraw/zinc/94/48/16/565944816.db2.gz XNRUAOYPIDKGSA-UHFFFAOYSA-N 0 0 398.264 3.179 20 30 GGEDRN C=CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](CF)C1 ZINC000414528592 565945027 /nfs/dbraw/zinc/94/50/27/565945027.db2.gz OWSDXTQOPMVOOZ-JTQLQIEISA-N 0 0 387.278 3.130 20 30 GGEDRN C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](CO)[C@H]1C ZINC000414526440 565945176 /nfs/dbraw/zinc/94/51/76/565945176.db2.gz KLGMDKPBSBKYAK-HIFRSBDPSA-N 0 0 391.313 3.491 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1c1nc(CS(=O)(=O)Cc2ccc(Cl)cc2)no1 ZINC000351175244 565947523 /nfs/dbraw/zinc/94/75/23/565947523.db2.gz SSUWISOUUDPZFQ-GDBMZVCRSA-N 0 0 382.869 3.287 20 30 GGEDRN CCC[C@H](CNC(=O)CN1CCOC[C@@H]1C#N)c1ccc(Cl)cc1Cl ZINC000178987102 565951125 /nfs/dbraw/zinc/95/11/25/565951125.db2.gz YDFGFORDYAPTIG-HIFRSBDPSA-N 0 0 384.307 3.218 20 30 GGEDRN CCC[C@@H](CNC(=O)CN1CCOC[C@@H]1C#N)c1ccc(Cl)cc1Cl ZINC000178987088 565951220 /nfs/dbraw/zinc/95/12/20/565951220.db2.gz YDFGFORDYAPTIG-ZFWWWQNUSA-N 0 0 384.307 3.218 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CN1C(=O)[C@@H](c2cccc(Br)c2)N(C)C1=O ZINC000286287457 565951668 /nfs/dbraw/zinc/95/16/68/565951668.db2.gz MGBYFVUWBHWDRP-BMFZPTHFSA-N 0 0 393.281 3.365 20 30 GGEDRN Cc1nc(C(=O)NC(C)(C)COc2ncccc2Br)ccc1C#N ZINC000179006967 565952187 /nfs/dbraw/zinc/95/21/87/565952187.db2.gz JRWTUBYWOUNHDN-UHFFFAOYSA-N 0 0 389.253 3.007 20 30 GGEDRN COc1ccc(S(=O)(=O)Nc2cccc(C#N)c2C)cc1Br ZINC000179025632 565953116 /nfs/dbraw/zinc/95/31/16/565953116.db2.gz NVOURSWKASCHNQ-UHFFFAOYSA-N 0 0 381.251 3.439 20 30 GGEDRN Cc1c(C#N)cccc1NS(=O)(=O)c1cccc(I)c1 ZINC000179028441 565953514 /nfs/dbraw/zinc/95/35/14/565953514.db2.gz BBKGNIYKCCNQFM-UHFFFAOYSA-N 0 0 398.225 3.272 20 30 GGEDRN N#Cc1ccc(OC[C@@H](O)COc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000179037487 565954132 /nfs/dbraw/zinc/95/41/32/565954132.db2.gz LLJJUOJJBIAOQW-ZDUSSCGKSA-N 0 0 393.193 3.048 20 30 GGEDRN COc1cc(C#N)ccc1OC[C@H](O)COc1cccc(Br)c1 ZINC000179051477 565955872 /nfs/dbraw/zinc/95/58/72/565955872.db2.gz YVLTXAPYCMSESM-CQSZACIVSA-N 0 0 378.222 3.148 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC(n2cc(Cl)cn2)CC1 ZINC000361106312 565964438 /nfs/dbraw/zinc/96/44/38/565964438.db2.gz NYUIJAFADFOVEA-UHFFFAOYSA-N 0 0 385.276 3.087 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC(Cc3cccnc3)CC2)c(Cl)c1 ZINC000361103781 565964629 /nfs/dbraw/zinc/96/46/29/565964629.db2.gz IHNKEUHVLUWQQI-UHFFFAOYSA-N 0 0 375.881 3.250 20 30 GGEDRN Cc1nc(C(=O)Nc2cnn(-c3ccccc3Br)c2)ccc1C#N ZINC000179242894 565968161 /nfs/dbraw/zinc/96/81/61/565968161.db2.gz KVXMNXYHCMCEBC-UHFFFAOYSA-N 0 0 382.221 3.462 20 30 GGEDRN N#CCCN(Cc1cccnc1)S(=O)(=O)Cc1cccc(Br)c1 ZINC000286570351 565968299 /nfs/dbraw/zinc/96/82/99/565968299.db2.gz IYMGOKBHVFPKQN-UHFFFAOYSA-N 0 0 394.294 3.090 20 30 GGEDRN N#Cc1cc(Br)ccc1CSc1nnc(CN2CCCC2=O)o1 ZINC000286598254 565969350 /nfs/dbraw/zinc/96/93/50/565969350.db2.gz OAZJZVHFJRXKQO-UHFFFAOYSA-N 0 0 393.266 3.118 20 30 GGEDRN C=CCSCCNS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000179320250 565972296 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Cn1ncc(C(=O)Nc2ccc(-c3cccc(Br)c3)cn2)c1C#N ZINC000482499391 566312252 /nfs/dbraw/zinc/31/22/52/566312252.db2.gz NYPQXPQFEFGAGX-UHFFFAOYSA-N 0 0 382.221 3.369 20 30 GGEDRN N#Cc1cnccc1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000509524999 566312473 /nfs/dbraw/zinc/31/24/73/566312473.db2.gz NLRYSWATOOXBJJ-UHFFFAOYSA-N 0 0 386.127 3.289 20 30 GGEDRN O=C(CCOCC(F)(F)C(F)(F)F)NCc1c(F)cc(F)c(F)c1F ZINC000509505340 566312736 /nfs/dbraw/zinc/31/27/36/566312736.db2.gz OHYZZVMZPSCWDU-UHFFFAOYSA-N 0 0 383.210 3.464 20 30 GGEDRN N#C[C@@H]1N(S(=O)(=O)Cc2c(F)cccc2Cl)CCC[C@@]12CCCCO2 ZINC000576076423 566313452 /nfs/dbraw/zinc/31/34/52/566313452.db2.gz FKNJUPOVIRUWSL-IRXDYDNUSA-N 0 0 386.876 3.236 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)CN1CCc2c(Br)cccc2[C@@H]1C ZINC000509504554 566313443 /nfs/dbraw/zinc/31/34/43/566313443.db2.gz BLLDIIHYRKBHHM-UGSOOPFHSA-N 0 0 378.314 3.423 20 30 GGEDRN CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@H](CC)O1 ZINC000420739095 566313538 /nfs/dbraw/zinc/31/35/38/566313538.db2.gz 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ZINC000482553012 566318390 /nfs/dbraw/zinc/31/83/90/566318390.db2.gz FOPNIADPZBEJPV-UHFFFAOYSA-N 0 0 381.173 3.198 20 30 GGEDRN Cc1sc2nc(CS[C@H](C)C(=O)N3CC(C)(C#N)C3)[nH]c(=O)c2c1C ZINC000482600049 566319882 /nfs/dbraw/zinc/31/98/82/566319882.db2.gz XNZLYKMOLROXCB-LLVKDONJSA-N 0 0 376.507 3.008 20 30 GGEDRN CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1csc(C(=O)OC)c1 ZINC000462545877 566320786 /nfs/dbraw/zinc/32/07/86/566320786.db2.gz FBWVGDRIYPDLIZ-GFCCVEGCSA-N 0 0 378.475 3.178 20 30 GGEDRN CC1(C#N)CN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)C1 ZINC000482604942 566320834 /nfs/dbraw/zinc/32/08/34/566320834.db2.gz GKAOWGLWDQGUOG-UHFFFAOYSA-N 0 0 385.265 3.109 20 30 GGEDRN N#Cc1cc(F)c(NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1Br ZINC000576172376 566321135 /nfs/dbraw/zinc/32/11/35/566321135.db2.gz KUWDXGORWROTSC-ZBEGNZNMSA-N 0 0 383.261 3.439 20 30 GGEDRN C=CCOc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000509619082 566321430 /nfs/dbraw/zinc/32/14/30/566321430.db2.gz FNWJDXYTDFONAY-UHFFFAOYSA-N 0 0 382.825 3.292 20 30 GGEDRN N#Cc1cc(F)c(NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1Br ZINC000576172373 566321868 /nfs/dbraw/zinc/32/18/68/566321868.db2.gz KUWDXGORWROTSC-BDJLRTHQSA-N 0 0 383.261 3.439 20 30 GGEDRN N#C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1cccc(Br)c1 ZINC000535734570 566321799 /nfs/dbraw/zinc/32/17/99/566321799.db2.gz MIGPIGFWFHIXNY-YOEHRIQHSA-N 0 0 398.260 3.183 20 30 GGEDRN CCOC(=O)c1sc([C@H](C)NC(=O)NCc2ccc(C#N)s2)nc1C ZINC000420821909 566321942 /nfs/dbraw/zinc/32/19/42/566321942.db2.gz YLWOVQWOJFAVHL-JTQLQIEISA-N 0 0 378.479 3.122 20 30 GGEDRN C[C@@H](N[C@@H](C)c1csnn1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000576207227 566324598 /nfs/dbraw/zinc/32/45/98/566324598.db2.gz YCMRZDKHGRBRDW-WDEREUQCSA-N 0 0 375.523 3.418 20 30 GGEDRN CN1CCO[C@@H]([C@H](NC(=O)c2ccc(C#N)s2)c2ccc(Cl)cc2)C1 ZINC000535743966 566324806 /nfs/dbraw/zinc/32/48/06/566324806.db2.gz ONRWXRZNORERKR-NVXWUHKLSA-N 0 0 375.881 3.075 20 30 GGEDRN Cc1nsc(N2CCN(C(=O)[C@H](C)c3ccc(Cl)s3)CC2)c1C#N ZINC000576199763 566324815 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N#Cc1cnc(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c(Cl)c1 ZINC000482724714 566327971 /nfs/dbraw/zinc/32/79/71/566327971.db2.gz RMPPGRDMXRLDOI-LLVKDONJSA-N 0 0 379.222 3.408 20 30 GGEDRN C=CCn1c(COC)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000669808092 566328570 /nfs/dbraw/zinc/32/85/70/566328570.db2.gz AFZKGFRSHJYFHS-OAHLLOKOSA-N 0 0 383.279 3.495 20 30 GGEDRN N#Cc1cnc(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c(Cl)c1 ZINC000482724718 566328716 /nfs/dbraw/zinc/32/87/16/566328716.db2.gz RMPPGRDMXRLDOI-NSHDSACASA-N 0 0 379.222 3.408 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)COc2ccsc2Cl)CC1 ZINC000556767611 566329081 /nfs/dbraw/zinc/32/90/81/566329081.db2.gz DVNZZWLHCJBULT-OAHLLOKOSA-N 0 0 375.881 3.189 20 30 GGEDRN C=CCn1c(COC)nnc1N(C)Cc1cc(OC)ccc1Br ZINC000669816178 566329078 /nfs/dbraw/zinc/32/90/78/566329078.db2.gz CKUHVUVTCRATDW-UHFFFAOYSA-N 0 0 381.274 3.018 20 30 GGEDRN CN(C[C@@H]1OCCc2ccccc21)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000509694734 566330000 /nfs/dbraw/zinc/33/00/00/566330000.db2.gz BUJYNALVVLLURU-SFHVURJKSA-N 0 0 376.865 3.146 20 30 GGEDRN CN(C[C@H]1OCCc2ccccc21)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000509694732 566330069 /nfs/dbraw/zinc/33/00/69/566330069.db2.gz BUJYNALVVLLURU-GOSISDBHSA-N 0 0 376.865 3.146 20 30 GGEDRN C[C@@H](C(=O)NCC(=O)Nc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000462603021 566332177 /nfs/dbraw/zinc/33/21/77/566332177.db2.gz NOXOFFNOJWNHMT-GFCCVEGCSA-N 0 0 386.249 3.179 20 30 GGEDRN COCC1(C#N)CCN(S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000509721474 566333091 /nfs/dbraw/zinc/33/30/91/566333091.db2.gz WZPLDNVEZBJEQS-UHFFFAOYSA-N 0 0 396.818 3.300 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCC2(c3ccc(Cl)cc3)CCCC2)cn1 ZINC000509759152 566335080 /nfs/dbraw/zinc/33/50/80/566335080.db2.gz CSKXITINBMHTRM-UHFFFAOYSA-N 0 0 375.881 3.397 20 30 GGEDRN C[C@H](CNC(=O)CNc1ccc(C#N)cc1)Oc1ccccc1Br ZINC000482813319 566336449 /nfs/dbraw/zinc/33/64/49/566336449.db2.gz GHIUNXBNOUXIKO-CYBMUJFWSA-N 0 0 388.265 3.316 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)cc1 ZINC000576335416 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ZINC000536551788 566383359 /nfs/dbraw/zinc/38/33/59/566383359.db2.gz BCSCEKPVSUJTCG-INIZCTEOSA-N 0 0 398.264 3.342 20 30 GGEDRN N#CC1(F)CCN(S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000510435942 566383427 /nfs/dbraw/zinc/38/34/27/566383427.db2.gz NMTUDFSWPGEADX-UHFFFAOYSA-N 0 0 381.654 3.119 20 30 GGEDRN CC#CCCNC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000483429523 566383892 /nfs/dbraw/zinc/38/38/92/566383892.db2.gz RYKJFMLEARIHDB-UHFFFAOYSA-N 0 0 392.297 3.223 20 30 GGEDRN C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCCOCC1 ZINC000463099500 566384056 /nfs/dbraw/zinc/38/40/56/566384056.db2.gz RGWHRALRJDGEPN-UHFFFAOYSA-N 0 0 381.249 3.259 20 30 GGEDRN CC(C)(C)Oc1ccc(NC(=O)c2ccc(S(C)(=O)=O)s2)cc1C#N ZINC000421569349 566384612 /nfs/dbraw/zinc/38/46/12/566384612.db2.gz LKLPRWNGRZFKJL-UHFFFAOYSA-N 0 0 378.475 3.453 20 30 GGEDRN CN(CCn1cc(Br)cn1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000576853666 566385001 /nfs/dbraw/zinc/38/50/01/566385001.db2.gz KBURZYSWPQDYSR-UHFFFAOYSA-N 0 0 382.649 3.335 20 30 GGEDRN Cc1nc2ccc(Br)cn2c1C(=O)[C@H](C#N)c1cc(C)nc(C)n1 ZINC000483454522 566385226 /nfs/dbraw/zinc/38/52/26/566385226.db2.gz XUXXXVKPGGMLFD-CYBMUJFWSA-N 0 0 384.237 3.302 20 30 GGEDRN O=S(=O)(CC1CC(F)(F)C1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000649676966 566385344 /nfs/dbraw/zinc/38/53/44/566385344.db2.gz PJINTQZANGUDQN-RKDXNWHRSA-N 0 0 389.308 3.424 20 30 GGEDRN N#Cc1ccc(CNC(=O)Cc2cc3c(cc2Br)OCCO3)s1 ZINC000421601623 566386844 /nfs/dbraw/zinc/38/68/44/566386844.db2.gz POOLSUKDOLQHAG-UHFFFAOYSA-N 0 0 393.262 3.012 20 30 GGEDRN COc1ccc(CSCC(=O)NCc2ccc(C#N)s2)cc1[N+](=O)[O-] ZINC000421601478 566387231 /nfs/dbraw/zinc/38/72/31/566387231.db2.gz PESIXGNWQMNOHL-UHFFFAOYSA-N 0 0 377.447 3.086 20 30 GGEDRN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)s1 ZINC000421599975 566387655 /nfs/dbraw/zinc/38/76/55/566387655.db2.gz IAYLQFMFUMOYHI-MRXNPFEDSA-N 0 0 375.881 3.344 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)Nc2ccc(O)c(Cl)c2)cc1 ZINC000483504465 566387847 /nfs/dbraw/zinc/38/78/47/566387847.db2.gz OTUTXEABUFBWPR-SNVBAGLBSA-N 0 0 379.825 3.375 20 30 GGEDRN CC[C@H]1CCCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000576906370 566388003 /nfs/dbraw/zinc/38/80/03/566388003.db2.gz GVNXFKVAUSCZJG-NSHDSACASA-N 0 0 375.263 3.413 20 30 GGEDRN N#Cc1ccc(CNC(=O)C[S@@](=O)Cc2cccc(Cl)c2Cl)cc1 ZINC000447136554 566388806 /nfs/dbraw/zinc/38/88/06/566388806.db2.gz CBPWLNWGDDBPLX-DEOSSOPVSA-N 0 0 381.284 3.430 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCc2ccc(F)cc2Cl)c1 ZINC000447142122 566389352 /nfs/dbraw/zinc/38/93/52/566389352.db2.gz IWWNDGIBWPGZQO-UHFFFAOYSA-N 0 0 380.206 3.302 20 30 GGEDRN Cc1sc(CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)nc1C(C)C ZINC000447143162 566390442 /nfs/dbraw/zinc/39/04/42/566390442.db2.gz XAGGVEPFFPFSPV-UHFFFAOYSA-N 0 0 376.869 3.355 20 30 GGEDRN CSc1ccc(F)cc1CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000447149148 566391082 /nfs/dbraw/zinc/39/10/82/566391082.db2.gz SMMJCDLFNJUKRN-UHFFFAOYSA-N 0 0 377.828 3.328 20 30 GGEDRN Cc1ccsc1CCNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000483593310 566392134 /nfs/dbraw/zinc/39/21/34/566392134.db2.gz PQYGKJIXFOCHHT-CYBMUJFWSA-N 0 0 377.491 3.107 20 30 GGEDRN CC[C@H](CC(F)(F)F)NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000483577557 566392197 /nfs/dbraw/zinc/39/21/97/566392197.db2.gz SCLUWXNJLNYHNM-WDEREUQCSA-N 0 0 377.388 3.225 20 30 GGEDRN C=CCN(C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O)C1CC1 ZINC000463225079 566393067 /nfs/dbraw/zinc/39/30/67/566393067.db2.gz NYMRSUQEOSNCOQ-INIZCTEOSA-N 0 0 392.297 3.223 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000510549331 566393101 /nfs/dbraw/zinc/39/31/01/566393101.db2.gz DAJONFMYLOUSQJ-INIZCTEOSA-N 0 0 385.272 3.267 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1ccncc1CC ZINC000557522817 566393463 /nfs/dbraw/zinc/39/34/63/566393463.db2.gz OOGULZIGFPZBGK-UHFFFAOYSA-N 0 0 377.897 3.190 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)NCCc2nc3cc(Cl)ccc3s2)cc1 ZINC000557535993 566394052 /nfs/dbraw/zinc/39/40/52/566394052.db2.gz YDNVJHNZEQWWJB-UHFFFAOYSA-N 0 0 391.905 3.483 20 30 GGEDRN N#CC1(CNS(=O)(=O)Cc2cc(Cl)ccc2Br)CCC1 ZINC000576983480 566394217 /nfs/dbraw/zinc/39/42/17/566394217.db2.gz SGVZJJSBJKLUJO-UHFFFAOYSA-N 0 0 377.691 3.216 20 30 GGEDRN N#Cc1ccsc1NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000447204338 566395699 /nfs/dbraw/zinc/39/56/99/566395699.db2.gz RSNMHTWPXCMRSX-NSHDSACASA-N 0 0 376.235 3.447 20 30 GGEDRN CC(=O)Nc1nnc(Sc2c(C#N)cnc3c(F)c(F)c(F)cc32)s1 ZINC000557563279 566396115 /nfs/dbraw/zinc/39/61/15/566396115.db2.gz IWWIKCQTTBSOAL-UHFFFAOYSA-N 0 0 381.364 3.485 20 30 GGEDRN O=S(=O)(CC1CC(F)(F)C1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000649817006 566396012 /nfs/dbraw/zinc/39/60/12/566396012.db2.gz TVZFHNMBYGTTPH-OCAPTIKFSA-N 0 0 375.281 3.034 20 30 GGEDRN N#CCN1CCC[C@H](CNC(=O)CCC(=O)c2cc(Cl)sc2Cl)C1 ZINC000447228080 566396900 /nfs/dbraw/zinc/39/69/00/566396900.db2.gz CLXRRFSEQYGBRB-LLVKDONJSA-N 0 0 388.320 3.370 20 30 GGEDRN N#CCCN1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000601261784 566397171 /nfs/dbraw/zinc/39/71/71/566397171.db2.gz NFMSQELGRRGNSL-UHFFFAOYSA-N 0 0 378.299 3.003 20 30 GGEDRN COCC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(C)(C)C ZINC000510600336 566397395 /nfs/dbraw/zinc/39/73/95/566397395.db2.gz NIZNMUPKTXWVPJ-CQSZACIVSA-N 0 0 378.416 3.307 20 30 GGEDRN COCC[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C(C)(C)C ZINC000510598184 566397524 /nfs/dbraw/zinc/39/75/24/566397524.db2.gz GBTHMSWKHADHCV-AWEZNQCLSA-N 0 0 389.315 3.050 20 30 GGEDRN C=CCn1c(SCC(=O)N(C)CC)nnc1-c1ccc(Br)cc1 ZINC000510593604 566397728 /nfs/dbraw/zinc/39/77/28/566397728.db2.gz RIMHHHKIQPJJGI-UHFFFAOYSA-N 0 0 395.326 3.464 20 30 GGEDRN N#Cc1ccc([C@@H](C(N)=O)N2CCc3cc(Br)cc(F)c3C2)cc1 ZINC000557580762 566397865 /nfs/dbraw/zinc/39/78/65/566397865.db2.gz DSKWWZGOUNCKMN-KRWDZBQOSA-N 0 0 388.240 3.045 20 30 GGEDRN COCC[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C(C)(C)C ZINC000510598084 566397975 /nfs/dbraw/zinc/39/79/75/566397975.db2.gz GIGIIPGBXUDJOS-AWEZNQCLSA-N 0 0 378.416 3.307 20 30 GGEDRN N#Cc1ccc([C@H](C(N)=O)N2CCc3cc(Br)cc(F)c3C2)cc1 ZINC000557580764 566398328 /nfs/dbraw/zinc/39/83/28/566398328.db2.gz DSKWWZGOUNCKMN-QGZVFWFLSA-N 0 0 388.240 3.045 20 30 GGEDRN Cc1cc(Cl)c(Br)cc1S(=O)(=O)N(CCC#N)CCC#N ZINC000601347256 566400099 /nfs/dbraw/zinc/40/00/99/566400099.db2.gz DFIATRXOXXUPCA-UHFFFAOYSA-N 0 0 390.690 3.229 20 30 GGEDRN CCC(CC)C(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1CC ZINC000447268905 566400054 /nfs/dbraw/zinc/40/00/54/566400054.db2.gz YAZWHTGQZZRDKI-UHFFFAOYSA-N 0 0 394.949 3.153 20 30 GGEDRN CCCn1c(=O)c(=Cc2cc(Cl)cs2)sc1=C(C#N)C(=O)[C@H](C)CC ZINC000447269158 566400208 /nfs/dbraw/zinc/40/02/08/566400208.db2.gz ZQQTZUHWYFTXLF-LLVKDONJSA-N 0 0 394.949 3.153 20 30 GGEDRN N#CCc1ccccc1S(=O)(=O)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000601360975 566401555 /nfs/dbraw/zinc/40/15/55/566401555.db2.gz ABNDHOZLNUCRSK-PHIMTYICSA-N 0 0 386.317 3.114 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1CCc1cc(Cl)cc(Cl)c1 ZINC000447297643 566401968 /nfs/dbraw/zinc/40/19/68/566401968.db2.gz ALGVZIHUDYCCIU-CYBMUJFWSA-N 0 0 376.291 3.408 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Br)cc1F ZINC000510663696 566402207 /nfs/dbraw/zinc/40/22/07/566402207.db2.gz NRQWBBQWLIRPPQ-SNVBAGLBSA-N 0 0 383.242 3.499 20 30 GGEDRN Cc1cc(C)c(C(=O)[C@@H](C#N)c2ccncn2)cc1I ZINC000483806152 566402698 /nfs/dbraw/zinc/40/26/98/566402698.db2.gz KFBDNZQBTFEVEK-LBPRGKRZSA-N 0 0 377.185 3.188 20 30 GGEDRN CN(Cc1ccc(Br)cc1Cl)C(=O)N=c1ccn(CCC#N)[nH]1 ZINC000483799118 566402878 /nfs/dbraw/zinc/40/28/78/566402878.db2.gz NMSGZQRUVUMJHU-UHFFFAOYSA-N 0 0 396.676 3.298 20 30 GGEDRN Cn1ncc(C(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)c1C#N ZINC000421711760 566403375 /nfs/dbraw/zinc/40/33/75/566403375.db2.gz BBGDYBIFMVJYQC-OAHLLOKOSA-N 0 0 387.281 3.292 20 30 GGEDRN CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)c(C#N)cn1CC ZINC000421724040 566403542 /nfs/dbraw/zinc/40/35/42/566403542.db2.gz ZAYDNJXTDHPTGE-UHFFFAOYSA-N 0 0 380.198 3.164 20 30 GGEDRN CCOC(=O)c1c(NC(=O)c2occc2Br)c(C#N)cn1CC ZINC000421725180 566404486 /nfs/dbraw/zinc/40/44/86/566404486.db2.gz HMNUIDBOACFHKC-UHFFFAOYSA-N 0 0 380.198 3.164 20 30 GGEDRN C[C@H](NS(=O)(=O)c1ccccc1CC#N)c1nc(C(F)(F)F)cs1 ZINC000601406216 566405097 /nfs/dbraw/zinc/40/50/97/566405097.db2.gz ZCYMMUJZNRHVPE-VIFPVBQESA-N 0 0 375.397 3.267 20 30 GGEDRN CCOC(=O)c1c(NC(=O)C(=O)c2ccc(Cl)s2)c(C#N)cn1CC ZINC000421727654 566405065 /nfs/dbraw/zinc/40/50/65/566405065.db2.gz ZDCVUYWUXDGKSF-UHFFFAOYSA-N 0 0 379.825 3.093 20 30 GGEDRN C=CC[C@H](CO)CNC(=O)c1cc(Br)c(C)cc1Br ZINC000626361253 566405365 /nfs/dbraw/zinc/40/53/65/566405365.db2.gz BSCALUYNLNGNCG-JTQLQIEISA-N 0 0 391.103 3.434 20 30 GGEDRN CC(C)(C#N)CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000510698240 566405476 /nfs/dbraw/zinc/40/54/76/566405476.db2.gz JLJJJTWRPJTYGM-UHFFFAOYSA-N 0 0 375.828 3.302 20 30 GGEDRN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC#Cc1ccccc1 ZINC000483909304 566406663 /nfs/dbraw/zinc/40/66/63/566406663.db2.gz URILECMXFOFGAM-UHFFFAOYSA-N 0 0 377.227 3.108 20 30 GGEDRN 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Cc1c(C#N)cccc1NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000578942752 566566775 /nfs/dbraw/zinc/56/67/75/566566775.db2.gz KFJOXTLMPRSLEO-UHFFFAOYSA-N 0 0 398.271 3.091 20 30 GGEDRN C[C@H](Cc1cc(Br)ccc1F)NS(=O)(=O)CCC(C)(C)C#N ZINC000578938872 566566894 /nfs/dbraw/zinc/56/68/94/566566894.db2.gz OHZIHGOPDIXZHF-LLVKDONJSA-N 0 0 391.306 3.378 20 30 GGEDRN COc1ccc(Br)c([C@H](CO)N(C)Cc2cccc(C#N)c2)c1 ZINC000449472811 566567414 /nfs/dbraw/zinc/56/74/14/566567414.db2.gz QUNSOUKKNZPHAO-SFHVURJKSA-N 0 0 375.266 3.495 20 30 GGEDRN C=CCCn1cc(C(=O)N(Cc2csc(Br)c2)C2CC2)nn1 ZINC000424773291 566567910 /nfs/dbraw/zinc/56/79/10/566567910.db2.gz QCYPHIQQHPBPTD-UHFFFAOYSA-N 0 0 381.299 3.483 20 30 GGEDRN COc1ccc(Br)c([C@@H](CO)N(C)Cc2ccc(C#N)cc2)c1 ZINC000449471554 566568075 /nfs/dbraw/zinc/56/80/75/566568075.db2.gz MVHMJLYLKAFLKD-GOSISDBHSA-N 0 0 375.266 3.495 20 30 GGEDRN N#C[C@H]1CSCCN1S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000539220742 566568782 /nfs/dbraw/zinc/56/87/82/566568782.db2.gz 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CC[C@H](C#N)S(=O)(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000579258031 566593079 /nfs/dbraw/zinc/59/30/79/566593079.db2.gz XVQNDWCIVCYZSA-OAHLLOKOSA-N 0 0 378.475 3.158 20 30 GGEDRN N#Cc1ccnc(N[C@H]2CSc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000486482138 566593035 /nfs/dbraw/zinc/59/30/35/566593035.db2.gz YIEWFKQLKUSZGE-NSHDSACASA-N 0 0 377.223 3.305 20 30 GGEDRN Cc1cc(F)cc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000674416500 566593576 /nfs/dbraw/zinc/59/35/76/566593576.db2.gz RKQZFEASAHQHFA-PHIMTYICSA-N 0 0 379.297 3.495 20 30 GGEDRN C[C@H](COCC(F)(F)F)NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674429437 566593711 /nfs/dbraw/zinc/59/37/11/566593711.db2.gz STGRYJBFWXMKKX-BWZBUEFSSA-N 0 0 390.246 3.336 20 30 GGEDRN Cn1ncc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1C(F)(F)F ZINC000674471948 566594522 /nfs/dbraw/zinc/59/45/22/566594522.db2.gz KRJCOKCXNJXZEF-RNFRBKRXSA-N 0 0 383.214 3.252 20 30 GGEDRN CC(C)N(CC(F)(F)F)C(=O)CN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674461994 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C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCc2ccc(Br)cc2C1 ZINC000560109445 566598501 /nfs/dbraw/zinc/59/85/01/566598501.db2.gz QZWYAEXTCHOBFV-RHSMWYFYSA-N 0 0 379.298 3.498 20 30 GGEDRN N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000539766982 566599537 /nfs/dbraw/zinc/59/95/37/566599537.db2.gz ZDRLZWOEVYAORY-ZDUSSCGKSA-N 0 0 396.299 3.422 20 30 GGEDRN Cc1nc(C)c(C(=O)COc2ccc(C#N)cc2I)o1 ZINC000539741524 566599652 /nfs/dbraw/zinc/59/96/52/566599652.db2.gz UWCYASBTKUFJMG-UHFFFAOYSA-N 0 0 382.157 3.029 20 30 GGEDRN O=C(Nc1ccn(CC(F)F)n1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674571885 566599731 /nfs/dbraw/zinc/59/97/31/566599731.db2.gz BYPIJIGRSJONFU-KNVOCYPGSA-N 0 0 380.239 3.353 20 30 GGEDRN O=C(Nc1ccn(CC(F)F)n1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000674571883 566599932 /nfs/dbraw/zinc/59/99/32/566599932.db2.gz BYPIJIGRSJONFU-BQBZGAKWSA-N 0 0 380.239 3.353 20 30 GGEDRN O=C(NCc1nccn1C(F)F)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674624564 566601496 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C=CCCN(C)C(=O)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000467148943 566629880 /nfs/dbraw/zinc/62/98/80/566629880.db2.gz CIOIJZJSEDXJHW-UHFFFAOYSA-N 0 0 381.263 3.211 20 30 GGEDRN CO[C@@H](C)c1nc(CNC(=O)c2cccc(C#N)c2Br)cs1 ZINC000450078659 566630027 /nfs/dbraw/zinc/63/00/27/566630027.db2.gz PFCRGRFDUMKPSX-VIFPVBQESA-N 0 0 380.267 3.415 20 30 GGEDRN Cc1cnc([C@H](C)NC(=O)COc2ccc(C#N)c(Br)c2)s1 ZINC000450066449 566630305 /nfs/dbraw/zinc/63/03/05/566630305.db2.gz LZFXDCVFIQRENB-JTQLQIEISA-N 0 0 380.267 3.342 20 30 GGEDRN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cccc(C#N)c2Br)C1 ZINC000450064813 566630542 /nfs/dbraw/zinc/63/05/42/566630542.db2.gz FLYIRJZYUVRQNF-VJBOLBCHSA-N 0 0 383.311 3.130 20 30 GGEDRN N#Cc1cccc(C2(NC(=O)c3cn4ccc(Br)cc4n3)CC2)c1 ZINC000579695811 566630655 /nfs/dbraw/zinc/63/06/55/566630655.db2.gz ROJFENJKTMWOFT-UHFFFAOYSA-N 0 0 381.233 3.388 20 30 GGEDRN N#Cc1cccc(C(=O)N2CCOC[C@@H]2Cc2ccccc2)c1Br ZINC000450115901 566634925 /nfs/dbraw/zinc/63/49/25/566634925.db2.gz 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Cc1c(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2C)ccc(Br)c1C#N ZINC000425750820 566674453 /nfs/dbraw/zinc/67/44/53/566674453.db2.gz ZRXCODOXNVGVEF-MNOVXSKESA-N 0 0 378.270 3.215 20 30 GGEDRN CCSCC[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425746498 566674651 /nfs/dbraw/zinc/67/46/51/566674651.db2.gz UIEFBULXGOSCIP-JTQLQIEISA-N 0 0 398.326 3.216 20 30 GGEDRN CC1(C)C[C@@H](NC(=O)COc2cccc(Br)c2C#N)C(C)(C)O1 ZINC000450467095 566674764 /nfs/dbraw/zinc/67/47/64/566674764.db2.gz KJEKACZBCKUUMA-CQSZACIVSA-N 0 0 381.270 3.162 20 30 GGEDRN N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000450478605 566675202 /nfs/dbraw/zinc/67/52/02/566675202.db2.gz HSEXNXDDCSOYHL-IUODEOHRSA-N 0 0 391.265 3.060 20 30 GGEDRN C=CC[C@@H](CO)CNC(=O)Nc1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC000540831772 566675190 /nfs/dbraw/zinc/67/51/90/566675190.db2.gz JXTRKLVPHXXLGU-GFCCVEGCSA-N 0 0 383.279 3.216 20 30 GGEDRN FC(F)c1nnc2ccc(N3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)nn21 ZINC000676081185 566675609 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COc1cc(NCc2cn(C)nc2-c2ccc(C#N)cc2)ncc1Br ZINC000540858165 566676213 /nfs/dbraw/zinc/67/62/13/566676213.db2.gz HLDKBSNOJUNJJN-UHFFFAOYSA-N 0 0 398.264 3.159 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCc3cc(Br)cc(F)c3C2)cc1 ZINC000561101643 566676366 /nfs/dbraw/zinc/67/63/66/566676366.db2.gz NBXJLHVTWDRFLB-UHFFFAOYSA-N 0 0 395.253 3.207 20 30 GGEDRN N#Cc1ccc(-c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)nc1 ZINC000580242479 566676420 /nfs/dbraw/zinc/67/64/20/566676420.db2.gz DZONQGDSVOPJRE-UHFFFAOYSA-N 0 0 399.204 3.128 20 30 GGEDRN N#Cc1ccc(NC(=O)CCNC(=O)Cc2ccccc2)cc1Br ZINC000580241020 566676596 /nfs/dbraw/zinc/67/65/96/566676596.db2.gz CMROKTMCEFDAMV-UHFFFAOYSA-N 0 0 386.249 3.008 20 30 GGEDRN Cc1c(NC(=O)C(=O)N[C@H]2C[C@]2(C)C(C)C)ccc(Br)c1C#N ZINC000425774631 566676746 /nfs/dbraw/zinc/67/67/46/566676746.db2.gz CHPXQIZFTDKMJA-WMLDXEAASA-N 0 0 378.270 3.119 20 30 GGEDRN Cn1ccnc1[C@@H](NS(=O)(=O)CCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000580246788 566676893 /nfs/dbraw/zinc/67/68/93/566676893.db2.gz 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566678088 /nfs/dbraw/zinc/67/80/88/566678088.db2.gz REQOYCZUSIENOO-UHFFFAOYSA-N 0 0 380.286 3.462 20 30 GGEDRN COC(=O)[C@@H]1CN(c2ncc(Br)cc2C#N)C[C@H]1c1ccccc1 ZINC000450496209 566678594 /nfs/dbraw/zinc/67/85/94/566678594.db2.gz CSAXIQWQDGCZSB-JKSUJKDBSA-N 0 0 386.249 3.109 20 30 GGEDRN Cc1cc(Br)ccc1CN(C)S(=O)(=O)c1cccc(C#N)c1 ZINC000540872813 566678859 /nfs/dbraw/zinc/67/88/59/566678859.db2.gz GMTQBROZHOVHJW-UHFFFAOYSA-N 0 0 379.279 3.450 20 30 GGEDRN CCC(=O)[C@H]1CCCCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450493028 566678881 /nfs/dbraw/zinc/67/88/81/566678881.db2.gz YWUPKJJGGJXNON-OAHLLOKOSA-N 0 0 379.254 3.060 20 30 GGEDRN N#Cc1ccncc1C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000487553222 566679685 /nfs/dbraw/zinc/67/96/85/566679685.db2.gz PTAIPRUFWRKSCE-INIZCTEOSA-N 0 0 385.265 3.432 20 30 GGEDRN CN(C)S(=O)(=O)c1cccc2c1CCN(c1cccc(Cl)c1C#N)C2 ZINC000450509146 566679853 /nfs/dbraw/zinc/67/98/53/566679853.db2.gz IAIZBDQEXOAGHK-UHFFFAOYSA-N 0 0 375.881 3.025 20 30 GGEDRN 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C=CCn1cccc1C(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1 ZINC000489076464 566766679 /nfs/dbraw/zinc/76/66/79/566766679.db2.gz RYRFENSCUOBPRY-OAHLLOKOSA-N 0 0 391.265 3.471 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCc2nc3cc(Cl)ccc3[nH]2)cc1Cl ZINC000609495027 566766807 /nfs/dbraw/zinc/76/68/07/566766807.db2.gz CYOQNQCHAGHLML-UHFFFAOYSA-N 0 0 381.244 3.220 20 30 GGEDRN COc1ccc(CN2CCN([C@@H](C#N)C(C)C)CC2)c(Br)c1OC ZINC000609485101 566766825 /nfs/dbraw/zinc/76/68/25/566766825.db2.gz IYTCICZSGBYCEW-HNNXBMFYSA-N 0 0 396.329 3.132 20 30 GGEDRN C=CCn1cccc1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000489057670 566766862 /nfs/dbraw/zinc/76/68/62/566766862.db2.gz AVEOAXXVKPVYFT-UHFFFAOYSA-N 0 0 376.254 3.195 20 30 GGEDRN CC(C)[C@@H](C#N)N1CCN([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000609485407 566767143 /nfs/dbraw/zinc/76/71/43/566767143.db2.gz PLEGOWYCFCCVPW-XJKSGUPXSA-N 0 0 383.323 3.486 20 30 GGEDRN N#Cc1ccc(NCC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)cc1 ZINC000609533390 566768211 /nfs/dbraw/zinc/76/82/11/566768211.db2.gz 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/nfs/dbraw/zinc/76/95/84/566769584.db2.gz MDCCHRFBTJMTJU-UHFFFAOYSA-N 0 0 375.263 3.044 20 30 GGEDRN COCCN(Cc1ccc(Br)s1)C(=O)c1cc(C#N)[nH]c1C ZINC000451171508 566770990 /nfs/dbraw/zinc/77/09/90/566770990.db2.gz NWLHAFPBVSFMML-UHFFFAOYSA-N 0 0 382.283 3.308 20 30 GGEDRN O=S(=O)(c1cccc(OC(F)(F)F)c1F)N(CC(F)(F)F)C1CC1 ZINC000489118353 566771266 /nfs/dbraw/zinc/77/12/66/566771266.db2.gz SPKIOYLEUDBDMT-UHFFFAOYSA-N 0 0 381.269 3.440 20 30 GGEDRN N#Cc1nc(N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)ccc1Cl ZINC000609564140 566771296 /nfs/dbraw/zinc/77/12/96/566771296.db2.gz LJDMHTNTSVNOSJ-KRWDZBQOSA-N 0 0 377.275 3.116 20 30 GGEDRN C=CCCCS(=O)(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000489106945 566771388 /nfs/dbraw/zinc/77/13/88/566771388.db2.gz XZCUJACMLDMHQC-LLVKDONJSA-N 0 0 390.299 3.167 20 30 GGEDRN N#CCc1ccc(S(=O)(=O)NC[C@H]2CCOc3ccccc32)c(Cl)c1 ZINC000451179713 566771532 /nfs/dbraw/zinc/77/15/32/566771532.db2.gz RQRUYCMFJXPZEH-CQSZACIVSA-N 0 0 376.865 3.251 20 30 GGEDRN CNc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000609590334 566772724 /nfs/dbraw/zinc/77/27/24/566772724.db2.gz IBXXDZGOWCHHAM-AWEZNQCLSA-N 0 0 389.209 3.394 20 30 GGEDRN C[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000609590470 566772800 /nfs/dbraw/zinc/77/28/00/566772800.db2.gz BTTAHHXCWQSHGJ-MFKMUULPSA-N 0 0 392.278 3.010 20 30 GGEDRN CN(CCCOc1cccc(Cl)c1)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489126884 566772749 /nfs/dbraw/zinc/77/27/49/566772749.db2.gz VQMYFIWTQPMZEA-UHFFFAOYSA-N 0 0 382.844 3.440 20 30 GGEDRN N#C[C@H](NC(=O)C[C@H]1C(=O)Nc2ccccc21)c1ccccc1Br ZINC000609591362 566772809 /nfs/dbraw/zinc/77/28/09/566772809.db2.gz SILWWPJODLTHAD-CJNGLKHVSA-N 0 0 384.233 3.256 20 30 GGEDRN COC(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccccc2Br)s1 ZINC000609590015 566772824 /nfs/dbraw/zinc/77/28/24/566772824.db2.gz AEJFUKCFXALFTI-NSHDSACASA-N 0 0 379.235 3.292 20 30 GGEDRN C=CCCCS(=O)(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000489120279 566772818 /nfs/dbraw/zinc/77/28/18/566772818.db2.gz 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/nfs/dbraw/zinc/77/35/45/566773545.db2.gz MAGUYBNBOGFZNW-UHFFFAOYSA-N 0 0 397.269 3.323 20 30 GGEDRN COc1cc(S(=O)(=O)Nc2ccc(C#N)c(F)c2)ccc1Br ZINC000562236836 566773578 /nfs/dbraw/zinc/77/35/78/566773578.db2.gz OSQCLUKWUJOBPZ-UHFFFAOYSA-N 0 0 385.214 3.269 20 30 GGEDRN N#Cc1cc(Br)ccc1C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000516622934 566773679 /nfs/dbraw/zinc/77/36/79/566773679.db2.gz KZRBFGGDOAZWQJ-UHFFFAOYSA-N 0 0 395.260 3.413 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1ccccc1Br ZINC000609591975 566773935 /nfs/dbraw/zinc/77/39/35/566773935.db2.gz UEQOCSQKXGHHSM-QGZVFWFLSA-N 0 0 396.248 3.084 20 30 GGEDRN CCCC(=O)N1CCC[C@@H](C(=O)N[C@H](C#N)c2ccccc2Br)C1 ZINC000609591962 566774069 /nfs/dbraw/zinc/77/40/69/566774069.db2.gz TZMYTACKAWGZBM-CZUORRHYSA-N 0 0 392.297 3.169 20 30 GGEDRN COc1cccc(OCC(=O)N[C@@H](C#N)c2ccccc2Br)c1 ZINC000609593420 566774204 /nfs/dbraw/zinc/77/42/04/566774204.db2.gz WNHKYLLOLOHVFS-INIZCTEOSA-N 0 0 375.222 3.218 20 30 GGEDRN N#C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1Br ZINC000609592786 566774235 /nfs/dbraw/zinc/77/42/35/566774235.db2.gz HYRPICQPBHADRY-HNNXBMFYSA-N 0 0 390.193 3.117 20 30 GGEDRN Cc1nn(C)c2ncc(C(=O)N[C@@H](C#N)c3ccccc3Br)cc12 ZINC000609591579 566774244 /nfs/dbraw/zinc/77/42/44/566774244.db2.gz PGFOSIUNHPXMEO-HNNXBMFYSA-N 0 0 384.237 3.034 20 30 GGEDRN CCCc1noc(CCCC(=O)N[C@@H](C#N)c2ccccc2Br)n1 ZINC000609592760 566774346 /nfs/dbraw/zinc/77/43/46/566774346.db2.gz HMHKCRLEJCNVJB-AWEZNQCLSA-N 0 0 391.269 3.488 20 30 GGEDRN CC(C)C(=O)N1CCC(C(=O)N[C@H](C#N)c2ccccc2Br)CC1 ZINC000609593465 566774399 /nfs/dbraw/zinc/77/43/99/566774399.db2.gz XIQSBVOXXPSRGG-MRXNPFEDSA-N 0 0 392.297 3.025 20 30 GGEDRN N#C[C@@H](NC(=O)c1cn(-c2ccccc2)nn1)c1ccccc1Br ZINC000609591969 566774411 /nfs/dbraw/zinc/77/44/11/566774411.db2.gz UCTUAVXDKVECLW-OAHLLOKOSA-N 0 0 382.221 3.024 20 30 GGEDRN Cc1cc2ncc(C(=O)N[C@H](C#N)c3ccccc3Br)c(C)n2n1 ZINC000609591860 566774446 /nfs/dbraw/zinc/77/44/46/566774446.db2.gz YBCDNZORFLMAAP-OAHLLOKOSA-N 0 0 384.237 3.103 20 30 GGEDRN N#C[C@@H](NC(=O)CSCc1cccnc1)c1ccccc1Br ZINC000609592080 566774456 /nfs/dbraw/zinc/77/44/56/566774456.db2.gz VGXDYLNHEASCBB-OAHLLOKOSA-N 0 0 376.279 3.458 20 30 GGEDRN CCN(CC)C(=O)CCCC(=O)N[C@@H](C#N)c1ccccc1Br ZINC000609592319 566774500 /nfs/dbraw/zinc/77/45/00/566774500.db2.gz XKXCCNGBNLWFSF-HNNXBMFYSA-N 0 0 380.286 3.169 20 30 GGEDRN COc1cccc(OCC(=O)N[C@H](C#N)c2ccccc2Br)c1 ZINC000609593421 566774521 /nfs/dbraw/zinc/77/45/21/566774521.db2.gz WNHKYLLOLOHVFS-MRXNPFEDSA-N 0 0 375.222 3.218 20 30 GGEDRN N#C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1Br ZINC000609592172 566774525 /nfs/dbraw/zinc/77/45/25/566774525.db2.gz VYURTPHVTUVVCQ-HNNXBMFYSA-N 0 0 390.193 3.117 20 30 GGEDRN CN(C)C(=O)c1ccc(C(=O)N[C@H](C#N)c2ccccc2Br)cc1 ZINC000609592021 566774531 /nfs/dbraw/zinc/77/45/31/566774531.db2.gz URXUJSQRUNZFOT-MRXNPFEDSA-N 0 0 386.249 3.146 20 30 GGEDRN N#CCc1ccc(S(=O)(=O)N2CCC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000451200363 566774733 /nfs/dbraw/zinc/77/47/33/566774733.db2.gz JNMRIMHYUDIQRW-CYBMUJFWSA-N 0 0 381.910 3.431 20 30 GGEDRN Cn1cc(-c2cncc(C(=O)N[C@H](C#N)c3ccccc3Br)c2)cn1 ZINC000609593887 566775046 /nfs/dbraw/zinc/77/50/46/566775046.db2.gz LVUXJBNFVZXYAX-QGZVFWFLSA-N 0 0 396.248 3.239 20 30 GGEDRN Cc1nn(C)c2nc(C)cc(C(=O)N[C@@H](C#N)c3ccccc3Br)c12 ZINC000609594114 566775099 /nfs/dbraw/zinc/77/50/99/566775099.db2.gz WFWVXSFYBADJBA-HNNXBMFYSA-N 0 0 398.264 3.342 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000581418008 566775218 /nfs/dbraw/zinc/77/52/18/566775218.db2.gz ILCJTEMDZFWHOK-OTYXRUKQSA-N 0 0 382.283 3.139 20 30 GGEDRN C=CCCCS(=O)(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000489195708 566775556 /nfs/dbraw/zinc/77/55/56/566775556.db2.gz AYPGYAPENFXUGV-QGZVFWFLSA-N 0 0 382.913 3.384 20 30 GGEDRN N#C[C@@H](NC(=O)COc1ccc(F)cc1F)c1ccccc1Br ZINC000609593551 566775579 /nfs/dbraw/zinc/77/55/79/566775579.db2.gz YLSYXNYGCZKMTE-CQSZACIVSA-N 0 0 381.176 3.487 20 30 GGEDRN CCC[C@H](C)N1C[C@@H](C(=O)N[C@@H](C#N)c2ccccc2Br)CC1=O ZINC000609593756 566776030 /nfs/dbraw/zinc/77/60/30/566776030.db2.gz HGTMFZQPCGGBBB-XEZPLFJOSA-N 0 0 392.297 3.167 20 30 GGEDRN N#Cc1cnc(Nc2cnc(N3CCOCC3)c(Br)c2)c(Cl)c1 ZINC000542137752 566776481 /nfs/dbraw/zinc/77/64/81/566776481.db2.gz BWDJADYUDXAEKI-UHFFFAOYSA-N 0 0 394.660 3.344 20 30 GGEDRN CN(Cc1cccc(F)c1C#N)S(=O)(=O)c1ccccc1Br ZINC000427520048 566776731 /nfs/dbraw/zinc/77/67/31/566776731.db2.gz WBXUJPVZTDJYIA-UHFFFAOYSA-N 0 0 383.242 3.281 20 30 GGEDRN CC(C)(CC#N)CS(=O)(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000451202442 566777231 /nfs/dbraw/zinc/77/72/31/566777231.db2.gz NDBHDTACPBQIOD-UHFFFAOYSA-N 0 0 385.327 3.340 20 30 GGEDRN CC1(C)CCCN(C(=O)COc2cccc(Br)c2C#N)[C@@H]1C#N ZINC000451203567 566777273 /nfs/dbraw/zinc/77/72/73/566777273.db2.gz QGURJFUJYCMONQ-OAHLLOKOSA-N 0 0 376.254 3.240 20 30 GGEDRN Cc1ccc([C@H]2COCCN2S(=O)(=O)c2ccc(CC#N)cc2Cl)o1 ZINC000451206997 566777507 /nfs/dbraw/zinc/77/75/07/566777507.db2.gz IOBZKAHKIPXOCL-OAHLLOKOSA-N 0 0 380.853 3.070 20 30 GGEDRN Cc1cc(C(C)(C)C(=O)NCC2CCN(CC#N)CC2)ccc1Br ZINC000581459845 566778002 /nfs/dbraw/zinc/77/80/02/566778002.db2.gz NJXKXFBCOQTQIF-UHFFFAOYSA-N 0 0 392.341 3.387 20 30 GGEDRN C=CCCCS(=O)(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000489279504 566778539 /nfs/dbraw/zinc/77/85/39/566778539.db2.gz MBLIANLFQMCIAM-UHFFFAOYSA-N 0 0 385.917 3.176 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc(Br)cc1C ZINC000609632697 566779133 /nfs/dbraw/zinc/77/91/33/566779133.db2.gz AOIGOUCPQVMKSF-UHFFFAOYSA-N 0 0 379.279 3.416 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000562313147 566780149 /nfs/dbraw/zinc/78/01/49/566780149.db2.gz CGVVGEYYJDQMQP-RDTXWAMCSA-N 0 0 376.865 3.268 20 30 GGEDRN N#Cc1cc(Br)cnc1N[C@@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000581469673 566780296 /nfs/dbraw/zinc/78/02/96/566780296.db2.gz SDYALRJEFHFGGU-INIZCTEOSA-N 0 0 385.265 3.018 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCOc3c(Cl)cccc32)cc1 ZINC000562312974 566780599 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N#CCCCNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000542226195 566784163 /nfs/dbraw/zinc/78/41/63/566784163.db2.gz IAISXJYTPKQUBT-UHFFFAOYSA-N 0 0 376.210 3.328 20 30 GGEDRN N#CCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)c(Cl)c1 ZINC000451268362 566784759 /nfs/dbraw/zinc/78/47/59/566784759.db2.gz DETMFHVKFPQERR-CVEARBPZSA-N 0 0 378.885 3.065 20 30 GGEDRN N#CCc1ccc(S(=O)(=O)N2CCOC[C@@H]2c2ccccc2)c(Cl)c1 ZINC000451263865 566784770 /nfs/dbraw/zinc/78/47/70/566784770.db2.gz RMWWCXGRFBLBPQ-QGZVFWFLSA-N 0 0 376.865 3.168 20 30 GGEDRN Cc1ccc(C#N)cc1OCC(=O)Nc1ccc(I)cc1 ZINC000469355815 566785130 /nfs/dbraw/zinc/78/51/30/566785130.db2.gz YEAXCKHHHONXSH-UHFFFAOYSA-N 0 0 392.196 3.489 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000581513687 566785215 /nfs/dbraw/zinc/78/52/15/566785215.db2.gz CNQRVVCSCFNRDQ-UHFFFAOYSA-N 0 0 378.881 3.206 20 30 GGEDRN N#CCc1ccc(S(=O)(=O)N2CCOC[C@H]2c2ccccc2)c(Cl)c1 ZINC000451263864 566785736 /nfs/dbraw/zinc/78/57/36/566785736.db2.gz 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COCCN(Cc1cc(Br)cs1)C(=O)c1ccc(C#N)c(C)n1 ZINC000427725887 566790651 /nfs/dbraw/zinc/79/06/51/566790651.db2.gz CTIVJPIBPJSFIC-UHFFFAOYSA-N 0 0 394.294 3.375 20 30 GGEDRN N#C[C@H](NC(=O)c1cc(-n2cccn2)ccn1)c1ccccc1Br ZINC000609876198 566791304 /nfs/dbraw/zinc/79/13/04/566791304.db2.gz WTRUJSDJGXXWJW-INIZCTEOSA-N 0 0 382.221 3.024 20 30 GGEDRN C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cscc2Br)C1=O ZINC000562440017 566791265 /nfs/dbraw/zinc/79/12/65/566791265.db2.gz LGOKZJLHNYTVTB-MRXNPFEDSA-N 0 0 390.262 3.349 20 30 GGEDRN N#CC1(CS(=O)(=O)N[C@@H](c2cccs2)C2(CO)CCC2)CCCCC1 ZINC000581589519 566791703 /nfs/dbraw/zinc/79/17/03/566791703.db2.gz BTOACAWPZWVSIS-INIZCTEOSA-N 0 0 382.551 3.345 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)cc1F ZINC000489489876 566791791 /nfs/dbraw/zinc/79/17/91/566791791.db2.gz AGNPUTWCUQSWPU-AWEZNQCLSA-N 0 0 376.306 3.418 20 30 GGEDRN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489489909 566792151 /nfs/dbraw/zinc/79/21/51/566792151.db2.gz AIDNTYGYWVNQKW-APPDUMDISA-N 0 0 382.844 3.405 20 30 GGEDRN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cscc2Br)C1=O ZINC000562440016 566792171 /nfs/dbraw/zinc/79/21/71/566792171.db2.gz LGOKZJLHNYTVTB-INIZCTEOSA-N 0 0 390.262 3.349 20 30 GGEDRN CC[C@]1(C)CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000451310175 566793449 /nfs/dbraw/zinc/79/34/49/566793449.db2.gz CREJJQNBKFIZDK-CQSZACIVSA-N 0 0 375.263 3.271 20 30 GGEDRN COCCN(Cc1ccc(C)o1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451314167 566794104 /nfs/dbraw/zinc/79/41/04/566794104.db2.gz OFYPEDRJKDNDCL-UHFFFAOYSA-N 0 0 382.869 3.145 20 30 GGEDRN N#CCN1CCC(CNS(=O)(=O)c2sc3ccccc3c2Cl)CC1 ZINC000451317135 566794111 /nfs/dbraw/zinc/79/41/11/566794111.db2.gz VACLXNVGBHYPJA-UHFFFAOYSA-N 0 0 383.926 3.069 20 30 GGEDRN C=CCCCS(=O)(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000427757910 566794800 /nfs/dbraw/zinc/79/48/00/566794800.db2.gz ZDUKDKOXAIWOQC-UHFFFAOYSA-N 0 0 394.946 3.078 20 30 GGEDRN N#C[C@@H](NC(=O)c1cccc(-n2cccn2)n1)c1ccccc1Br ZINC000609911479 566794966 /nfs/dbraw/zinc/79/49/66/566794966.db2.gz FDCXOEYFHLNDHB-OAHLLOKOSA-N 0 0 382.221 3.024 20 30 GGEDRN CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(CC#N)cc2Cl)C12CCC2 ZINC000451322278 566795620 /nfs/dbraw/zinc/79/56/20/566795620.db2.gz QOOOJJVUPXGFMJ-DLBZAZTESA-N 0 0 382.913 3.374 20 30 GGEDRN C[C@@H](C#N)C(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000609921377 566795759 /nfs/dbraw/zinc/79/57/59/566795759.db2.gz OVJJBPRFBPBYDS-JTQLQIEISA-N 0 0 390.203 3.276 20 30 GGEDRN CC(C)N(CCC#N)C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000562504766 566796088 /nfs/dbraw/zinc/79/60/88/566796088.db2.gz VHDYVHWCKGFGAL-UHFFFAOYSA-N 0 0 390.640 3.331 20 30 GGEDRN C=CCCCS(=O)(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000427769608 566796276 /nfs/dbraw/zinc/79/62/76/566796276.db2.gz VTNHUFOVGSGZJZ-UHFFFAOYSA-N 0 0 384.299 3.402 20 30 GGEDRN C=CCCCS(=O)(=O)Nc1c(F)cc(C)cc1I ZINC000427769019 566796324 /nfs/dbraw/zinc/79/63/24/566796324.db2.gz SXXOLVLBAZQPKY-UHFFFAOYSA-N 0 0 383.226 3.447 20 30 GGEDRN N#CCC1(CNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000581644185 566796559 /nfs/dbraw/zinc/79/65/59/566796559.db2.gz ZEESMHYVYLJFEP-CQSZACIVSA-N 0 0 377.286 3.021 20 30 GGEDRN C[C@H](C#N)C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC000609921902 566796690 /nfs/dbraw/zinc/79/66/90/566796690.db2.gz SLFCHDHNRBPISK-GFCCVEGCSA-N 0 0 386.249 3.477 20 30 GGEDRN C[C@@H](CNc1nc2c(cc1C#N)COCC2)Oc1cccc(Br)c1 ZINC000562531116 566797499 /nfs/dbraw/zinc/79/74/99/566797499.db2.gz BJGXKBHSUXBZCW-LBPRGKRZSA-N 0 0 388.265 3.090 20 30 GGEDRN N#CCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)c(Cl)c1 ZINC000451327691 566797485 /nfs/dbraw/zinc/79/74/85/566797485.db2.gz SYNQERLKKHJILZ-UHFFFAOYSA-N 0 0 381.929 3.045 20 30 GGEDRN N#Cc1ccncc1N1CCN(Cc2cccc(F)c2Br)CC1 ZINC000562521209 566797818 /nfs/dbraw/zinc/79/78/18/566797818.db2.gz WUJDRYSLBNPLOO-UHFFFAOYSA-N 0 0 375.245 3.177 20 30 GGEDRN N#Cc1c(Br)cccc1OCC(=O)N1CCc2ccccc2CC1 ZINC000562520636 566797998 /nfs/dbraw/zinc/79/79/98/566797998.db2.gz UWXKKXXEFGJRKN-UHFFFAOYSA-N 0 0 385.261 3.327 20 30 GGEDRN CSCC[C@@](C)(C#N)NC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C ZINC000516995399 566798351 /nfs/dbraw/zinc/79/83/51/566798351.db2.gz WNFYGGRNNVSIOM-INIZCTEOSA-N 0 0 381.864 3.133 20 30 GGEDRN CN(C)C[C@@](C)(C#N)NC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000581669973 566798342 /nfs/dbraw/zinc/79/83/42/566798342.db2.gz NTAZEHQYOHOIFU-CYBMUJFWSA-N 0 0 378.192 3.042 20 30 GGEDRN CN(CCOc1ccc(Br)cc1)c1nc2c(cc1C#N)COCC2 ZINC000562529888 566798574 /nfs/dbraw/zinc/79/85/74/566798574.db2.gz ZENHRECSUMVLDZ-UHFFFAOYSA-N 0 0 388.265 3.304 20 30 GGEDRN CN1CCCN(S(=O)(=O)c2ccc(C#N)c(F)c2)c2cc(Cl)ccc21 ZINC000489585891 566798623 /nfs/dbraw/zinc/79/86/23/566798623.db2.gz QOLYHCDAPUDVCW-UHFFFAOYSA-N 0 0 379.844 3.386 20 30 GGEDRN C[C@@H](CC(=O)c1cccs1)NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451335168 566798871 /nfs/dbraw/zinc/79/88/71/566798871.db2.gz DAZUDGUPEGLEAD-NSHDSACASA-N 0 0 382.894 3.407 20 30 GGEDRN C=C(C)CN(CC)C(=O)[C@H](C)SCCOc1cccc(S(C)(=O)=O)c1 ZINC000610009514 566798839 /nfs/dbraw/zinc/79/88/39/566798839.db2.gz BLXXKGIKDTWDFS-HNNXBMFYSA-N 0 0 385.551 3.015 20 30 GGEDRN C=CCCCS(=O)(=O)N[C@@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000489620215 566799251 /nfs/dbraw/zinc/79/92/51/566799251.db2.gz NBUNRONZMFVDGO-OAHLLOKOSA-N 0 0 380.293 3.267 20 30 GGEDRN C=CCCCS(=O)(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000489620919 566799648 /nfs/dbraw/zinc/79/96/48/566799648.db2.gz NWJAGVHOPBUXPW-HNNXBMFYSA-N 0 0 392.290 3.258 20 30 GGEDRN N#CCCN(CC(F)(F)F)S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427802588 566799817 /nfs/dbraw/zinc/79/98/17/566799817.db2.gz UQNMEVHAQLMFFV-UHFFFAOYSA-N 0 0 394.268 3.191 20 30 GGEDRN Cc1ncc(S(=O)(=O)N[C@@H](C)c2ccc(Br)s2)cc1C#N ZINC000489625614 566799799 /nfs/dbraw/zinc/79/97/99/566799799.db2.gz JQDBTUUKLCXQCL-VIFPVBQESA-N 0 0 386.296 3.125 20 30 GGEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)c1ccc(Br)cc1 ZINC000562533677 566799881 /nfs/dbraw/zinc/79/98/81/566799881.db2.gz YQFOURSTBPOMQQ-JTQLQIEISA-N 0 0 383.242 3.499 20 30 GGEDRN Cc1nc(NC(=O)c2cc(Br)cnc2OCC2CC2)ccc1C#N ZINC000517016245 566799945 /nfs/dbraw/zinc/79/99/45/566799945.db2.gz XOWJYAQZTDXNQX-UHFFFAOYSA-N 0 0 387.237 3.460 20 30 GGEDRN C[C@H](Cc1cc(Br)ccc1F)NS(=O)(=O)CC1(CC#N)CC1 ZINC000451341235 566800515 /nfs/dbraw/zinc/80/05/15/566800515.db2.gz MCOSFZNCNUEVQT-LLVKDONJSA-N 0 0 389.290 3.132 20 30 GGEDRN N#CCc1ccc(S(=O)(=O)N2CCSC[C@H]2c2nccs2)c(Cl)c1 ZINC000581707784 566800827 /nfs/dbraw/zinc/80/08/27/566800827.db2.gz OHUBVFOFNJGABX-ZDUSSCGKSA-N 0 0 399.950 3.341 20 30 GGEDRN N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000581714982 566801484 /nfs/dbraw/zinc/80/14/84/566801484.db2.gz DXLXZBSBBSWVPP-HZPDHXFCSA-N 0 0 380.466 3.099 20 30 GGEDRN C=CCCCS(=O)(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000489679872 566802173 /nfs/dbraw/zinc/80/21/73/566802173.db2.gz RYSJIXFGRORTEP-DOMZBBRYSA-N 0 0 376.316 3.411 20 30 GGEDRN CCc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1ccc(C#N)c(F)c1)CCC2 ZINC000489679475 566802300 /nfs/dbraw/zinc/80/23/00/566802300.db2.gz MBPAYICCFNMVIF-OAHLLOKOSA-N 0 0 379.482 3.414 20 30 GGEDRN Cc1cc(Br)c(CN2CCN(c3cnccc3C#N)CC2)s1 ZINC000562574090 566802697 /nfs/dbraw/zinc/80/26/97/566802697.db2.gz ZSKXXOYMYAMLDF-UHFFFAOYSA-N 0 0 377.311 3.408 20 30 GGEDRN C=CCCCS(=O)(=O)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000489679877 566802777 /nfs/dbraw/zinc/80/27/77/566802777.db2.gz RYSJIXFGRORTEP-WFASDCNBSA-N 0 0 376.316 3.411 20 30 GGEDRN COc1ccc(Br)cc1C(=O)CCC(=O)N[C@]1(C#N)CC1(C)C ZINC000427884315 566802838 /nfs/dbraw/zinc/80/28/38/566802838.db2.gz FXNYMJWATWLDDP-KRWDZBQOSA-N 0 0 379.254 3.229 20 30 GGEDRN CC[C@@](C)(C#N)c1nc(COc2ccc(I)cc2)no1 ZINC000581752364 566803551 /nfs/dbraw/zinc/80/35/51/566803551.db2.gz WTQLLSLNFGHULM-AWEZNQCLSA-N 0 0 383.189 3.444 20 30 GGEDRN C[C@@H]1Cc2ccc(Br)cc2CN1S(=O)(=O)CC1(CC#N)CC1 ZINC000451360129 566803807 /nfs/dbraw/zinc/80/38/07/566803807.db2.gz DQWKQXTYIOIXPJ-GFCCVEGCSA-N 0 0 383.311 3.219 20 30 GGEDRN N#CCN(Cc1cc(I)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000581754116 566803762 /nfs/dbraw/zinc/80/37/62/566803762.db2.gz BDEZZTZVBIPJHF-UHFFFAOYSA-N 0 0 385.205 3.468 20 30 GGEDRN C[C@H]1c2cccc(Br)c2CCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000451365348 566804069 /nfs/dbraw/zinc/80/40/69/566804069.db2.gz XUBYVVDUIHTJDC-LBPRGKRZSA-N 0 0 383.311 3.392 20 30 GGEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000562586918 566804367 /nfs/dbraw/zinc/80/43/67/566804367.db2.gz MWCIIHCKQJQUDF-OIISXLGYSA-N 0 0 394.313 3.061 20 30 GGEDRN CC(C)(C)CC[C@@H](CO)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000451368041 566804686 /nfs/dbraw/zinc/80/46/86/566804686.db2.gz NQJJGMYCMYTHAU-ZDUSSCGKSA-N 0 0 383.286 3.003 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(NC)nc1 ZINC000469638659 566804676 /nfs/dbraw/zinc/80/46/76/566804676.db2.gz XVKHAVAXXWBOCI-UHFFFAOYSA-N 0 0 378.245 3.275 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)cc1F ZINC000489721918 566804696 /nfs/dbraw/zinc/80/46/96/566804696.db2.gz PJJQBMLYTYJVJG-HNNXBMFYSA-N 0 0 380.828 3.193 20 30 GGEDRN CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2ccc(Br)cc2C#N)[nH]1 ZINC000451368008 566804805 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CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2ccc(Br)cc2C#N)[nH]1 ZINC000451368006 566805698 /nfs/dbraw/zinc/80/56/98/566805698.db2.gz NKTSLLWGUMQBNT-NXEZZACHSA-N 0 0 376.258 3.443 20 30 GGEDRN CC(C)(CC#N)CS(=O)(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000451378303 566806647 /nfs/dbraw/zinc/80/66/47/566806647.db2.gz ROAQWVUTSIJVNR-UHFFFAOYSA-N 0 0 389.290 3.216 20 30 GGEDRN N#Cc1ccc2c(c1)N(C(=O)[C@H]1CC(=O)Nc3ccc(Br)cc31)CC2 ZINC000469678030 566806589 /nfs/dbraw/zinc/80/65/89/566806589.db2.gz BGIKXSLEDKKKPI-HNNXBMFYSA-N 0 0 396.244 3.336 20 30 GGEDRN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(C#N)cc2C)ccc1Cl ZINC000610123714 566807719 /nfs/dbraw/zinc/80/77/19/566807719.db2.gz OYNZSMKBVBFILZ-UHFFFAOYSA-N 0 0 378.837 3.498 20 30 GGEDRN COc1cccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1F ZINC000655528376 566807766 /nfs/dbraw/zinc/80/77/66/566807766.db2.gz IIAGZEXHJKXRQS-HTQZYQBOSA-N 0 0 395.296 3.196 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1CCc2ccc(Br)cc21 ZINC000610124028 566807787 /nfs/dbraw/zinc/80/77/87/566807787.db2.gz PLYNWUBWIYXVGS-UHFFFAOYSA-N 0 0 377.263 3.381 20 30 GGEDRN COc1cccc2c1CCN(S(=O)(=O)c1ccc(CC#N)cc1Cl)C2 ZINC000451385075 566808362 /nfs/dbraw/zinc/80/83/62/566808362.db2.gz QEBPNPVHJNMFOK-UHFFFAOYSA-N 0 0 376.865 3.162 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)[C@H]1CC ZINC000581852593 566808898 /nfs/dbraw/zinc/80/88/98/566808898.db2.gz MJRSESZRPGJPEV-CQSZACIVSA-N 0 0 380.279 3.153 20 30 GGEDRN COc1ccc(Br)c(CNS(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000610134627 566808904 /nfs/dbraw/zinc/80/89/04/566808904.db2.gz BRZCQQGMCNGLED-UHFFFAOYSA-N 0 0 395.278 3.116 20 30 GGEDRN CC(C)CCn1cc(C(=O)N[C@@H](C#N)c2ccccc2Br)nn1 ZINC000610130286 566809327 /nfs/dbraw/zinc/80/93/27/566809327.db2.gz ZLXVBFZGKSMHRC-AWEZNQCLSA-N 0 0 376.258 3.081 20 30 GGEDRN N#C[C@H](NC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1ccccc1Br ZINC000610130156 566809513 /nfs/dbraw/zinc/80/95/13/566809513.db2.gz WUQRHYWABOQRBD-HOCLYGCPSA-N 0 0 375.197 3.273 20 30 GGEDRN C[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000451389904 566809543 /nfs/dbraw/zinc/80/95/43/566809543.db2.gz XHJJBMQEHFLSRZ-VFVRVIDISA-N 0 0 393.281 3.119 20 30 GGEDRN C[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@]2(CCO[C@H](C)C2)O1 ZINC000451389902 566809884 /nfs/dbraw/zinc/80/98/84/566809884.db2.gz XHJJBMQEHFLSRZ-SNUQEOBHSA-N 0 0 393.281 3.119 20 30 GGEDRN C[C@H]1COc2ccccc2CN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451386947 566809897 /nfs/dbraw/zinc/80/98/97/566809897.db2.gz YFNCKWKVAGUDEL-ZDUSSCGKSA-N 0 0 376.865 3.378 20 30 GGEDRN C[C@@H]1COc2ccccc2CN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451386940 566810149 /nfs/dbraw/zinc/81/01/49/566810149.db2.gz YFNCKWKVAGUDEL-CYBMUJFWSA-N 0 0 376.865 3.378 20 30 GGEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000489797194 566810046 /nfs/dbraw/zinc/81/00/46/566810046.db2.gz MDLYXNSCVSZYKN-ZETCQYMHSA-N 0 0 379.360 3.212 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(I)cc1F ZINC000451395104 566810663 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CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2CCC(C#N)CC2)c1 ZINC000489840191 566812974 /nfs/dbraw/zinc/81/29/74/566812974.db2.gz JEUCBDUBBKONMI-UHFFFAOYSA-N 0 0 384.885 3.125 20 30 GGEDRN Cc1cccc(OCCn2cc(I)c(C)c(C#N)c2=O)c1 ZINC000581913172 566813303 /nfs/dbraw/zinc/81/33/03/566813303.db2.gz UMXGQQSPIZPEQK-UHFFFAOYSA-N 0 0 394.212 3.020 20 30 GGEDRN C=CCCCS(=O)(=O)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000489850166 566814056 /nfs/dbraw/zinc/81/40/56/566814056.db2.gz DTKTUOAISGPSII-MRXNPFEDSA-N 0 0 377.428 3.293 20 30 GGEDRN N#C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2ccc(F)cn2)CC1 ZINC000469788477 566814172 /nfs/dbraw/zinc/81/41/72/566814172.db2.gz URYXGFKUWITIEL-SFHVURJKSA-N 0 0 389.272 3.366 20 30 GGEDRN C=CC[C@@H](CC)NS(=O)(=O)c1ccc(C)c(I)c1 ZINC000489870685 566814501 /nfs/dbraw/zinc/81/45/01/566814501.db2.gz BXGLZAGOLQIJRI-LLVKDONJSA-N 0 0 379.263 3.233 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC(=O)N[C@@H](CC)C1 ZINC000542619436 566815172 /nfs/dbraw/zinc/81/51/72/566815172.db2.gz SRSYSSARPQESKB-WFASDCNBSA-N 0 0 397.288 3.408 20 30 GGEDRN COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)CC1(C#N)CCC1 ZINC000451414161 566815125 /nfs/dbraw/zinc/81/51/25/566815125.db2.gz ZXTNWRFMLQASBK-HNNXBMFYSA-N 0 0 381.270 3.297 20 30 GGEDRN Cc1ncc(S(=O)(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)cc1C#N ZINC000489894196 566815437 /nfs/dbraw/zinc/81/54/37/566815437.db2.gz YDOXLCGFXDEAPC-KRWDZBQOSA-N 0 0 379.844 3.175 20 30 GGEDRN O=S(=O)(NC1CC(C(F)(F)F)C1)c1cccc(OC(F)(F)F)c1F ZINC000489882538 566816157 /nfs/dbraw/zinc/81/61/57/566816157.db2.gz JAOBJLMWZACJQA-UHFFFAOYSA-N 0 0 381.269 3.344 20 30 GGEDRN CC#CCCNC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000542671315 566816585 /nfs/dbraw/zinc/81/65/85/566816585.db2.gz UJSLLWJVRVYPQX-MRXNPFEDSA-N 0 0 395.272 3.113 20 30 GGEDRN C[C@@H](Nc1c(F)cc(S(N)(=O)=O)cc1Br)c1ccc(C#N)cc1 ZINC000428113783 566817670 /nfs/dbraw/zinc/81/76/70/566817670.db2.gz YIMWNQYTJHZPMR-SECBINFHSA-N 0 0 398.257 3.280 20 30 GGEDRN C[C@H](Nc1c(F)cc(S(N)(=O)=O)cc1Br)c1ccc(C#N)cc1 ZINC000428113786 566817794 /nfs/dbraw/zinc/81/77/94/566817794.db2.gz YIMWNQYTJHZPMR-VIFPVBQESA-N 0 0 398.257 3.280 20 30 GGEDRN CSC[C@@](C)(C#N)NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000581967809 566818133 /nfs/dbraw/zinc/81/81/33/566818133.db2.gz HYAOJKUJEMGDQZ-MGPLVRAMSA-N 0 0 386.304 3.108 20 30 GGEDRN C=C(C)CNC(=O)c1ccccc1Sc1ccc(S(=O)(=O)NC)cc1 ZINC000428117097 566818491 /nfs/dbraw/zinc/81/84/91/566818491.db2.gz TYNCZSLSAVFJCC-UHFFFAOYSA-N 0 0 376.503 3.052 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H](CO)c1cccc(Cl)c1F ZINC000542692155 566818895 /nfs/dbraw/zinc/81/88/95/566818895.db2.gz ZPNSNGAQTOPGTO-CYBMUJFWSA-N 0 0 389.235 3.016 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@H](CO)c2cccc(Cl)c2F)c(Cl)c1 ZINC000542690942 566819042 /nfs/dbraw/zinc/81/90/42/566819042.db2.gz JFVXGFXKVNMQMO-CYBMUJFWSA-N 0 0 389.235 3.016 20 30 GGEDRN CCN(CCC#N)C(=O)COc1c(Cl)cc(Br)cc1C(C)=O ZINC000542709242 566819058 /nfs/dbraw/zinc/81/90/58/566819058.db2.gz NKMFVLZPRBCVLS-UHFFFAOYSA-N 0 0 387.661 3.446 20 30 GGEDRN Cc1cc(C(=O)N[C@H](C#N)c2ccccc2Br)ccc1-n1cncn1 ZINC000610240702 566818947 /nfs/dbraw/zinc/81/89/47/566818947.db2.gz OHYURHPRXPROHG-MRXNPFEDSA-N 0 0 396.248 3.333 20 30 GGEDRN C=C(C)CNC(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC000428124552 566819254 /nfs/dbraw/zinc/81/92/54/566819254.db2.gz GIBNFDKZVNUYAF-UHFFFAOYSA-N 0 0 389.175 3.355 20 30 GGEDRN C=CCC(C)(C)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000489935614 566819393 /nfs/dbraw/zinc/81/93/93/566819393.db2.gz PDSYFBOHDIDBIT-HNNXBMFYSA-N 0 0 384.567 3.176 20 30 GGEDRN N#CCC1(CS(=O)(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC000581984571 566819758 /nfs/dbraw/zinc/81/97/58/566819758.db2.gz LKOYHSUKTFFWJP-KRWDZBQOSA-N 0 0 381.929 3.090 20 30 GGEDRN Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CCO1 ZINC000610265905 566820507 /nfs/dbraw/zinc/82/05/07/566820507.db2.gz NCZRGMKJICCGGP-KRWDZBQOSA-N 0 0 376.865 3.282 20 30 GGEDRN CC[C@@H](C)c1nnc([C@@H](C)NS(=O)(=O)c2ccc(CC#N)cc2Cl)[nH]1 ZINC000451452151 566820960 /nfs/dbraw/zinc/82/09/60/566820960.db2.gz GUFLDHWCNZLZFQ-GHMZBOCLSA-N 0 0 381.889 3.077 20 30 GGEDRN CCCOc1c(Br)cc(C(=O)Nc2ccncc2C#N)cc1OC ZINC000517343834 566821137 /nfs/dbraw/zinc/82/11/37/566821137.db2.gz NVWCINUWWIPKBU-UHFFFAOYSA-N 0 0 390.237 3.187 20 30 GGEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(Br)cn2C(C)C)CC1 ZINC000610291752 566821692 /nfs/dbraw/zinc/82/16/92/566821692.db2.gz BFLTUCSGCOIBAG-MRXNPFEDSA-N 0 0 381.318 3.137 20 30 GGEDRN CSCC[C@](C)(C#N)NC(=O)c1scc(C)c1I ZINC000582027429 566823197 /nfs/dbraw/zinc/82/31/97/566823197.db2.gz VWXNNAHRXVZXTJ-GFCCVEGCSA-N 0 0 394.303 3.426 20 30 GGEDRN COCCOc1ccc(CC(=O)Nc2nc(C)c(SCC#N)s2)cc1 ZINC000428200362 566823486 /nfs/dbraw/zinc/82/34/86/566823486.db2.gz PVJOZOFMXOTYJF-UHFFFAOYSA-N 0 0 377.491 3.274 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1C(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000451470290 566824228 /nfs/dbraw/zinc/82/42/28/566824228.db2.gz GGBRKNKCFLHQDY-WBVHZDCISA-N 0 0 385.291 3.049 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(F)c(Br)c1)c1cccc(C#N)c1 ZINC000610338572 566824982 /nfs/dbraw/zinc/82/49/82/566824982.db2.gz HYZOQXQKIRRIND-SNVBAGLBSA-N 0 0 383.242 3.499 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCCC3(CCC3)C2)cc1Br ZINC000451483303 566825149 /nfs/dbraw/zinc/82/51/49/566825149.db2.gz XYDCVRFAXAKMLT-UHFFFAOYSA-N 0 0 387.274 3.415 20 30 GGEDRN C[C@H](NS(=O)(=O)c1ccc(F)cc1Br)c1cccc(C#N)c1 ZINC000610338627 566825591 /nfs/dbraw/zinc/82/55/91/566825591.db2.gz KHTUBTSKTGTXLY-JTQLQIEISA-N 0 0 383.242 3.499 20 30 GGEDRN Cc1cc([C@@H](C#N)C(=O)c2csc(I)c2)nc(C)n1 ZINC000517426696 566825601 /nfs/dbraw/zinc/82/56/01/566825601.db2.gz HBJLFWFVXWGGJI-SNVBAGLBSA-N 0 0 383.214 3.250 20 30 GGEDRN N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)nc1 ZINC000490038840 566826371 /nfs/dbraw/zinc/82/63/71/566826371.db2.gz AXEFCZGGOMZKKX-ZDUSSCGKSA-N 0 0 398.271 3.102 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(Br)c(F)c1)c1cccc(C#N)c1 ZINC000610339510 566826405 /nfs/dbraw/zinc/82/64/05/566826405.db2.gz XZSCHNCPWXWTID-SNVBAGLBSA-N 0 0 383.242 3.499 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)NCCCCn1cc(Br)cn1 ZINC000469905629 566826440 /nfs/dbraw/zinc/82/64/40/566826440.db2.gz IZOWJYBPJJPNPD-UHFFFAOYSA-N 0 0 376.258 3.428 20 30 GGEDRN C[C@@H](N[C@@H](C(N)=O)c1ccc(Br)cc1F)c1cccc(C#N)c1 ZINC000610343371 566826510 /nfs/dbraw/zinc/82/65/10/566826510.db2.gz DOVWRJKSAMSTOB-QLJPJBMISA-N 0 0 376.229 3.337 20 30 GGEDRN N#CCCC1CCN(C(=O)C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000582061707 566826604 /nfs/dbraw/zinc/82/66/04/566826604.db2.gz OEBBPMZYVQIEPB-UHFFFAOYSA-N 0 0 382.233 3.069 20 30 GGEDRN Cc1cc(Br)cc2c1N(S(=O)(=O)c1cccnc1C#N)CCC2 ZINC000428246966 566826978 /nfs/dbraw/zinc/82/69/78/566826978.db2.gz MLUYIOOLGUNRKF-UHFFFAOYSA-N 0 0 392.278 3.166 20 30 GGEDRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000610338837 566827273 /nfs/dbraw/zinc/82/72/73/566827273.db2.gz AQBNZYBODIYZJJ-LLVKDONJSA-N 0 0 378.837 3.038 20 30 GGEDRN C=CCSCCNC(=O)[C@@](N)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000490055432 566827623 /nfs/dbraw/zinc/82/76/23/566827623.db2.gz 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ZINC000610385545 566828457 /nfs/dbraw/zinc/82/84/57/566828457.db2.gz IZJJBPMXYODOGU-LBPRGKRZSA-N 0 0 386.249 3.445 20 30 GGEDRN Cn1nccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451500085 566828531 /nfs/dbraw/zinc/82/85/31/566828531.db2.gz ZKDUSLBGFZAOID-MRXNPFEDSA-N 0 0 378.885 3.055 20 30 GGEDRN C[C@H](c1ccccc1Br)N(C)S(=O)(=O)c1cccnc1C#N ZINC000428269818 566828427 /nfs/dbraw/zinc/82/84/27/566828427.db2.gz LHTWTJSCHMHWBN-LLVKDONJSA-N 0 0 380.267 3.097 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(Br)c1)c1cccc(C#N)c1 ZINC000610385977 566828705 /nfs/dbraw/zinc/82/87/05/566828705.db2.gz PGTZNCDELCSFKG-SNVBAGLBSA-N 0 0 390.212 3.276 20 30 GGEDRN N#CCC1(CS(=O)(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000451498097 566829204 /nfs/dbraw/zinc/82/92/04/566829204.db2.gz NJGURVYDBAFPSE-CYBMUJFWSA-N 0 0 396.818 3.005 20 30 GGEDRN C=C1CCN(C(=O)CCC(=O)c2ccc(I)cc2)CC1 ZINC000517481375 566829569 /nfs/dbraw/zinc/82/95/69/566829569.db2.gz VSXSIWWKMPNWQA-UHFFFAOYSA-N 0 0 383.229 3.433 20 30 GGEDRN 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Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC#Cc1ccccc1 ZINC000490197590 566835685 /nfs/dbraw/zinc/83/56/85/566835685.db2.gz CBHKEJIHXPHHDZ-UHFFFAOYSA-N 0 0 385.261 3.172 20 30 GGEDRN N#CCC1CCN(C(=O)c2cc(I)c(F)cc2F)CC1 ZINC000542900724 566836049 /nfs/dbraw/zinc/83/60/49/566836049.db2.gz MSHQSHNVYNJHNT-UHFFFAOYSA-N 0 0 390.171 3.335 20 30 GGEDRN Cc1noc([C@@H]2CCCCN2S(=O)(=O)c2ccc(CC#N)cc2Cl)n1 ZINC000451547550 566836206 /nfs/dbraw/zinc/83/62/06/566836206.db2.gz QTYZZESYHXEVDT-AWEZNQCLSA-N 0 0 380.857 3.013 20 30 GGEDRN C[C@@H](NS(=O)(=O)CC1(CC#N)CC1)c1ccc(Br)cc1F ZINC000451548948 566836227 /nfs/dbraw/zinc/83/62/27/566836227.db2.gz SHQIRTKKNXGMMS-SNVBAGLBSA-N 0 0 375.263 3.262 20 30 GGEDRN Cc1c(C(=O)N2CCC(CC#N)CC2)nnn1-c1cccc(Br)c1 ZINC000542905151 566836380 /nfs/dbraw/zinc/83/63/80/566836380.db2.gz CIWMWJWNTGRHBR-UHFFFAOYSA-N 0 0 388.269 3.104 20 30 GGEDRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NCC1(C#N)CC1 ZINC000517660557 566837442 /nfs/dbraw/zinc/83/74/42/566837442.db2.gz DWMNBDCLJZJVNZ-INIZCTEOSA-N 0 0 394.313 3.390 20 30 GGEDRN N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000610496763 566838070 /nfs/dbraw/zinc/83/80/70/566838070.db2.gz QMLMIKCNTCBFKF-IUIKQTSFSA-N 0 0 380.275 3.406 20 30 GGEDRN N#C[C@H]1CCC[C@@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000610498044 566838082 /nfs/dbraw/zinc/83/80/82/566838082.db2.gz GFUBZDPTIUFLGU-CJNGLKHVSA-N 0 0 377.282 3.306 20 30 GGEDRN C[C@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCC1(F)F ZINC000451561761 566838190 /nfs/dbraw/zinc/83/81/90/566838190.db2.gz HILXJEMNGXOFKW-QMMMGPOBSA-N 0 0 397.216 3.126 20 30 GGEDRN C=CC1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000517658387 566838323 /nfs/dbraw/zinc/83/83/23/566838323.db2.gz JOHLQLZPLHUKDB-AWEZNQCLSA-N 0 0 377.282 3.227 20 30 GGEDRN N#C[C@H]1CCC[C@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000610498398 566838788 /nfs/dbraw/zinc/83/87/88/566838788.db2.gz YKQBEFMADDLODQ-CZUORRHYSA-N 0 0 380.897 3.235 20 30 GGEDRN N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000610497097 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N#Cc1ccc(-n2ccc(NCc3ncc(Br)s3)n2)c(F)c1 ZINC000542948560 566840750 /nfs/dbraw/zinc/84/07/50/566840750.db2.gz YDYZTHSHVJQVQN-UHFFFAOYSA-N 0 0 378.230 3.136 20 30 GGEDRN C=C(C)CN(C)C(=O)C(=O)Nc1cc(Cl)cc(Br)c1OC ZINC000679207401 566841343 /nfs/dbraw/zinc/84/13/43/566841343.db2.gz URMICHIORQPTGF-UHFFFAOYSA-N 0 0 375.650 3.084 20 30 GGEDRN C=CC1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)OC)CC1 ZINC000517709547 566841470 /nfs/dbraw/zinc/84/14/70/566841470.db2.gz NXUMYDDXWWCERM-UHFFFAOYSA-N 0 0 377.384 3.079 20 30 GGEDRN C=CCOc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000517706927 566842398 /nfs/dbraw/zinc/84/23/98/566842398.db2.gz IDFMFXNKBZVLFQ-UHFFFAOYSA-N 0 0 382.825 3.292 20 30 GGEDRN CC[C@](C)(NS(=O)(=O)c1ccc(C#N)c(Br)c1)C(F)(F)F ZINC000582218785 566842661 /nfs/dbraw/zinc/84/26/61/566842661.db2.gz YIDQMRDMVJFUNM-NSHDSACASA-N 0 0 385.205 3.330 20 30 GGEDRN CC[C@@](C)(NS(=O)(=O)c1ccc(C#N)c(Br)c1)C(F)(F)F ZINC000582218784 566842696 /nfs/dbraw/zinc/84/26/96/566842696.db2.gz YIDQMRDMVJFUNM-LLVKDONJSA-N 0 0 385.205 3.330 20 30 GGEDRN CS(=O)(=O)c1ccc(CNC(=O)c2cccc(SCC#N)c2)cc1Cl ZINC000428420899 566843564 /nfs/dbraw/zinc/84/35/64/566843564.db2.gz JFVWDLDJENHUTR-UHFFFAOYSA-N 0 0 394.905 3.289 20 30 GGEDRN C=CCOc1c(Br)cc(CN2CCN(CC)C(=O)[C@@H]2C)cc1OC ZINC000428440476 566843611 /nfs/dbraw/zinc/84/36/11/566843611.db2.gz ZGSBDMZFRXDQQR-ZDUSSCGKSA-N 0 0 397.313 3.075 20 30 GGEDRN C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000517721635 566844305 /nfs/dbraw/zinc/84/43/05/566844305.db2.gz GFVZRMMWWBPEQO-AWEZNQCLSA-N 0 0 385.339 3.324 20 30 GGEDRN O=S(=O)(C[C@H]1CCC(F)(F)C1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000632053292 566844423 /nfs/dbraw/zinc/84/44/23/566844423.db2.gz PZZKXIHGKVYJIU-XHNCKOQMSA-N 0 0 389.308 3.424 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c(F)c1 ZINC000610589287 566845059 /nfs/dbraw/zinc/84/50/59/566845059.db2.gz NEOCSVNTPVFFBP-DTORHVGOSA-N 0 0 390.280 3.059 20 30 GGEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2occc2Br)CC1 ZINC000610578366 566845068 /nfs/dbraw/zinc/84/50/68/566845068.db2.gz XVCSQVIYVUTSPA-HNNXBMFYSA-N 0 0 392.228 3.204 20 30 GGEDRN CCC1(CC)CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000451581055 566845043 /nfs/dbraw/zinc/84/50/43/566845043.db2.gz JAGIPXOOCPHKDU-UHFFFAOYSA-N 0 0 375.263 3.271 20 30 GGEDRN Cc1cc(CCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)ccc1Br ZINC000610578864 566845133 /nfs/dbraw/zinc/84/51/33/566845133.db2.gz WGDSUTKIRVEKHO-GOSISDBHSA-N 0 0 392.341 3.383 20 30 GGEDRN O=S(=O)(C[C@@H]1CCC(F)(F)C1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000632053291 566845101 /nfs/dbraw/zinc/84/51/01/566845101.db2.gz PZZKXIHGKVYJIU-VGMNWLOBSA-N 0 0 389.308 3.424 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCc2cc(Br)cs2)c(Cl)c1 ZINC000490387142 566845594 /nfs/dbraw/zinc/84/55/94/566845594.db2.gz WMNYRANLYSVEPH-UHFFFAOYSA-N 0 0 398.669 3.291 20 30 GGEDRN COCCN(C1CCCC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000610583544 566845774 /nfs/dbraw/zinc/84/57/74/566845774.db2.gz FLWAQRLXGQHLOX-UHFFFAOYSA-N 0 0 376.400 3.157 20 30 GGEDRN N#Cc1cc(Oc2ccc(NC(=O)Cn3cc(Br)cn3)cc2)ccn1 ZINC000517791988 566846782 /nfs/dbraw/zinc/84/67/82/566846782.db2.gz XKSFSIZMFWSZDK-UHFFFAOYSA-N 0 0 398.220 3.343 20 30 GGEDRN N#Cc1cncc(S(=O)(=O)Nc2cc3c(cc2Br)CCC3)c1 ZINC000517791611 566846914 /nfs/dbraw/zinc/84/69/14/566846914.db2.gz PWPRQHMDHPUBSF-UHFFFAOYSA-N 0 0 378.251 3.005 20 30 GGEDRN CCNC(=O)COc1cccc(CNc2ccc(Br)cc2C#N)c1 ZINC000543048998 566847149 /nfs/dbraw/zinc/84/71/49/566847149.db2.gz NRBPLVWBDFQRCQ-UHFFFAOYSA-N 0 0 388.265 3.448 20 30 GGEDRN C=CCOc1c(Br)cc(CN2CCN(C)C(=O)[C@@H]2C)cc1OCC ZINC000428468442 566847683 /nfs/dbraw/zinc/84/76/83/566847683.db2.gz DZMYUGWSIYNNSH-ZDUSSCGKSA-N 0 0 397.313 3.075 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(S(N)(=O)=O)s2)cc1 ZINC000517816871 566848811 /nfs/dbraw/zinc/84/88/11/566848811.db2.gz BIVBERDHJYJMKE-UHFFFAOYSA-N 0 0 380.451 3.187 20 30 GGEDRN C[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000610650668 566849819 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ZINC000564102106 566944996 /nfs/dbraw/zinc/94/49/96/566944996.db2.gz PJBQGKZHRWSOHG-UHFFFAOYSA-N 0 0 375.881 3.362 20 30 GGEDRN N#Cc1c(Br)cccc1OCC(=O)N1CCCc2occc2C1 ZINC000519522475 566945369 /nfs/dbraw/zinc/94/53/69/566945369.db2.gz QONHSIXRDIJBSX-UHFFFAOYSA-N 0 0 375.222 3.268 20 30 GGEDRN N#Cc1cc(F)ccc1NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000564093324 566945606 /nfs/dbraw/zinc/94/56/06/566945606.db2.gz PVEYGBGUOUMNSO-UHFFFAOYSA-N 0 0 388.251 3.395 20 30 GGEDRN C[C@H](C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1)n1cnc(C#N)n1 ZINC000564126845 566946615 /nfs/dbraw/zinc/94/66/15/566946615.db2.gz DTMPLWAFFVFYBS-LLVKDONJSA-N 0 0 378.263 3.424 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000564109867 566947284 /nfs/dbraw/zinc/94/72/84/566947284.db2.gz FXOKVWHQNKZHEX-BETUJISGSA-N 0 0 376.400 3.308 20 30 GGEDRN C[C@@H](C#N)CN(C)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000429738392 566947698 /nfs/dbraw/zinc/94/76/98/566947698.db2.gz WJCSWWPDDREDRS-LBPRGKRZSA-N 0 0 376.258 3.317 20 30 GGEDRN Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000583395233 566947811 /nfs/dbraw/zinc/94/78/11/566947811.db2.gz MIPMTECZFYKWTA-KRWDZBQOSA-N 0 0 398.260 3.371 20 30 GGEDRN COCCN(C(=O)c1cn2ccc(Br)cc2n1)c1ccc(C#N)cc1 ZINC000564135707 566948358 /nfs/dbraw/zinc/94/83/58/566948358.db2.gz UYSGGPHOBKMBJM-UHFFFAOYSA-N 0 0 399.248 3.262 20 30 GGEDRN N#Cc1ccc(Cl)c(C(=O)Nc2ccc(I)cn2)c1 ZINC000564135531 566949019 /nfs/dbraw/zinc/94/90/19/566949019.db2.gz RWZHRMRYZJJTCN-UHFFFAOYSA-N 0 0 383.576 3.464 20 30 GGEDRN O=c1c(I)cc(F)cn1CC#Cc1cccc(Cl)c1 ZINC000612030509 566949423 /nfs/dbraw/zinc/94/94/23/566949423.db2.gz ZGJGHBKGRIXITN-UHFFFAOYSA-N 0 0 387.579 3.297 20 30 GGEDRN CN(Cc1ccccc1Br)C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000583411312 566949514 /nfs/dbraw/zinc/94/95/14/566949514.db2.gz FCMLUDRZXVQCMC-UHFFFAOYSA-N 0 0 390.212 3.057 20 30 GGEDRN N#Cc1ccc(NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)cc1Br ZINC000564172311 566951441 /nfs/dbraw/zinc/95/14/41/566951441.db2.gz BAMWSHDOSYKZIM-SNVBAGLBSA-N 0 0 376.176 3.143 20 30 GGEDRN CSCC[C@](C)(C#N)NC(=O)c1csc(I)c1 ZINC000564169781 566951757 /nfs/dbraw/zinc/95/17/57/566951757.db2.gz IRDDUEMQBGKSNS-LLVKDONJSA-N 0 0 380.276 3.118 20 30 GGEDRN Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000564176299 566952128 /nfs/dbraw/zinc/95/21/28/566952128.db2.gz ZWQMMHIUBRNLRM-UHFFFAOYSA-N 0 0 393.262 3.285 20 30 GGEDRN C=C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OC)c(C(F)(F)F)c1 ZINC000583445829 566953037 /nfs/dbraw/zinc/95/30/37/566953037.db2.gz CCNXGNCOZDQOTH-NSHDSACASA-N 0 0 377.384 3.221 20 30 GGEDRN Cc1csc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)c1C#N ZINC000564190001 566953516 /nfs/dbraw/zinc/95/35/16/566953516.db2.gz IDVXXKLHALDTEX-UHFFFAOYSA-N 0 0 377.491 3.048 20 30 GGEDRN C[C@]1(C#N)CCCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000612121476 566953953 /nfs/dbraw/zinc/95/39/53/566953953.db2.gz TYAFXTQTDIRVLR-KBXCAEBGSA-N 0 0 391.313 3.363 20 30 GGEDRN C[C@@]1(C#N)CCCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000612121478 566954211 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CCOCCOc1ccc(Br)cc1NC(=O)N(C)C[C@H](C)C#N ZINC000493732956 566955314 /nfs/dbraw/zinc/95/53/14/566955314.db2.gz DAABDXFEARCFPM-GFCCVEGCSA-N 0 0 384.274 3.488 20 30 GGEDRN C[C@]1(C#N)CCCN(S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000612153335 566956717 /nfs/dbraw/zinc/95/67/17/566956717.db2.gz JJKZGVJGGCZEMQ-CYBMUJFWSA-N 0 0 379.226 3.042 20 30 GGEDRN COc1ccc2c(c1)CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C2 ZINC000612144170 566956765 /nfs/dbraw/zinc/95/67/65/566956765.db2.gz ZMJXLEVCJVPCOG-CQSZACIVSA-N 0 0 376.865 3.056 20 30 GGEDRN C[C@]1(C#N)CCCN(S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000612154086 566956804 /nfs/dbraw/zinc/95/68/04/566956804.db2.gz QQTDYWRCQCGVLL-CYBMUJFWSA-N 0 0 377.691 3.417 20 30 GGEDRN CCOc1ccc(S(=O)(=O)N2CCC[C@](C)(C#N)C2)cc1Br ZINC000612152502 566956922 /nfs/dbraw/zinc/95/69/22/566956922.db2.gz CCDKPJKJKAUUIE-OAHLLOKOSA-N 0 0 387.299 3.162 20 30 GGEDRN C[C@@]1(C#N)CCCN(S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000612154097 566956973 /nfs/dbraw/zinc/95/69/73/566956973.db2.gz 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C=CCOc1ccc(CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1Cl ZINC000564312799 566963812 /nfs/dbraw/zinc/96/38/12/566963812.db2.gz QDNKZOHKQQAIMH-MRXNPFEDSA-N 0 0 386.945 3.008 20 30 GGEDRN CCOC(=O)CSc1nnc(NC(=O)c2cccc(SCC#N)c2)s1 ZINC000429927000 566967627 /nfs/dbraw/zinc/96/76/27/566967627.db2.gz BEQMXMSKKRNCDW-UHFFFAOYSA-N 0 0 394.503 3.061 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CCc2cccs2)cc1 ZINC000429917590 566967722 /nfs/dbraw/zinc/96/77/22/566967722.db2.gz DCUUXDAYNVBONU-CYBMUJFWSA-N 0 0 377.491 3.140 20 30 GGEDRN N#Cc1cccc(NC(=O)CN2CCc3c(Br)ccc(F)c3C2)c1 ZINC000544529369 566968310 /nfs/dbraw/zinc/96/83/10/566968310.db2.gz CHNGEJMRPQBTKQ-UHFFFAOYSA-N 0 0 388.240 3.457 20 30 GGEDRN C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000452363440 566968583 /nfs/dbraw/zinc/96/85/83/566968583.db2.gz CHIVUMXSMRQUHG-IFIJOSMWSA-N 0 0 394.256 3.232 20 30 GGEDRN C[C@@]1(C#N)CCCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000612358250 566969237 /nfs/dbraw/zinc/96/92/37/566969237.db2.gz 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CCOC(=O)COc1c(Br)cc(C)cc1CN1CC[C@@](F)(C#N)C1 ZINC000615650252 567196678 /nfs/dbraw/zinc/19/66/78/567196678.db2.gz HLCVLYNFELUWPZ-QGZVFWFLSA-N 0 0 399.260 3.137 20 30 GGEDRN COc1cc(CN2CC[C@](F)(C#N)C2)cc(Br)c1OC(F)F ZINC000615651398 567196922 /nfs/dbraw/zinc/19/69/22/567196922.db2.gz IXCGMMXXLNQTQP-AWEZNQCLSA-N 0 0 379.176 3.497 20 30 GGEDRN N#C[C@]1(F)CCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000615662195 567197631 /nfs/dbraw/zinc/19/76/31/567197631.db2.gz SUSOHWAEGMIVIK-DOTOQJQBSA-N 0 0 380.261 3.050 20 30 GGEDRN Cc1nn(-c2ccc(C(=O)N3CC[C@@](F)(C#N)C3)cc2)c(C)c1Br ZINC000615662512 567197810 /nfs/dbraw/zinc/19/78/10/567197810.db2.gz VZLUKIYCUPRYJI-QGZVFWFLSA-N 0 0 391.244 3.329 20 30 GGEDRN N#C[C@@]1(F)CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000615663880 567198426 /nfs/dbraw/zinc/19/84/26/567198426.db2.gz GMKBZKSXAVPQRZ-YOEHRIQHSA-N 0 0 384.238 3.062 20 30 GGEDRN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3c(Cl)cc(C#N)cc3Cl)[C@H]2C1 ZINC000589945652 567198895 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CCOCCOc1ccc(Br)cc1NC(=O)N1CC(C)(C#N)C1 ZINC000498758333 567200184 /nfs/dbraw/zinc/20/01/84/567200184.db2.gz LGZDSXVBSHCPAW-UHFFFAOYSA-N 0 0 382.258 3.242 20 30 GGEDRN N#C[C@H](c1ccc(Br)cc1)N1CCN(c2ncnc3c2CCC3)CC1 ZINC000547329714 567202244 /nfs/dbraw/zinc/20/22/44/567202244.db2.gz LDSTYOBKUYSKMY-GOSISDBHSA-N 0 0 398.308 3.115 20 30 GGEDRN N#Cc1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)ccc1Cl ZINC000547347345 567202985 /nfs/dbraw/zinc/20/29/85/567202985.db2.gz NRVCGAFHGAKOFM-INIZCTEOSA-N 0 0 380.897 3.174 20 30 GGEDRN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000498842556 567204213 /nfs/dbraw/zinc/20/42/13/567204213.db2.gz RWABQYUZQFEZIY-XYPHTWIQSA-N 0 0 399.292 3.297 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCc3ccccc32)cc1Br ZINC000498812132 567204495 /nfs/dbraw/zinc/20/44/95/567204495.db2.gz CLODBZBMECCEDJ-CQSZACIVSA-N 0 0 398.260 3.105 20 30 GGEDRN C=CCN(CC1CCCCC1)C(=O)c1c(I)cnn1C ZINC000590033572 567204447 /nfs/dbraw/zinc/20/44/47/567204447.db2.gz 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3.229 20 30 GGEDRN C=CCCOCC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000684528831 567213704 /nfs/dbraw/zinc/21/37/04/567213704.db2.gz RYTAVRBDHQJLPR-ZDUSSCGKSA-N 0 0 396.203 3.210 20 30 GGEDRN N#Cc1ccc(CN2CCCNC(=O)[C@H]2Cc2ccccc2)c(Br)c1 ZINC000590192481 567213823 /nfs/dbraw/zinc/21/38/23/567213823.db2.gz CLIJJVDXKDKVFU-LJQANCHMSA-N 0 0 398.304 3.254 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)c1C#N ZINC000524766922 567213926 /nfs/dbraw/zinc/21/39/26/567213926.db2.gz RVVPMLZZTSQUFF-YOEHRIQHSA-N 0 0 398.260 3.240 20 30 GGEDRN CC(C)(C)CN(CCC#N)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433001536 567214440 /nfs/dbraw/zinc/21/44/40/567214440.db2.gz IRJOUEWEPXAFPC-UHFFFAOYSA-N 0 0 384.299 3.271 20 30 GGEDRN Cc1nc(CNC(=O)NCCc2cccc(C#N)c2)sc1Br ZINC000454936928 567214522 /nfs/dbraw/zinc/21/45/22/567214522.db2.gz QHQBRCXQQHRPHI-UHFFFAOYSA-N 0 0 379.283 3.128 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCc2cc(F)ccc2F)cc1Br ZINC000432995842 567214696 /nfs/dbraw/zinc/21/46/96/567214696.db2.gz DEUOIOKSROBHCJ-UHFFFAOYSA-N 0 0 387.205 3.077 20 30 GGEDRN CCn1c(=O)c(=Cc2cscc2Cl)sc1=C(C#N)C(=O)C(C)(C)CC ZINC000684536323 567214675 /nfs/dbraw/zinc/21/46/75/567214675.db2.gz ZNBJUAPKFVFYLK-UHFFFAOYSA-N 0 0 394.949 3.153 20 30 GGEDRN N#Cc1ccsc1NC(=O)C(=O)NCCCc1cccc(Br)c1 ZINC000590225131 567215224 /nfs/dbraw/zinc/21/52/24/567215224.db2.gz AVNOEPVCEFZSKR-UHFFFAOYSA-N 0 0 392.278 3.070 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N2CC3(C2)CCCCC3)ccc1Br ZINC000590239838 567215986 /nfs/dbraw/zinc/21/59/86/567215986.db2.gz KNDPPEFVZMCQQH-UHFFFAOYSA-N 0 0 376.254 3.052 20 30 GGEDRN CN(c1ccc(Cl)cn1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433007654 567216035 /nfs/dbraw/zinc/21/60/35/567216035.db2.gz ASGQWJKAPXYXOW-UHFFFAOYSA-N 0 0 386.658 3.194 20 30 GGEDRN CN(CC(=O)Nc1ccccc1Br)c1c(C#N)nnc2ccccc21 ZINC000524845950 567216204 /nfs/dbraw/zinc/21/62/04/567216204.db2.gz UMHFVLJCGCJCLV-UHFFFAOYSA-N 0 0 396.248 3.339 20 30 GGEDRN COc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C)c(Br)c1 ZINC000524855001 567216278 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377.242 3.391 20 30 GGEDRN N#CCN1CCC(NC(=O)Nc2cccc3c(Br)ccnc23)CC1 ZINC000590851379 567253587 /nfs/dbraw/zinc/25/35/87/567253587.db2.gz QXQYMCADPGPJPG-UHFFFAOYSA-N 0 0 388.269 3.107 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)NCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000475531283 567254569 /nfs/dbraw/zinc/25/45/69/567254569.db2.gz MOWCBRRBKSYBFH-UHFFFAOYSA-N 0 0 399.255 3.115 20 30 GGEDRN CC(C)(C)[C@@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000499516656 567254588 /nfs/dbraw/zinc/25/45/88/567254588.db2.gz KHCUVRJPAYZLAQ-KZULUSFZSA-N 0 0 392.297 3.247 20 30 GGEDRN N#CCCCCCC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000590879307 567254936 /nfs/dbraw/zinc/25/49/36/567254936.db2.gz DOYSYHXGVDEPQQ-CYBMUJFWSA-N 0 0 385.277 3.329 20 30 GGEDRN C=CCn1c(=O)c2ccsc2nc1SCc1nc(CC(F)(F)F)no1 ZINC000525622689 567255609 /nfs/dbraw/zinc/25/56/09/567255609.db2.gz XPLRNUKYOPNEQM-UHFFFAOYSA-N 0 0 388.396 3.424 20 30 GGEDRN CC(C)(C#N)CCS(=O)(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000567546777 567256229 /nfs/dbraw/zinc/25/62/29/567256229.db2.gz ARLCDRVZWHDDHF-LBPRGKRZSA-N 0 0 389.340 3.455 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)NCCCCOc2ccc(F)cc2)c1 ZINC000475559794 567257225 /nfs/dbraw/zinc/25/72/25/567257225.db2.gz QRUKKEOHKGWCQM-UHFFFAOYSA-N 0 0 382.844 3.488 20 30 GGEDRN N#CC1CN(C(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)C1 ZINC000590971386 567259295 /nfs/dbraw/zinc/25/92/95/567259295.db2.gz WYVVHWDJAKHUQS-UHFFFAOYSA-N 0 0 394.660 3.335 20 30 GGEDRN N#CC1(CS(=O)(=O)NCc2sccc2Br)CCCCC1 ZINC000475579785 567259626 /nfs/dbraw/zinc/25/96/26/567259626.db2.gz AQHFTWFOQZBNPT-UHFFFAOYSA-N 0 0 377.329 3.404 20 30 GGEDRN C=C(C)CCNC(=O)N(CCNC(C)=O)Cc1ccc(Br)s1 ZINC000455327653 567260924 /nfs/dbraw/zinc/26/09/24/567260924.db2.gz QLKMLRQOBISLOH-UHFFFAOYSA-N 0 0 388.331 3.125 20 30 GGEDRN Cc1c(Br)cc(C(=O)Nc2ccc(Cl)c(C#N)c2)c(=O)n1C ZINC000433596946 567260992 /nfs/dbraw/zinc/26/09/92/567260992.db2.gz RMEBSZJGZCBHBT-UHFFFAOYSA-N 0 0 380.629 3.234 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)C(=O)NCc1c(Cl)cccc1OC ZINC000567622007 567262856 /nfs/dbraw/zinc/26/28/56/567262856.db2.gz JHVFLPOMLDZSDA-UHFFFAOYSA-N 0 0 378.881 3.241 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N[C@@H]2COc3ccc(Cl)cc32)ccc1Cl ZINC000475626126 567262881 /nfs/dbraw/zinc/26/28/81/567262881.db2.gz OFZDRQSHWIUFLS-CQSZACIVSA-N 0 0 376.199 3.053 20 30 GGEDRN N#CC1(CS(=O)(=O)N2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC000499647763 567263394 /nfs/dbraw/zinc/26/33/94/567263394.db2.gz RNSWJYQOBAKURY-UHFFFAOYSA-N 0 0 383.311 3.262 20 30 GGEDRN C=CC(C)(C)CNC(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000455365187 567265295 /nfs/dbraw/zinc/26/52/95/567265295.db2.gz JXQWYYHLBQKPPS-UHFFFAOYSA-N 0 0 396.329 3.309 20 30 GGEDRN N#CC1(NC(=O)c2cc(I)c(Cl)cc2Cl)CC1 ZINC000567664812 567265375 /nfs/dbraw/zinc/26/53/75/567265375.db2.gz SOESJAYYZJATRQ-UHFFFAOYSA-N 0 0 381.000 3.384 20 30 GGEDRN N#Cc1ccc(CN2CCNC(=O)[C@@H]2c2ccc(Br)cc2)s1 ZINC000475672359 567267045 /nfs/dbraw/zinc/26/70/45/567267045.db2.gz SHRAWNLFMQNUAD-HNNXBMFYSA-N 0 0 376.279 3.055 20 30 GGEDRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC000475685355 567267929 /nfs/dbraw/zinc/26/79/29/567267929.db2.gz HQMXYTNREWHOPC-INIZCTEOSA-N 0 0 390.281 3.417 20 30 GGEDRN C[C@H](C(=O)N(CCC#N)CCN1CCOCC1)c1c(Cl)cccc1Cl ZINC000591160426 567268293 /nfs/dbraw/zinc/26/82/93/567268293.db2.gz VFMLEPDEWJSRPA-AWEZNQCLSA-N 0 0 384.307 3.171 20 30 GGEDRN C[C@@H](Sc1n[nH]c(Cc2cccs2)n1)C(=O)NC1(C#N)CCCCC1 ZINC000591200965 567268580 /nfs/dbraw/zinc/26/85/80/567268580.db2.gz YPMDGAHBKITEAW-GFCCVEGCSA-N 0 0 375.523 3.280 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000499744245 567269019 /nfs/dbraw/zinc/26/90/19/567269019.db2.gz SXIWLKPYRBYVGD-KZULUSFZSA-N 0 0 376.865 3.434 20 30 GGEDRN COC(=O)[C@H](c1ccsc1)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000499732498 567269631 /nfs/dbraw/zinc/26/96/31/567269631.db2.gz KYSHSMDRVUDCRJ-KRWDZBQOSA-N 0 0 375.881 3.309 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(F)cc1Br ZINC000547967445 567269797 /nfs/dbraw/zinc/26/97/97/567269797.db2.gz IZBKPNUBAAQLEA-UHFFFAOYSA-N 0 0 383.242 3.247 20 30 GGEDRN C=CCCC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)c(F)c1 ZINC000660142696 567270219 /nfs/dbraw/zinc/27/02/19/567270219.db2.gz BWVNKHIMGARXDT-UHFFFAOYSA-N 0 0 392.518 3.001 20 30 GGEDRN C=CCCC(C)(C)NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000660143068 567270473 /nfs/dbraw/zinc/27/04/73/567270473.db2.gz KCBBLVPBIQBFLQ-UHFFFAOYSA-N 0 0 388.287 3.054 20 30 GGEDRN C=CCCC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1F ZINC000660143555 567270575 /nfs/dbraw/zinc/27/05/75/567270575.db2.gz WYVMDSRUHNKURC-UHFFFAOYSA-N 0 0 392.518 3.001 20 30 GGEDRN C=CCCC(C)(C)NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000660143313 567270824 /nfs/dbraw/zinc/27/08/24/567270824.db2.gz PZKACNSMRVRJCB-UHFFFAOYSA-N 0 0 378.416 3.002 20 30 GGEDRN C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000499746235 567270939 /nfs/dbraw/zinc/27/09/39/567270939.db2.gz ZYFVTBIMNPSFSE-RAIGVLPGSA-N 0 0 376.309 3.165 20 30 GGEDRN C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000499746234 567271259 /nfs/dbraw/zinc/27/12/59/567271259.db2.gz ZYFVTBIMNPSFSE-DRZSPHRISA-N 0 0 376.309 3.165 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000499778472 567272508 /nfs/dbraw/zinc/27/25/08/567272508.db2.gz FUOOOYIKCCZAHT-LLVKDONJSA-N 0 0 391.269 3.192 20 30 GGEDRN C=CCn1cc(CNC(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)nn1 ZINC000567734113 567272624 /nfs/dbraw/zinc/27/26/24/567272624.db2.gz MRCVXIURHXCPAJ-MRXNPFEDSA-N 0 0 377.901 3.194 20 30 GGEDRN CN(C[C@H]1CC=CCC1)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000499781865 567272756 /nfs/dbraw/zinc/27/27/56/567272756.db2.gz ULKHVSHHXSRJKT-LBPRGKRZSA-N 0 0 376.254 3.074 20 30 GGEDRN N#CC1(NC(=O)CSc2nnc(-c3cccc(Br)c3)o2)CCC1 ZINC000525877007 567272834 /nfs/dbraw/zinc/27/28/34/567272834.db2.gz JJGRFSVJJFMDJZ-UHFFFAOYSA-N 0 0 393.266 3.154 20 30 GGEDRN COCCCCN(C(=O)c1cccc(C#N)n1)c1ccc(Br)cn1 ZINC000591302308 567273175 /nfs/dbraw/zinc/27/31/75/567273175.db2.gz YPKZTBMGGWVQRW-UHFFFAOYSA-N 0 0 389.253 3.184 20 30 GGEDRN CSc1nnc(CNC(=O)c2cc(C3CC3)nc(SC)c2C#N)s1 ZINC000525873998 567273421 /nfs/dbraw/zinc/27/34/21/567273421.db2.gz IRKNMUQQPARLDS-UHFFFAOYSA-N 0 0 377.520 3.056 20 30 GGEDRN Cc1ccc(Br)cc1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000525877157 567273638 /nfs/dbraw/zinc/27/36/38/567273638.db2.gz BQKWRCLXCMCMAE-UHFFFAOYSA-N 0 0 383.242 3.247 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000475773885 567274235 /nfs/dbraw/zinc/27/42/35/567274235.db2.gz NFYGVUWVFASYBE-KBXCAEBGSA-N 0 0 385.291 3.444 20 30 GGEDRN CC(C)(C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc(C#N)c1Br ZINC000591314285 567274687 /nfs/dbraw/zinc/27/46/87/567274687.db2.gz WEPMLGFRTKDTQN-ZDUSSCGKSA-N 0 0 378.270 3.296 20 30 GGEDRN C[C@@H]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc(C#N)c(Br)c3)C2)C1 ZINC000499831190 567275915 /nfs/dbraw/zinc/27/59/15/567275915.db2.gz FUSXNASEMNQOOI-XIKOKIGWSA-N 0 0 390.281 3.298 20 30 GGEDRN CC(C)C[C@H]1C(=O)NCCCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000455453736 567276380 /nfs/dbraw/zinc/27/63/80/567276380.db2.gz IOKHSSNDRFAKBV-HNNXBMFYSA-N 0 0 393.285 3.089 20 30 GGEDRN CCC(CC)CN(CCC#N)C(=O)c1ccc(I)cn1 ZINC000455453340 567276536 /nfs/dbraw/zinc/27/65/36/567276536.db2.gz AHTGRLKPHDORNS-UHFFFAOYSA-N 0 0 385.249 3.478 20 30 GGEDRN C=CCCOCCNS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000567781817 567277013 /nfs/dbraw/zinc/27/70/13/567277013.db2.gz QZSDAYKJTPEZNF-UHFFFAOYSA-N 0 0 382.707 3.115 20 30 GGEDRN O=C(Cc1ccccc1I)NCC#Cc1ccccc1 ZINC000433849707 567277147 /nfs/dbraw/zinc/27/71/47/567277147.db2.gz SIYWWAFZYPKWOG-UHFFFAOYSA-N 0 0 375.209 3.002 20 30 GGEDRN C=CCOc1c(Br)cc(CN2CCNC(=O)C[C@H]2C)cc1OCC ZINC000685469214 567277384 /nfs/dbraw/zinc/27/73/84/567277384.db2.gz SDISMZOFUJEJOY-CYBMUJFWSA-N 0 0 397.313 3.123 20 30 GGEDRN C=C1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Br)CC1 ZINC000433845014 567277358 /nfs/dbraw/zinc/27/73/58/567277358.db2.gz VBABXISVCSKOFS-UHFFFAOYSA-N 0 0 380.691 3.452 20 30 GGEDRN N#Cc1cc(F)c(NCCS(=O)(=O)c2ccccc2)cc1Br ZINC000567789339 567277486 /nfs/dbraw/zinc/27/74/86/567277486.db2.gz JZYSIMPNBYJHJF-UHFFFAOYSA-N 0 0 383.242 3.346 20 30 GGEDRN COC(=O)c1c(C)c(NC(=O)N2CC[C@](F)(C#N)C2)ccc1Br ZINC000617031698 567277706 /nfs/dbraw/zinc/27/77/06/567277706.db2.gz HQZTVMDCODGADS-HNNXBMFYSA-N 0 0 384.205 3.014 20 30 GGEDRN COC(=O)c1c(C)c(NC(=O)N2CC[C@@](F)(C#N)C2)ccc1Br ZINC000617031699 567277826 /nfs/dbraw/zinc/27/78/26/567277826.db2.gz HQZTVMDCODGADS-OAHLLOKOSA-N 0 0 384.205 3.014 20 30 GGEDRN COC(=O)c1cc(Br)cc(NC(=O)N2CC[C@@](F)(C#N)C2)c1C ZINC000591351776 567277896 /nfs/dbraw/zinc/27/78/96/567277896.db2.gz IZECHNOYMFNIIL-OAHLLOKOSA-N 0 0 384.205 3.014 20 30 GGEDRN C=CCC[C@@H](CO)NC(=O)Nc1cc(F)c(Br)cc1OCC ZINC000455468312 567278895 /nfs/dbraw/zinc/27/88/95/567278895.db2.gz UOSHWVYHPVVZTK-JTQLQIEISA-N 0 0 375.238 3.436 20 30 GGEDRN COCCOc1ccc(NS(=O)(=O)c2ccccc2CC#N)cc1Cl ZINC000475814397 567279008 /nfs/dbraw/zinc/27/90/08/567279008.db2.gz SCWYDXRVPBAPSD-UHFFFAOYSA-N 0 0 380.853 3.232 20 30 GGEDRN COc1cc(Br)cc(NS(=O)(=O)c2ccccc2CC#N)c1 ZINC000475807246 567279114 /nfs/dbraw/zinc/27/91/14/567279114.db2.gz HSTCDOBHFSNWPV-UHFFFAOYSA-N 0 0 381.251 3.325 20 30 GGEDRN COc1cc(Br)c(CNC(=O)c2ccc(F)c(C#N)c2)cc1OC ZINC000548091658 567279532 /nfs/dbraw/zinc/27/95/32/567279532.db2.gz GHDQGIGLNLQVEG-UHFFFAOYSA-N 0 0 393.212 3.407 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@H]2CSc3ccccc32)cc1Br ZINC000433870060 567279708 /nfs/dbraw/zinc/27/97/08/567279708.db2.gz OPYZKBUBUYYQCQ-AWEZNQCLSA-N 0 0 395.303 3.446 20 30 GGEDRN CN(CCc1cccs1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433865614 567279795 /nfs/dbraw/zinc/27/97/95/567279795.db2.gz RQHFOKCPHWECEZ-UHFFFAOYSA-N 0 0 385.308 3.245 20 30 GGEDRN COc1cc(NS(=O)(=O)c2ccccc2CC#N)ccc1Br ZINC000475818307 567280009 /nfs/dbraw/zinc/28/00/09/567280009.db2.gz KCXLWHVFKGXHJC-UHFFFAOYSA-N 0 0 381.251 3.325 20 30 GGEDRN COc1cc(C)cc(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000433870467 567280391 /nfs/dbraw/zinc/28/03/91/567280391.db2.gz QPXBSGCIAZIDRG-UHFFFAOYSA-N 0 0 395.278 3.116 20 30 GGEDRN N#Cc1cccc([C@H]2CN(C(=O)Nc3cc(Br)ccn3)CCO2)c1 ZINC000499894838 567281166 /nfs/dbraw/zinc/28/11/66/567281166.db2.gz JIVJCXABBGWOJM-OAHLLOKOSA-N 0 0 387.237 3.321 20 30 GGEDRN Cn1ncc(C(=O)NCCOc2ccc3cc(Br)ccc3c2)c1C#N ZINC000525995573 567281124 /nfs/dbraw/zinc/28/11/24/567281124.db2.gz GACQNRHLTGJCAR-UHFFFAOYSA-N 0 0 399.248 3.016 20 30 GGEDRN CS[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000433878693 567281323 /nfs/dbraw/zinc/28/13/23/567281323.db2.gz IGNCPLCWQGGGMV-NWDGAFQWSA-N 0 0 389.340 3.273 20 30 GGEDRN C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@@H]1CCOC1 ZINC000685551964 567282093 /nfs/dbraw/zinc/28/20/93/567282093.db2.gz KUGLWYPOQMJDAI-GFCCVEGCSA-N 0 0 393.285 3.127 20 30 GGEDRN C=CCn1c(COC)nnc1N1CCc2c(Br)cc(C)cc2C1 ZINC000685542232 567282202 /nfs/dbraw/zinc/28/22/02/567282202.db2.gz IZWVOQLXAKJMGQ-UHFFFAOYSA-N 0 0 377.286 3.244 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NC2(Cc3ccccc3)CC2)cc1Br ZINC000433891818 567282297 /nfs/dbraw/zinc/28/22/97/567282297.db2.gz 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C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC[C@@](O)(CC#N)C1 ZINC000592147499 567318829 /nfs/dbraw/zinc/31/88/29/567318829.db2.gz PHTDRFBQKPPHAF-BMIGLBTASA-N 0 0 375.778 3.036 20 30 GGEDRN Cc1cc(OCC(=O)Nc2ccccc2I)ccc1C#N ZINC000434649544 567319221 /nfs/dbraw/zinc/31/92/21/567319221.db2.gz ZXKPSFRXXXGTSW-UHFFFAOYSA-N 0 0 392.196 3.489 20 30 GGEDRN Cc1cc2c(o1)c(C(=O)NC[C@H]1CCCN(CC#N)C1)ccc2Br ZINC000527204101 567320640 /nfs/dbraw/zinc/32/06/40/567320640.db2.gz ASBWDESLEXIBBL-CYBMUJFWSA-N 0 0 390.281 3.469 20 30 GGEDRN C=C(C)COCCNS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000476406262 567321174 /nfs/dbraw/zinc/32/11/74/567321174.db2.gz DACBCIVSBFUELX-UHFFFAOYSA-N 0 0 384.295 3.473 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCCc3occc3C2)cc1Br ZINC000568356663 567320885 /nfs/dbraw/zinc/32/08/85/567320885.db2.gz CNYCATRZVFVWRN-UHFFFAOYSA-N 0 0 399.241 3.190 20 30 GGEDRN COc1cccc(C(C)(C)CNS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000476412236 567322112 /nfs/dbraw/zinc/32/21/12/567322112.db2.gz FUDGHBWYZHPMCA-UHFFFAOYSA-N 0 0 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GGEDRN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NCCOCC(F)(F)C(F)F ZINC000434767471 567327326 /nfs/dbraw/zinc/32/73/26/567327326.db2.gz PYXDVABYXFCPHC-UHFFFAOYSA-N 0 0 397.312 3.209 20 30 GGEDRN C[C@@H](C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)n1nnnc1C(C)(C)C ZINC000476481674 567327425 /nfs/dbraw/zinc/32/74/25/567327425.db2.gz BSDMHEOHUVPDBU-JOYOIKCWSA-N 0 0 381.267 3.219 20 30 GGEDRN Cc1cccc(CNS(=O)(=O)c2ccc(C#N)cc2F)c1Br ZINC000527290987 567327514 /nfs/dbraw/zinc/32/75/14/567327514.db2.gz WGMZVLWTURJJOL-UHFFFAOYSA-N 0 0 383.242 3.247 20 30 GGEDRN N#Cc1cnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)c(Cl)c1 ZINC000476485091 567327660 /nfs/dbraw/zinc/32/76/60/567327660.db2.gz AAEZTWCXDOSBFJ-UHFFFAOYSA-N 0 0 379.222 3.362 20 30 GGEDRN N#Cc1cccc(NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)n1 ZINC000592272186 567328300 /nfs/dbraw/zinc/32/83/00/567328300.db2.gz ZGYRLAGASISCEY-UHFFFAOYSA-N 0 0 377.235 3.009 20 30 GGEDRN CC1(C)CCCN(S(=O)(=O)c2cc(Br)c(F)cc2F)[C@H]1C#N ZINC000434781124 567329466 /nfs/dbraw/zinc/32/94/66/567329466.db2.gz 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567406261 /nfs/dbraw/zinc/40/62/61/567406261.db2.gz AVIVZCFHKMLKNB-UHFFFAOYSA-N 0 0 377.388 3.345 20 30 GGEDRN CS(=O)(=O)[C@H]1CCC[C@H](Nc2cc(Br)c(C#N)cc2F)C1 ZINC000569471590 567406918 /nfs/dbraw/zinc/40/69/18/567406918.db2.gz JYLIHNCCBPFFOH-QWRGUYRKSA-N 0 0 375.263 3.228 20 30 GGEDRN C=CCn1cccc1C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456713729 567407393 /nfs/dbraw/zinc/40/73/93/567407393.db2.gz JBVMDTDUESSAGK-AWEZNQCLSA-N 0 0 395.272 3.157 20 30 GGEDRN CSc1ccc(Cl)cc1NC(=O)C(=O)NCC#Cc1cccc(F)c1 ZINC000549738733 567407401 /nfs/dbraw/zinc/40/74/01/567407401.db2.gz QNUVNEQXOBUBRW-UHFFFAOYSA-N 0 0 376.840 3.307 20 30 GGEDRN C[C@@]1(C#N)CCCN(C(=O)CCOc2ccccc2I)C1 ZINC000618701501 567407365 /nfs/dbraw/zinc/40/73/65/567407365.db2.gz KORIRRVYBQZJPA-INIZCTEOSA-N 0 0 398.244 3.212 20 30 GGEDRN C[C@H](CCc1ccc(I)cc1)NC(=O)C1(C#N)CCC1 ZINC000477661753 567407493 /nfs/dbraw/zinc/40/74/93/567407493.db2.gz JRTPHSNSMRLONB-GFCCVEGCSA-N 0 0 382.245 3.422 20 30 GGEDRN N#CC1(NC(=O)c2ccc(Br)c3c2OCCC3)CCSCC1 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COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)c1cc(C#N)oc1C ZINC000436157818 567409840 /nfs/dbraw/zinc/40/98/40/567409840.db2.gz XETSHEXNEXKBGR-OAHLLOKOSA-N 0 0 391.221 3.209 20 30 GGEDRN N#Cc1cn(Cc2cc3n(n2)CCCC3)c2ccc(Br)cc2c1=O ZINC000593423870 567411768 /nfs/dbraw/zinc/41/17/68/567411768.db2.gz NAHJAXRCZWPCQW-UHFFFAOYSA-N 0 0 383.249 3.217 20 30 GGEDRN C=CCC1(C(=O)NC[C@H](CO)Cc2cc(Br)ccc2OC)CCC1 ZINC000456728617 567412186 /nfs/dbraw/zinc/41/21/86/567412186.db2.gz RBYUXHATRBXENN-CQSZACIVSA-N 0 0 396.325 3.471 20 30 GGEDRN C[C@@H](CC#N)NC(=O)c1cc(I)ccc1N1CCCCC1 ZINC000593437770 567413477 /nfs/dbraw/zinc/41/34/77/567413477.db2.gz WLLQOKLUSPWSFL-LBPRGKRZSA-N 0 0 397.260 3.313 20 30 GGEDRN CC(C)[C@H](C#N)N1CCN(c2ncnc3cc(Br)sc32)CC1 ZINC000593461846 567414997 /nfs/dbraw/zinc/41/49/97/567414997.db2.gz PVQSCZJQSQJVLU-LBPRGKRZSA-N 0 0 380.315 3.124 20 30 GGEDRN CCOC(=O)c1cc(Br)ccc1NC(=O)N1CCC(F)(C#N)CC1 ZINC000477761741 567415062 /nfs/dbraw/zinc/41/50/62/567415062.db2.gz PPMFKVNSQKBHIU-UHFFFAOYSA-N 0 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C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccc(I)c1 ZINC000436272887 567417391 /nfs/dbraw/zinc/41/73/91/567417391.db2.gz IUYSPSBSSYTVBZ-RISCZKNCSA-N 0 0 386.233 3.394 20 30 GGEDRN C=CCC[C@@H](CO)NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000456777187 567417874 /nfs/dbraw/zinc/41/78/74/567417874.db2.gz MOSRKBCNZFQLNR-DLBZAZTESA-N 0 0 381.314 3.029 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)c1cnn(-c2cccc(Br)c2)c1C ZINC000456780704 567417961 /nfs/dbraw/zinc/41/79/61/567417961.db2.gz RTDYVFZGKNCGOU-CQSZACIVSA-N 0 0 378.270 3.000 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000456777190 567418014 /nfs/dbraw/zinc/41/80/14/567418014.db2.gz MOSRKBCNZFQLNR-SJORKVTESA-N 0 0 381.314 3.029 20 30 GGEDRN N#Cc1cc(Br)cn(CCOc2ccccc2Br)c1=O ZINC000569627188 567418485 /nfs/dbraw/zinc/41/84/85/567418485.db2.gz KCDNEBTUCBBVRF-UHFFFAOYSA-N 0 0 398.054 3.324 20 30 GGEDRN C=C(C)CN(CC)C(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000477797556 567418646 /nfs/dbraw/zinc/41/86/46/567418646.db2.gz YPCXPUCQTCUZTE-UHFFFAOYSA-N 0 0 393.325 3.412 20 30 GGEDRN N#CCC1CCN(C(=O)CCOc2ccccc2I)CC1 ZINC000618859265 567419440 /nfs/dbraw/zinc/41/94/40/567419440.db2.gz TYCPOECLSIYKJY-UHFFFAOYSA-N 0 0 398.244 3.212 20 30 GGEDRN Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618880452 567420522 /nfs/dbraw/zinc/42/05/22/567420522.db2.gz JEWBCKIXTQXLMK-QGZVFWFLSA-N 0 0 398.260 3.371 20 30 GGEDRN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)Nc1ccccc1Br ZINC000618880255 567420814 /nfs/dbraw/zinc/42/08/14/567420814.db2.gz GJKRDQKNYIRNSF-HNNXBMFYSA-N 0 0 384.233 3.063 20 30 GGEDRN C=CCC1(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CCCC1 ZINC000569663824 567420798 /nfs/dbraw/zinc/42/07/98/567420798.db2.gz XJIJBNFEIGXRHJ-OAHLLOKOSA-N 0 0 382.551 3.154 20 30 GGEDRN Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618880787 567420881 /nfs/dbraw/zinc/42/08/81/567420881.db2.gz BHGLKQRCKGSMFU-KRWDZBQOSA-N 0 0 398.260 3.371 20 30 GGEDRN O=C(NC[C@@H](O)C(F)F)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000436398991 567422707 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CCO[C@@H]1CCCC[C@H]1NC(=O)COc1cccc(Br)c1C#N ZINC000456962059 567428869 /nfs/dbraw/zinc/42/88/69/567428869.db2.gz OGEHINGXQPBRKR-GDBMZVCRSA-N 0 0 381.270 3.163 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CC[C@H](c3ccco3)C2)cc1Br ZINC000618993297 567429143 /nfs/dbraw/zinc/42/91/43/567429143.db2.gz GKJAMTOWTVLBBE-LBPRGKRZSA-N 0 0 381.251 3.092 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1cccc(C#N)c1 ZINC000618995330 567429206 /nfs/dbraw/zinc/42/92/06/567429206.db2.gz XOWOAQZXCZRHNG-LLVKDONJSA-N 0 0 390.262 3.232 20 30 GGEDRN Cc1ccncc1[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000619000480 567429375 /nfs/dbraw/zinc/42/93/75/567429375.db2.gz HHVFNWPTEXNQJR-LLVKDONJSA-N 0 0 380.267 3.064 20 30 GGEDRN CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)[C@@H](CC)CO1 ZINC000593628823 567429814 /nfs/dbraw/zinc/42/98/14/567429814.db2.gz BKWMIDUBQWJTNM-UONOGXRCSA-N 0 0 376.400 3.155 20 30 GGEDRN CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@@H](CC)CO1 ZINC000593629987 567429939 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CC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@@H](CC)CO1 ZINC000593630212 567431427 /nfs/dbraw/zinc/43/14/27/567431427.db2.gz SVJPCXKTCHDLFZ-STQMWFEESA-N 0 0 376.400 3.155 20 30 GGEDRN N#Cc1cc(S(=O)(=O)N2CCC3(CC3(F)F)CC2)ccc1C(F)(F)F ZINC000593648286 567431662 /nfs/dbraw/zinc/43/16/62/567431662.db2.gz IJVLIZHSHBAOCP-UHFFFAOYSA-N 0 0 380.338 3.387 20 30 GGEDRN CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](CC)CO1 ZINC000593630201 567431728 /nfs/dbraw/zinc/43/17/28/567431728.db2.gz SPGAGEDUDJFTKG-QWHCGFSZSA-N 0 0 376.400 3.155 20 30 GGEDRN CC[C@@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)N1CCO[C@H](CC)C1 ZINC000550201380 567432370 /nfs/dbraw/zinc/43/23/70/567432370.db2.gz WWZYHWXYJXJMPQ-IKGGRYGDSA-N 0 0 394.313 3.019 20 30 GGEDRN N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3c2cccc3Br)cc1 ZINC000569803100 567432757 /nfs/dbraw/zinc/43/27/57/567432757.db2.gz CGYXRICTFJMBAA-KUHUBIRLSA-N 0 0 387.277 3.338 20 30 GGEDRN CC(C)C[C@](C)(C#N)NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000502415778 567432806 /nfs/dbraw/zinc/43/28/06/567432806.db2.gz LCYTXVHFQLANEV-SCLBCKFNSA-N 0 0 392.297 3.247 20 30 GGEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2ncc(Br)s2)CC1 ZINC000619049757 567432824 /nfs/dbraw/zinc/43/28/24/567432824.db2.gz RRCDLQRPLBFIDV-CQSZACIVSA-N 0 0 395.301 3.427 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)c1cc(F)c(Cl)cc1Cl ZINC000550219544 567433899 /nfs/dbraw/zinc/43/38/99/567433899.db2.gz NUHXAOFWRSAMOU-MRVPVSSYSA-N 0 0 381.194 3.215 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)NCCn2cc(Br)cn2)cc1C#N ZINC000478052137 567434190 /nfs/dbraw/zinc/43/41/90/567434190.db2.gz XSCYOLHWQOSLJA-UHFFFAOYSA-N 0 0 392.257 3.126 20 30 GGEDRN C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)c1ccccc1 ZINC000550219282 567434262 /nfs/dbraw/zinc/43/42/62/567434262.db2.gz KDAQCPJODABFRB-GFCCVEGCSA-N 0 0 386.249 3.179 20 30 GGEDRN CC[C@@H](C#N)C(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000593678808 567434414 /nfs/dbraw/zinc/43/44/14/567434414.db2.gz RAGLDPOJVSUPAW-QPUJVOFHSA-N 0 0 379.176 3.167 20 30 GGEDRN CC[C@H](C#N)C(=O)Nc1ccc(CNC(=O)[C@H](C#N)CC)c(Br)c1 ZINC000593717416 567435714 /nfs/dbraw/zinc/43/57/14/567435714.db2.gz GEGKKBBPFDIEED-NWDGAFQWSA-N 0 0 391.269 3.103 20 30 GGEDRN C=CCC1(NC(=O)CN2C(=O)COc3cc(Br)ccc32)CCCC1 ZINC000619113846 567435777 /nfs/dbraw/zinc/43/57/77/567435777.db2.gz HRCIETGOGXTHQH-UHFFFAOYSA-N 0 0 393.281 3.180 20 30 GGEDRN CC[C@H](C#N)C(=O)NCc1ccc(NC(=O)[C@@H](C#N)CC)cc1Br ZINC000593717419 567435991 /nfs/dbraw/zinc/43/59/91/567435991.db2.gz GEGKKBBPFDIEED-VXGBXAGGSA-N 0 0 391.269 3.103 20 30 GGEDRN CC[C@H](C#N)C(=O)NCc1ccc(NC(=O)[C@H](C#N)CC)cc1Br ZINC000593717415 567436175 /nfs/dbraw/zinc/43/61/75/567436175.db2.gz GEGKKBBPFDIEED-NEPJUHHUSA-N 0 0 391.269 3.103 20 30 GGEDRN C[C@@H]1CC(F)(F)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000528547696 567436322 /nfs/dbraw/zinc/43/63/22/567436322.db2.gz HPSHDJKDPKNKOQ-SECBINFHSA-N 0 0 379.226 3.129 20 30 GGEDRN CC[C@H](C#N)C(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000593728538 567437649 /nfs/dbraw/zinc/43/76/49/567437649.db2.gz PXUPYPIIPUAYIE-GFCCVEGCSA-N 0 0 383.261 3.346 20 30 GGEDRN N#Cc1ccc(C2(NS(=O)(=O)c3ccccc3Cl)CCOCC2)cc1 ZINC000528548983 567437672 /nfs/dbraw/zinc/43/76/72/567437672.db2.gz CQLZTNXUVMKUPQ-UHFFFAOYSA-N 0 0 376.865 3.196 20 30 GGEDRN C[C@@H](CO)NC(=O)c1ccc(NCc2ccc(Br)cc2C#N)cc1 ZINC000569851989 567437906 /nfs/dbraw/zinc/43/79/06/567437906.db2.gz KPCNDBJGEGPDKM-LBPRGKRZSA-N 0 0 388.265 3.043 20 30 GGEDRN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000550273167 567438667 /nfs/dbraw/zinc/43/86/67/567438667.db2.gz URVIUTKWVNGATE-SNVBAGLBSA-N 0 0 377.231 3.418 20 30 GGEDRN CC(C)(C#N)CCS(=O)(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000569872383 567438922 /nfs/dbraw/zinc/43/89/22/567438922.db2.gz GISMBNSDBRICTC-UHFFFAOYSA-N 0 0 378.416 3.125 20 30 GGEDRN N#Cc1cc(CN2CCNC(=O)[C@@H]2c2ccccc2Br)ccc1F ZINC000502517264 567439667 /nfs/dbraw/zinc/43/96/67/567439667.db2.gz QIOPNSCCSPQUEI-KRWDZBQOSA-N 0 0 388.240 3.133 20 30 GGEDRN C[C@]1(C#N)CCCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000619210405 567440298 /nfs/dbraw/zinc/44/02/98/567440298.db2.gz JQFLCQRAYJVVCI-MRXNPFEDSA-N 0 0 389.257 3.187 20 30 GGEDRN Cc1onc(CC(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c1C#N ZINC000593789633 567440823 /nfs/dbraw/zinc/44/08/23/567440823.db2.gz NRXDSFSCUTUZCV-UHFFFAOYSA-N 0 0 379.247 3.053 20 30 GGEDRN N#Cc1ccc(CN2CCNC(=O)[C@@H]2c2ccccc2Br)c(F)c1 ZINC000502530339 567441056 /nfs/dbraw/zinc/44/10/56/567441056.db2.gz KPFZFXZAUNSECL-KRWDZBQOSA-N 0 0 388.240 3.133 20 30 GGEDRN COc1ccc([C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C2CC2)cn1 ZINC000528592378 567441296 /nfs/dbraw/zinc/44/12/96/567441296.db2.gz MGWWLIGKFBFRIC-QGZVFWFLSA-N 0 0 377.853 3.045 20 30 GGEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC000569890964 567442385 /nfs/dbraw/zinc/44/23/85/567442385.db2.gz UPVQPZYDGLUABB-GJZGRUSLSA-N 0 0 392.301 3.370 20 30 GGEDRN N#CCN1CCC(NC(=O)Cc2csc3ccc(Br)cc23)CC1 ZINC000619286654 567444090 /nfs/dbraw/zinc/44/40/90/567444090.db2.gz LCMRUPNCFOJPDU-UHFFFAOYSA-N 0 0 392.322 3.310 20 30 GGEDRN C[C@H]1c2ccccc2CCN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000550385064 567444383 /nfs/dbraw/zinc/44/43/83/567444383.db2.gz NUXZVPXOSJYDNV-LBPRGKRZSA-N 0 0 398.260 3.405 20 30 GGEDRN N#Cc1c(Br)cccc1OCC(=O)NCCOCC1CCCC1 ZINC000457164703 567445374 /nfs/dbraw/zinc/44/53/74/567445374.db2.gz UCLJMFLAJLAVFW-UHFFFAOYSA-N 0 0 381.270 3.023 20 30 GGEDRN CCC1(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CC1 ZINC000502656322 567445731 /nfs/dbraw/zinc/44/57/31/567445731.db2.gz LQKYQTOPGHLIQJ-MRXNPFEDSA-N 0 0 376.298 3.348 20 30 GGEDRN N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCCc2occc21 ZINC000550431457 567446509 /nfs/dbraw/zinc/44/65/09/567446509.db2.gz IKEJMIZTKZHWIY-CYBMUJFWSA-N 0 0 381.251 3.270 20 30 GGEDRN N#Cc1cn(Cc2cc3c(c(Br)c2)OCO3)c2ccccc2c1=O ZINC000502681996 567446641 /nfs/dbraw/zinc/44/66/41/567446641.db2.gz KEGLTMOFLAHDJL-UHFFFAOYSA-N 0 0 383.201 3.413 20 30 GGEDRN C=CCN(CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1cc(Br)ccc1F ZINC000502660982 567446978 /nfs/dbraw/zinc/44/69/78/567446978.db2.gz 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/nfs/dbraw/zinc/57/89/52/567578952.db2.gz LISYNDGMUPFFQA-RDJZCZTQSA-N 0 0 384.567 3.078 20 30 GGEDRN C=CCCSCCNC(=O)N1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000595724515 567579014 /nfs/dbraw/zinc/57/90/14/567579014.db2.gz LYQARIZUNYACKS-CQSZACIVSA-N 0 0 383.539 3.476 20 30 GGEDRN C=CCCSCCNC(=O)N1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000595724589 567579036 /nfs/dbraw/zinc/57/90/36/567579036.db2.gz OCYRNWIJCMQBBH-CYBMUJFWSA-N 0 0 383.539 3.394 20 30 GGEDRN Cc1ccc2c(ncc(C#N)c2NCc2ccc(C(N)=O)nc2)c1Br ZINC000480056587 567579209 /nfs/dbraw/zinc/57/92/09/567579209.db2.gz GBOUTBDDGJJKEY-UHFFFAOYSA-N 0 0 396.248 3.283 20 30 GGEDRN N#C[C@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1c(Cl)cccc1Cl ZINC000505511561 567579611 /nfs/dbraw/zinc/57/96/11/567579611.db2.gz FTCTUFWJBJXZEH-KWQFWETISA-N 0 0 394.180 3.085 20 30 GGEDRN N#C[C@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1c(Cl)cccc1Cl ZINC000505511560 567580074 /nfs/dbraw/zinc/58/00/74/567580074.db2.gz FTCTUFWJBJXZEH-KCJUWKMLSA-N 0 0 394.180 3.085 20 30 GGEDRN CN(CC(=O)NC1(C#N)CCCCC1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595751481 567580139 /nfs/dbraw/zinc/58/01/39/567580139.db2.gz RHNPMRRQYHQIIZ-HNNXBMFYSA-N 0 0 384.307 3.301 20 30 GGEDRN COc1cc(Br)cc(NC(=O)C(=O)Nc2cccc(C#N)c2C)c1 ZINC000439308572 567580914 /nfs/dbraw/zinc/58/09/14/567580914.db2.gz XBPUPEMAFOKOIX-UHFFFAOYSA-N 0 0 388.221 3.215 20 30 GGEDRN C=CCN(C(=O)NCc1cn2cc(Br)cc(C)c2n1)[C@@H](C)COC ZINC000664660999 567581709 /nfs/dbraw/zinc/58/17/09/567581709.db2.gz SRBPHGBJIRNWOX-ZDUSSCGKSA-N 0 0 395.301 3.138 20 30 GGEDRN N#C[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1c(Cl)cccc1Cl ZINC000505539559 567581790 /nfs/dbraw/zinc/58/17/90/567581790.db2.gz HVWILVCHLMVHSP-XHDPSFHLSA-N 0 0 380.275 3.465 20 30 GGEDRN C=CCN(C(=O)NCc1cn2cc(Br)cc(C)c2n1)[C@H](C)COC ZINC000664660998 567581940 /nfs/dbraw/zinc/58/19/40/567581940.db2.gz SRBPHGBJIRNWOX-CYBMUJFWSA-N 0 0 395.301 3.138 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N(CC)c2cccc(Cl)c2)cc1 ZINC000505534056 567582302 /nfs/dbraw/zinc/58/23/02/567582302.db2.gz QOOMCMWLEHDJKG-UHFFFAOYSA-N 0 0 378.881 3.471 20 30 GGEDRN CSCC[C@](C)(C#N)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000571716752 567584043 /nfs/dbraw/zinc/58/40/43/567584043.db2.gz ITAUHWULHQTNRL-CQSZACIVSA-N 0 0 386.271 3.431 20 30 GGEDRN C[C@@]1(c2ccc(Br)cc2)C[C@@]12NC(=O)N([C@@H]1CC[C@H](C#N)C1)C2=O ZINC000530202178 567584402 /nfs/dbraw/zinc/58/44/02/567584402.db2.gz RQGAGIYGSORWPG-GITXURBOSA-N 0 0 388.265 3.093 20 30 GGEDRN C[C@@]1(c2ccc(Br)cc2)C[C@@]12NC(=O)N(CC1(C#N)CCC1)C2=O ZINC000530203800 567584510 /nfs/dbraw/zinc/58/45/10/567584510.db2.gz YJCYYGYIBJROEO-WMZOPIPTSA-N 0 0 388.265 3.095 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)c(Br)c2)C1=O ZINC000439424001 567585479 /nfs/dbraw/zinc/58/54/79/567585479.db2.gz QSPQJOGFOJOSNK-CYBMUJFWSA-N 0 0 386.677 3.353 20 30 GGEDRN C=C(C)CN(CC)C(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000480183086 567586126 /nfs/dbraw/zinc/58/61/26/567586126.db2.gz OJLDUOMVENQULV-AWEZNQCLSA-N 0 0 381.314 3.311 20 30 GGEDRN C=C(C)CN(CC)C(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000480183087 567586227 /nfs/dbraw/zinc/58/62/27/567586227.db2.gz OJLDUOMVENQULV-CQSZACIVSA-N 0 0 381.314 3.311 20 30 GGEDRN C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1csnn1 ZINC000571764275 567586299 /nfs/dbraw/zinc/58/62/99/567586299.db2.gz UVNQPHKRQASLDX-LLVKDONJSA-N 0 0 375.523 3.420 20 30 GGEDRN C=CCCCS(=O)(=O)NCc1c(F)c(F)c(Br)c(F)c1F ZINC000644871338 567586421 /nfs/dbraw/zinc/58/64/21/567586421.db2.gz DWQJXBIKWIAHKT-UHFFFAOYSA-N 0 0 390.196 3.391 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(Br)c(Cl)c2)C1=O ZINC000439447812 567586634 /nfs/dbraw/zinc/58/66/34/567586634.db2.gz YINUGWZEIQGSCL-ZDUSSCGKSA-N 0 0 386.677 3.353 20 30 GGEDRN CCNS(=O)(=O)c1ccc2c(c1)N(Cc1ccc(C#N)cc1Cl)CC2 ZINC000439438568 567587006 /nfs/dbraw/zinc/58/70/06/567587006.db2.gz LIKLESUJCHPSOY-UHFFFAOYSA-N 0 0 375.881 3.073 20 30 GGEDRN C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1csnn1 ZINC000571764280 567587670 /nfs/dbraw/zinc/58/76/70/567587670.db2.gz UVNQPHKRQASLDX-NSHDSACASA-N 0 0 375.523 3.420 20 30 GGEDRN C[C@H](NCc1ccc(C#N)cc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000439440270 567587730 /nfs/dbraw/zinc/58/77/30/567587730.db2.gz OHYGBVNIPJNEHT-ZDUSSCGKSA-N 0 0 377.897 3.313 20 30 GGEDRN N#Cc1cc(F)c(N2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1Br ZINC000571776952 567587828 /nfs/dbraw/zinc/58/78/28/567587828.db2.gz NVNWNRVDEJCIFA-JCURWCKSSA-N 0 0 383.261 3.216 20 30 GGEDRN C=CCN(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H](C)COC ZINC000664773390 567588106 /nfs/dbraw/zinc/58/81/06/567588106.db2.gz WCBMBNRPFMTQRV-HOCLYGCPSA-N 0 0 396.329 3.260 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](C)[C@@H](CO)C1 ZINC000621473723 567588341 /nfs/dbraw/zinc/58/83/41/567588341.db2.gz MJTAIEXZMNLBTM-QWHCGFSZSA-N 0 0 383.286 3.496 20 30 GGEDRN CCOC(=O)[C@]1(COC)CCCN(Cc2cc(C#N)ccc2Br)C1 ZINC000439466436 567588323 /nfs/dbraw/zinc/58/83/23/567588323.db2.gz HPGVUTXVWFYSDC-GOSISDBHSA-N 0 0 395.297 3.112 20 30 GGEDRN Cc1cc(C#N)cnc1C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000552414014 567588691 /nfs/dbraw/zinc/58/86/91/567588691.db2.gz GLKHVRHJGGLVBN-UHFFFAOYSA-N 0 0 383.249 3.478 20 30 GGEDRN COC[C@@](C)(NCC(=O)N(CCC#N)c1cccc(Cl)c1)C(F)(F)F ZINC000595871528 567588677 /nfs/dbraw/zinc/58/86/77/567588677.db2.gz QGVQQNSEYPXRJC-OAHLLOKOSA-N 0 0 377.794 3.144 20 30 GGEDRN N#Cc1cccc(CN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)c1 ZINC000480225358 567590233 /nfs/dbraw/zinc/59/02/33/567590233.db2.gz GLZKUDNSZLEAMT-INIZCTEOSA-N 0 0 391.290 3.329 20 30 GGEDRN C=CCCCCNC(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000480219686 567590546 /nfs/dbraw/zinc/59/05/46/567590546.db2.gz QAVWPGYNEJNEEO-CQSZACIVSA-N 0 0 381.314 3.359 20 30 GGEDRN C=CC[C@@H](CC)NC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000439505216 567590869 /nfs/dbraw/zinc/59/08/69/567590869.db2.gz XQRIDGBYSPRCME-LLVKDONJSA-N 0 0 379.404 3.003 20 30 GGEDRN Cc1ccc(S(=O)(=O)CCC(=O)N[C@H](C#N)c2ccccc2Cl)cc1 ZINC000505690490 567591892 /nfs/dbraw/zinc/59/18/92/567591892.db2.gz ROYRVGXIAZDKOO-QGZVFWFLSA-N 0 0 376.865 3.193 20 30 GGEDRN C=CCN(C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)[C@@H](C)COC ZINC000664832758 567592157 /nfs/dbraw/zinc/59/21/57/567592157.db2.gz KTELRVBQQUYXHD-IINYFYTJSA-N 0 0 387.249 3.254 20 30 GGEDRN COc1ccc(Br)c(-c2nnc(N3CCC(CC#N)CC3)n2C)c1 ZINC000571822533 567592555 /nfs/dbraw/zinc/59/25/55/567592555.db2.gz PRDVLSNQSPNCRQ-UHFFFAOYSA-N 0 0 390.285 3.383 20 30 GGEDRN C=CCN(CCOC)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621553070 567592571 /nfs/dbraw/zinc/59/25/71/567592571.db2.gz MMDQKOCMPFBTSP-UHFFFAOYSA-N 0 0 377.229 3.385 20 30 GGEDRN C=CC(C)(C)CNC(=O)N(C)[C@H](CO)c1cc(OC)ccc1Br ZINC000458983583 567592722 /nfs/dbraw/zinc/59/27/22/567592722.db2.gz DSXSRHLGYHJJJW-OAHLLOKOSA-N 0 0 385.302 3.345 20 30 GGEDRN C=C(C)COCCNC(=O)NCc1c(F)c(F)c(Br)c(F)c1F ZINC000644942405 567593054 /nfs/dbraw/zinc/59/30/54/567593054.db2.gz VJTLJQQEQCVNDO-UHFFFAOYSA-N 0 0 399.182 3.397 20 30 GGEDRN Cc1ccc(F)c(NCC(=O)NCc2ccc(C#N)cc2)c1Br ZINC000480306254 567596021 /nfs/dbraw/zinc/59/60/21/567596021.db2.gz RBJQMFBHAREOSP-UHFFFAOYSA-N 0 0 376.229 3.497 20 30 GGEDRN CC1(C)CN(C(=O)CCOCC(F)(F)C(F)F)C[C@@](C)(C(F)(F)F)O1 ZINC000505778974 567596063 /nfs/dbraw/zinc/59/60/63/567596063.db2.gz VFFSOAKCHVUMGH-LBPRGKRZSA-N 0 0 383.304 3.252 20 30 GGEDRN N#CCCn1ccc(NC(=O)Nc2cc(F)c(Br)cc2Cl)n1 ZINC000439618816 567596096 /nfs/dbraw/zinc/59/60/96/567596096.db2.gz NLBTXXOQNOXGIN-UHFFFAOYSA-N 0 0 386.612 3.418 20 30 GGEDRN COC[C@@H]1CN(c2c(C#N)cnc3c(Br)c(C)ccc32)C[C@@H](C)O1 ZINC000480338602 567596912 /nfs/dbraw/zinc/59/69/12/567596912.db2.gz VHQGRXBZKBJBBN-OCCSQVGLSA-N 0 0 390.281 3.418 20 30 GGEDRN COCCO[C@@H]1CCN(c2c(C#N)cnc3c(Br)c(C)ccc32)C1 ZINC000480328131 567597232 /nfs/dbraw/zinc/59/72/32/567597232.db2.gz DQYGIVTYERWNDW-CQSZACIVSA-N 0 0 390.281 3.419 20 30 GGEDRN C=CCN(CC=C)C(=O)C(=O)NC[C@@H](CC)Cc1cccc(Br)c1 ZINC000505786814 567597443 /nfs/dbraw/zinc/59/74/43/567597443.db2.gz GNBLFIGSZDUIIG-HNNXBMFYSA-N 0 0 393.325 3.335 20 30 GGEDRN C=CCN(Cc1cc(C(=O)OC)c(C)o1)S(=O)(=O)c1cccc(Cl)c1 ZINC000596008379 567597673 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ZINC000596836060 567657253 /nfs/dbraw/zinc/65/72/53/567657253.db2.gz GWKVIFLTRUGEAT-LBPRGKRZSA-N 0 0 389.257 3.187 20 30 GGEDRN C=C[C@H](CO)NC(=O)Nc1cc(C(=O)OC(C)(C)C)ccc1Br ZINC000596834514 567657491 /nfs/dbraw/zinc/65/74/91/567657491.db2.gz FBBAAGASLOILTQ-LLVKDONJSA-N 0 0 385.258 3.073 20 30 GGEDRN CC(C)(CNS(=O)(=O)c1ccc(C#N)o1)c1cccc(Br)c1 ZINC000553480039 567657658 /nfs/dbraw/zinc/65/76/58/567657658.db2.gz XVJNNBIVAJRFRC-UHFFFAOYSA-N 0 0 383.267 3.170 20 30 GGEDRN C[C@H](c1cccnc1)N(C)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000572681168 567657940 /nfs/dbraw/zinc/65/79/40/567657940.db2.gz JCNPFUCEEZRKGU-SNVBAGLBSA-N 0 0 398.257 3.237 20 30 GGEDRN C=CCn1c(SC[C@H]2CCCN(C)C2=O)nc2sc(C)c(C)c2c1=O ZINC000553482728 567658252 /nfs/dbraw/zinc/65/82/52/567658252.db2.gz AVYDSIBDWFHALS-CYBMUJFWSA-N 0 0 377.535 3.221 20 30 GGEDRN Cn1ncc(C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)c1C#N ZINC000507090148 567658847 /nfs/dbraw/zinc/65/88/47/567658847.db2.gz UFYVDLXFQBQHCC-UHFFFAOYSA-N 0 0 393.672 3.169 20 30 GGEDRN Cc1cc(Br)cc2c1N(S(=O)(=O)c1ccc(C#N)o1)CCC2 ZINC000553502578 567659108 /nfs/dbraw/zinc/65/91/08/567659108.db2.gz CSSMTCRIEIPSMY-UHFFFAOYSA-N 0 0 381.251 3.364 20 30 GGEDRN C[C@@](C#N)(NC(=O)c1ccc(I)cn1)C1CCCCC1 ZINC000572696158 567659112 /nfs/dbraw/zinc/65/91/12/567659112.db2.gz QNGAQKVOVVRYSV-HNNXBMFYSA-N 0 0 383.233 3.279 20 30 GGEDRN CN(CC(=O)NCc1cccs1)Cc1ccc(C#N)cc1Br ZINC000481133437 567659424 /nfs/dbraw/zinc/65/94/24/567659424.db2.gz BSRHQQUPTKDLKH-UHFFFAOYSA-N 0 0 378.295 3.130 20 30 GGEDRN C=CCN(CC=C)C(=O)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000459817764 567659488 /nfs/dbraw/zinc/65/94/88/567659488.db2.gz MYFKNKMJNQXVAX-INIZCTEOSA-N 0 0 383.275 3.094 20 30 GGEDRN C=CCC1(NC(=O)Nc2cccc(C(=O)OC)c2Br)CCOCC1 ZINC000596872459 567659595 /nfs/dbraw/zinc/65/95/95/567659595.db2.gz IRIVKYJENUHSLQ-UHFFFAOYSA-N 0 0 397.269 3.483 20 30 GGEDRN N#Cc1c(Br)cccc1S(=O)(=O)NC1(Cc2ccccc2)CC1 ZINC000553514852 567660730 /nfs/dbraw/zinc/66/07/30/567660730.db2.gz CMMINNIZDNDDRI-UHFFFAOYSA-N 0 0 391.290 3.374 20 30 GGEDRN N#Cc1sccc1N1CCN(C(=O)Nc2cc(Br)ccn2)CC1 ZINC000596875576 567661303 /nfs/dbraw/zinc/66/13/03/567661303.db2.gz GXGVBOSAAZSMKI-UHFFFAOYSA-N 0 0 392.282 3.131 20 30 GGEDRN N#CC1(CC(=O)NCCNC(=O)c2ccc(Br)cc2)CCCCC1 ZINC000596880441 567661352 /nfs/dbraw/zinc/66/13/52/567661352.db2.gz JWCQKMHDSDYYAK-UHFFFAOYSA-N 0 0 392.297 3.159 20 30 GGEDRN C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000459853129 567661540 /nfs/dbraw/zinc/66/15/40/567661540.db2.gz DOZGLBPZILMQIG-YVEFUNNKSA-N 0 0 381.885 3.003 20 30 GGEDRN C[C@H](C#N)CN(C)C(=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 ZINC000596894195 567662169 /nfs/dbraw/zinc/66/21/69/567662169.db2.gz MJOXFROYWOWAEW-KCJUWKMLSA-N 0 0 398.248 3.322 20 30 GGEDRN N#Cc1cccc(-c2cc(-c3nc(Cn4cc(Br)cn4)no3)on2)c1 ZINC000572761221 567662547 /nfs/dbraw/zinc/66/25/47/567662547.db2.gz CTGJPMWOJUKZBM-UHFFFAOYSA-N 0 0 397.192 3.271 20 30 GGEDRN C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000645745820 567662441 /nfs/dbraw/zinc/66/24/41/567662441.db2.gz CUEPAPDDXGXDRN-KGLIPLIRSA-N 0 0 394.718 3.256 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](COC(F)F)C1 ZINC000459857523 567662890 /nfs/dbraw/zinc/66/28/90/567662890.db2.gz DTGNBXJUODTMCL-LLVKDONJSA-N 0 0 392.855 3.004 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](OCC)[C@@H](C)C1 ZINC000459862170 567662923 /nfs/dbraw/zinc/66/29/23/567662923.db2.gz LOURTIFCFCZUAS-DZGCQCFKSA-N 0 0 384.929 3.190 20 30 GGEDRN Cc1nsc(N2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1C#N ZINC000572767252 567664614 /nfs/dbraw/zinc/66/46/14/567664614.db2.gz HZZNVCCKQDDLGN-UHFFFAOYSA-N 0 0 377.857 3.207 20 30 GGEDRN N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000553559914 567665400 /nfs/dbraw/zinc/66/54/00/567665400.db2.gz SAIUDCXJTBSHMK-JTQLQIEISA-N 0 0 393.253 3.425 20 30 GGEDRN N#CC[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000596921475 567665983 /nfs/dbraw/zinc/66/59/83/567665983.db2.gz IBRQDERUPNKWKH-ZDUSSCGKSA-N 0 0 388.269 3.214 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000481264548 567666666 /nfs/dbraw/zinc/66/66/66/567666666.db2.gz BAJGGWZCMGMBTG-NSHDSACASA-N 0 0 380.267 3.064 20 30 GGEDRN COC(=O)c1sc2ccccc2c1S(=O)(=O)NCC(C)(C)CCC#N ZINC000553569761 567666905 /nfs/dbraw/zinc/66/69/05/567666905.db2.gz CXBQDUZFOAIMTA-UHFFFAOYSA-N 0 0 380.491 3.296 20 30 GGEDRN CC[C@@H](c1noc([C@H](C)n2cnc(C#N)n2)n1)c1ccc(Br)cc1 ZINC000572800794 567667063 /nfs/dbraw/zinc/66/70/63/567667063.db2.gz OXPDLGBBJWNXPT-GXFFZTMASA-N 0 0 387.241 3.446 20 30 GGEDRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC000553568191 567667407 /nfs/dbraw/zinc/66/74/07/567667407.db2.gz BYZWFBJHTZXADM-OAHLLOKOSA-N 0 0 396.354 3.408 20 30 GGEDRN Cc1nc(CN2CCN(c3cc(Br)c(C#N)cc3F)CC2)oc1C ZINC000572800279 567667539 /nfs/dbraw/zinc/66/75/39/567667539.db2.gz SOEHIYYTOHVDSL-UHFFFAOYSA-N 0 0 393.260 3.387 20 30 GGEDRN C=CC(C)(C)C(=O)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 ZINC000459990811 567668131 /nfs/dbraw/zinc/66/81/31/567668131.db2.gz ZITBJMRKBUTISH-UHFFFAOYSA-N 0 0 379.507 3.232 20 30 GGEDRN COc1cc(Br)cc(S(=O)(=O)NCC(C)(C)CCC#N)c1 ZINC000553572178 567668279 /nfs/dbraw/zinc/66/82/79/567668279.db2.gz XNXNQAOKWMXGAF-UHFFFAOYSA-N 0 0 375.288 3.066 20 30 GGEDRN CC[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)Oc1cccc(Cl)c1 ZINC000441548032 567668282 /nfs/dbraw/zinc/66/82/82/567668282.db2.gz YENMQNGMELKUFK-KRWDZBQOSA-N 0 0 378.881 3.489 20 30 GGEDRN Cc1c(Br)cncc1CN1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000596978465 567668617 /nfs/dbraw/zinc/66/86/17/567668617.db2.gz ZBYONVBOEMSXBC-SFHVURJKSA-N 0 0 385.309 3.363 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(I)cn1 ZINC000460008618 567669719 /nfs/dbraw/zinc/66/97/19/567669719.db2.gz JNEGTWUIGPADLH-UHFFFAOYSA-N 0 0 394.216 3.367 20 30 GGEDRN CC1CC(C#N)(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000531639622 567669681 /nfs/dbraw/zinc/66/96/81/567669681.db2.gz MKPNARKRGGFVOS-UHFFFAOYSA-N 0 0 390.325 3.470 20 30 GGEDRN C=CCC1(NC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)CCOCC1 ZINC000622940406 567669951 /nfs/dbraw/zinc/66/99/51/567669951.db2.gz YBZDJSZSZBULOE-OAHLLOKOSA-N 0 0 384.929 3.397 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000572877102 567672433 /nfs/dbraw/zinc/67/24/33/567672433.db2.gz LSJMTIJRRRORKT-SFHVURJKSA-N 0 0 376.865 3.115 20 30 GGEDRN C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000441748503 567673606 /nfs/dbraw/zinc/67/36/06/567673606.db2.gz FEZBGVGFBXVSGF-GFCCVEGCSA-N 0 0 398.260 3.405 20 30 GGEDRN C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000441716250 567673883 /nfs/dbraw/zinc/67/38/83/567673883.db2.gz ODWRYPDHKMSELT-GFCCVEGCSA-N 0 0 398.260 3.405 20 30 GGEDRN N#CC1(CS(=O)(=O)N2CCCC[C@@H]2Cc2ccccc2Br)CC1 ZINC000572903136 567673797 /nfs/dbraw/zinc/67/37/97/567673797.db2.gz BDYBGPPOFHHQRN-OAHLLOKOSA-N 0 0 397.338 3.480 20 30 GGEDRN C=CCN1CC[C@@H](N(C)Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1=O ZINC000531698052 567674087 /nfs/dbraw/zinc/67/40/87/567674087.db2.gz ILOPIPSJZCJVLD-CYBMUJFWSA-N 0 0 381.263 3.262 20 30 GGEDRN CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNc1cc(C#N)ccc1C(F)(F)F ZINC000553678858 567675170 /nfs/dbraw/zinc/67/51/70/567675170.db2.gz MMVHTBHDNNGTKD-OCCSQVGLSA-N 0 0 375.416 3.097 20 30 GGEDRN C=CCN(C(=O)Nc1ccc(I)cc1F)[C@@H](C)COC ZINC000597023102 567675296 /nfs/dbraw/zinc/67/52/96/567675296.db2.gz SIGVPPQPHVIMKS-JTQLQIEISA-N 0 0 392.212 3.485 20 30 GGEDRN CC#CCN(C)C(=O)c1ccc(Br)cc1I ZINC000572914534 567675539 /nfs/dbraw/zinc/67/55/39/567675539.db2.gz UQAWTZUIXNIZOP-UHFFFAOYSA-N 0 0 392.034 3.149 20 30 GGEDRN CO[C@H](c1ccccc1Cl)[C@@H](C)NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000572915461 567675579 /nfs/dbraw/zinc/67/55/79/567675579.db2.gz VWBSTVLQAGGSNP-ACJLOTCBSA-N 0 0 378.881 3.407 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCc1sc(C)nc1C ZINC000553697599 567676187 /nfs/dbraw/zinc/67/61/87/567676187.db2.gz QXRUFNHMWPHKGJ-UHFFFAOYSA-N 0 0 397.953 3.348 20 30 GGEDRN CS(=O)(=O)CCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N ZINC000460147047 567676623 /nfs/dbraw/zinc/67/66/23/567676623.db2.gz BVMVHNHUOHDIBZ-UHFFFAOYSA-N 0 0 376.865 3.180 20 30 GGEDRN CC(C)(C#N)CNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000507369999 567677308 /nfs/dbraw/zinc/67/73/08/567677308.db2.gz LGSUDBIZTHJMHF-UHFFFAOYSA-N 0 0 391.640 3.294 20 30 GGEDRN Cc1cc(Br)ccc1NC(=O)CCNC(=O)C1(C#N)CC(C)C1 ZINC000531755064 567677305 /nfs/dbraw/zinc/67/73/05/567677305.db2.gz AKJGKZCDAFHRDG-UHFFFAOYSA-N 0 0 378.270 3.142 20 30 GGEDRN Cc1c(F)c(Br)ccc1C(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000597050608 567678670 /nfs/dbraw/zinc/67/86/70/567678670.db2.gz XKZWUTKMMCBPDK-OAHLLOKOSA-N 0 0 382.277 3.203 20 30 GGEDRN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]2COC[C@@H]21 ZINC000666452337 567679505 /nfs/dbraw/zinc/67/95/05/567679505.db2.gz XRJRTOUEZBPFBJ-DOMZBBRYSA-N 0 0 392.301 3.227 20 30 GGEDRN CC(C)(C)CC[C@@H](CO)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000481484872 567680851 /nfs/dbraw/zinc/68/08/51/567680851.db2.gz XIWNVAVGYXJDRD-LBPRGKRZSA-N 0 0 378.416 3.043 20 30 GGEDRN Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)CC2(C#N)CCCCC2)s1 ZINC000597100734 567680924 /nfs/dbraw/zinc/68/09/24/567680924.db2.gz YJCCBZSIZSQWLB-ZDUSSCGKSA-N 0 0 378.523 3.156 20 30 GGEDRN N#CCc1ccccc1NC(=O)COc1cccc(I)c1 ZINC000573012260 567680950 /nfs/dbraw/zinc/68/09/50/567680950.db2.gz GSDXLIKUVKLTHF-UHFFFAOYSA-N 0 0 392.196 3.375 20 30 GGEDRN N#Cc1ccc(Cl)c(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000507459881 567681225 /nfs/dbraw/zinc/68/12/25/567681225.db2.gz KZWRXXXNOGEFDQ-UHFFFAOYSA-N 0 0 383.256 3.069 20 30 GGEDRN CC(C)(C)CC[C@@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000481492115 567681981 /nfs/dbraw/zinc/68/19/81/567681981.db2.gz MVPPKIHDSLQILG-ZDUSSCGKSA-N 0 0 378.416 3.043 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000481496482 567682653 /nfs/dbraw/zinc/68/26/53/567682653.db2.gz WXDNTCNTVQPFMR-CQSZACIVSA-N 0 0 385.272 3.185 20 30 GGEDRN CCCCN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(C#N)cs2)c1 ZINC000573028891 567682669 /nfs/dbraw/zinc/68/26/69/567682669.db2.gz NCOVEPDKOPSQAX-UHFFFAOYSA-N 0 0 377.491 3.293 20 30 GGEDRN Cn1cccc1[C@H]1CCCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000553772715 567682826 /nfs/dbraw/zinc/68/28/26/567682826.db2.gz JSEZJJNPKCEIIS-OAHLLOKOSA-N 0 0 394.294 3.185 20 30 GGEDRN Cc1cccc(S(=O)(=O)N[C@H](CO)c2c(Cl)cccc2Cl)c1C#N ZINC000481501451 567683423 /nfs/dbraw/zinc/68/34/23/567683423.db2.gz JHDPHYJCJRMVDZ-CQSZACIVSA-N 0 0 385.272 3.185 20 30 GGEDRN Cc1cccc(S(=O)(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)c1C#N ZINC000481501450 567683750 /nfs/dbraw/zinc/68/37/50/567683750.db2.gz JHDPHYJCJRMVDZ-AWEZNQCLSA-N 0 0 385.272 3.185 20 30 GGEDRN C=CCn1c(-c2cccc(Cl)c2)nnc1S(=O)(=O)CCOCCCC ZINC000507535965 567684312 /nfs/dbraw/zinc/68/43/12/567684312.db2.gz RTHMRHDYRXTRRH-UHFFFAOYSA-N 0 0 383.901 3.375 20 30 GGEDRN C=CCn1c(-c2cccc(Cl)c2)nnc1S(=O)(=O)Cc1ncc(C)o1 ZINC000507537449 567685106 /nfs/dbraw/zinc/68/51/06/567685106.db2.gz UCNPYJRWEAXJBP-UHFFFAOYSA-N 0 0 378.841 3.055 20 30 GGEDRN N#C[C@H](NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21)c1c(Cl)cccc1Cl ZINC000597166585 567685564 /nfs/dbraw/zinc/68/55/64/567685564.db2.gz RHBNQSBEROHTOK-DRABBMOASA-N 0 0 380.275 3.369 20 30 GGEDRN C[C@H](Cc1ccsc1)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000553799174 567685913 /nfs/dbraw/zinc/68/59/13/567685913.db2.gz JEJSKJNDOBPXJR-SNVBAGLBSA-N 0 0 385.308 3.292 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1CCOc2c(Br)cccc21 ZINC000442230827 567685931 /nfs/dbraw/zinc/68/59/31/567685931.db2.gz GFNLAOXXQOQRPB-UHFFFAOYSA-N 0 0 393.262 3.217 20 30 GGEDRN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)CO2 ZINC000531911065 567686256 /nfs/dbraw/zinc/68/62/56/567686256.db2.gz PQVQZUNXGMXDPE-HNNXBMFYSA-N 0 0 393.262 3.041 20 30 GGEDRN N#C[C@H](NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12)c1cccc(Cl)c1Cl ZINC000597182415 567686948 /nfs/dbraw/zinc/68/69/48/567686948.db2.gz NCKKNFUVRONPNY-FDEJFUCISA-N 0 0 380.275 3.369 20 30 GGEDRN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CCC[C@@H](CC#N)C1 ZINC000597176235 567687055 /nfs/dbraw/zinc/68/70/55/567687055.db2.gz GTUXQAWJHCFCEJ-KBPBESRZSA-N 0 0 394.313 3.088 20 30 GGEDRN N#Cc1sccc1N1CCN(Cc2cccc(O)c2Br)CC1 ZINC000597183606 567687143 /nfs/dbraw/zinc/68/71/43/567687143.db2.gz NDTFELJITHWTDR-UHFFFAOYSA-N 0 0 378.295 3.410 20 30 GGEDRN N#C[C@H](NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12)c1cccc(Cl)c1Cl ZINC000597182414 567687162 /nfs/dbraw/zinc/68/71/62/567687162.db2.gz NCKKNFUVRONPNY-DWZYQQQCSA-N 0 0 380.275 3.369 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)NCc1ccc(-c2csc(C)n2)s1 ZINC000597174974 567687167 /nfs/dbraw/zinc/68/71/67/567687167.db2.gz KVMUKEQJVRRWOY-UHFFFAOYSA-N 0 0 395.575 3.222 20 30 GGEDRN C=CCN(C(=O)c1cccc(F)c1I)[C@@H](C)COC ZINC000597951500 567728702 /nfs/dbraw/zinc/72/87/02/567728702.db2.gz JLYLVEHDLDFHKK-JTQLQIEISA-N 0 0 377.197 3.093 20 30 GGEDRN N#CCc1ccnc(NC(=O)c2ccc(F)cc2I)c1 ZINC000531924764 567687726 /nfs/dbraw/zinc/68/77/26/567687726.db2.gz XQDZGAXNWUBAGZ-UHFFFAOYSA-N 0 0 381.148 3.144 20 30 GGEDRN C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC(CO)CC1 ZINC000460388999 567687973 /nfs/dbraw/zinc/68/79/73/567687973.db2.gz SRXGLYGHWCPLIO-UHFFFAOYSA-N 0 0 391.313 3.492 20 30 GGEDRN Cc1ccc(C(=O)Nc2cc(CC#N)ccn2)cc1I ZINC000531925580 567688296 /nfs/dbraw/zinc/68/82/96/567688296.db2.gz XOUPJJZRIJXDNE-UHFFFAOYSA-N 0 0 377.185 3.313 20 30 GGEDRN C=C(C)Cn1c(-c2sccc2C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000460387884 567688226 /nfs/dbraw/zinc/68/82/26/567688226.db2.gz OTVMHVKFAVKYLW-ZIAGYGMSSA-N 0 0 382.555 3.149 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000531932282 567689760 /nfs/dbraw/zinc/68/97/60/567689760.db2.gz CAIVDLYWTINOQZ-SNVBAGLBSA-N 0 0 398.271 3.171 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000597222641 567689796 /nfs/dbraw/zinc/68/97/96/567689796.db2.gz XCFHDKXHNKSPIK-LBPRGKRZSA-N 0 0 385.327 3.052 20 30 GGEDRN CSCCCCCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000553852298 567691679 /nfs/dbraw/zinc/69/16/79/567691679.db2.gz DBEQLNQPRFCAKJ-UHFFFAOYSA-N 0 0 377.329 3.132 20 30 GGEDRN COc1ccc(-c2nnc(N3CCC[C@H](CC#N)C3)n2C)cc1Br ZINC000597273582 567693113 /nfs/dbraw/zinc/69/31/13/567693113.db2.gz JLUSZEOFNHIONE-GFCCVEGCSA-N 0 0 390.285 3.383 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000597258247 567693371 /nfs/dbraw/zinc/69/33/71/567693371.db2.gz MIJYPWYUDJYISS-ABKXIKBNSA-N 0 0 377.242 3.233 20 30 GGEDRN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC=C(COC)CC1 ZINC000460573736 567693500 /nfs/dbraw/zinc/69/35/00/567693500.db2.gz KVOGIAWTTSJFTD-UHFFFAOYSA-N 0 0 392.301 3.395 20 30 GGEDRN CC(C)(CNS(=O)(=O)c1ccc(C#N)o1)c1ccccc1Br ZINC000553868882 567693535 /nfs/dbraw/zinc/69/35/35/567693535.db2.gz FBBDWMJBQOYFKN-UHFFFAOYSA-N 0 0 383.267 3.170 20 30 GGEDRN C=C(C)Cn1c(Nc2ccn(C)n2)nnc1-c1cc(F)ccc1Br ZINC000460561013 567693549 /nfs/dbraw/zinc/69/35/49/567693549.db2.gz DRNWXVZBQVRFPT-UHFFFAOYSA-N 0 0 391.248 3.322 20 30 GGEDRN COC(=O)[C@H]1CN(Cc2ccc(Br)cc2C#N)c2ccccc2O1 ZINC000553869848 567693646 /nfs/dbraw/zinc/69/36/46/567693646.db2.gz JJJOXIYDHGRAMB-QGZVFWFLSA-N 0 0 387.233 3.261 20 30 GGEDRN Cc1csc(N2CCN(Cc3ccc(Br)cc3C#N)CC2)n1 ZINC000553863827 567693808 /nfs/dbraw/zinc/69/38/08/567693808.db2.gz AATVJTBDUVKPEJ-UHFFFAOYSA-N 0 0 377.311 3.408 20 30 GGEDRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000460592688 567694224 /nfs/dbraw/zinc/69/42/24/567694224.db2.gz UVDVGDNLOHFOLL-CQSZACIVSA-N 0 0 376.298 3.348 20 30 GGEDRN CCO[C@H](C)c1noc(CN(C)Cc2ccc(Br)cc2C#N)n1 ZINC000553884788 567696279 /nfs/dbraw/zinc/69/62/79/567696279.db2.gz RUMGUROURHTMRN-LLVKDONJSA-N 0 0 379.258 3.433 20 30 GGEDRN C=CCCCCCNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000573218364 567696463 /nfs/dbraw/zinc/69/64/63/567696463.db2.gz DLCGEJZVURAHDS-UHFFFAOYSA-N 0 0 396.329 3.312 20 30 GGEDRN N#CC1(CC(=O)NC[C@@H](O)COc2ccccc2Br)CCCCC1 ZINC000597392720 567696655 /nfs/dbraw/zinc/69/66/55/567696655.db2.gz CBCLLMJZODYMDE-CQSZACIVSA-N 0 0 395.297 3.169 20 30 GGEDRN CN(Cc1ccc(Br)s1)C(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597401469 567696803 /nfs/dbraw/zinc/69/68/03/567696803.db2.gz SXMMINJIHXOMAG-UHFFFAOYSA-N 0 0 398.326 3.059 20 30 GGEDRN O=C(NCC(F)(F)C(F)F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000481709003 567697203 /nfs/dbraw/zinc/69/72/03/567697203.db2.gz ZGUAQPLUHHIULI-UHFFFAOYSA-N 0 0 378.200 3.166 20 30 GGEDRN Cc1cc([C@@H]2CCCN2CC(=O)NC2(C#N)CCC2)ccc1Br ZINC000553897665 567697499 /nfs/dbraw/zinc/69/74/99/567697499.db2.gz QAVPXPIHPQQXRR-INIZCTEOSA-N 0 0 376.298 3.457 20 30 GGEDRN N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CCC(F)(F)C1 ZINC000553894864 567697780 /nfs/dbraw/zinc/69/77/80/567697780.db2.gz GXUFQCPIIDCDGQ-VIFPVBQESA-N 0 0 379.226 3.034 20 30 GGEDRN CC#CC[C@@H](CO)NC(=O)Nc1ccc(Br)cc1Br ZINC000646169912 567698182 /nfs/dbraw/zinc/69/81/82/567698182.db2.gz RWULGSREAIUBIV-JTQLQIEISA-N 0 0 390.075 3.107 20 30 GGEDRN C=CCn1cc(CNC(=O)NC(C)(C)c2ccc(Br)c(C)c2)nn1 ZINC000573240780 567698180 /nfs/dbraw/zinc/69/81/80/567698180.db2.gz ZVZDSELNELXKGQ-UHFFFAOYSA-N 0 0 392.301 3.270 20 30 GGEDRN CC(=O)N1CCC(CCC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000573243537 567698446 /nfs/dbraw/zinc/69/84/46/567698446.db2.gz QVMPQKBMFCQAQH-UHFFFAOYSA-N 0 0 378.270 3.298 20 30 GGEDRN C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC1CC1 ZINC000597420165 567699095 /nfs/dbraw/zinc/69/90/95/567699095.db2.gz LIONMTHFFGMTSU-NSHDSACASA-N 0 0 377.290 3.052 20 30 GGEDRN N#C[C@@H]1CSCCN1C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000597479223 567699838 /nfs/dbraw/zinc/69/98/38/567699838.db2.gz UATSRLPFPNXTDG-GFCCVEGCSA-N 0 0 378.251 3.185 20 30 GGEDRN C=C(C)COCCNC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000532138070 567700033 /nfs/dbraw/zinc/70/00/33/567700033.db2.gz ZLNSFEKPIIKNPW-UHFFFAOYSA-N 0 0 380.798 3.058 20 30 GGEDRN Cc1cc(=NC(=O)C(C)(C)Oc2ccc(Br)cc2)[nH]n1CCC#N ZINC000597459828 567700592 /nfs/dbraw/zinc/70/05/92/567700592.db2.gz GQEVEVZWTNFUBA-UHFFFAOYSA-N 0 0 391.269 3.086 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(C)s2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000460798235 567702240 /nfs/dbraw/zinc/70/22/40/567702240.db2.gz WRVJFTSWTQQUEW-KBPBESRZSA-N 0 0 382.555 3.149 20 30 GGEDRN C=CCN(CCOC)C(=O)C(=O)N[C@H](CC)Cc1ccc(Cl)cc1Cl ZINC000553972536 567702589 /nfs/dbraw/zinc/70/25/89/567702589.db2.gz SGZNFGGRGKOJMB-OAHLLOKOSA-N 0 0 387.307 3.092 20 30 GGEDRN CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC(C#N)CC1 ZINC000553971454 567702649 /nfs/dbraw/zinc/70/26/49/567702649.db2.gz CBSRDACPPBPKNN-OAHLLOKOSA-N 0 0 382.291 3.193 20 30 GGEDRN N#CC1CCC(CNC(=O)N(CCO)Cc2cccc(Br)c2)CC1 ZINC000442725598 567703136 /nfs/dbraw/zinc/70/31/36/567703136.db2.gz ZMZHNIFVSPVBAP-UHFFFAOYSA-N 0 0 394.313 3.283 20 30 GGEDRN N#CCc1ccnc(NC(=O)c2ccn(-c3cccc(Br)c3)n2)c1 ZINC000532179824 567703529 /nfs/dbraw/zinc/70/35/29/567703529.db2.gz JNQBYDSGEYGGRV-UHFFFAOYSA-N 0 0 382.221 3.348 20 30 GGEDRN CC#CC[C@H](CO)NC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000646289953 567704022 /nfs/dbraw/zinc/70/40/22/567704022.db2.gz GEDKAJBVGQFVSK-LLVKDONJSA-N 0 0 379.176 3.364 20 30 GGEDRN CC1(C)CCCN(C(=O)c2cc(Br)cc3c2OCCO3)[C@H]1C#N ZINC000597568684 567705128 /nfs/dbraw/zinc/70/51/28/567705128.db2.gz PIUROGUFLJZXEP-AWEZNQCLSA-N 0 0 379.254 3.375 20 30 GGEDRN C=CCNC(=O)[C@H](C)N1CCN([C@@H](CC)c2ccc(Br)cc2)CC1 ZINC000507787755 567705345 /nfs/dbraw/zinc/70/53/45/567705345.db2.gz IEDDAUXBPDUBET-YJBOKZPZSA-N 0 0 394.357 3.209 20 30 GGEDRN CNc1ccc(C#N)cc1NC(=O)Cc1ccccc1I ZINC000573347950 567706957 /nfs/dbraw/zinc/70/69/57/567706957.db2.gz RJKJIUOPJYNMFF-UHFFFAOYSA-N 0 0 391.212 3.386 20 30 GGEDRN CC#CC[C@H](CO)NC(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000646326617 567707281 /nfs/dbraw/zinc/70/72/81/567707281.db2.gz OYOIOKBBSTUQAJ-SECBINFHSA-N 0 0 395.175 3.244 20 30 GGEDRN N#Cc1ccc(NC(=O)NCc2cc(Br)cnc2N)cc1Cl ZINC000554053806 567707491 /nfs/dbraw/zinc/70/74/91/567707491.db2.gz KNWOASBARFKOQF-UHFFFAOYSA-N 0 0 380.633 3.103 20 30 GGEDRN COc1cc(CN(C)CC(=O)Nc2ccccc2Br)ccc1C#N ZINC000442802668 567709515 /nfs/dbraw/zinc/70/95/15/567709515.db2.gz SXKXVDQSFYECFR-UHFFFAOYSA-N 0 0 388.265 3.400 20 30 GGEDRN COc1ccccc1C[C@@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000442840282 567711290 /nfs/dbraw/zinc/71/12/90/567711290.db2.gz DDMWXHICYOAZED-CYBMUJFWSA-N 0 0 378.881 3.472 20 30 GGEDRN N#C[C@]1(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)CC12CCCC2 ZINC000597680760 567711842 /nfs/dbraw/zinc/71/18/42/567711842.db2.gz QSMCQERUHKWJBC-KSSFIOAISA-N 0 0 390.281 3.298 20 30 GGEDRN CC#CC[C@@H](CO)NC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000646367721 567712052 /nfs/dbraw/zinc/71/20/52/567712052.db2.gz DKVRRDBDWYVTDV-LBPRGKRZSA-N 0 0 381.263 3.134 20 30 GGEDRN C=C(C)Cn1c(Nc2ccn(C)n2)nnc1-c1ccc(Br)s1 ZINC000460955487 567712152 /nfs/dbraw/zinc/71/21/52/567712152.db2.gz XRCWTNBOITYPTK-UHFFFAOYSA-N 0 0 379.287 3.244 20 30 GGEDRN Cc1c(Br)c(N2CC(Oc3ccc(C#N)cc3)C2)ncc1[N+](=O)[O-] ZINC000460943662 567712193 /nfs/dbraw/zinc/71/21/93/567712193.db2.gz NNZFGHORPUARCG-UHFFFAOYSA-N 0 0 389.209 3.200 20 30 GGEDRN CC#CC[C@@H](CO)NC(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000646372552 567712230 /nfs/dbraw/zinc/71/22/30/567712230.db2.gz ZVRJLIVDDJDVEU-JTQLQIEISA-N 0 0 379.176 3.364 20 30 GGEDRN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000573421263 567712418 /nfs/dbraw/zinc/71/24/18/567712418.db2.gz AZLXQQVDEOEQJD-ZBEGNZNMSA-N 0 0 378.270 3.313 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)NC1(C2CC2)CC1 ZINC000532377423 567712612 /nfs/dbraw/zinc/71/26/12/567712612.db2.gz GDQFFSGLCMYAOQ-UHFFFAOYSA-N 0 0 379.254 3.157 20 30 GGEDRN COc1cccc([C@H]2C[C@H](NS(=O)(=O)c3ccc(C#N)c(Cl)c3)C2)c1 ZINC000573436446 567714026 /nfs/dbraw/zinc/71/40/26/567714026.db2.gz GNEMCPZLSOICJY-SHTZXODSSA-N 0 0 376.865 3.445 20 30 GGEDRN C=CCC[C@@H](NC(=O)c1nn(C(C)(C)C)cc1Br)C(=O)OCC ZINC000597732984 567715320 /nfs/dbraw/zinc/71/53/20/567715320.db2.gz OBTOKBLOMLGZAW-GFCCVEGCSA-N 0 0 386.290 3.028 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666969839 567715741 /nfs/dbraw/zinc/71/57/41/567715741.db2.gz CNPDZLYFLOSKHH-OAHLLOKOSA-N 0 0 383.945 3.352 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)Nc1cc(C[S@](C)=O)ccc1Cl ZINC000573464889 567715717 /nfs/dbraw/zinc/71/57/17/567715717.db2.gz ZTIWLTYPCBSKQK-QHCPKHFHSA-N 0 0 382.894 3.199 20 30 GGEDRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cc(CC#N)ccn1 ZINC000532435696 567715888 /nfs/dbraw/zinc/71/58/88/567715888.db2.gz XPQQSXRVVFFJSG-JTQLQIEISA-N 0 0 377.231 3.211 20 30 GGEDRN CC#CC[C@H](CO)NC(=O)Nc1cc(Br)ccc1OC(F)(F)F ZINC000646427502 567717165 /nfs/dbraw/zinc/71/71/65/567717165.db2.gz DLBDKJOVWIGNOK-SNVBAGLBSA-N 0 0 395.175 3.244 20 30 GGEDRN Cc1cc(OCC(=O)Nc2ccc(C#N)cc2)ccc1I ZINC000461059051 567718780 /nfs/dbraw/zinc/71/87/80/567718780.db2.gz BHNLJTPOAVNKJI-UHFFFAOYSA-N 0 0 392.196 3.489 20 30 GGEDRN C[C@@H]1c2cccc(Br)c2CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000507950709 567718941 /nfs/dbraw/zinc/71/89/41/567718941.db2.gz MWYVDWHRQHSJEI-LLVKDONJSA-N 0 0 392.278 3.024 20 30 GGEDRN COc1cccc(C[C@H](O)C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1 ZINC000442955437 567719984 /nfs/dbraw/zinc/71/99/84/567719984.db2.gz XIZLPFGDTXWBOJ-HOTGVXAUSA-N 0 0 379.243 3.286 20 30 GGEDRN CC1(c2cccc(Br)c2)CCN(S(=O)(=O)CCCC#N)CC1 ZINC000507964318 567720054 /nfs/dbraw/zinc/72/00/54/567720054.db2.gz JLBYPLRMSWPEMT-UHFFFAOYSA-N 0 0 385.327 3.436 20 30 GGEDRN CCC[C@@H](NC(=O)NCCn1cnc(C#N)n1)c1ccc(Cl)c(Cl)c1 ZINC000554290005 567720378 /nfs/dbraw/zinc/72/03/78/567720378.db2.gz MVJBIQVKCIWIFI-CQSZACIVSA-N 0 0 381.267 3.297 20 30 GGEDRN N#C[C@H]1N(S(=O)(=O)Cc2cc(Cl)ccc2F)CCC[C@@]12CCCCO2 ZINC000573533052 567720718 /nfs/dbraw/zinc/72/07/18/567720718.db2.gz SNPKSJRUYVOQJJ-SJORKVTESA-N 0 0 386.876 3.236 20 30 GGEDRN N#Cc1ccc(NS(=O)(=O)CCc2ccccc2Br)cc1F ZINC000461114882 567720998 /nfs/dbraw/zinc/72/09/98/567720998.db2.gz TYAHSTMPHWSMOW-UHFFFAOYSA-N 0 0 383.242 3.444 20 30 GGEDRN N#C[C@@H](NC(=O)C(=O)NCc1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000461113912 567721274 /nfs/dbraw/zinc/72/12/74/567721274.db2.gz ONSDMEQNHNMZHA-CQSZACIVSA-N 0 0 380.206 3.130 20 30 GGEDRN COc1cccc(C[C@H](O)C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 ZINC000442978596 567722008 /nfs/dbraw/zinc/72/20/08/567722008.db2.gz YEFVJCGKLPTRGK-SJORKVTESA-N 0 0 379.243 3.286 20 30 GGEDRN C=CCN(C(=O)Nc1ccc2nc(CC)sc2c1)[C@@H]1CCS(=O)(=O)C1 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CCN(CC)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccco1 ZINC000443038381 567725662 /nfs/dbraw/zinc/72/56/62/567725662.db2.gz QBMYDGGRNRHPIY-OAHLLOKOSA-N 0 0 381.885 3.166 20 30 GGEDRN Cc1ccc(NC(=O)CNS(=O)(=O)c2cccc(Cl)c2C#N)c(Cl)c1 ZINC000443040593 567725973 /nfs/dbraw/zinc/72/59/73/567725973.db2.gz WAFIQGJAGGLLMU-UHFFFAOYSA-N 0 0 398.271 3.091 20 30 GGEDRN N#Cc1ccc(NC(=O)NCCCOCC(F)(F)F)cc1Br ZINC000554395320 567726082 /nfs/dbraw/zinc/72/60/82/567726082.db2.gz MPGGSCKYSMQQMO-UHFFFAOYSA-N 0 0 380.164 3.411 20 30 GGEDRN CSC[C@](C)(C#N)NS(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000508074302 567726189 /nfs/dbraw/zinc/72/61/89/567726189.db2.gz OSXBZPRIMKOBTQ-INIZCTEOSA-N 0 0 388.942 3.442 20 30 GGEDRN Cc1ccc([C@@H](CNS(=O)(=O)c2cccc(Cl)c2C#N)N(C)C)cc1 ZINC000443033275 567726215 /nfs/dbraw/zinc/72/62/15/567726215.db2.gz FENRZWYIUVQPLH-QGZVFWFLSA-N 0 0 377.897 3.101 20 30 GGEDRN Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2C#N)c(Cl)c1 ZINC000443040595 567726366 /nfs/dbraw/zinc/72/63/66/567726366.db2.gz 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Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Cc1ccc(Br)cc1 ZINC000461321256 567728396 /nfs/dbraw/zinc/72/83/96/567728396.db2.gz UVKDAMLSONIVNZ-UHFFFAOYSA-N 0 0 396.248 3.391 20 30 GGEDRN C=CCN(C(=O)c1ccc(F)c(I)c1)[C@H](C)COC ZINC000597951452 567728614 /nfs/dbraw/zinc/72/86/14/567728614.db2.gz JCGJQMIHFXLDNW-SNVBAGLBSA-N 0 0 377.197 3.093 20 30 GGEDRN Cn1c(C#N)ccc1C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000573670205 567728698 /nfs/dbraw/zinc/72/86/98/567728698.db2.gz KBVBFVDYDAAYNW-UHFFFAOYSA-N 0 0 388.265 3.095 20 30 GGEDRN N#Cc1ccc(NC(=O)NCCCCn2cc(Br)cn2)cc1F ZINC000573672565 567728777 /nfs/dbraw/zinc/72/87/77/567728777.db2.gz LBOGMTQGRGWGQQ-UHFFFAOYSA-N 0 0 380.221 3.258 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1cccc(OCC(F)F)c1 ZINC000443072557 567729115 /nfs/dbraw/zinc/72/91/15/567729115.db2.gz UYXRIOLJLBQLFQ-UHFFFAOYSA-N 0 0 386.807 3.334 20 30 GGEDRN N#Cc1cc(Br)ccc1C(=O)NCc1cccnc1N1CCCC1 ZINC000597942850 567729082 /nfs/dbraw/zinc/72/90/82/567729082.db2.gz DVKHVFCAIMJSRJ-UHFFFAOYSA-N 0 0 385.265 3.246 20 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C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N(C)C[C@H](C)C(=O)NC ZINC000508870618 567770308 /nfs/dbraw/zinc/77/03/08/567770308.db2.gz AOQCSYNVWNYOKN-NSHDSACASA-N 0 0 382.295 3.256 20 30 GGEDRN N#Cc1ccc(N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1[N+](=O)[O-] ZINC000555129506 567770352 /nfs/dbraw/zinc/77/03/52/567770352.db2.gz WRTRBKDVFZSTNT-UHFFFAOYSA-N 0 0 378.219 3.495 20 30 GGEDRN C=CCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H]1CCOC1 ZINC000508858794 567770441 /nfs/dbraw/zinc/77/04/41/567770441.db2.gz SRMNZGHJFQBKCD-LLVKDONJSA-N 0 0 383.315 3.428 20 30 GGEDRN COC(=O)[C@H](NCc1ccc(C#N)cc1F)c1ccc(Br)cc1 ZINC000533505884 567771582 /nfs/dbraw/zinc/77/15/82/567771582.db2.gz MUFYSNWJVSXHMZ-MRXNPFEDSA-N 0 0 377.213 3.464 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC000508881777 567771548 /nfs/dbraw/zinc/77/15/48/567771548.db2.gz OFTRYVNGLOVURJ-NEPJUHHUSA-N 0 0 383.261 3.018 20 30 GGEDRN Cc1cccc(S(=O)(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)c1C#N ZINC000443726711 567772396 /nfs/dbraw/zinc/77/23/96/567772396.db2.gz 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567783423 /nfs/dbraw/zinc/78/34/23/567783423.db2.gz ZWMJCZGEVUQQEK-QGZVFWFLSA-N 0 0 384.885 3.098 20 30 GGEDRN CC(C)(C#N)C[C@@H](O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000598703132 567783453 /nfs/dbraw/zinc/78/34/53/567783453.db2.gz COCWQVZZEJDRJN-PIGZYNQJSA-N 0 0 384.263 3.061 20 30 GGEDRN C=CC[C@H]1N(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CCCC1(C)C ZINC000443976266 567783512 /nfs/dbraw/zinc/78/35/12/567783512.db2.gz CUNCRMQFMYZIIF-QGZVFWFLSA-N 0 0 385.551 3.154 20 30 GGEDRN C=CC[C@H]1N(S(=O)(=O)c2cccc(S(=O)(=O)CC)c2)CCCC1(C)C ZINC000443967027 567783625 /nfs/dbraw/zinc/78/36/25/567783625.db2.gz YVPYOCXJXQUVIF-QGZVFWFLSA-N 0 0 385.551 3.236 20 30 GGEDRN C=CC[C@@H]1N(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CCCC1(C)C ZINC000443976261 567783670 /nfs/dbraw/zinc/78/36/70/567783670.db2.gz CUNCRMQFMYZIIF-KRWDZBQOSA-N 0 0 385.551 3.154 20 30 GGEDRN C=CCN(C(=O)c1cc(C(F)(F)F)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000624489352 567784277 /nfs/dbraw/zinc/78/42/77/567784277.db2.gz FYLNUCKJNXUWSJ-NSHDSACASA-N 0 0 381.803 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C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cn(C)c(C)cc1=O ZINC000555548699 567788343 /nfs/dbraw/zinc/78/83/43/567788343.db2.gz ISQQQSYWLIGQJQ-UHFFFAOYSA-N 0 0 393.256 3.424 20 30 GGEDRN Cc1cc(S(=O)(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)ccc1C#N ZINC000574631583 567789433 /nfs/dbraw/zinc/78/94/33/567789433.db2.gz MTRBIXFIFFEZFP-SFHVURJKSA-N 0 0 377.897 3.101 20 30 GGEDRN CCOC(=O)c1c(NC(=O)c2ccsc2Cl)c(C#N)cn1CCOC ZINC000598806506 567791181 /nfs/dbraw/zinc/79/11/81/567791181.db2.gz CNZXDVQPETUXEQ-UHFFFAOYSA-N 0 0 381.841 3.150 20 30 GGEDRN C=CCc1cc(CNc2ncc(Br)c(OC)n2)cc(OC)c1OC ZINC000444084466 567791311 /nfs/dbraw/zinc/79/13/11/567791311.db2.gz NEPJBBYRPZLVCL-UHFFFAOYSA-N 0 0 394.269 3.027 20 30 GGEDRN CC1(c2ccccc2)CN(C(=O)COc2cccc(Br)c2C#N)C1 ZINC000598780663 567791640 /nfs/dbraw/zinc/79/16/40/567791640.db2.gz KJZHERCGFUFSAG-UHFFFAOYSA-N 0 0 385.261 3.500 20 30 GGEDRN CN(C(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F)c1cc(Cl)ccc1C#N ZINC000598818028 567792289 /nfs/dbraw/zinc/79/22/89/567792289.db2.gz 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N#CCN(C(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000598841780 567794418 /nfs/dbraw/zinc/79/44/18/567794418.db2.gz HNLGYTUKXRHGLW-KGLIPLIRSA-N 0 0 376.762 3.181 20 30 GGEDRN N#CCN(C(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000598841781 567794426 /nfs/dbraw/zinc/79/44/26/567794426.db2.gz HNLGYTUKXRHGLW-UONOGXRCSA-N 0 0 376.762 3.181 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)NCc1ccc(C)c(S(C)(=O)=O)c1 ZINC000444157492 567794764 /nfs/dbraw/zinc/79/47/64/567794764.db2.gz GWAPDLZIQINLQG-UHFFFAOYSA-N 0 0 378.519 3.358 20 30 GGEDRN N#Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)cc1Br ZINC000598848737 567795282 /nfs/dbraw/zinc/79/52/82/567795282.db2.gz YWCUPEGVPWVGCU-ZBFHGGJFSA-N 0 0 390.281 3.440 20 30 GGEDRN C=CCC1(NC(=O)c2c(F)cccc2I)CCOCC1 ZINC000598865968 567795438 /nfs/dbraw/zinc/79/54/38/567795438.db2.gz GQVHADAAGRXTFW-UHFFFAOYSA-N 0 0 389.208 3.285 20 30 GGEDRN N#Cc1ccc2c(c1)N(S(=O)(=O)c1cc(F)ccc1Br)CC2 ZINC000555708756 567795638 /nfs/dbraw/zinc/79/56/38/567795638.db2.gz 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MLJLWINVRRYMNV-CYBMUJFWSA-N 0 0 378.778 3.081 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CC[C@H](C)C1 ZINC000444321183 567802291 /nfs/dbraw/zinc/80/22/91/567802291.db2.gz SDDFPNCODMODHM-WCQYABFASA-N 0 0 381.270 3.403 20 30 GGEDRN C=CCn1c(-c2cn[nH]c2)nnc1N1CCc2sc(Br)cc2C1 ZINC000624851345 567802801 /nfs/dbraw/zinc/80/28/01/567802801.db2.gz WOIVNUPDLXTXCV-UHFFFAOYSA-N 0 0 391.298 3.241 20 30 GGEDRN C=CCn1c(-c2ccc(Br)s2)nnc1N(C)CC1(C)COC1 ZINC000624835964 567802884 /nfs/dbraw/zinc/80/28/84/567802884.db2.gz KAJJLCFSUMVJBB-UHFFFAOYSA-N 0 0 383.315 3.428 20 30 GGEDRN C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC12CCC2 ZINC000574935400 567805040 /nfs/dbraw/zinc/80/50/40/567805040.db2.gz PMFSWOYDNWJNIK-LBPRGKRZSA-N 0 0 390.281 3.298 20 30 GGEDRN CC(C)[C@H]1N(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC12CCC2 ZINC000574931495 567805078 /nfs/dbraw/zinc/80/50/78/567805078.db2.gz UYUQMWCHOGEFRF-OAHLLOKOSA-N 0 0 390.281 3.296 20 30 GGEDRN C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC12CCC2 ZINC000574935399 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Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1C(=O)[O-] ZINC000738438299 600015761 /nfs/dbraw/zinc/01/57/61/600015761.db2.gz QQKNTDJZEDRHMJ-UHFFFAOYSA-N 0 0 380.448 3.161 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1(C(=O)[O-])CCCCC1 ZINC000736203932 600150072 /nfs/dbraw/zinc/15/00/72/600150072.db2.gz WOFGNXGWEMKARH-CQSZACIVSA-N 0 0 375.494 3.254 20 30 GGEDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCCSC1=Nc1ccccc1 ZINC000826244714 607428631 /nfs/dbraw/zinc/42/86/31/607428631.db2.gz BGEYSXSIULECRL-UHFFFAOYSA-N 0 0 378.461 3.442 20 30 GGEDRN C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737411780 600212426 /nfs/dbraw/zinc/21/24/26/600212426.db2.gz ALMMOUFZJSNFHZ-GOSISDBHSA-N 0 0 383.473 3.195 20 30 GGEDRN Cc1cc[n+](C(C(=O)c2cc(C(=O)[O-])co2)C(=S)NC(C2CC2)C2CC2)cc1 ZINC000738487202 600213883 /nfs/dbraw/zinc/21/38/83/600213883.db2.gz RBERJEZINLAZHL-UHFFFAOYSA-O 0 0 399.492 3.291 20 30 GGEDRN N#CCC[C@@H](NC(=O)CSc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826381671 607429186 /nfs/dbraw/zinc/42/91/86/607429186.db2.gz UMSXAOSLJDWUDU-QGZVFWFLSA-N 0 0 378.461 3.120 20 30 GGEDRN CC(C)[N@H+](CCC(=O)[O-])CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000736468321 600220541 /nfs/dbraw/zinc/22/05/41/600220541.db2.gz NRUAAXHXCDSMCO-UHFFFAOYSA-N 0 0 377.510 3.402 20 30 GGEDRN COc1cc(C[NH+]2CCC(C(=O)[O-])CC2)ccc1OCc1cccc(C#N)c1 ZINC000737880360 600260959 /nfs/dbraw/zinc/26/09/59/600260959.db2.gz AMQMKLNYUZYOBF-UHFFFAOYSA-N 0 0 380.444 3.442 20 30 GGEDRN CN(CC[NH+]1CCCC1)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000737441054 600548606 /nfs/dbraw/zinc/54/86/06/600548606.db2.gz MAGHIVUJYTUPCW-UHFFFAOYSA-N 0 0 391.471 3.344 20 30 GGEDRN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+]C2(C(=O)[O-])CCCC2)c1C#N ZINC000738252461 600558506 /nfs/dbraw/zinc/55/85/06/600558506.db2.gz BVBRKAOKNIOFBK-UHFFFAOYSA-N 0 0 398.438 3.030 20 30 GGEDRN N#Cc1ccc([C@H](C(=O)[O-])[NH+]2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000739106845 600563021 /nfs/dbraw/zinc/56/30/21/600563021.db2.gz UDSIQUGXWIUJQW-HXUWFJFHSA-N 0 0 399.878 3.034 20 30 GGEDRN COc1ccc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC(F)F ZINC000737995923 600563653 /nfs/dbraw/zinc/56/36/53/600563653.db2.gz UEYNVCMFCBWCHC-QGZVFWFLSA-N 0 0 376.359 3.426 20 30 GGEDRN N#Cc1ccc([C@H](C(=O)[O-])[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000739103388 600565445 /nfs/dbraw/zinc/56/54/45/600565445.db2.gz AQXOFTDAFAUOJV-CRAIPNDOSA-N 0 0 398.850 3.083 20 30 GGEDRN N#Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000739106095 600567979 /nfs/dbraw/zinc/56/79/79/600567979.db2.gz PRPSZEXVHHLGLJ-IBGZPJMESA-N 0 0 381.407 3.174 20 30 GGEDRN COc1ccc([C@H](C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000737958493 600590696 /nfs/dbraw/zinc/59/06/96/600590696.db2.gz ZTJUYSKQQMSUOG-SFTDATJTSA-N 0 0 379.460 3.119 20 30 GGEDRN C[C@@H]([NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000736662113 600593002 /nfs/dbraw/zinc/59/30/02/600593002.db2.gz LXVKLNUOCGNLPJ-BFUOFWGJSA-N 0 0 378.432 3.319 20 30 GGEDRN C[C@H]([NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000736662114 600593253 /nfs/dbraw/zinc/59/32/53/600593253.db2.gz LXVKLNUOCGNLPJ-DJJJIMSYSA-N 0 0 378.432 3.319 20 30 GGEDRN CCOc1cc(C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC(F)F ZINC000737191342 600594581 /nfs/dbraw/zinc/59/45/81/600594581.db2.gz IOCBHUSASAZKLJ-KRWDZBQOSA-N 0 0 376.359 3.474 20 30 GGEDRN N#Cc1ccc([C@H](Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)C(=O)[O-])cc1 ZINC000739108614 600595949 /nfs/dbraw/zinc/59/59/49/600595949.db2.gz FUWPQWYGHMLQQK-QFIPXVFZSA-N 0 0 390.487 3.328 20 30 GGEDRN N#Cc1ccc([C@@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)C(=O)[O-])cc1 ZINC000739107126 600595960 /nfs/dbraw/zinc/59/59/60/600595960.db2.gz PKWQPEXGIXCLBG-HXUWFJFHSA-N 0 0 386.411 3.121 20 30 GGEDRN N#Cc1ccc([C@@H](Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)C(=O)[O-])cc1 ZINC000739108610 600596118 /nfs/dbraw/zinc/59/61/18/600596118.db2.gz FUWPQWYGHMLQQK-JOCHJYFZSA-N 0 0 390.487 3.328 20 30 GGEDRN N#Cc1ccc([C@H]([NH2+]CCOc2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000739107438 600597012 /nfs/dbraw/zinc/59/70/12/600597012.db2.gz QBYDTTPGYJHRCC-INIZCTEOSA-N 0 0 375.222 3.115 20 30 GGEDRN Cc1ccccc1N=C1NC(=O)C(=Cc2ccc(-c3nn[nH]n3)cc2F)S1 ZINC000822362466 607456315 /nfs/dbraw/zinc/45/63/15/607456315.db2.gz UTMLDKZUXCPELQ-OQLLNIDSSA-N 0 0 380.408 3.206 20 30 GGEDRN Fc1cc(F)c(NN=Cc2ccc(-c3nn[nH]n3)cc2F)c(Br)c1 ZINC000822753627 607465416 /nfs/dbraw/zinc/46/54/16/607465416.db2.gz QFMZGBXHTMPTFA-UHFFFAOYSA-N 0 0 397.158 3.493 20 30 GGEDRN CN(C)c1ccc(N2CCC([NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000830639335 600755196 /nfs/dbraw/zinc/75/51/96/600755196.db2.gz DLMOLOZDTISCKB-OAQYLSRUSA-N 0 0 378.476 3.009 20 30 GGEDRN N#Cc1ccc([C@H](OC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C(=O)[O-])cc1 ZINC000739112007 600803855 /nfs/dbraw/zinc/80/38/55/600803855.db2.gz XNYRSIWYLBCEAT-QUCCMNQESA-N 0 0 396.418 3.278 20 30 GGEDRN N#Cc1ccc([C@@H](OC(=O)C2CC[NH+](Cc3ccccc3)CC2)C(=O)[O-])cc1 ZINC000739110096 600804160 /nfs/dbraw/zinc/80/41/60/600804160.db2.gz OMYIPYGVIGVFDH-HXUWFJFHSA-N 0 0 378.428 3.139 20 30 GGEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCCC[C@H]2CC(=O)[O-])c1C#N ZINC000832849940 600820109 /nfs/dbraw/zinc/82/01/09/600820109.db2.gz TUXSDUJXICBHRX-SFHVURJKSA-N 0 0 394.475 3.234 20 30 GGEDRN C[C@@H](C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1)C(=O)[O-] ZINC000827455921 600823168 /nfs/dbraw/zinc/82/31/68/600823168.db2.gz PDHKTPYJGNCFGC-HNNXBMFYSA-N 0 0 376.416 3.331 20 30 GGEDRN C[C@@H](C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1)C(=O)[O-] ZINC000827454879 600823382 /nfs/dbraw/zinc/82/33/82/600823382.db2.gz HRDIHEYVGVOLGR-HNNXBMFYSA-N 0 0 376.416 3.331 20 30 GGEDRN C[C@H]1C[C@@H](NC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC[N@@H+]1C ZINC000736759022 600941126 /nfs/dbraw/zinc/94/11/26/600941126.db2.gz FVOWCVJEZUDQLL-KKSFZXQISA-N 0 0 391.471 3.389 20 30 GGEDRN O=C([O-])CCC[NH+]1CCC(N=Nc2c(F)cc(F)cc2Br)CC1 ZINC000739672591 600947237 /nfs/dbraw/zinc/94/72/37/600947237.db2.gz UUXRRKRLLGGXRE-UHFFFAOYSA-N 0 0 390.228 3.456 20 30 GGEDRN C[C@@]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)(C(=O)[O-])C1CC1 ZINC000827735152 601033694 /nfs/dbraw/zinc/03/36/94/601033694.db2.gz PQZFOSJZQATBKE-IBGZPJMESA-N 0 0 375.494 3.060 20 30 GGEDRN N#Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000833071880 601037824 /nfs/dbraw/zinc/03/78/24/601037824.db2.gz MILVZHVJTFUILT-IBGZPJMESA-N 0 0 381.388 3.136 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1 ZINC000827217304 601132395 /nfs/dbraw/zinc/13/23/95/601132395.db2.gz BCNAWBMZMUHIHD-LSDHHAIUSA-N 0 0 390.509 3.094 20 30 GGEDRN N#Cc1cccc([C@H]([NH2+]CCc2ccc(F)c(Br)c2)C(=O)[O-])c1 ZINC000833076542 601302528 /nfs/dbraw/zinc/30/25/28/601302528.db2.gz WQSPKZVYLAHGNF-INIZCTEOSA-N 0 0 377.213 3.418 20 30 GGEDRN N#Cc1cccc([C@@H]([NH2+]CCc2ccc(F)c(Br)c2)C(=O)[O-])c1 ZINC000833076543 601302650 /nfs/dbraw/zinc/30/26/50/601302650.db2.gz WQSPKZVYLAHGNF-MRXNPFEDSA-N 0 0 377.213 3.418 20 30 GGEDRN COc1ccc(C2(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)CCOCC2)cc1 ZINC000832265748 601303248 /nfs/dbraw/zinc/30/32/48/601303248.db2.gz QZPHYVQGIXZJAY-FQEVSTJZSA-N 0 0 380.444 3.031 20 30 GGEDRN N#Cc1cccc([C@@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)C(=O)[O-])c1 ZINC000833076132 601303452 /nfs/dbraw/zinc/30/34/52/601303452.db2.gz QOATZYRFMWGCEN-HXUWFJFHSA-N 0 0 386.411 3.121 20 30 GGEDRN COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000832367457 601304457 /nfs/dbraw/zinc/30/44/57/601304457.db2.gz FIDHUDIOOFWPPN-LPHOPBHVSA-N 0 0 385.851 3.214 20 30 GGEDRN N#Cc1cccc([C@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)C(=O)[O-])c1 ZINC000833075971 601304606 /nfs/dbraw/zinc/30/46/06/601304606.db2.gz PDMIMWOUPXUBGU-FQEVSTJZSA-N 0 0 386.411 3.121 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC ZINC000828586329 601304934 /nfs/dbraw/zinc/30/49/34/601304934.db2.gz DJNIXTUZDBZMSF-PXNSSMCTSA-N 0 0 379.416 3.163 20 30 GGEDRN CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)ccc2NC1=O ZINC000829170547 601307072 /nfs/dbraw/zinc/30/70/72/601307072.db2.gz VUOYQXJTNAKUQP-KHDYIWLOSA-N 0 0 379.416 3.144 20 30 GGEDRN COc1ccccc1NC(=O)C1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832623742 601311661 /nfs/dbraw/zinc/31/16/61/601311661.db2.gz UYGLRRKTMFQZCN-HXUWFJFHSA-N 0 0 393.443 3.043 20 30 GGEDRN N#Cc1cccc([C@@H](C(=O)[O-])[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000833074503 601312184 /nfs/dbraw/zinc/31/21/84/601312184.db2.gz ZIBSBRIPBPBVGC-IBGZPJMESA-N 0 0 396.422 3.109 20 30 GGEDRN N#Cc1cccc([C@H](C(=O)[O-])[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000833074150 601312992 /nfs/dbraw/zinc/31/29/92/601312992.db2.gz PZMHQXBQKASPSW-LJQANCHMSA-N 0 0 397.862 3.185 20 30 GGEDRN C[C@@H](c1ccc(F)cc1F)N1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000827934522 601314398 /nfs/dbraw/zinc/31/43/98/601314398.db2.gz HAFWDIJOXBITHV-VBKZILBWSA-N 0 0 385.414 3.341 20 30 GGEDRN C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000827687009 601316140 /nfs/dbraw/zinc/31/61/40/601316140.db2.gz HYRIOCQRCIDIKU-KSSFIOAISA-N 0 0 387.480 3.309 20 30 GGEDRN CC(=O)N1CCCCC[C@H]1C1CC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000825834908 601317085 /nfs/dbraw/zinc/31/70/85/601317085.db2.gz ZNNBYFPLZIUHKV-SFTDATJTSA-N 0 0 383.492 3.187 20 30 GGEDRN CC(=O)N1CCCCC[C@H]1C1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000825834902 601317101 /nfs/dbraw/zinc/31/71/01/601317101.db2.gz ZNNBYFPLZIUHKV-LEWJYISDSA-N 0 0 383.492 3.187 20 30 GGEDRN C[N@H+](Cc1cc2c(cc1OC(F)F)OCO2)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830811170 601320042 /nfs/dbraw/zinc/32/00/42/601320042.db2.gz QLPUTSRDIOMGIV-KRWDZBQOSA-N 0 0 390.342 3.146 20 30 GGEDRN C[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830702047 601323871 /nfs/dbraw/zinc/32/38/71/601323871.db2.gz JNTURIRJQODYOF-INIZCTEOSA-N 0 0 375.469 3.167 20 30 GGEDRN Cc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891319 601544592 /nfs/dbraw/zinc/54/45/92/601544592.db2.gz QIJAZYVSXVDMPM-UHFFFAOYSA-N 0 0 394.431 3.185 20 30 GGEDRN COc1cc2[nH]c(CCC[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2c(OC)c1 ZINC000832033789 601560658 /nfs/dbraw/zinc/56/06/58/601560658.db2.gz GCRBJHOEQPIBII-OAQYLSRUSA-N 0 0 393.443 3.405 20 30 GGEDRN N#Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000738424807 601574790 /nfs/dbraw/zinc/57/47/90/601574790.db2.gz DGQBUXALFWNNHO-OAHLLOKOSA-N 0 0 375.494 3.156 20 30 GGEDRN COc1cc(NC2CC[NH+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000832026738 601598046 /nfs/dbraw/zinc/59/80/46/601598046.db2.gz RMRUOBHLVOUIIP-OAQYLSRUSA-N 0 0 395.459 3.278 20 30 GGEDRN Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC[C@H]2CCCO2)c1 ZINC000832933438 601851038 /nfs/dbraw/zinc/85/10/38/601851038.db2.gz BTNLFWONHTZVCX-TZIWHRDSSA-N 0 0 380.444 3.340 20 30 GGEDRN Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])ccc1Cl ZINC000832888845 601857368 /nfs/dbraw/zinc/85/73/68/601857368.db2.gz LQEMZZBLMAUWEG-OAHLLOKOSA-N 0 0 377.872 3.224 20 30 GGEDRN N#CCCN(C(=O)C[NH2+]C1(CC(=O)[O-])CCCCC1)c1cccc(Cl)c1 ZINC000833065777 601883926 /nfs/dbraw/zinc/88/39/26/601883926.db2.gz LXAALWOWGWTHGN-UHFFFAOYSA-N 0 0 377.872 3.354 20 30 GGEDRN FC(F)(F)c1ccc(CON=Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000826368183 607533059 /nfs/dbraw/zinc/53/30/59/607533059.db2.gz FYLRIPUVOGBJLF-UHFFFAOYSA-N 0 0 387.325 3.084 20 30 GGEDRN C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727031 601906197 /nfs/dbraw/zinc/90/61/97/601906197.db2.gz GFRBHEUYGQOKCA-GOSISDBHSA-N 0 0 391.349 3.062 20 30 GGEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000826027161 601922932 /nfs/dbraw/zinc/92/29/32/601922932.db2.gz UNUGNALYRHGANU-BUXKBTBVSA-N 0 0 375.494 3.012 20 30 GGEDRN COc1cc(OC)cc([C@H](C(=O)[O-])[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000832041364 604468403 /nfs/dbraw/zinc/46/84/03/604468403.db2.gz RQWYIIPJRJGDGP-OAQYLSRUSA-N 0 0 396.443 3.245 20 30 GGEDRN COc1cc(OC)cc([C@H](C(=O)[O-])[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000832040731 604470106 /nfs/dbraw/zinc/47/01/06/604470106.db2.gz IRIDRRYIYQWKEO-OAQYLSRUSA-N 0 0 396.443 3.245 20 30 GGEDRN N#CCCN(C(=O)C[NH2+]C1(C(=O)[O-])CCCCCC1)c1cccc(Cl)c1 ZINC000833760338 604481903 /nfs/dbraw/zinc/48/19/03/604481903.db2.gz OASPZWULXAVRPD-UHFFFAOYSA-N 0 0 377.872 3.354 20 30 GGEDRN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc(C(=O)[O-])c1C#N ZINC000833465746 604614664 /nfs/dbraw/zinc/61/46/64/604614664.db2.gz MRSWQUGLNPPUSE-HXUWFJFHSA-N 0 0 375.469 3.285 20 30 GGEDRN C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H]2CC(=O)[O-])cc1OC ZINC000833377937 604660199 /nfs/dbraw/zinc/66/01/99/604660199.db2.gz RHWUELROOLZWHD-ZDUSSCGKSA-N 0 0 384.270 3.462 20 30 GGEDRN C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824498417 607706910 /nfs/dbraw/zinc/70/69/10/607706910.db2.gz GZHZDEIXEBPROS-KDOFPFPSSA-N 0 0 375.436 3.272 20 30 GGEDRN C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824498416 607707168 /nfs/dbraw/zinc/70/71/68/607707168.db2.gz 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OIXNACXZQHBVBZ-STQMWFEESA-N 0 0 375.494 3.012 20 30 GGEDRN CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833654432 605047321 /nfs/dbraw/zinc/04/73/21/605047321.db2.gz PFYMHBQFGAIHEE-NRFANRHFSA-N 0 0 378.476 3.317 20 30 GGEDRN CC(C)C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000833478691 605224484 /nfs/dbraw/zinc/22/44/84/605224484.db2.gz UDJFVJAIFZZDIN-HRAATJIYSA-N 0 0 393.487 3.491 20 30 GGEDRN CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000833638955 605224512 /nfs/dbraw/zinc/22/45/12/605224512.db2.gz LRTJDKDIBHHJKB-WJONJSRFSA-N 0 0 393.487 3.491 20 30 GGEDRN CC(C)C[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000833478692 605224836 /nfs/dbraw/zinc/22/48/36/605224836.db2.gz UDJFVJAIFZZDIN-IERDGZPVSA-N 0 0 393.487 3.491 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000833565659 605364703 /nfs/dbraw/zinc/36/47/03/605364703.db2.gz 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O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)s1 ZINC000823396412 606192256 /nfs/dbraw/zinc/19/22/56/606192256.db2.gz ITIDKFIYTXOBMZ-UHFFFAOYSA-N 0 0 378.335 3.156 20 30 GGEDRN CC(C)[C@@H](C#N)OC(=O)c1ccc(OCc2ccccc2-c2nn[nH]n2)cc1 ZINC000820015155 606204814 /nfs/dbraw/zinc/20/48/14/606204814.db2.gz AYVHUUCXUJEXNB-GOSISDBHSA-N 0 0 377.404 3.151 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1occc1Br ZINC000819745762 606236739 /nfs/dbraw/zinc/23/67/39/606236739.db2.gz RDTDYAJORMEAOI-UHFFFAOYSA-N 0 0 388.225 3.051 20 30 GGEDRN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC000822801083 606299855 /nfs/dbraw/zinc/29/98/55/606299855.db2.gz DONQOGUQFWSQLB-XJKSGUPXSA-N 0 0 392.394 3.220 20 30 GGEDRN Cc1ccc(N=C2NC(=O)C(=Cc3cc(-c4nn[nH]n4)cs3)S2)c(C)c1 ZINC000822254563 606303720 /nfs/dbraw/zinc/30/37/20/606303720.db2.gz NAEHBDAINHNPJO-AUWJEWJLSA-N 0 0 382.474 3.437 20 30 GGEDRN C[C@@H](OC(=O)CSCc1ccc(-c2nn[nH]n2)cc1)c1ccc(C#N)cc1 ZINC000820498180 606342237 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C=CCNC(=O)Nc1ccc(N[C@H](C)C(=O)NCCc2ccccc2C)cc1 ZINC000029802292 1400355274 /nfs/dbraw/zinc/35/52/74/1400355274.db2.gz CWBBLNXWOGLXEB-QGZVFWFLSA-N 0 0 380.492 3.462 20 30 GGEDRN C=CCNC(=O)Nc1ccc(N[C@@H](C)C(=O)NCCOc2cccc(C)c2)cc1 ZINC000029802316 1400355387 /nfs/dbraw/zinc/35/53/87/1400355387.db2.gz PRXHIVXVIHHHMQ-KRWDZBQOSA-N 0 0 396.491 3.298 20 30 GGEDRN C=CCNC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000029811191 1400356650 /nfs/dbraw/zinc/35/66/50/1400356650.db2.gz AZUQDPDVTKKALL-ZDUSSCGKSA-N 0 0 382.420 3.162 20 30 GGEDRN C=CCNC(=O)Nc1ccc(N[C@H](C)C(=O)N2CCc3sccc3C2)cc1 ZINC000029811781 1400357145 /nfs/dbraw/zinc/35/71/45/1400357145.db2.gz JRUOCMIKBZNVKZ-CQSZACIVSA-N 0 0 384.505 3.441 20 30 GGEDRN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2ccccc2C#N)CC1 ZINC000029820863 1400357943 /nfs/dbraw/zinc/35/79/43/1400357943.db2.gz ZNPPVEKCYOLGTL-HXUWFJFHSA-N 0 0 383.879 3.244 20 30 GGEDRN Cc1cccc(C(=O)N2CCCN([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000029847727 1400363049 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CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)N(C)C)cc1 ZINC000045460944 1404126350 /nfs/dbraw/zinc/12/63/50/1404126350.db2.gz WRETUBPYMLVUEI-UHFFFAOYSA-N 0 0 378.476 3.382 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@H](NC(N)=O)c1cccc(C)c1 ZINC000045467120 1404127692 /nfs/dbraw/zinc/12/76/92/1404127692.db2.gz ALMGQLIHYSDCOL-FQEVSTJZSA-N 0 0 378.476 3.405 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](CC(C)C)N1CCOCC1 ZINC000045492542 1404132457 /nfs/dbraw/zinc/13/24/57/1404132457.db2.gz TUSJEARQTWTZDI-NRFANRHFSA-N 0 0 386.540 3.227 20 30 GGEDRN CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000045499068 1404132841 /nfs/dbraw/zinc/13/28/41/1404132841.db2.gz BQACKKNKDIXWFT-CYBMUJFWSA-N 0 0 381.388 3.476 20 30 GGEDRN CCN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000045498984 1404133309 /nfs/dbraw/zinc/13/33/09/1404133309.db2.gz SPPLKTOAXVBROG-OAHLLOKOSA-N 0 0 385.489 3.032 20 30 GGEDRN CCN(C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000045499200 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CCN(CC)C(=O)c1ccc(CNC(=O)Nc2cc(C#N)ccc2OC)cc1 ZINC000050108284 1405485229 /nfs/dbraw/zinc/48/52/29/1405485229.db2.gz OUEQXJNIUWESET-UHFFFAOYSA-N 0 0 380.448 3.371 20 30 GGEDRN CC(C)Oc1cccc([C@H](C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000050114477 1405489351 /nfs/dbraw/zinc/48/93/51/1405489351.db2.gz SLEQZFZSWASVSE-KRWDZBQOSA-N 0 0 393.491 3.333 20 30 GGEDRN CC(C)Oc1ccccc1[C@H](C)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000050114716 1405489834 /nfs/dbraw/zinc/48/98/34/1405489834.db2.gz MBGVODHFXGGPNX-KRWDZBQOSA-N 0 0 393.491 3.333 20 30 GGEDRN CC(C)Oc1cccc([C@@H](C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000050114475 1405489889 /nfs/dbraw/zinc/48/98/89/1405489889.db2.gz SLEQZFZSWASVSE-QGZVFWFLSA-N 0 0 393.491 3.333 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)C(=O)NCCSc1ccc(Cl)cc1 ZINC000050148156 1405501307 /nfs/dbraw/zinc/50/13/07/1405501307.db2.gz IVKJBMGYUYSDFM-UHFFFAOYSA-N 0 0 389.864 3.067 20 30 GGEDRN CSc1ccc([C@@H](C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000050148436 1405502858 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20 30 GGEDRN CCCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000052825586 1406186610 /nfs/dbraw/zinc/18/66/10/1406186610.db2.gz QXMJYKKLGVDDRY-UHFFFAOYSA-N 0 0 382.420 3.326 20 30 GGEDRN CC(C)N(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000052832806 1406190759 /nfs/dbraw/zinc/19/07/59/1406190759.db2.gz HJYHIPUAVDBUBZ-UHFFFAOYSA-N 0 0 389.421 3.479 20 30 GGEDRN COc1cc(NC2CCN(C(=O)c3cccc(CC#N)c3)CC2)cc(OC)c1 ZINC000176307016 1428234178 /nfs/dbraw/zinc/23/41/78/1428234178.db2.gz HDCUFNNNCBHSCT-UHFFFAOYSA-N 0 0 379.460 3.487 20 30 GGEDRN Cc1noc([C@@H]2CCCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000052862723 1406202685 /nfs/dbraw/zinc/20/26/85/1406202685.db2.gz KDPQGBQZJXDSLN-WCQYABFASA-N 0 0 385.493 3.007 20 30 GGEDRN N#Cc1ccsc1NC(=O)CN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000052872646 1406211331 /nfs/dbraw/zinc/21/13/31/1406211331.db2.gz BJHIZYXAEQLBDO-UHFFFAOYSA-N 0 0 389.427 3.431 20 30 GGEDRN COC(=O)C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000052872922 1406212441 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COc1cccc(N2CCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)c1 ZINC000052896070 1406219552 /nfs/dbraw/zinc/21/95/52/1406219552.db2.gz RXZOSEQDRXBFKM-IBGZPJMESA-N 0 0 392.503 3.153 20 30 GGEDRN N#Cc1ccc(CSCC(=O)NCCc2cc(F)cc3c2OCOC3)cc1 ZINC000052901914 1406222003 /nfs/dbraw/zinc/22/20/03/1406222003.db2.gz KEHNEKRTJKMPNW-UHFFFAOYSA-N 0 0 386.448 3.156 20 30 GGEDRN C=CCn1nnnc1SCc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000052911058 1406226002 /nfs/dbraw/zinc/22/60/02/1406226002.db2.gz DNBGYNOFWOEPAD-UHFFFAOYSA-N 0 0 386.502 3.293 20 30 GGEDRN C=CCn1nnnc1SCC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000052911132 1406226250 /nfs/dbraw/zinc/22/62/50/1406226250.db2.gz ZWHWGPNLURKSQX-QGZVFWFLSA-N 0 0 387.509 3.104 20 30 GGEDRN C=CCn1nnnc1SCC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000052910526 1406226518 /nfs/dbraw/zinc/22/65/18/1406226518.db2.gz CITMUIJXLUBQJE-LJQANCHMSA-N 0 0 397.479 3.338 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(CC(=O)OC)CC2)cc1 ZINC000056758159 1407421794 /nfs/dbraw/zinc/42/17/94/1407421794.db2.gz TVLLJXNKSUCTPZ-UHFFFAOYSA-N 0 0 399.491 3.308 20 30 GGEDRN C=CCOc1cccc(NC(=O)N2CCN(CCOc3ccccc3)CC2)c1 ZINC000056772220 1407428047 /nfs/dbraw/zinc/42/80/47/1407428047.db2.gz KMQSCFVHXVKNEL-UHFFFAOYSA-N 0 0 381.476 3.480 20 30 GGEDRN C=CCOc1cccc(NC(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)c1 ZINC000056772469 1407428825 /nfs/dbraw/zinc/42/88/25/1407428825.db2.gz SKRDXUWFZQFMLS-UHFFFAOYSA-N 0 0 395.459 3.250 20 30 GGEDRN C=CCOc1cccc(NC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c1 ZINC000056772548 1407428923 /nfs/dbraw/zinc/42/89/23/1407428923.db2.gz MFCWBALVTHKXAG-UHFFFAOYSA-N 0 0 379.460 3.170 20 30 GGEDRN C=CCOc1cccc(NC(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)c1 ZINC000056772475 1407429180 /nfs/dbraw/zinc/42/91/80/1407429180.db2.gz QZEYIBWGIHXDBH-UHFFFAOYSA-N 0 0 395.459 3.250 20 30 GGEDRN C=CCN(Cc1ccccc1F)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000056792802 1407434774 /nfs/dbraw/zinc/43/47/74/1407434774.db2.gz MZZHNGBKSUPIIM-NRFANRHFSA-N 0 0 397.494 3.424 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000056801850 1407437040 /nfs/dbraw/zinc/43/70/40/1407437040.db2.gz RYNLSHULWJLASS-UHFFFAOYSA-N 0 0 395.419 3.219 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000056802082 1407437091 /nfs/dbraw/zinc/43/70/91/1407437091.db2.gz QBFINQJHXNGTAG-MRXNPFEDSA-N 0 0 397.431 3.055 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000056802508 1407437146 /nfs/dbraw/zinc/43/71/46/1407437146.db2.gz JCUMHFNXJIRJNC-UHFFFAOYSA-N 0 0 398.488 3.398 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000056801967 1407437173 /nfs/dbraw/zinc/43/71/73/1407437173.db2.gz CRBWGZQOZWYFLM-UHFFFAOYSA-N 0 0 389.459 3.178 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000056802370 1407437253 /nfs/dbraw/zinc/43/72/53/1407437253.db2.gz BNLVLZSHFAOPLG-UHFFFAOYSA-N 0 0 392.459 3.255 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)NCc1ccn(-c2ccc(OC)cc2)n1 ZINC000056802576 1407437738 /nfs/dbraw/zinc/43/77/38/1407437738.db2.gz GEGGTDMMCXCRTB-UHFFFAOYSA-N 0 0 391.431 3.473 20 30 GGEDRN COc1ccc(-n2ccc(CNC(=O)N[C@H](C)c3ccc(C#N)cc3)n2)cc1 ZINC000056822116 1407444188 /nfs/dbraw/zinc/44/41/88/1407444188.db2.gz QMRDENYNYUPBSJ-OAHLLOKOSA-N 0 0 375.432 3.313 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000056828030 1407446251 /nfs/dbraw/zinc/44/62/51/1407446251.db2.gz IQZMITUWOQEXPY-ROUUACIJSA-N 0 0 389.540 3.281 20 30 GGEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H]2CCc3cc(F)ccc32)CC1 ZINC000056840761 1407451969 /nfs/dbraw/zinc/45/19/69/1407451969.db2.gz KPLBXJVDJJDTHJ-QGZVFWFLSA-N 0 0 395.438 3.082 20 30 GGEDRN N#Cc1cccc(CNC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000056848754 1407455340 /nfs/dbraw/zinc/45/53/40/1407455340.db2.gz QMAGOCZTMKNUTJ-MRXNPFEDSA-N 0 0 397.866 3.167 20 30 GGEDRN Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000056881847 1407463725 /nfs/dbraw/zinc/46/37/25/1407463725.db2.gz JXYMCVGYOMOOCO-HNNXBMFYSA-N 0 0 382.489 3.157 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cccc(C(=O)NCC)c1 ZINC000056886071 1407465394 /nfs/dbraw/zinc/46/53/94/1407465394.db2.gz NKDKEAFODMSDSZ-UHFFFAOYSA-N 0 0 381.476 3.343 20 30 GGEDRN C[C@@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056889346 1407465937 /nfs/dbraw/zinc/46/59/37/1407465937.db2.gz GWDNITUVOXXSPH-MRXNPFEDSA-N 0 0 393.447 3.055 20 30 GGEDRN C=CCN(Cc1ccccc1F)C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000056892870 1407467489 /nfs/dbraw/zinc/46/74/89/1407467489.db2.gz DUMGPTUSYOPEKG-UHFFFAOYSA-N 0 0 399.466 3.191 20 30 GGEDRN N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCc4c3cccc4Cl)CC2)c1 ZINC000056901148 1407471705 /nfs/dbraw/zinc/47/17/05/1407471705.db2.gz VPRSNPYGTLOKJT-GOSISDBHSA-N 0 0 381.867 3.126 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000056926616 1407473552 /nfs/dbraw/zinc/47/35/52/1407473552.db2.gz DBRGXFCLOKJFIX-UHFFFAOYSA-N 0 0 381.476 3.051 20 30 GGEDRN C[C@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccc(F)c(Cl)c1 ZINC000056942372 1407479575 /nfs/dbraw/zinc/47/95/75/1407479575.db2.gz BGVMSXWFIMYBOK-ZDUSSCGKSA-N 0 0 387.846 3.339 20 30 GGEDRN CC(C)COc1cccc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000056957305 1407485250 /nfs/dbraw/zinc/48/52/50/1407485250.db2.gz RKGRWCNMNRDTAJ-UHFFFAOYSA-N 0 0 393.491 3.020 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)c2cccnc2N2CCCCC2)CC1 ZINC000056992437 1407494329 /nfs/dbraw/zinc/49/43/29/1407494329.db2.gz WORCZIHAPGJMRA-UHFFFAOYSA-N 0 0 393.466 3.045 20 30 GGEDRN COCCN1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1=O ZINC000057002761 1407496731 /nfs/dbraw/zinc/49/67/31/1407496731.db2.gz HLFNQHMZIWNFFW-KRWDZBQOSA-N 0 0 393.443 3.092 20 30 GGEDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000057012080 1407499721 /nfs/dbraw/zinc/49/97/21/1407499721.db2.gz JPRDZKWFZJBCNA-UHFFFAOYSA-N 0 0 394.500 3.490 20 30 GGEDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)S(=O)(=O)c1cccc(C#N)c1 ZINC000057012085 1407499960 /nfs/dbraw/zinc/49/99/60/1407499960.db2.gz UMPPEQOQDFSRMQ-UHFFFAOYSA-N 0 0 394.500 3.490 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000057023586 1407503357 /nfs/dbraw/zinc/50/33/57/1407503357.db2.gz ORCVXLCXBYJIHN-CQSZACIVSA-N 0 0 389.452 3.248 20 30 GGEDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(CCC#N)CCC#N)cc2[N+](=O)[O-])C1 ZINC000057027356 1407504763 /nfs/dbraw/zinc/50/47/63/1407504763.db2.gz CIEBZSGXGCJQEQ-HZPDHXFCSA-N 0 0 383.452 3.347 20 30 GGEDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(CCC#N)CCC#N)cc2[N+](=O)[O-])C1 ZINC000057027355 1407504805 /nfs/dbraw/zinc/50/48/05/1407504805.db2.gz CIEBZSGXGCJQEQ-HOTGVXAUSA-N 0 0 383.452 3.347 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC)c(Cl)c2)cc1 ZINC000057039476 1407506359 /nfs/dbraw/zinc/50/63/59/1407506359.db2.gz ACNZEVQJBHUZSJ-UHFFFAOYSA-N 0 0 394.880 3.455 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000057064334 1407514269 /nfs/dbraw/zinc/51/42/69/1407514269.db2.gz OMTLHEMDTRKQER-SFHVURJKSA-N 0 0 397.498 3.128 20 30 GGEDRN N#CCOc1ccc(CNC(=O)NCCc2nc(C(F)(F)F)cs2)cc1 ZINC000176324095 1428244775 /nfs/dbraw/zinc/24/47/75/1428244775.db2.gz SHQTYXMKQMZJCJ-UHFFFAOYSA-N 0 0 384.383 3.106 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000057117955 1407522692 /nfs/dbraw/zinc/52/26/92/1407522692.db2.gz WWJAPFYUVNDCRG-UHFFFAOYSA-N 0 0 391.475 3.482 20 30 GGEDRN Cn1c2ccccc2nc1[C@@H]1CCCCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000057120114 1407523967 /nfs/dbraw/zinc/52/39/67/1407523967.db2.gz WZJYBRMMHDARGE-IBGZPJMESA-N 0 0 380.473 3.361 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1 ZINC000057122909 1407526396 /nfs/dbraw/zinc/52/63/96/1407526396.db2.gz GLQRBMKJEXOXOR-UHFFFAOYSA-N 0 0 383.473 3.422 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000057123578 1407526943 /nfs/dbraw/zinc/52/69/43/1407526943.db2.gz ZGBXDOHUFXXVIH-UHFFFAOYSA-N 0 0 398.484 3.237 20 30 GGEDRN COc1ccccc1-c1nc(NC(=O)Cc2nnn(-c3ccccc3)c2C)n[nH]1 ZINC000057170465 1407542762 /nfs/dbraw/zinc/54/27/62/1407542762.db2.gz GMQHHAVZJAAIDT-UHFFFAOYSA-N 0 0 389.419 3.200 20 30 GGEDRN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1(CC)CC ZINC000176326898 1428246542 /nfs/dbraw/zinc/24/65/42/1428246542.db2.gz ARPLTSPMXAGJGJ-MOPGFXCFSA-N 0 0 395.507 3.382 20 30 GGEDRN C=CC(=O)NCc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000057196366 1407553066 /nfs/dbraw/zinc/55/30/66/1407553066.db2.gz SZLOZQWHPWPSQQ-UHFFFAOYSA-N 0 0 386.373 3.289 20 30 GGEDRN Cc1ccccc1OCCNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000057208536 1407555855 /nfs/dbraw/zinc/55/58/55/1407555855.db2.gz GKEFRIACHJXPGP-UHFFFAOYSA-N 0 0 378.476 3.167 20 30 GGEDRN C=CCN(C(=O)CCC(=O)c1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000057238126 1407565437 /nfs/dbraw/zinc/56/54/37/1407565437.db2.gz KHMWBQGHQIERAE-LJQANCHMSA-N 0 0 385.485 3.004 20 30 GGEDRN C=CCN(C(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000057238664 1407565616 /nfs/dbraw/zinc/56/56/16/1407565616.db2.gz IDOCJNRYNXYTTG-PXNSSMCTSA-N 0 0 399.512 3.323 20 30 GGEDRN C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000176328381 1428248608 /nfs/dbraw/zinc/24/86/08/1428248608.db2.gz JDXHIUOWMSUDDJ-CYBMUJFWSA-N 0 0 395.394 3.338 20 30 GGEDRN Cc1ccc2nc(CNC(=O)CSc3nc(C)c(C)c(C)c3C#N)cn2c1 ZINC000057267852 1407574929 /nfs/dbraw/zinc/57/49/29/1407574929.db2.gz NQRJIBJENXKPQU-UHFFFAOYSA-N 0 0 379.489 3.243 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)N2CCN(Cc3ccncc3)CC2)cc1OC ZINC000057291257 1407581544 /nfs/dbraw/zinc/58/15/44/1407581544.db2.gz RWJJPWSCIUPKSC-FNORWQNLSA-N 0 0 393.487 3.013 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)cc1 ZINC000057307095 1407584530 /nfs/dbraw/zinc/58/45/30/1407584530.db2.gz RZELYTRZEQOZCY-FQEVSTJZSA-N 0 0 398.528 3.388 20 30 GGEDRN C[C@H](NC(=O)c1cccc(NC(=O)CCn2ccnc2)c1)c1ccc(C#N)cc1 ZINC000057311403 1407585070 /nfs/dbraw/zinc/58/50/70/1407585070.db2.gz FNYWYUOFZJLTCJ-INIZCTEOSA-N 0 0 387.443 3.275 20 30 GGEDRN CCN(Cc1ccccc1)C(=O)CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000057315027 1407585774 /nfs/dbraw/zinc/58/57/74/1407585774.db2.gz OAEAZZGCBCUFPF-QFIPXVFZSA-N 0 0 393.487 3.127 20 30 GGEDRN C=CCOc1ccc(C(=O)NCC(=O)N(CC)Cc2ccccc2)cc1OC ZINC000057314167 1407586099 /nfs/dbraw/zinc/58/60/99/1407586099.db2.gz VMAQVNPAUDVSEM-UHFFFAOYSA-N 0 0 382.460 3.039 20 30 GGEDRN C=CCOc1ccc(C(=O)N2C[C@@H](C(=O)NCCCC)CC[C@@H]2C)cc1OC ZINC000057334525 1407590534 /nfs/dbraw/zinc/59/05/34/1407590534.db2.gz CZQINDMSTDHJRW-WMZOPIPTSA-N 0 0 388.508 3.417 20 30 GGEDRN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000057337373 1407591051 /nfs/dbraw/zinc/59/10/51/1407591051.db2.gz DKERDZHXQRUMTJ-VQIMIIECSA-N 0 0 387.549 3.335 20 30 GGEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000057374609 1407599369 /nfs/dbraw/zinc/59/93/69/1407599369.db2.gz NWYMXZCSQVRQLT-LJQANCHMSA-N 0 0 399.472 3.022 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C2(C#N)CCCCC2)cc1 ZINC000057383339 1407603007 /nfs/dbraw/zinc/60/30/07/1407603007.db2.gz YJDOPDGKMSWNSR-MRXNPFEDSA-N 0 0 391.537 3.368 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N(Cc2ccccc2)CC2CCC2)cc1 ZINC000057400101 1407608086 /nfs/dbraw/zinc/60/80/86/1407608086.db2.gz HWGYCGFXJULXFK-UHFFFAOYSA-N 0 0 396.512 3.302 20 30 GGEDRN Cc1ccc(CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C(C)C)s1 ZINC000057402023 1407608673 /nfs/dbraw/zinc/60/86/73/1407608673.db2.gz NAEWBLCLOUYDSM-UHFFFAOYSA-N 0 0 390.530 3.280 20 30 GGEDRN N#CC1(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CCCCC1 ZINC000057430893 1407615611 /nfs/dbraw/zinc/61/56/11/1407615611.db2.gz KAJFAECMJFPUPC-UHFFFAOYSA-N 0 0 393.409 3.464 20 30 GGEDRN COc1cc(C#N)ccc1OS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000057479265 1407632532 /nfs/dbraw/zinc/63/25/32/1407632532.db2.gz GNCONWJLEJTXHQ-UHFFFAOYSA-N 0 0 375.299 3.492 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCC2(C)C)cc1 ZINC000176337092 1428253254 /nfs/dbraw/zinc/25/32/54/1428253254.db2.gz HKDRPLXKDDDMBO-SFHVURJKSA-N 0 0 383.492 3.134 20 30 GGEDRN COc1ccc2oc(C(=O)OCC(=O)N(CC#N)c3ccccc3)c(C)c2c1 ZINC000057507401 1407639976 /nfs/dbraw/zinc/63/99/76/1407639976.db2.gz ASHAATVERIGIJO-UHFFFAOYSA-N 0 0 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GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066333191 1408814445 /nfs/dbraw/zinc/81/44/45/1408814445.db2.gz AOOFIXJJODZYEV-UHFFFAOYSA-N 0 0 383.360 3.277 20 30 GGEDRN CN(C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)C1(C#N)CCC1 ZINC000066335495 1408815594 /nfs/dbraw/zinc/81/55/94/1408815594.db2.gz SDZPNTNLZJEUHS-UHFFFAOYSA-N 0 0 384.486 3.091 20 30 GGEDRN CN(C(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)C1(C#N)CCC1 ZINC000066336522 1408816226 /nfs/dbraw/zinc/81/62/26/1408816226.db2.gz LRBZGQSBMGIKEY-LJQANCHMSA-N 0 0 392.459 3.483 20 30 GGEDRN N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000176527397 1428351197 /nfs/dbraw/zinc/35/11/97/1428351197.db2.gz JARAXTNCLBCGJZ-IRLDBZIGSA-N 0 0 390.487 3.310 20 30 GGEDRN N#Cc1ccc(NC(=O)NC[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1 ZINC000066354912 1408821938 /nfs/dbraw/zinc/82/19/38/1408821938.db2.gz DBCNQUBWNFVUGL-HNNXBMFYSA-N 0 0 379.338 3.138 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)NCC(=O)N(CC)Cc1ccccc1 ZINC000066357328 1408822605 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GGEDRN N#C[C@H](NC(=O)Cn1nnc(-c2ccccc2)n1)c1cccc(Cl)c1Cl ZINC000066394662 1408829717 /nfs/dbraw/zinc/82/97/17/1408829717.db2.gz PKWLIWOYFYHGEN-AWEZNQCLSA-N 0 0 387.230 3.028 20 30 GGEDRN N#C[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)c1cccc(Cl)c1Cl ZINC000066394663 1408829890 /nfs/dbraw/zinc/82/98/90/1408829890.db2.gz PKWLIWOYFYHGEN-CQSZACIVSA-N 0 0 387.230 3.028 20 30 GGEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCn2ncc(=O)c3ccccc32)cc1 ZINC000066396430 1408830278 /nfs/dbraw/zinc/83/02/78/1408830278.db2.gz QXUFXJJSGCUQFP-LJQANCHMSA-N 0 0 388.471 3.465 20 30 GGEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 ZINC000066396551 1408830501 /nfs/dbraw/zinc/83/05/01/1408830501.db2.gz CSNYYIWUWWGKHC-LPHOPBHVSA-N 0 0 379.460 3.307 20 30 GGEDRN C[C@@H](NC(=O)COc1ccccc1)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000066396769 1408830526 /nfs/dbraw/zinc/83/05/26/1408830526.db2.gz HGNGAZVBCLXDBF-UZLBHIALSA-N 0 0 393.487 3.249 20 30 GGEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCNC(=O)OCC(F)(F)F)cc1 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C=C(C)COc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c1 ZINC000066462918 1408842447 /nfs/dbraw/zinc/84/24/47/1408842447.db2.gz XYKBUKGABLQUBM-UHFFFAOYSA-N 0 0 390.417 3.206 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N(C)C)c2)c1 ZINC000066463149 1408842493 /nfs/dbraw/zinc/84/24/93/1408842493.db2.gz DCXVESJMQXZDQW-UHFFFAOYSA-N 0 0 392.452 3.283 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NC)cc2)c1 ZINC000066463534 1408842803 /nfs/dbraw/zinc/84/28/03/1408842803.db2.gz MKPHEMSQFUHQNB-UHFFFAOYSA-N 0 0 388.489 3.121 20 30 GGEDRN CCOC(=O)c1c(NC(=O)[C@@H](C)N(C)C[C@@H](C)C#N)sc2c1CCCC2 ZINC000066470322 1408843603 /nfs/dbraw/zinc/84/36/03/1408843603.db2.gz NHKSAJWEKFXTQG-QWHCGFSZSA-N 0 0 377.510 3.222 20 30 GGEDRN N#Cc1ccc(CN(C(=O)Nc2cccn(CC(F)(F)F)c2=O)C2CC2)cc1 ZINC000176533029 1428353506 /nfs/dbraw/zinc/35/35/06/1428353506.db2.gz GUJKZQGZCBOWBO-UHFFFAOYSA-N 0 0 390.365 3.479 20 30 GGEDRN CC(C)(C)c1ccc(CS(=O)(=O)C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000066486951 1408846128 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COc1ccc(S[C@@H](C)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000066526334 1408853179 /nfs/dbraw/zinc/85/31/79/1408853179.db2.gz RJTIURIRTILBHG-HNNXBMFYSA-N 0 0 396.516 3.228 20 30 GGEDRN Cc1ccc(C)c(SCC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000066526752 1408853548 /nfs/dbraw/zinc/85/35/48/1408853548.db2.gz GLRWQUZCKUNTDE-UHFFFAOYSA-N 0 0 380.517 3.447 20 30 GGEDRN C[C@H]1C[C@H]1c1ccc(CCC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000066526756 1408853591 /nfs/dbraw/zinc/85/35/91/1408853591.db2.gz BCANQUCCVLAGOE-HNAYVOBHSA-N 0 0 378.476 3.387 20 30 GGEDRN Cc1oc(-c2ccccc2)nc1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000066527095 1408853601 /nfs/dbraw/zinc/85/36/01/1408853601.db2.gz GEMGPRJUVIVMKF-UHFFFAOYSA-N 0 0 387.443 3.316 20 30 GGEDRN Cc1csc(=O)n1CCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066544751 1408855404 /nfs/dbraw/zinc/85/54/04/1408855404.db2.gz IIMUTJYPDYFVES-OAHLLOKOSA-N 0 0 394.481 3.480 20 30 GGEDRN Cc1nn(C)c(C)c1CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066545545 1408855781 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393.940 3.068 20 30 GGEDRN C=C(C)COc1cccc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000066587680 1408861712 /nfs/dbraw/zinc/86/17/12/1408861712.db2.gz CJFUUCPAETYEDK-UHFFFAOYSA-N 0 0 390.461 3.409 20 30 GGEDRN Cc1ccc(C[C@H](C)NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(C)c1 ZINC000066618266 1408869473 /nfs/dbraw/zinc/86/94/73/1408869473.db2.gz VIVUEKKGFJUTHI-SFHVURJKSA-N 0 0 377.492 3.033 20 30 GGEDRN N#CCCN(C(=O)CCC(=O)Nc1nnc(C(F)(F)F)s1)c1ccccc1 ZINC000066620238 1408870219 /nfs/dbraw/zinc/87/02/19/1408870219.db2.gz ITUUTSXKZFCANA-UHFFFAOYSA-N 0 0 397.382 3.222 20 30 GGEDRN Cc1cc([C@H]2CCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)no1 ZINC000066620413 1408870317 /nfs/dbraw/zinc/87/03/17/1408870317.db2.gz VSKCMVWEPJKBKD-LJQANCHMSA-N 0 0 380.448 3.374 20 30 GGEDRN Cc1c(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)n[nH]c1C(F)(F)F ZINC000066622360 1408870871 /nfs/dbraw/zinc/87/08/71/1408870871.db2.gz CSGZGXPJBUKAOF-UHFFFAOYSA-N 0 0 393.369 3.403 20 30 GGEDRN C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 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1428374830 /nfs/dbraw/zinc/37/48/30/1428374830.db2.gz XYYXQKWEYZGLMF-HXUWFJFHSA-N 0 0 377.440 3.142 20 30 GGEDRN C=CCN(CCC(=O)Nc1ccccc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000067399983 1409102748 /nfs/dbraw/zinc/10/27/48/1409102748.db2.gz KNMJBPJGGOGXCD-IBGZPJMESA-N 0 0 398.528 3.357 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CCOc3c(Cl)cccc32)c1 ZINC000067399167 1409102837 /nfs/dbraw/zinc/10/28/37/1409102837.db2.gz XWVYCLNZECOODC-KRWDZBQOSA-N 0 0 386.835 3.483 20 30 GGEDRN C=CCN(CCC(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000067399982 1409103050 /nfs/dbraw/zinc/10/30/50/1409103050.db2.gz KNMJBPJGGOGXCD-LJQANCHMSA-N 0 0 398.528 3.357 20 30 GGEDRN COc1cccc(C#CCOC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c1 ZINC000176597412 1428374942 /nfs/dbraw/zinc/37/49/42/1428374942.db2.gz IPLLAOWGKJTTNP-UHFFFAOYSA-N 0 0 386.473 3.274 20 30 GGEDRN C=CCNC(=O)CN1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000067401512 1409104126 /nfs/dbraw/zinc/10/41/26/1409104126.db2.gz MVSHGTZZTSGAKI-UHFFFAOYSA-N 0 0 382.439 3.130 20 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398.459 3.475 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NCc2ccc(N(CC)CC)nc2)c1 ZINC000067496272 1409137022 /nfs/dbraw/zinc/13/70/22/1409137022.db2.gz JNWFSVWAYQXVGZ-UHFFFAOYSA-N 0 0 396.491 3.138 20 30 GGEDRN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N(C)CCC#N)c2)c1 ZINC000067509324 1409141336 /nfs/dbraw/zinc/14/13/36/1409141336.db2.gz XAHPOGBHFROZSB-UHFFFAOYSA-N 0 0 391.880 3.435 20 30 GGEDRN C#Cc1cccc(NC(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)c1 ZINC000067545265 1409155075 /nfs/dbraw/zinc/15/50/75/1409155075.db2.gz ASPNHQDKNGBTOI-UHFFFAOYSA-N 0 0 378.428 3.267 20 30 GGEDRN CCCCC1CCC(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000067552702 1409157693 /nfs/dbraw/zinc/15/76/93/1409157693.db2.gz HWNDIHRPMCSCAY-UHFFFAOYSA-N 0 0 376.522 3.338 20 30 GGEDRN C=CCc1cc(C(=O)Nc2ccc(OC)cc2C(=O)OC)cc(OC)c1OC ZINC000067553336 1409158432 /nfs/dbraw/zinc/15/84/32/1409158432.db2.gz KDBUVQBAYJVEKN-UHFFFAOYSA-N 0 0 385.416 3.480 20 30 GGEDRN N#Cc1cccc(NC(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000067554614 1409158806 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N#CCOc1cccc(NC(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c1 ZINC000067568021 1409167493 /nfs/dbraw/zinc/16/74/93/1409167493.db2.gz ZZJZIAOBIGHQQI-LJQANCHMSA-N 0 0 394.431 3.028 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000067598267 1409181377 /nfs/dbraw/zinc/18/13/77/1409181377.db2.gz YYTQQJGEBMDMQO-UHFFFAOYSA-N 0 0 383.835 3.007 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000067598418 1409181416 /nfs/dbraw/zinc/18/14/16/1409181416.db2.gz QOICELJKBWJYOV-UHFFFAOYSA-N 0 0 387.361 3.364 20 30 GGEDRN C#Cc1cccc(NC(=O)C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000067598420 1409181447 /nfs/dbraw/zinc/18/14/47/1409181447.db2.gz YBTWKTGARNVZTI-UHFFFAOYSA-N 0 0 386.373 3.473 20 30 GGEDRN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H](C#N)C2CCCCC2)cc1 ZINC000176637522 1428387795 /nfs/dbraw/zinc/38/77/95/1428387795.db2.gz CIQHLNSWBPZPCD-GOSISDBHSA-N 0 0 399.520 3.265 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c1 ZINC000176622196 1428382141 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CN(C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)C1(C#N)CCC1 ZINC000067684013 1409206335 /nfs/dbraw/zinc/20/63/35/1409206335.db2.gz MSZUJDUZTALBCH-UHFFFAOYSA-N 0 0 387.436 3.145 20 30 GGEDRN Cc1ccc(-c2csc3ncn(CCC(=O)N(CC#N)C4CC4)c(=O)c23)cc1 ZINC000067686592 1409206846 /nfs/dbraw/zinc/20/68/46/1409206846.db2.gz QGUKMDXTFAPWIQ-UHFFFAOYSA-N 0 0 392.484 3.338 20 30 GGEDRN COc1cc([C@H](C#N)NC(=O)CCCOc2ccccc2)cc(OC)c1OC ZINC000067701551 1409208493 /nfs/dbraw/zinc/20/84/93/1409208493.db2.gz GTRKGSHAEKWKMD-KRWDZBQOSA-N 0 0 384.432 3.252 20 30 GGEDRN COc1cc([C@@H](C#N)NC(=O)[C@@H](C)Oc2cccc(C)c2)cc(OC)c1OC ZINC000067701595 1409208796 /nfs/dbraw/zinc/20/87/96/1409208796.db2.gz ROGIAGJKKVKKQE-RHSMWYFYSA-N 0 0 384.432 3.169 20 30 GGEDRN COc1cc([C@@H](C#N)NC(=O)COc2c(C)cc(C)cc2C)cc(OC)c1OC ZINC000067701562 1409208844 /nfs/dbraw/zinc/20/88/44/1409208844.db2.gz UXGKZPXFRXNCBJ-QGZVFWFLSA-N 0 0 398.459 3.398 20 30 GGEDRN COc1ccc(CCCC(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000067702720 1409209145 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383.379 3.327 20 30 GGEDRN COc1cc([C@H](C#N)NC(=O)c2cccc3c2ccn3C)cc(OC)c1OC ZINC000067702959 1409209676 /nfs/dbraw/zinc/20/96/76/1409209676.db2.gz SEFJXIXQZGQKMF-INIZCTEOSA-N 0 0 379.416 3.199 20 30 GGEDRN CCc1nc(C)c(C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)s1 ZINC000067702741 1409209776 /nfs/dbraw/zinc/20/97/76/1409209776.db2.gz XYKLRXVZJXQNMR-LBPRGKRZSA-N 0 0 375.450 3.034 20 30 GGEDRN COc1cc([C@H](C#N)NC(=O)c2csc(C(C)C)n2)cc(OC)c1OC ZINC000067702927 1409209791 /nfs/dbraw/zinc/20/97/91/1409209791.db2.gz VXISRLVYHNWLQD-LBPRGKRZSA-N 0 0 375.450 3.287 20 30 GGEDRN COc1cc([C@@H](C#N)NC(=O)c2csc(C(C)C)n2)cc(OC)c1OC ZINC000067702931 1409209848 /nfs/dbraw/zinc/20/98/48/1409209848.db2.gz VXISRLVYHNWLQD-GFCCVEGCSA-N 0 0 375.450 3.287 20 30 GGEDRN COc1cc([C@H](C#N)NC(=O)c2csc(C(C)(C)C)n2)cc(OC)c1OC ZINC000067702922 1409209866 /nfs/dbraw/zinc/20/98/66/1409209866.db2.gz YUAHDRDWYHZQFI-LBPRGKRZSA-N 0 0 389.477 3.461 20 30 GGEDRN Cc1csc([C@](O)(CC(=O)N(C)Cc2cccc(C#N)c2)C(F)(F)F)n1 ZINC000067708873 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KBALURZSPIKRGE-QGZVFWFLSA-N 0 0 384.480 3.111 20 30 GGEDRN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000068531205 1409428256 /nfs/dbraw/zinc/42/82/56/1409428256.db2.gz UHGIYFJZJAHHMP-MAUKXSAKSA-N 0 0 392.434 3.122 20 30 GGEDRN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000068531212 1409428266 /nfs/dbraw/zinc/42/82/66/1409428266.db2.gz UHGIYFJZJAHHMP-QAPCUYQASA-N 0 0 392.434 3.122 20 30 GGEDRN Cc1nn(C)c2sc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)cc12 ZINC000068531281 1409428273 /nfs/dbraw/zinc/42/82/73/1409428273.db2.gz YFTMXUXIKVHQCL-CQSZACIVSA-N 0 0 397.479 3.353 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(N4CCCC4)nc3)C2)c(F)c1 ZINC000068531464 1409428276 /nfs/dbraw/zinc/42/82/76/1409428276.db2.gz CBWLVTALNFUFJT-SFHVURJKSA-N 0 0 393.466 3.091 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)CSCc3ccncc3)C2)c(F)c1 ZINC000068531048 1409428306 /nfs/dbraw/zinc/42/83/06/1409428306.db2.gz XMBJYPWVITXBLW-QGZVFWFLSA-N 0 0 384.480 3.111 20 30 GGEDRN C[C@H](OCc1ccccc1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000068530831 1409428311 /nfs/dbraw/zinc/42/83/11/1409428311.db2.gz RITHQJCYUAFEMP-LPHOPBHVSA-N 0 0 381.451 3.388 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)CSCc3ccncc3)C2)c(F)c1 ZINC000068531046 1409428319 /nfs/dbraw/zinc/42/83/19/1409428319.db2.gz XMBJYPWVITXBLW-KRWDZBQOSA-N 0 0 384.480 3.111 20 30 GGEDRN COc1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000068531649 1409428821 /nfs/dbraw/zinc/42/88/21/1409428821.db2.gz JCSOONDTLRCPHJ-INIZCTEOSA-N 0 0 383.423 3.113 20 30 GGEDRN CCC(=O)Nc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000068531792 1409428836 /nfs/dbraw/zinc/42/88/36/1409428836.db2.gz GSCOKOUMQHROIQ-GOSISDBHSA-N 0 0 394.450 3.445 20 30 GGEDRN Cc1sc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1[N+](=O)[O-] ZINC000068531873 1409428845 /nfs/dbraw/zinc/42/88/45/1409428845.db2.gz IPQULNPGJXMRRG-CYBMUJFWSA-N 0 0 388.424 3.374 20 30 GGEDRN Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cccc1[N+](=O)[O-] ZINC000068531668 1409428855 /nfs/dbraw/zinc/42/88/55/1409428855.db2.gz AHEQSACDUOLWHB-OAHLLOKOSA-N 0 0 382.395 3.313 20 30 GGEDRN COc1cc(OC)cc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000068531979 1409428879 /nfs/dbraw/zinc/42/88/79/1409428879.db2.gz QSQACUAPJQKWKA-INIZCTEOSA-N 0 0 383.423 3.113 20 30 GGEDRN CCC(=O)Nc1cccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000068531794 1409428945 /nfs/dbraw/zinc/42/89/45/1409428945.db2.gz GSCOKOUMQHROIQ-SFHVURJKSA-N 0 0 394.450 3.445 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)CSCc3ccccn3)C2)c(F)c1 ZINC000068532082 1409428997 /nfs/dbraw/zinc/42/89/97/1409428997.db2.gz HGQOHCZFMHKDBY-MRXNPFEDSA-N 0 0 384.480 3.111 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)COCCc3ccccc3)C2)c(F)c1 ZINC000068531746 1409429040 /nfs/dbraw/zinc/42/90/40/1409429040.db2.gz BSVWETXZRLBEFB-LJQANCHMSA-N 0 0 381.451 3.042 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)CCOc3ccccc3F)C2)c(F)c1 ZINC000068532256 1409429376 /nfs/dbraw/zinc/42/93/76/1409429376.db2.gz BHANBUTZCRLYRB-INIZCTEOSA-N 0 0 385.414 3.391 20 30 GGEDRN CCOc1ccc(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000068532468 1409429381 /nfs/dbraw/zinc/42/93/81/1409429381.db2.gz OSQAYVQJSLURFX-SFHVURJKSA-N 0 0 381.451 3.424 20 30 GGEDRN COc1ccccc1CCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000068532472 1409429426 /nfs/dbraw/zinc/42/94/26/1409429426.db2.gz NRXXEJZZKGTECE-SFHVURJKSA-N 0 0 381.451 3.424 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)COc3ccc(F)cc3F)C2)c(F)c1 ZINC000068532667 1409429447 /nfs/dbraw/zinc/42/94/47/1409429447.db2.gz JCPHPXJEVBVLGN-HNNXBMFYSA-N 0 0 389.377 3.140 20 30 GGEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCOC[C@H]2CCOC2)cc1 ZINC000068534573 1409430511 /nfs/dbraw/zinc/43/05/11/1409430511.db2.gz RMWMDJCRRDKUFX-HNNXBMFYSA-N 0 0 384.407 3.273 20 30 GGEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCOC[C@@H]2CCOC2)cc1 ZINC000068534570 1409430584 /nfs/dbraw/zinc/43/05/84/1409430584.db2.gz RMWMDJCRRDKUFX-OAHLLOKOSA-N 0 0 384.407 3.273 20 30 GGEDRN C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000068583708 1409445506 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GGEDRN C=CCNC(=O)c1ccc(NC(=O)c2nnn(-c3ccccc3Cl)c2C)cc1 ZINC000103383423 1410852221 /nfs/dbraw/zinc/85/22/21/1410852221.db2.gz KCXJXJPGNLQQJZ-UHFFFAOYSA-N 0 0 395.850 3.397 20 30 GGEDRN CN(C(=O)c1cc(S(C)(=O)=O)ccc1Br)c1cccc(C#N)c1 ZINC000103386339 1410852460 /nfs/dbraw/zinc/85/24/60/1410852460.db2.gz HLIJMRRESJBPSZ-UHFFFAOYSA-N 0 0 393.262 3.001 20 30 GGEDRN COc1ccc([C@@H](C#N)N2CCN(C(=O)CCc3ccccc3C)CC2)cc1 ZINC000103428690 1410855895 /nfs/dbraw/zinc/85/58/95/1410855895.db2.gz MONSHCFRAAQWBT-JOCHJYFZSA-N 0 0 377.488 3.345 20 30 GGEDRN N#CCCN(Cc1ccccn1)C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000103438865 1410856640 /nfs/dbraw/zinc/85/66/40/1410856640.db2.gz UJPKVLQSPMRBBM-GOSISDBHSA-N 0 0 382.851 3.030 20 30 GGEDRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N(CCC#N)CC2CC2)ccc1Cl ZINC000103438660 1410856684 /nfs/dbraw/zinc/85/66/84/1410856684.db2.gz BPSIKKPGFYOINY-UHFFFAOYSA-N 0 0 397.928 3.183 20 30 GGEDRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(CCC#N)Cc1ccccn1 ZINC000103439344 1410856687 /nfs/dbraw/zinc/85/66/87/1410856687.db2.gz SCQGFVYNQLHVNL-UHFFFAOYSA-N 0 0 387.443 3.009 20 30 GGEDRN N#CCCN(Cc1ccccn1)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000103438811 1410856713 /nfs/dbraw/zinc/85/67/13/1410856713.db2.gz SZUVLLPLUGMEDB-UHFFFAOYSA-N 0 0 390.487 3.444 20 30 GGEDRN CC(C)Cn1nc(C(=O)N(CCC#N)Cc2ccccn2)c2ccccc2c1=O ZINC000103439861 1410856740 /nfs/dbraw/zinc/85/67/40/1410856740.db2.gz UTNMZKWFETUTKQ-UHFFFAOYSA-N 0 0 389.459 3.004 20 30 GGEDRN C[C@H]1CCc2c(sc3nc(CCC(=O)N(CCC#N)CC4CC4)[nH]c(=O)c32)C1 ZINC000103438242 1410856758 /nfs/dbraw/zinc/85/67/58/1410856758.db2.gz VHGAGERPSRNBID-ZDUSSCGKSA-N 0 0 398.532 3.194 20 30 GGEDRN C[C@H](CC#N)N(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000103442635 1410856955 /nfs/dbraw/zinc/85/69/55/1410856955.db2.gz XHSRVFODHBVDAX-CYBMUJFWSA-N 0 0 375.425 3.001 20 30 GGEDRN CC(C)CCN(CCC#N)C(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 ZINC000103440078 1410856983 /nfs/dbraw/zinc/85/69/83/1410856983.db2.gz OZNNVSUYFQDOLQ-SFHVURJKSA-N 0 0 395.507 3.203 20 30 GGEDRN C[C@H](CC#N)N(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000103443249 1410856992 /nfs/dbraw/zinc/85/69/92/1410856992.db2.gz ZSXIXVXEUXWULD-CYBMUJFWSA-N 0 0 375.425 3.001 20 30 GGEDRN C[C@@H](CC#N)N(C)C(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC000103443255 1410857014 /nfs/dbraw/zinc/85/70/14/1410857014.db2.gz KTKWFJNUYCRNNE-INIZCTEOSA-N 0 0 397.500 3.202 20 30 GGEDRN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)CC#N)cc2)c1C ZINC000103443213 1410857083 /nfs/dbraw/zinc/85/70/83/1410857083.db2.gz FCTANHCURIPEFG-OAHLLOKOSA-N 0 0 385.489 3.478 20 30 GGEDRN C[C@@H](CC#N)N(C)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000103443464 1410857345 /nfs/dbraw/zinc/85/73/45/1410857345.db2.gz WGNBOSFMFJGTAS-HNNXBMFYSA-N 0 0 392.488 3.182 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)Cn1ncn(-c2ccc(OC)nc2)c1=S ZINC000103458109 1410859395 /nfs/dbraw/zinc/85/93/95/1410859395.db2.gz RXXSHVTXXHIVKK-UHFFFAOYSA-N 0 0 392.488 3.324 20 30 GGEDRN CC(C)n1c(N(C)C)nn(CN2CCCN(c3ccccc3C#N)CC2)c1=S ZINC000103458387 1410859420 /nfs/dbraw/zinc/85/94/20/1410859420.db2.gz WQAZYUWQKFTGIO-UHFFFAOYSA-N 0 0 399.568 3.102 20 30 GGEDRN CCCn1c2nn(CN(CCC#N)CC3CC3)c(=S)n2c2ccccc2c1=O ZINC000103459729 1410859452 /nfs/dbraw/zinc/85/94/52/1410859452.db2.gz KJLPLAWBSPJERO-UHFFFAOYSA-N 0 0 396.520 3.173 20 30 GGEDRN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CN(CCC#N)CC2CC2)C1=O ZINC000103459809 1410859917 /nfs/dbraw/zinc/85/99/17/1410859917.db2.gz UXINZQIGEIDZIG-QFIPXVFZSA-N 0 0 376.460 3.190 20 30 GGEDRN COCCc1noc(CNc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)n1 ZINC000103464247 1410860589 /nfs/dbraw/zinc/86/05/89/1410860589.db2.gz KOANKAANSGALMU-UHFFFAOYSA-N 0 0 391.427 3.057 20 30 GGEDRN Cc1noc([C@@H]2CCCN(CC(=O)/C=C3/N(C)c4ccccc4C3(C)C)C2)n1 ZINC000103469413 1410860832 /nfs/dbraw/zinc/86/08/32/1410860832.db2.gz HDOVGHUIDZIDOE-DDLUMYACSA-N 0 0 380.492 3.438 20 30 GGEDRN Cc1noc([C@H]2CCCN(CC(=O)/C=C3/N(C)c4ccccc4C3(C)C)C2)n1 ZINC000103469414 1410860931 /nfs/dbraw/zinc/86/09/31/1410860931.db2.gz HDOVGHUIDZIDOE-DORSJAEJSA-N 0 0 380.492 3.438 20 30 GGEDRN C=CCN(CC(=O)OCC)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000103470576 1410861351 /nfs/dbraw/zinc/86/13/51/1410861351.db2.gz ACYQZMMMURSBIV-UHFFFAOYSA-N 0 0 383.473 3.203 20 30 GGEDRN COCCc1noc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1 ZINC000103469541 1410861380 /nfs/dbraw/zinc/86/13/80/1410861380.db2.gz GGZUFAINLWZJEB-UHFFFAOYSA-N 0 0 380.423 3.472 20 30 GGEDRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N(C)[C@H](C)CC#N ZINC000103496544 1410863768 /nfs/dbraw/zinc/86/37/68/1410863768.db2.gz NMVGEHMNAMMFGD-MRVPVSSYSA-N 0 0 381.679 3.034 20 30 GGEDRN C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)NCc2cccc(C#N)c2)CC1 ZINC000103602731 1410868376 /nfs/dbraw/zinc/86/83/76/1410868376.db2.gz VQWOJYXVCSKVDG-HNNXBMFYSA-N 0 0 384.430 3.425 20 30 GGEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)CC(F)F ZINC000103627249 1410869761 /nfs/dbraw/zinc/86/97/61/1410869761.db2.gz HAAWFPDDMFYTFO-UHFFFAOYSA-N 0 0 387.386 3.108 20 30 GGEDRN C#Cc1cccc(NC(=O)C(=O)NC[C@@H](C)CSc2ccccc2OC)c1 ZINC000103634086 1410870492 /nfs/dbraw/zinc/87/04/92/1410870492.db2.gz DPLPHYSYVOMFME-OAHLLOKOSA-N 0 0 382.485 3.160 20 30 GGEDRN CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ccccc2C)cc1 ZINC000103639170 1410870501 /nfs/dbraw/zinc/87/05/01/1410870501.db2.gz OGMZPDABZHWGPG-IBGZPJMESA-N 0 0 378.428 3.452 20 30 GGEDRN CCC(=O)N1CCC[C@H](C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000103638917 1410870519 /nfs/dbraw/zinc/87/05/19/1410870519.db2.gz FIHLQCGYCRMSBT-AAEUAGOBSA-N 0 0 396.274 3.289 20 30 GGEDRN Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)nnn1-c1ccccc1Cl ZINC000103638437 1410870524 /nfs/dbraw/zinc/87/05/24/1410870524.db2.gz AOBDUQMHMXWWJX-OAHLLOKOSA-N 0 0 393.834 3.499 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)c2ccc(C(=O)N(CC)CC)cc2)cc1 ZINC000103766973 1410874072 /nfs/dbraw/zinc/87/40/72/1410874072.db2.gz QOBZLPJHBWRGOI-UHFFFAOYSA-N 0 0 379.460 3.337 20 30 GGEDRN C#CCCOC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F ZINC000103801594 1410875620 /nfs/dbraw/zinc/87/56/20/1410875620.db2.gz WNSNOCAYAJVSKE-CQSZACIVSA-N 0 0 387.432 3.146 20 30 GGEDRN CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(c2)nnn3C)cc1 ZINC000103799235 1410875697 /nfs/dbraw/zinc/87/56/97/1410875697.db2.gz WJCWTLHYJIOPBJ-DYVFJYSZSA-N 0 0 375.432 3.443 20 30 GGEDRN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000103798887 1410875710 /nfs/dbraw/zinc/87/57/10/1410875710.db2.gz KNRIIBDSDKQFIS-OAHLLOKOSA-N 0 0 392.390 3.371 20 30 GGEDRN COCCCn1cnnc1SCC(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000103847920 1410877256 /nfs/dbraw/zinc/87/72/56/1410877256.db2.gz AZRLIZNDNKDFGG-LDADJPATSA-N 0 0 386.521 3.287 20 30 GGEDRN N#Cc1cccc(OC2CCN(C(=O)NCCc3cn4ccccc4n3)CC2)c1 ZINC000103852209 1410877348 /nfs/dbraw/zinc/87/73/48/1410877348.db2.gz LOTBESUUKNAWPX-UHFFFAOYSA-N 0 0 389.459 3.001 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1ccc(C#N)cn1 ZINC000103929591 1410878684 /nfs/dbraw/zinc/87/86/84/1410878684.db2.gz YOEFGYZYFBDEAG-HNNXBMFYSA-N 0 0 398.488 3.077 20 30 GGEDRN N#Cc1ccc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)nc1 ZINC000103928587 1410878727 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3.423 20 30 GGEDRN C#CCN1CCN(C(=O)c2ccsc2NC(=O)c2ccccc2Cl)CC1 ZINC000112920777 1412240705 /nfs/dbraw/zinc/24/07/05/1412240705.db2.gz QFOKDHFNKHODAS-UHFFFAOYSA-N 0 0 387.892 3.045 20 30 GGEDRN C#CCN1CCN(C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)CC1 ZINC000112920049 1412240889 /nfs/dbraw/zinc/24/08/89/1412240889.db2.gz PPCMSEWOFXPSBD-UHFFFAOYSA-N 0 0 378.259 3.348 20 30 GGEDRN C#CCN1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000112921159 1412241007 /nfs/dbraw/zinc/24/10/07/1412241007.db2.gz LNHLMGJDUWARHN-UHFFFAOYSA-N 0 0 375.497 3.242 20 30 GGEDRN C#CCN1CCN(C(=O)c2sc(COc3ccc(Cl)cc3)nc2C)CC1 ZINC000112920727 1412241460 /nfs/dbraw/zinc/24/14/60/1412241460.db2.gz PECDCDZLMVWPGH-UHFFFAOYSA-N 0 0 389.908 3.075 20 30 GGEDRN C#CCN1CCN(C(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)CC1 ZINC000112920406 1412241601 /nfs/dbraw/zinc/24/16/01/1412241601.db2.gz ZCSXBXQWEDDHGA-UHFFFAOYSA-N 0 0 393.516 3.132 20 30 GGEDRN C#CCN1CCN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)CC1 ZINC000112920380 1412241737 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1412263452 /nfs/dbraw/zinc/26/34/52/1412263452.db2.gz KQKBZPVZGDZSNP-UHFFFAOYSA-N 0 0 380.473 3.118 20 30 GGEDRN COc1ccc(C)cc1-n1ccc(C(=O)NCc2cccc(OCC#N)c2)n1 ZINC000113106250 1412263625 /nfs/dbraw/zinc/26/36/25/1412263625.db2.gz UAXZEYASPOMZRN-UHFFFAOYSA-N 0 0 376.416 3.022 20 30 GGEDRN CCc1noc2ncc(C(=O)NCc3ccc(OC)c(O[C@H](C#N)CC)c3)cc12 ZINC000113111684 1412263852 /nfs/dbraw/zinc/26/38/52/1412263852.db2.gz CWVUTSMRJUKBFS-HNNXBMFYSA-N 0 0 394.431 3.405 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2ccn(-c3ccccc3)n2)ccc1OC ZINC000113111453 1412263976 /nfs/dbraw/zinc/26/39/76/1412263976.db2.gz TZWQGNDBHUYZDB-GOSISDBHSA-N 0 0 390.443 3.492 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2cnc3onc(C)c3c2)ccc1OC ZINC000113111104 1412264180 /nfs/dbraw/zinc/26/41/80/1412264180.db2.gz KNAQNFKEJYAWBY-OAHLLOKOSA-N 0 0 380.404 3.151 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2cn(C)nc2C(F)(F)F)ccc1OC ZINC000113110900 1412264188 /nfs/dbraw/zinc/26/41/88/1412264188.db2.gz IKJJMNFZNULHNC-LBPRGKRZSA-N 0 0 396.369 3.058 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000113114398 1412264483 /nfs/dbraw/zinc/26/44/83/1412264483.db2.gz BDXURBICGFPPIQ-QGZVFWFLSA-N 0 0 383.404 3.143 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)CCc2nc(C(C)C)no2)ccc1OC ZINC000113112362 1412264556 /nfs/dbraw/zinc/26/45/56/1412264556.db2.gz HNKXSVMOMRKXBT-OAHLLOKOSA-N 0 0 386.452 3.132 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(=O)c3ccccc3o2)ccc1OC ZINC000113113005 1412264581 /nfs/dbraw/zinc/26/45/81/1412264581.db2.gz IKKMULWIGFWBOZ-HNNXBMFYSA-N 0 0 392.411 3.413 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(C(C)(C)C)nn2C)ccc1OC ZINC000113112806 1412264694 /nfs/dbraw/zinc/26/46/94/1412264694.db2.gz ZJCDCCDRPTVRJX-OAHLLOKOSA-N 0 0 384.480 3.337 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)ccc1OC ZINC000113113661 1412264790 /nfs/dbraw/zinc/26/47/90/1412264790.db2.gz CRCZPZMFVFPZSY-CQSZACIVSA-N 0 0 387.367 3.353 20 30 GGEDRN COc1ccc([C@@H](C#N)N2CCN(C(=O)c3coc4ccccc43)CC2)cc1 ZINC000113143469 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395.868 3.004 20 30 GGEDRN COc1ccc(C(=O)NCCCC(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1 ZINC000113178514 1412271192 /nfs/dbraw/zinc/27/11/92/1412271192.db2.gz XZROPDVZBCQBLX-GOSISDBHSA-N 0 0 385.851 3.240 20 30 GGEDRN COc1ccc(C(=O)NCCCC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1 ZINC000113178512 1412271339 /nfs/dbraw/zinc/27/13/39/1412271339.db2.gz XZROPDVZBCQBLX-SFHVURJKSA-N 0 0 385.851 3.240 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(N3CCCC3)nc2)ccc1OC ZINC000113211499 1412276386 /nfs/dbraw/zinc/27/63/86/1412276386.db2.gz YXGOYJSRXQUOEL-GOSISDBHSA-N 0 0 394.475 3.301 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc3ccccc3c(=O)[nH]2)ccc1OC ZINC000113211650 1412276440 /nfs/dbraw/zinc/27/64/40/1412276440.db2.gz OGWZRHNFMAGQKS-INIZCTEOSA-N 0 0 391.427 3.148 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)CN(C)Cc2ccccc2)ccc1OC ZINC000113211702 1412276562 /nfs/dbraw/zinc/27/65/62/1412276562.db2.gz WWNJLTFAJNETAV-LJQANCHMSA-N 0 0 381.476 3.124 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2cnc3ccccc3c2O)ccc1OC ZINC000113211623 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GGEDRN CC[C@H](C#N)Oc1cc(CNS(=O)(=O)c2c(F)cccc2F)ccc1OC ZINC000113304049 1412290267 /nfs/dbraw/zinc/29/02/67/1412290267.db2.gz QPCNAOGPAQCIEW-CYBMUJFWSA-N 0 0 396.415 3.133 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNS(=O)(=O)c2ccc(C)s2)ccc1OC ZINC000113304150 1412290373 /nfs/dbraw/zinc/29/03/73/1412290373.db2.gz CIYUTUIWHPRBFG-CQSZACIVSA-N 0 0 380.491 3.225 20 30 GGEDRN C=CCn1c(Cc2ccccc2)nn(CN2CC[C@@](C)(C(=O)OC)C2)c1=S ZINC000177222590 1428639111 /nfs/dbraw/zinc/63/91/11/1428639111.db2.gz ZNJHWNMEGFZCEF-HXUWFJFHSA-N 0 0 386.521 3.033 20 30 GGEDRN N#CCCn1cc(CNCc2nncn2-c2ccccc2)c(-c2ccccc2)n1 ZINC000113321045 1412292387 /nfs/dbraw/zinc/29/23/87/1412292387.db2.gz YAYWVTLTIXVIAK-UHFFFAOYSA-N 0 0 383.459 3.334 20 30 GGEDRN C=CCc1cc(CNc2cc(-c3ccoc3C)nn2CCO)cc(OC)c1O ZINC000113334290 1412294177 /nfs/dbraw/zinc/29/41/77/1412294177.db2.gz ULNXIKAOZWBDAF-UHFFFAOYSA-N 0 0 383.448 3.499 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNCc2nccn2CC(F)(F)F)ccc1OC ZINC000113347723 1412296483 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Cc1nc2ccccc2n1CCCNC(=O)NCc1cccc(OCC#N)c1 ZINC000113377400 1412301131 /nfs/dbraw/zinc/30/11/31/1412301131.db2.gz AUWLGDTXJOWBDH-UHFFFAOYSA-N 0 0 377.448 3.137 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc2nnc(SCCCC(C)(C)C#N)n2c1 ZINC000177226298 1428640207 /nfs/dbraw/zinc/64/02/07/1428640207.db2.gz SQOADSOQXVONSP-UHFFFAOYSA-N 0 0 395.554 3.182 20 30 GGEDRN CCCCNC(=O)c1ccc(CNC(=O)NCc2cccc(OCC#N)c2)cc1 ZINC000113381111 1412301440 /nfs/dbraw/zinc/30/14/40/1412301440.db2.gz YIUPFLSVQAGCEB-UHFFFAOYSA-N 0 0 394.475 3.118 20 30 GGEDRN N#CCOc1cccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000113380702 1412301617 /nfs/dbraw/zinc/30/16/17/1412301617.db2.gz ZXMWKZHBZHMTHQ-UHFFFAOYSA-N 0 0 396.516 3.142 20 30 GGEDRN C[C@H](COc1ccc(F)cc1F)NC(=O)NCc1cccc(OCC#N)c1 ZINC000113382592 1412301888 /nfs/dbraw/zinc/30/18/88/1412301888.db2.gz IXPXGAHRIBSUCM-CYBMUJFWSA-N 0 0 375.375 3.134 20 30 GGEDRN C[C@@H](COc1ccc(F)cc1F)NC(=O)NCc1cccc(OCC#N)c1 ZINC000113382590 1412301926 /nfs/dbraw/zinc/30/19/26/1412301926.db2.gz IXPXGAHRIBSUCM-ZDUSSCGKSA-N 0 0 375.375 3.134 20 30 GGEDRN N#CCOc1cccc(CNC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000113382789 1412302068 /nfs/dbraw/zinc/30/20/68/1412302068.db2.gz JZBNHJXCJKOOOA-QGZVFWFLSA-N 0 0 382.439 3.054 20 30 GGEDRN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCc1cccc(OCC#N)c1 ZINC000113392229 1412302858 /nfs/dbraw/zinc/30/28/58/1412302858.db2.gz RINZNPZTLJIAIO-GOSISDBHSA-N 0 0 378.476 3.005 20 30 GGEDRN N#CCOc1cccc(CNC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000113409830 1412304095 /nfs/dbraw/zinc/30/40/95/1412304095.db2.gz IXIRFRMBHQFFNK-KRWDZBQOSA-N 0 0 393.365 3.141 20 30 GGEDRN NS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C#Cc3ccccc3)c2)c1 ZINC000113459961 1412306662 /nfs/dbraw/zinc/30/66/62/1412306662.db2.gz AZJAANKQFLIIMR-UHFFFAOYSA-N 0 0 394.427 3.125 20 30 GGEDRN N#CCOc1cccc(CNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000113535874 1412312928 /nfs/dbraw/zinc/31/29/28/1412312928.db2.gz XLHXCVSYDCEYRD-UHFFFAOYSA-N 0 0 378.432 3.147 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)Nc2cnc3c(c2)c(C)nn3C)cc1 ZINC000113542131 1412313382 /nfs/dbraw/zinc/31/33/82/1412313382.db2.gz RMVHOJBVVXUATM-UHFFFAOYSA-N 0 0 379.424 3.228 20 30 GGEDRN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCc1cccc(OCC#N)c1 ZINC000113541707 1412313484 /nfs/dbraw/zinc/31/34/84/1412313484.db2.gz BSQPPSVYROOCJJ-UHFFFAOYSA-N 0 0 378.432 3.111 20 30 GGEDRN Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cc1 ZINC000113547718 1412314353 /nfs/dbraw/zinc/31/43/53/1412314353.db2.gz MQQUYTHLIZMQJQ-RELWKKBWSA-N 0 0 386.477 3.452 20 30 GGEDRN CC(=O)N1CCCc2cc(NC(=O)NCc3cccc(OCC#N)c3)ccc21 ZINC000113559089 1412315955 /nfs/dbraw/zinc/31/59/55/1412315955.db2.gz GRLRIWMHEJZCBC-UHFFFAOYSA-N 0 0 378.432 3.210 20 30 GGEDRN N#Cc1cc(NC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)ccc1F ZINC000113565520 1412316532 /nfs/dbraw/zinc/31/65/32/1412316532.db2.gz CCFKXYLOLNRYHT-UHFFFAOYSA-N 0 0 382.395 3.436 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)NCCN(C)c2ccccc2)ccc1OC ZINC000113584848 1412318319 /nfs/dbraw/zinc/31/83/19/1412318319.db2.gz CJLXGDDGGZEHOD-LJQANCHMSA-N 0 0 396.491 3.312 20 30 GGEDRN C=C(Br)CNC(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1 ZINC000113605231 1412321162 /nfs/dbraw/zinc/32/11/62/1412321162.db2.gz HYQPURVXNBULKI-CYBMUJFWSA-N 0 0 382.258 3.084 20 30 GGEDRN N#CCOc1cccc(CNC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000113630212 1412323963 /nfs/dbraw/zinc/32/39/63/1412323963.db2.gz LEOUBBSBGCYYSG-NRFANRHFSA-N 0 0 379.460 3.480 20 30 GGEDRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)NCc1cccc(OCC#N)c1 ZINC000113630405 1412324362 /nfs/dbraw/zinc/32/43/62/1412324362.db2.gz ZEURVBDGEAMDJU-UHFFFAOYSA-N 0 0 394.475 3.022 20 30 GGEDRN C=CC1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)CC1 ZINC000113640841 1412326528 /nfs/dbraw/zinc/32/65/28/1412326528.db2.gz YTONRKZUIMWFKV-UHFFFAOYSA-N 0 0 386.839 3.285 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]2COc2ccccc2)ccc1Cl ZINC000113641219 1412326891 /nfs/dbraw/zinc/32/68/91/1412326891.db2.gz WIODXDHIDSQVJK-INIZCTEOSA-N 0 0 383.835 3.220 20 30 GGEDRN Cc1ccc(NC(=O)C(=O)NCc2cccc(OCC#N)c2)cc1C(F)(F)F ZINC000113648400 1412329196 /nfs/dbraw/zinc/32/91/96/1412329196.db2.gz HLQGXIHUPCCPFI-UHFFFAOYSA-N 0 0 391.349 3.171 20 30 GGEDRN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000113650812 1412330820 /nfs/dbraw/zinc/33/08/20/1412330820.db2.gz OUFROKLNUHCOAJ-SFHVURJKSA-N 0 0 399.454 3.477 20 30 GGEDRN N#C[C@@H](C(=O)[C@@H]1COc2ccccc21)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000113651214 1412330973 /nfs/dbraw/zinc/33/09/73/1412330973.db2.gz SJEBLUQLCFWORL-UONOGXRCSA-N 0 0 391.452 3.216 20 30 GGEDRN N#C[C@@H](C(=O)c1cccc(OCc2cccnc2)c1)c1nnc2n1CCCCC2 ZINC000113654234 1412331287 /nfs/dbraw/zinc/33/12/87/1412331287.db2.gz OVIFYLSVRCOEOF-IBGZPJMESA-N 0 0 387.443 3.469 20 30 GGEDRN N#C[C@H](C(=O)c1cccc(OCc2cccnc2)c1)c1nnc2n1CCCCC2 ZINC000113654233 1412331309 /nfs/dbraw/zinc/33/13/09/1412331309.db2.gz OVIFYLSVRCOEOF-LJQANCHMSA-N 0 0 387.443 3.469 20 30 GGEDRN C#CC[C@H](OC(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C)c1ccccn1 ZINC000113660823 1412331901 /nfs/dbraw/zinc/33/19/01/1412331901.db2.gz NAGACWVLNLUODZ-KRWDZBQOSA-N 0 0 398.369 3.494 20 30 GGEDRN C#CC[C@@H](OC(=O)CSc1nnc(-c2ccco2)n1CC)c1ccccn1 ZINC000113661286 1412332275 /nfs/dbraw/zinc/33/22/75/1412332275.db2.gz WLCWOXLGBMTKFE-OAHLLOKOSA-N 0 0 382.445 3.353 20 30 GGEDRN C#CC[C@H](OC(=O)c1ccc(S(=O)(=O)N[C@H](C)CC)cc1)c1ccccn1 ZINC000113662950 1412332279 /nfs/dbraw/zinc/33/22/79/1412332279.db2.gz YKHNQXQARJFCFM-BEFAXECRSA-N 0 0 386.473 3.080 20 30 GGEDRN C#CC[C@H](OC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccccn1 ZINC000113661986 1412332343 /nfs/dbraw/zinc/33/23/43/1412332343.db2.gz DSQWZRNYYLPNND-FPOVZHCZSA-N 0 0 376.456 3.171 20 30 GGEDRN C#CC[C@@H](OC(=O)c1ccc(S(=O)(=O)N[C@H](C)CC)cc1)c1ccccn1 ZINC000113662954 1412332382 /nfs/dbraw/zinc/33/23/82/1412332382.db2.gz YKHNQXQARJFCFM-DNVCBOLYSA-N 0 0 386.473 3.080 20 30 GGEDRN C#CC[C@H](OC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccn1 ZINC000113661688 1412332434 /nfs/dbraw/zinc/33/24/34/1412332434.db2.gz QSEJMAFTBQARMF-IBGZPJMESA-N 0 0 386.473 3.034 20 30 GGEDRN C[C@H](CC#N)OC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000113690115 1412333865 /nfs/dbraw/zinc/33/38/65/1412333865.db2.gz HWEWVPOQMFMHRE-OAHLLOKOSA-N 0 0 386.473 3.086 20 30 GGEDRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)O[C@H](C)CC#N)cc2)ccc1F ZINC000113692637 1412333999 /nfs/dbraw/zinc/33/39/99/1412333999.db2.gz NGPWLDXYXIXQRY-CYBMUJFWSA-N 0 0 376.409 3.394 20 30 GGEDRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)CC#N)CC2)cc1 ZINC000113688027 1412334063 /nfs/dbraw/zinc/33/40/63/1412334063.db2.gz XVNKGWAIIRNIIB-OAHLLOKOSA-N 0 0 378.494 3.056 20 30 GGEDRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)O[C@H](C)CC#N ZINC000113691416 1412334087 /nfs/dbraw/zinc/33/40/87/1412334087.db2.gz ORANYYNMKJNLLT-CYBMUJFWSA-N 0 0 376.409 3.394 20 30 GGEDRN COc1cc(I)c(Cl)cc1C(=O)O[C@@H](C)CC#N ZINC000113686846 1412334099 /nfs/dbraw/zinc/33/40/99/1412334099.db2.gz NNFSGSYCHKHASN-ZETCQYMHSA-N 0 0 379.581 3.412 20 30 GGEDRN C[C@@H](CC#N)OC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000113684936 1412334119 /nfs/dbraw/zinc/33/41/19/1412334119.db2.gz RKEKAYOBJCDTSJ-HNNXBMFYSA-N 0 0 392.521 3.230 20 30 GGEDRN CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)O[C@H](C)CC#N ZINC000113691000 1412334151 /nfs/dbraw/zinc/33/41/51/1412334151.db2.gz RAOPGXQOXVXANQ-IUODEOHRSA-N 0 0 396.285 3.262 20 30 GGEDRN C=CCc1cc(-c2nc(CC(=O)NCc3ccccc3)no2)cc(OC)c1OC ZINC000113701909 1412335409 /nfs/dbraw/zinc/33/54/09/1412335409.db2.gz APTPUMWQZFQHNQ-UHFFFAOYSA-N 0 0 393.443 3.341 20 30 GGEDRN Cc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1S(=O)(=O)NCC#N ZINC000113732479 1412338559 /nfs/dbraw/zinc/33/85/59/1412338559.db2.gz CAOKOQKFTDKPTA-UHFFFAOYSA-N 0 0 388.836 3.167 20 30 GGEDRN C=CCOc1ccc(/C=C/c2nc(CC(=O)NC3CCCC3)no2)cc1OC ZINC000113764600 1412341738 /nfs/dbraw/zinc/34/17/38/1412341738.db2.gz PSQJCPLYDMTNPG-PKNBQFBNSA-N 0 0 383.448 3.415 20 30 GGEDRN Cc1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(Cl)c1 ZINC000113781102 1412342786 /nfs/dbraw/zinc/34/27/86/1412342786.db2.gz FZEMNYGPDQSFID-QGZVFWFLSA-N 0 0 396.834 3.364 20 30 GGEDRN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)NCC#N)n2)o1 ZINC000113778901 1412342919 /nfs/dbraw/zinc/34/29/19/1412342919.db2.gz NVYMAFRBABCBBX-UHFFFAOYSA-N 0 0 380.351 3.272 20 30 GGEDRN Cc1cc(C)cc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 ZINC000113782193 1412342965 /nfs/dbraw/zinc/34/29/65/1412342965.db2.gz HIZIHETZNKOJBW-SFHVURJKSA-N 0 0 376.416 3.019 20 30 GGEDRN Cc1ccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000113779885 1412343005 /nfs/dbraw/zinc/34/30/05/1412343005.db2.gz NHQYHNRXHGBQLB-SFHVURJKSA-N 0 0 376.416 3.019 20 30 GGEDRN Cc1cccc(C)c1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000113783699 1412343238 /nfs/dbraw/zinc/34/32/38/1412343238.db2.gz BBQVDAKXVVUGGP-KRWDZBQOSA-N 0 0 376.416 3.019 20 30 GGEDRN Cc1cccc(C)c1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000113783697 1412343326 /nfs/dbraw/zinc/34/33/26/1412343326.db2.gz BBQVDAKXVVUGGP-QGZVFWFLSA-N 0 0 376.416 3.019 20 30 GGEDRN Cc1ccc(Cl)cc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000113783634 1412343403 /nfs/dbraw/zinc/34/34/03/1412343403.db2.gz VIJHLQHFYVJOKJ-INIZCTEOSA-N 0 0 396.834 3.364 20 30 GGEDRN N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC3CCCCCCC3)C2=O)cc1 ZINC000113802845 1412343662 /nfs/dbraw/zinc/34/36/62/1412343662.db2.gz SOVXLTKYRANLBZ-IBGZPJMESA-N 0 0 396.491 3.240 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000113853569 1412345280 /nfs/dbraw/zinc/34/52/80/1412345280.db2.gz RUUBNIQDTIMWEQ-PMACEKPBSA-N 0 0 391.471 3.032 20 30 GGEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)CCc2nc(-c3ccccn3)no2)c1 ZINC000113852417 1412345313 /nfs/dbraw/zinc/34/53/13/1412345313.db2.gz KLGFWPTWPYTYGA-MRXNPFEDSA-N 0 0 391.431 3.062 20 30 GGEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1 ZINC000113853039 1412345317 /nfs/dbraw/zinc/34/53/17/1412345317.db2.gz FVOXSTDEVRSGTA-QAPCUYQASA-N 0 0 381.407 3.249 20 30 GGEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1 ZINC000113853032 1412345476 /nfs/dbraw/zinc/34/54/76/1412345476.db2.gz FVOXSTDEVRSGTA-CRAIPNDOSA-N 0 0 381.407 3.249 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)C2=Cc3ccc(OC)cc3OC2)c1 ZINC000113853836 1412345741 /nfs/dbraw/zinc/34/57/41/1412345741.db2.gz IJDHOMRKMXRQKI-SFHVURJKSA-N 0 0 378.428 3.468 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2c(C)nn(C(F)F)c2C)c1 ZINC000113854059 1412345945 /nfs/dbraw/zinc/34/59/45/1412345945.db2.gz WOQUATKKRHYEEQ-HNNXBMFYSA-N 0 0 376.407 3.435 20 30 GGEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)Cc2c(C)nn(C(F)F)c2C)c1 ZINC000113854062 1412346048 /nfs/dbraw/zinc/34/60/48/1412346048.db2.gz WOQUATKKRHYEEQ-OAHLLOKOSA-N 0 0 376.407 3.435 20 30 GGEDRN COc1cc2[nH]c(CCCNC(=O)c3ccc(C#N)c(C)n3)cc2c(OC)c1 ZINC000177234817 1428644146 /nfs/dbraw/zinc/64/41/46/1428644146.db2.gz XLQHDBUWCLGNCL-UHFFFAOYSA-N 0 0 378.432 3.123 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1 ZINC000113918971 1412352340 /nfs/dbraw/zinc/35/23/40/1412352340.db2.gz HEZYGECLMABLEC-LBPRGKRZSA-N 0 0 379.338 3.005 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](C)NC(=O)CC2CCCCC2)c1 ZINC000113919302 1412352360 /nfs/dbraw/zinc/35/23/60/1412352360.db2.gz VPKPTIODYZLAAC-APWZRJJASA-N 0 0 385.508 3.459 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](C)NC(=O)CC2CCCCC2)c1 ZINC000113919305 1412352389 /nfs/dbraw/zinc/35/23/89/1412352389.db2.gz VPKPTIODYZLAAC-LPHOPBHVSA-N 0 0 385.508 3.459 20 30 GGEDRN CCCc1cc(=O)n2nc(NCc3cccc(O[C@H](C#N)CC)c3)sc2n1 ZINC000113925484 1412352909 /nfs/dbraw/zinc/35/29/09/1412352909.db2.gz ABROQURJVQTKAB-HNNXBMFYSA-N 0 0 383.477 3.397 20 30 GGEDRN CCOc1ccc2c(c1)CN(S(=O)(=O)c1cccc(Cl)c1C#N)CC2 ZINC000113944051 1412357197 /nfs/dbraw/zinc/35/71/97/1412357197.db2.gz FJEJDAANGOVXQV-UHFFFAOYSA-N 0 0 376.865 3.357 20 30 GGEDRN C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)Oc1ccccc1 ZINC000113945865 1412357861 /nfs/dbraw/zinc/35/78/61/1412357861.db2.gz QTQUDHITPKQAAR-GFCCVEGCSA-N 0 0 384.379 3.323 20 30 GGEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccnc(N3CCCC3)c2)c1 ZINC000113967261 1412360090 /nfs/dbraw/zinc/36/00/90/1412360090.db2.gz QQJRKYFFNXTYCT-LJQANCHMSA-N 0 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C[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2)no1 ZINC000121744211 1414243551 /nfs/dbraw/zinc/24/35/51/1414243551.db2.gz SVVQWAUOPDYHRM-GFCCVEGCSA-N 0 0 395.802 3.348 20 30 GGEDRN COc1ccccc1NC(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccoc2)n1 ZINC000121748625 1414244608 /nfs/dbraw/zinc/24/46/08/1414244608.db2.gz NQIDZTWWCRSWHU-CQSZACIVSA-N 0 0 381.413 3.302 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)Cc3noc4ccccc34)CC2)nc1 ZINC000121749669 1414245325 /nfs/dbraw/zinc/24/53/25/1414245325.db2.gz CFDXLSMPCMBOPO-UHFFFAOYSA-N 0 0 376.416 3.143 20 30 GGEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)Cc2ccccc2F)cc1OC ZINC000121751582 1414246288 /nfs/dbraw/zinc/24/62/88/1414246288.db2.gz VKXPQBVYJNHSLO-CZUORRHYSA-N 0 0 384.407 3.369 20 30 GGEDRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H](C#N)C(C)(C)C ZINC000121757295 1414248184 /nfs/dbraw/zinc/24/81/84/1414248184.db2.gz XHBAGLACTUIVEU-NSHDSACASA-N 0 0 395.706 3.328 20 30 GGEDRN C=CCn1c(-c2cccnc2)nn(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1=S ZINC000121766473 1414250336 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GGEDRN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)on2)cc1 ZINC000121843816 1414275986 /nfs/dbraw/zinc/27/59/86/1414275986.db2.gz JAMAXUOEFCPTQS-INIZCTEOSA-N 0 0 396.447 3.235 20 30 GGEDRN N#Cc1cc(F)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000121847781 1414277210 /nfs/dbraw/zinc/27/72/10/1414277210.db2.gz FOPLAXOJFLWQHS-LLVKDONJSA-N 0 0 375.762 3.481 20 30 GGEDRN CC(C)(C)OC(=O)N1CCN(C(=O)/C=C/c2ccc3ccccc3n2)[C@H](C#N)C1 ZINC000121850906 1414278508 /nfs/dbraw/zinc/27/85/08/1414278508.db2.gz CZOBMNSXJIYDLC-DOJUMQAQSA-N 0 0 392.459 3.219 20 30 GGEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)c2cccc(C)c2Br)c1 ZINC000121859943 1414281766 /nfs/dbraw/zinc/28/17/66/1414281766.db2.gz KKDYFHBUDOVAKS-UHFFFAOYSA-N 0 0 385.261 3.132 20 30 GGEDRN CCn1cc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cn1 ZINC000121871450 1414285639 /nfs/dbraw/zinc/28/56/39/1414285639.db2.gz YPNISQIWHCPFLY-UHFFFAOYSA-N 0 0 375.388 3.144 20 30 GGEDRN CCN(CCC#N)C(=O)CNc1ccc(CC(=O)Nc2ccccc2F)cc1 ZINC000121873434 1414286350 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Cc1ccc(CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c(OCC2CC2)c1 ZINC000122576758 1414505871 /nfs/dbraw/zinc/50/58/71/1414505871.db2.gz RVNACFCPBFYBLK-UHFFFAOYSA-N 0 0 393.487 3.210 20 30 GGEDRN CC(C)(C)c1ccc(C(=O)NCCC(=O)N(CCC#N)CC(F)(F)F)cc1 ZINC000177623374 1428814067 /nfs/dbraw/zinc/81/40/67/1428814067.db2.gz PTJQMLJYVUQGET-UHFFFAOYSA-N 0 0 383.414 3.409 20 30 GGEDRN C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@H](c2ccco2)C1 ZINC000122586651 1414508695 /nfs/dbraw/zinc/50/86/95/1414508695.db2.gz HMGCSBDUDWRLKV-WFASDCNBSA-N 0 0 375.406 3.221 20 30 GGEDRN N#Cc1c(NC(=O)C[C@H]2CCS(=O)(=O)C2)sc2c1-c1ccccc1CC2 ZINC000122613451 1414517118 /nfs/dbraw/zinc/51/71/18/1414517118.db2.gz WVUHQKJGATYJJY-GFCCVEGCSA-N 0 0 386.498 3.149 20 30 GGEDRN N#Cc1c(NC(=O)C[C@@H]2CCS(=O)(=O)C2)sc2c1-c1ccccc1CC2 ZINC000122613233 1414517176 /nfs/dbraw/zinc/51/71/76/1414517176.db2.gz WVUHQKJGATYJJY-LBPRGKRZSA-N 0 0 386.498 3.149 20 30 GGEDRN N#Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1Cl ZINC000122614895 1414517917 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N#Cc1ccc(S(=O)(=O)N(Cc2ccncc2)C2CC2)cc1C(F)(F)F ZINC000177627156 1428815513 /nfs/dbraw/zinc/81/55/13/1428815513.db2.gz XVTKHOBQJZXNPY-UHFFFAOYSA-N 0 0 381.379 3.325 20 30 GGEDRN CCn1c(S[C@@H](C(N)=O)c2ccc(C#N)cc2)nnc1-c1ccc(F)cc1 ZINC000122650246 1414528962 /nfs/dbraw/zinc/52/89/62/1414528962.db2.gz YWBJKJLKFXEIAM-MRXNPFEDSA-N 0 0 381.436 3.294 20 30 GGEDRN C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(NS(=O)(=O)CCCC)cc1 ZINC000122651353 1414529511 /nfs/dbraw/zinc/52/95/11/1414529511.db2.gz MNCJROLUDZMLBF-INIZCTEOSA-N 0 0 381.542 3.453 20 30 GGEDRN CC(=O)N(C)c1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC000122669207 1414533507 /nfs/dbraw/zinc/53/35/07/1414533507.db2.gz JLJROJQKNDCDQQ-UHFFFAOYSA-N 0 0 398.362 3.327 20 30 GGEDRN N#Cc1ccc(F)cc1CSc1nnc(N2CCOCC2)n1Cc1ccco1 ZINC000122668215 1414533795 /nfs/dbraw/zinc/53/37/95/1414533795.db2.gz LFEFRQBQBWYZDF-UHFFFAOYSA-N 0 0 399.451 3.059 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1C(F)(F)F ZINC000177629433 1428815969 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C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccccc1OC(C)(C)C ZINC000123989272 1414864102 /nfs/dbraw/zinc/86/41/02/1414864102.db2.gz XBNGKNOOQCGBRE-HNNXBMFYSA-N 0 0 394.479 3.268 20 30 GGEDRN CCN(CCC#N)C(=O)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000123992502 1414864484 /nfs/dbraw/zinc/86/44/84/1414864484.db2.gz PWFIZDOLRQBQSP-UHFFFAOYSA-N 0 0 375.350 3.472 20 30 GGEDRN CCc1cc(=O)oc2cc(OS(=O)(=O)c3c(F)cc(C#N)cc3F)ccc12 ZINC000123994238 1414865075 /nfs/dbraw/zinc/86/50/75/1414865075.db2.gz VXOLWXOZXBSVCE-UHFFFAOYSA-N 0 0 391.351 3.273 20 30 GGEDRN COc1ccc(CNc2ccc(-c3nncn3C)cn2)cc1OCCCC#N ZINC000124005290 1414867509 /nfs/dbraw/zinc/86/75/09/1414867509.db2.gz FECGMPQRFMZCRC-UHFFFAOYSA-N 0 0 378.436 3.180 20 30 GGEDRN C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C)c2)nnc1-c1cnccn1 ZINC000124007399 1414867850 /nfs/dbraw/zinc/86/78/50/1414867850.db2.gz AQSKQYZVDNGKNR-CQSZACIVSA-N 0 0 380.477 3.349 20 30 GGEDRN C=CCn1c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nnc1-c1cnccn1 ZINC000124010840 1414868409 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C=CCn1c(S[C@@H](C)c2nc(-c3nc[nH]n3)no2)nnc1-c1ccccc1C ZINC000124122376 1414889718 /nfs/dbraw/zinc/88/97/18/1414889718.db2.gz AEJOOBHNSYBZRF-LBPRGKRZSA-N 0 0 394.464 3.461 20 30 GGEDRN C=CCn1c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nnc1-c1ccccc1C ZINC000124125211 1414890140 /nfs/dbraw/zinc/89/01/40/1414890140.db2.gz SYEBCPCLWHWRBQ-CVEARBPZSA-N 0 0 386.521 3.215 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)c(F)c1 ZINC000124125723 1414890223 /nfs/dbraw/zinc/89/02/23/1414890223.db2.gz HFUWHINUZRDLQW-UHFFFAOYSA-N 0 0 392.427 3.206 20 30 GGEDRN C=CCn1c(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)nnc1-c1ccccc1C ZINC000124124922 1414890340 /nfs/dbraw/zinc/89/03/40/1414890340.db2.gz SYEBCPCLWHWRBQ-HOTGVXAUSA-N 0 0 386.521 3.215 20 30 GGEDRN C=CCn1c(SCC(=O)N[C@@H](C(C)=O)C(C)C)nnc1-c1ccccc1C ZINC000124129439 1414891263 /nfs/dbraw/zinc/89/12/63/1414891263.db2.gz YMLPLIQQKWULPG-GOSISDBHSA-N 0 0 386.521 3.261 20 30 GGEDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000124136304 1414893060 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Cc1nc(SCC(=O)NCCN2CCc3ccccc3C2)c(C#N)c(C)c1C ZINC000124213597 1414910085 /nfs/dbraw/zinc/91/00/85/1414910085.db2.gz XWJVBIAHKWXIIW-UHFFFAOYSA-N 0 0 394.544 3.145 20 30 GGEDRN C=CCn1c(SCCOC[C@@H]2CCCO2)nnc1-c1cccc(OC)c1 ZINC000124221047 1414911849 /nfs/dbraw/zinc/91/18/49/1414911849.db2.gz HWCAOLKKIMFMCL-KRWDZBQOSA-N 0 0 375.494 3.427 20 30 GGEDRN C=CCn1c(SCCOC[C@H]2CCCO2)nnc1-c1cccc(OC)c1 ZINC000124221309 1414912605 /nfs/dbraw/zinc/91/26/05/1414912605.db2.gz HWCAOLKKIMFMCL-QGZVFWFLSA-N 0 0 375.494 3.427 20 30 GGEDRN C=CCn1c(SCCn2ccc([N+](=O)[O-])n2)nnc1-c1cccc(OC)c1 ZINC000124227974 1414914175 /nfs/dbraw/zinc/91/41/75/1414914175.db2.gz LLBJWMRUYKOCGT-UHFFFAOYSA-N 0 0 386.437 3.037 20 30 GGEDRN C#CC[C@H](OC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)C(C)C ZINC000177741646 1428847751 /nfs/dbraw/zinc/84/77/51/1428847751.db2.gz LZKJMGLRCJBPMX-CVEARBPZSA-N 0 0 376.840 3.136 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc(OC(F)F)c1 ZINC000124256379 1414922176 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SAJJMUBWQXVMHN-UHFFFAOYSA-N 0 0 388.475 3.302 20 30 GGEDRN Cc1nc(CN2CCC(CNC(=O)c3ccc(C#N)c(Cl)c3)CC2)oc1C ZINC000127058852 1415650106 /nfs/dbraw/zinc/65/01/06/1415650106.db2.gz XHPVSFVOKQHWEB-UHFFFAOYSA-N 0 0 386.883 3.459 20 30 GGEDRN CN(CCc1ccccn1)C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000127063119 1415650743 /nfs/dbraw/zinc/65/07/43/1415650743.db2.gz YJUXTEWVBIHAPY-UHFFFAOYSA-N 0 0 383.451 3.121 20 30 GGEDRN C=CCOc1cc(OC)ccc1C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000127089713 1415658773 /nfs/dbraw/zinc/65/87/73/1415658773.db2.gz IGFVYIQRYVCQLO-UHFFFAOYSA-N 0 0 394.471 3.295 20 30 GGEDRN COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(-c3ccc(F)cc3)c2C)c1 ZINC000127104364 1415661575 /nfs/dbraw/zinc/66/15/75/1415661575.db2.gz ZDIBPXRRGHRDRV-SFHVURJKSA-N 0 0 392.390 3.290 20 30 GGEDRN COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Br)s2)c1 ZINC000127118462 1415664581 /nfs/dbraw/zinc/66/45/81/1415664581.db2.gz BCYLTDVZFXBCSX-NSHDSACASA-N 0 0 379.235 3.480 20 30 GGEDRN COc1cccc(NC(=O)[C@H](C#N)C(=O)CCc2nnc(-c3ccsc3)o2)c1 ZINC000127149048 1415672411 /nfs/dbraw/zinc/67/24/11/1415672411.db2.gz FPADAPDUJLXWIP-OAHLLOKOSA-N 0 0 396.428 3.087 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H](CCC(=O)OCC)C1 ZINC000127163065 1415675570 /nfs/dbraw/zinc/67/55/70/1415675570.db2.gz RWHUPZBLTMAKQV-OAHLLOKOSA-N 0 0 376.428 3.425 20 30 GGEDRN COc1cccc(NC(=O)[C@@H](C#N)C(=O)CCCc2nc(C(C)(C)C)no2)c1 ZINC000127183432 1415680378 /nfs/dbraw/zinc/68/03/78/1415680378.db2.gz OPFHYEZPKRZVNA-HNNXBMFYSA-N 0 0 384.436 3.046 20 30 GGEDRN COc1cccc(NC(=O)[C@H](C#N)C(=O)CCCc2nc(C(C)(C)C)no2)c1 ZINC000127183198 1415680544 /nfs/dbraw/zinc/68/05/44/1415680544.db2.gz OPFHYEZPKRZVNA-OAHLLOKOSA-N 0 0 384.436 3.046 20 30 GGEDRN N#Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)cc1Cl ZINC000127202073 1415685175 /nfs/dbraw/zinc/68/51/75/1415685175.db2.gz URCIRLQLYQVTIV-UHFFFAOYSA-N 0 0 384.791 3.389 20 30 GGEDRN C[C@@H](c1cn(-c2ccccc2)nn1)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000178061004 1428963264 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GGEDRN N#Cc1ccsc1C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000127294386 1415723264 /nfs/dbraw/zinc/72/32/64/1415723264.db2.gz DIWPMMHTMNRMAJ-UHFFFAOYSA-N 0 0 380.473 3.159 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NCC2([C@H](O)c3ccccc3)CC2)c1 ZINC000127295679 1415723698 /nfs/dbraw/zinc/72/36/98/1415723698.db2.gz DUGUBHUPPUJCHK-HXUWFJFHSA-N 0 0 394.471 3.210 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NCC2([C@@H](O)c3ccccc3)CC2)c1 ZINC000127295856 1415724272 /nfs/dbraw/zinc/72/42/72/1415724272.db2.gz DUGUBHUPPUJCHK-FQEVSTJZSA-N 0 0 394.471 3.210 20 30 GGEDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000127299082 1415725190 /nfs/dbraw/zinc/72/51/90/1415725190.db2.gz BJZGPOBLPXFVPC-BLLLJJGKSA-N 0 0 375.450 3.233 20 30 GGEDRN N#Cc1ccc(NC(=O)CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000127338413 1415743114 /nfs/dbraw/zinc/74/31/14/1415743114.db2.gz RAEPEAKYYRRHKO-SFHVURJKSA-N 0 0 387.386 3.172 20 30 GGEDRN N#Cc1ccc(NC(=O)CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000127338641 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/nfs/dbraw/zinc/77/88/57/1415778857.db2.gz XIWFXEONAZTGHO-UHFFFAOYSA-N 0 0 382.895 3.106 20 30 GGEDRN CCNC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)nc2ccccc21 ZINC000127460802 1415787216 /nfs/dbraw/zinc/78/72/16/1415787216.db2.gz ZAKFZXHSRFPXAL-AWEZNQCLSA-N 0 0 388.427 3.262 20 30 GGEDRN COc1ccc(-c2nc(C[S@@](=O)CC(=O)Nc3cccc(C#N)c3)co2)cc1 ZINC000127467652 1415791009 /nfs/dbraw/zinc/79/10/09/1415791009.db2.gz QWFNRGVPLWYWMR-NDEPHWFRSA-N 0 0 395.440 3.109 20 30 GGEDRN C=C(C)CN(CC)C(=O)C[S@](=O)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000127474419 1415792809 /nfs/dbraw/zinc/79/28/09/1415792809.db2.gz AUDSQWKLZJYXGR-SANMLTNESA-N 0 0 376.478 3.024 20 30 GGEDRN N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000178142096 1428996635 /nfs/dbraw/zinc/99/66/35/1428996635.db2.gz UASDGBVNSISIHU-OAHLLOKOSA-N 0 0 377.469 3.203 20 30 GGEDRN Cc1oc(NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(C#N)c1C ZINC000127483157 1415797233 /nfs/dbraw/zinc/79/72/33/1415797233.db2.gz GNGOTUXWMUZVPX-OCCSQVGLSA-N 0 0 390.484 3.036 20 30 GGEDRN N#CCSc1ccccc1NC(=O)COc1ccc(Br)nc1 ZINC000127482962 1415797491 /nfs/dbraw/zinc/79/74/91/1415797491.db2.gz ZTGBQBCTHJXPNG-UHFFFAOYSA-N 0 0 378.251 3.477 20 30 GGEDRN C=CCN(CC=C)C(=O)[C@@H](C)Oc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000178142937 1428997311 /nfs/dbraw/zinc/99/73/11/1428997311.db2.gz VAKHCTVGVMFXET-QGZVFWFLSA-N 0 0 385.485 3.487 20 30 GGEDRN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CSc1nc(N)c(C#N)cc1C#N ZINC000127489642 1415800034 /nfs/dbraw/zinc/80/00/34/1415800034.db2.gz FEKWICHUZKEISP-LBPRGKRZSA-N 0 0 391.456 3.465 20 30 GGEDRN Cc1cccc(NC(=O)[C@H](C#N)C(=O)COc2ccc(Br)cc2)c1 ZINC000127495809 1415801273 /nfs/dbraw/zinc/80/12/73/1415801273.db2.gz PDPFVILSJWQAFI-MRXNPFEDSA-N 0 0 387.233 3.484 20 30 GGEDRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2ccc(C#N)cc2F)c1 ZINC000127503066 1415801503 /nfs/dbraw/zinc/80/15/03/1415801503.db2.gz FSXOKOXNKGZVEP-SFHVURJKSA-N 0 0 384.407 3.457 20 30 GGEDRN CC[C@@](C)(C#N)NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000127502504 1415801608 /nfs/dbraw/zinc/80/16/08/1415801608.db2.gz PGFIBBWDUNWZEB-NRFANRHFSA-N 0 0 399.516 3.389 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)CC(=O)c1ccc(F)cc1 ZINC000127501069 1415801745 /nfs/dbraw/zinc/80/17/45/1415801745.db2.gz VRFPATIKPHXBHN-CQSZACIVSA-N 0 0 384.455 3.263 20 30 GGEDRN CC(C)CC1(CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1 ZINC000127510074 1415802814 /nfs/dbraw/zinc/80/28/14/1415802814.db2.gz IPWVWMONQPGIGD-UHFFFAOYSA-N 0 0 394.523 3.384 20 30 GGEDRN C=CCc1cc(CNC(=O)NC[C@@H](O)c2ccc(F)cc2)cc(OC)c1OC ZINC000127517406 1415804125 /nfs/dbraw/zinc/80/41/25/1415804125.db2.gz KRLVWMLYAIPJMF-GOSISDBHSA-N 0 0 388.439 3.104 20 30 GGEDRN C=CCCOCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000127528626 1415805178 /nfs/dbraw/zinc/80/51/78/1415805178.db2.gz POUPBUDYWPTEPV-UHFFFAOYSA-N 0 0 383.439 3.149 20 30 GGEDRN CC[C@](C)(C#N)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000127531331 1415805585 /nfs/dbraw/zinc/80/55/85/1415805585.db2.gz WYLMQGQBYZHYSK-GOSISDBHSA-N 0 0 393.415 3.188 20 30 GGEDRN CC[C@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000127546390 1415807749 /nfs/dbraw/zinc/80/77/49/1415807749.db2.gz GEIFEKOFBNWIRD-OAQYLSRUSA-N 0 0 399.516 3.049 20 30 GGEDRN N#Cc1ccc(OCc2nnc(C(=O)NCc3ccc(F)cc3)s2)c(F)c1 ZINC000127550694 1415808416 /nfs/dbraw/zinc/80/84/16/1415808416.db2.gz ZEMLSXBJBQDLOR-UHFFFAOYSA-N 0 0 386.383 3.197 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000127552001 1415808421 /nfs/dbraw/zinc/80/84/21/1415808421.db2.gz VQGKLMYGNGZRKU-AWEZNQCLSA-N 0 0 376.428 3.423 20 30 GGEDRN CCc1ccc([C@H]2COCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)o1 ZINC000127550925 1415808565 /nfs/dbraw/zinc/80/85/65/1415808565.db2.gz BPEVFRRMBQCYGQ-GOSISDBHSA-N 0 0 395.459 3.182 20 30 GGEDRN Cc1cccc(NC(=O)CN(C)C(=O)Nc2ccc(F)cc2OCC#N)c1C ZINC000178148290 1428999394 /nfs/dbraw/zinc/99/93/94/1428999394.db2.gz XPVCFUCVTRMXEP-UHFFFAOYSA-N 0 0 384.411 3.447 20 30 GGEDRN N#Cc1cc(NC(=O)[C@@H]2CCOc3ccccc32)ccc1N1CCC(O)CC1 ZINC000127560676 1415810349 /nfs/dbraw/zinc/81/03/49/1415810349.db2.gz ODEJCIXMZNZFLZ-LJQANCHMSA-N 0 0 377.444 3.024 20 30 GGEDRN Cc1coc(-c2ccc(C)c(NC(=O)C(=O)N(C)Cc3cccc(C#N)c3)c2)n1 ZINC000127566751 1415811171 /nfs/dbraw/zinc/81/11/71/1415811171.db2.gz GMZZWWKLNSVAEE-UHFFFAOYSA-N 0 0 388.427 3.427 20 30 GGEDRN Cc1ccc(CNC(=O)c2nnc(COc3ccc(C#N)cc3F)s2)cc1 ZINC000127565621 1415811184 /nfs/dbraw/zinc/81/11/84/1415811184.db2.gz XEBVWPHIPLUKKN-UHFFFAOYSA-N 0 0 382.420 3.366 20 30 GGEDRN CC[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 ZINC000127566237 1415811189 /nfs/dbraw/zinc/81/11/89/1415811189.db2.gz FORMEGPZEUMTKD-YWZLYKJASA-N 0 0 385.489 3.148 20 30 GGEDRN C[C@H](NC(=O)CON=C(N)c1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000178150437 1428999828 /nfs/dbraw/zinc/99/98/28/1428999828.db2.gz XQMWXRUNXGMRHU-LBPRGKRZSA-N 0 0 381.354 3.100 20 30 GGEDRN N#Cc1cc(NC(=O)C2(c3ccccc3F)CC2)ccc1N1CCC(O)CC1 ZINC000127569983 1415811495 /nfs/dbraw/zinc/81/14/95/1415811495.db2.gz PWZHFFNIOALYDK-UHFFFAOYSA-N 0 0 379.435 3.329 20 30 GGEDRN C=CCN(CC=C)C(=O)[C@@H](C)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000127571665 1415811636 /nfs/dbraw/zinc/81/16/36/1415811636.db2.gz IKSUEGXIWFMNQP-QAPCUYQASA-N 0 0 380.435 3.250 20 30 GGEDRN COc1ccccc1[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)c1ccco1 ZINC000127574279 1415812761 /nfs/dbraw/zinc/81/27/61/1415812761.db2.gz QEKOYNWRHUIFOU-LJQANCHMSA-N 0 0 386.404 3.367 20 30 GGEDRN N#Cc1ccc(NC(=O)N2CCC[C@@H](Cn3ccnn3)C2)cc1C(F)(F)F ZINC000127578739 1415813122 /nfs/dbraw/zinc/81/31/22/1415813122.db2.gz LDGOCXQOFSLXGS-GFCCVEGCSA-N 0 0 378.358 3.113 20 30 GGEDRN COc1ccc(C)nc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000127577195 1415813126 /nfs/dbraw/zinc/81/31/26/1415813126.db2.gz TYARXECATQHODA-UHFFFAOYSA-N 0 0 379.464 3.010 20 30 GGEDRN COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(C#N)cc2F)cc1OC ZINC000127580151 1415813332 /nfs/dbraw/zinc/81/33/32/1415813332.db2.gz HQUUEGLYWVRSHL-KRWDZBQOSA-N 0 0 384.407 3.457 20 30 GGEDRN Cc1cccc(NC(=O)[C@H](C#N)C(=O)CCCNC(=O)c2ccc(F)cc2F)c1 ZINC000127580481 1415813709 /nfs/dbraw/zinc/81/37/09/1415813709.db2.gz FGWMKAJRCAMTLR-QGZVFWFLSA-N 0 0 399.397 3.131 20 30 GGEDRN Cc1ccc(NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1OCC(F)F ZINC000127594463 1415815788 /nfs/dbraw/zinc/81/57/88/1415815788.db2.gz LXCBSQRIUASNOO-UHFFFAOYSA-N 0 0 377.322 3.227 20 30 GGEDRN C#CCOCCC(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000127598403 1415816396 /nfs/dbraw/zinc/81/63/96/1415816396.db2.gz XUVOMFNPHZHTOH-INIZCTEOSA-N 0 0 383.275 3.353 20 30 GGEDRN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1(C)C ZINC000127601930 1415817405 /nfs/dbraw/zinc/81/74/05/1415817405.db2.gz IFRKKBSBZKZXEG-ZWKOTPCHSA-N 0 0 392.521 3.040 20 30 GGEDRN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1(C)C ZINC000127602659 1415817500 /nfs/dbraw/zinc/81/75/00/1415817500.db2.gz IFRKKBSBZKZXEG-MSOLQXFVSA-N 0 0 392.521 3.040 20 30 GGEDRN N#C[C@H]1COCCN1Cn1nc(-c2ccncc2)n(C2CCCCC2)c1=S ZINC000178153702 1429001324 /nfs/dbraw/zinc/00/13/24/1429001324.db2.gz HCLMRRXTPFRFPF-KRWDZBQOSA-N 0 0 384.509 3.163 20 30 GGEDRN Cc1ccc(-c2nn(CN3CCOC[C@@H]3C#N)c(=S)n2Cc2ccco2)cc1 ZINC000178153836 1429001433 /nfs/dbraw/zinc/00/14/33/1429001433.db2.gz KERPRLZTBSJTGY-KRWDZBQOSA-N 0 0 395.488 3.213 20 30 GGEDRN C=CCn1c(=S)n(CN2CCOC3(CCCCC3)C2)nc1-c1cnccn1 ZINC000178155173 1429001827 /nfs/dbraw/zinc/00/18/27/1429001827.db2.gz LKHBPDNPVLVAIL-UHFFFAOYSA-N 0 0 386.525 3.050 20 30 GGEDRN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OCC(F)(F)F)nc2)c1 ZINC000127637903 1415824245 /nfs/dbraw/zinc/82/42/45/1415824245.db2.gz KJDFJPOPMUSSKC-AWEZNQCLSA-N 0 0 377.322 3.292 20 30 GGEDRN O=C(N[C@@H](C1CCCC1)C(F)(F)F)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000127635648 1415824493 /nfs/dbraw/zinc/82/44/93/1415824493.db2.gz SPCWBRPBXXVDQS-NSHDSACASA-N 0 0 393.347 3.335 20 30 GGEDRN CCOC(=O)C1=C(C(=O)CC)[C@H](c2c(Cl)cccc2Cl)NC(=S)N1 ZINC000127653488 1415826956 /nfs/dbraw/zinc/82/69/56/1415826956.db2.gz MUQZJFDJZLSLBS-ZDUSSCGKSA-N 0 0 387.288 3.309 20 30 GGEDRN C=C(Br)CNC1(C(=O)Nc2ccc(OC)c(OC)c2)CCCC1 ZINC000127659222 1415828071 /nfs/dbraw/zinc/82/80/71/1415828071.db2.gz KVHBEYFYFKTVPH-UHFFFAOYSA-N 0 0 383.286 3.453 20 30 GGEDRN CCOC(=O)C1=C(C(=O)C2CC2)[C@@H](c2c(Cl)cccc2Cl)NC(=S)N1 ZINC000127667980 1415829658 /nfs/dbraw/zinc/82/96/58/1415829658.db2.gz GLVDESBQDYPGPO-CYBMUJFWSA-N 0 0 399.299 3.309 20 30 GGEDRN CCOC(=O)C1=C(C(=O)C2CC2)[C@H](c2ccc(-c3ccccc3)o2)NC(=S)N1 ZINC000127674850 1415830931 /nfs/dbraw/zinc/83/09/31/1415830931.db2.gz UNILTRBGQUSYCW-KRWDZBQOSA-N 0 0 396.468 3.262 20 30 GGEDRN N#Cc1cccc(NC(=O)CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000127683281 1415832526 /nfs/dbraw/zinc/83/25/26/1415832526.db2.gz HTPCYEGJIQJTKM-SFHVURJKSA-N 0 0 387.386 3.172 20 30 GGEDRN C[C@]1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCCS1 ZINC000127689707 1415833690 /nfs/dbraw/zinc/83/36/90/1415833690.db2.gz IFHWSVVJTFIXED-HNAYVOBHSA-N 0 0 376.501 3.251 20 30 GGEDRN CCOC(=O)C1=C(C(=O)c2ccccc2C)[C@@H](c2ccsc2)NC(=S)N1 ZINC000127688452 1415833698 /nfs/dbraw/zinc/83/36/98/1415833698.db2.gz IXEOMPWMKFLJEA-OAHLLOKOSA-N 0 0 386.498 3.275 20 30 GGEDRN N#CCSc1ccccc1NC(=O)CN1CCN(Cc2cccc(F)c2)CC1 ZINC000178162006 1429003819 /nfs/dbraw/zinc/00/38/19/1429003819.db2.gz XGWRZDBBVHZPLL-UHFFFAOYSA-N 0 0 398.507 3.198 20 30 GGEDRN Cc1sc(NC(=O)CN2CCN(Cc3cccc(F)c3)CC2)c(C#N)c1C ZINC000178162436 1429003833 /nfs/dbraw/zinc/00/38/33/1429003833.db2.gz MSKBEVWOHVQQAL-UHFFFAOYSA-N 0 0 386.496 3.132 20 30 GGEDRN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1 ZINC000127692015 1415834313 /nfs/dbraw/zinc/83/43/13/1415834313.db2.gz HFFCRTZHOGUTMH-HOCLYGCPSA-N 0 0 395.846 3.349 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)Oc1ccc(Br)c(C=O)c1 ZINC000127694687 1415834844 /nfs/dbraw/zinc/83/48/44/1415834844.db2.gz RSTGAGXTCBMFIE-UHFFFAOYSA-N 0 0 384.182 3.040 20 30 GGEDRN Cc1cccc(NC(=O)[C@H](C#N)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000127706549 1415836644 /nfs/dbraw/zinc/83/66/44/1415836644.db2.gz OGDBDYLPDSVJGQ-GOSISDBHSA-N 0 0 380.404 3.443 20 30 GGEDRN C=CCn1c2ncn(CC(=O)N(C)[C@H](C)CC(C)C)c(=O)c2sc1=S ZINC000127716849 1415837990 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C#CCN(C(=O)C(=O)Nc1cc(Br)ccc1OCC)C1CCCC1 ZINC000128187035 1415934232 /nfs/dbraw/zinc/93/42/32/1415934232.db2.gz XSBKFRVBJVUQLW-UHFFFAOYSA-N 0 0 393.281 3.191 20 30 GGEDRN C#CCN1CCN(C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)CC1 ZINC000128189278 1415935356 /nfs/dbraw/zinc/93/53/56/1415935356.db2.gz QPDOIDHFRVSLRZ-UHFFFAOYSA-N 0 0 380.492 3.080 20 30 GGEDRN C#CCN(C(=O)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1)C1CCCC1 ZINC000128200709 1415937520 /nfs/dbraw/zinc/93/75/20/1415937520.db2.gz JMJZRRMLOZFMTO-UHFFFAOYSA-N 0 0 389.446 3.298 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)CNc1cc(Cl)ccc1N1CCC(CO)CC1 ZINC000128205622 1415938734 /nfs/dbraw/zinc/93/87/34/1415938734.db2.gz FYQBNABKCJUZTF-HXUWFJFHSA-N 0 0 392.931 3.015 20 30 GGEDRN C=CCN(CC=C)C(=O)CNc1cc(Cl)ccc1N1CCC(CO)CC1 ZINC000128204878 1415938827 /nfs/dbraw/zinc/93/88/27/1415938827.db2.gz VKUXIESFJBBAPY-UHFFFAOYSA-N 0 0 377.916 3.161 20 30 GGEDRN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000178217161 1429020767 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C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2=NN(CC(C)C)C(=O)CC2)cc1 ZINC000129528382 1416223601 /nfs/dbraw/zinc/22/36/01/1416223601.db2.gz UQFMXZUKCPAQHA-UHFFFAOYSA-N 0 0 396.491 3.074 20 30 GGEDRN O=C(NCCCF)C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC000129533886 1416224062 /nfs/dbraw/zinc/22/40/62/1416224062.db2.gz CGVWFDRMHHMVDK-UHFFFAOYSA-N 0 0 390.255 3.061 20 30 GGEDRN N#Cc1ccc(NC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)cc1Cl ZINC000129538318 1416224435 /nfs/dbraw/zinc/22/44/35/1416224435.db2.gz GHHWVGBWDIQOAM-OAHLLOKOSA-N 0 0 390.777 3.417 20 30 GGEDRN CC[C@H](C)[C@@H](C(=O)Nc1ccc(CC#N)cc1)N1C(=O)c2ccccc2C1=O ZINC000129540973 1416224788 /nfs/dbraw/zinc/22/47/88/1416224788.db2.gz AGXQPOTXCIPPDY-LIRRHRJNSA-N 0 0 375.428 3.402 20 30 GGEDRN C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(CN2CCOCC2)c1 ZINC000129545400 1416225316 /nfs/dbraw/zinc/22/53/16/1416225316.db2.gz JIKDWGVQJAMFPL-UHFFFAOYSA-N 0 0 382.460 3.345 20 30 GGEDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(CCC#N)Cc1ccccn1 ZINC000129566255 1416229294 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375.428 3.218 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000133837245 1416973822 /nfs/dbraw/zinc/97/38/22/1416973822.db2.gz AAHDWUARGVSCNH-UHFFFAOYSA-N 0 0 377.303 3.022 20 30 GGEDRN C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC000133838891 1416974811 /nfs/dbraw/zinc/97/48/11/1416974811.db2.gz DBFDNNMCKVAJFT-UZLBHIALSA-N 0 0 391.471 3.293 20 30 GGEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1ccnn1Cc1ccccc1)c1ccccc1 ZINC000133844892 1416976480 /nfs/dbraw/zinc/97/64/80/1416976480.db2.gz JWAOZVMLJCSJHA-LJQANCHMSA-N 0 0 387.443 3.031 20 30 GGEDRN C=CCSCCNC(=O)C(=O)Nc1cc(C(C)C)nn1-c1ccc(C)cc1 ZINC000133848268 1416977626 /nfs/dbraw/zinc/97/76/26/1416977626.db2.gz HBQOQUHYNNUXHB-UHFFFAOYSA-N 0 0 386.521 3.278 20 30 GGEDRN C=C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000133850178 1416977774 /nfs/dbraw/zinc/97/77/74/1416977774.db2.gz LXEMLJKRJYOXSA-IHRRRGAJSA-N 0 0 391.899 3.372 20 30 GGEDRN C=CCC(CC=C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 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COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)OCc1ccccc1 ZINC000134016649 1417010365 /nfs/dbraw/zinc/01/03/65/1417010365.db2.gz QQBSIDMJKFVFDV-UHFFFAOYSA-N 0 0 384.480 3.015 20 30 GGEDRN N#Cc1cc(F)c(C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)c(F)c1 ZINC000134019832 1417010646 /nfs/dbraw/zinc/01/06/46/1417010646.db2.gz YVGOVZVCVPAJDE-UHFFFAOYSA-N 0 0 392.365 3.414 20 30 GGEDRN COCCN(Cc1ccccc1C(C)(C)C#N)S(=O)(=O)c1ccc(C#N)cc1 ZINC000134052812 1417015204 /nfs/dbraw/zinc/01/52/04/1417015204.db2.gz CQUGPAYYHJESDS-UHFFFAOYSA-N 0 0 397.500 3.197 20 30 GGEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000134054905 1417015693 /nfs/dbraw/zinc/01/56/93/1417015693.db2.gz QNQKGESZASEXLX-UHFFFAOYSA-N 0 0 390.443 3.198 20 30 GGEDRN COc1ccccc1[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)c1ccco1 ZINC000134074203 1417018338 /nfs/dbraw/zinc/01/83/38/1417018338.db2.gz UJXIDJGCWRHMKM-JOCHJYFZSA-N 0 0 375.380 3.274 20 30 GGEDRN CC(=O)N(CCc1ccccc1)CC(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000134074377 1417018425 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20 30 GGEDRN C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1 ZINC000134149145 1417029809 /nfs/dbraw/zinc/02/98/09/1417029809.db2.gz SOKNRLSLANUWCR-KXBFYZLASA-N 0 0 377.444 3.230 20 30 GGEDRN Cc1ccccc1C(=O)C(C(=S)NC[C@@H]1CCCCO1)[n+]1cccc([O-])c1 ZINC000134155411 1417030661 /nfs/dbraw/zinc/03/06/61/1417030661.db2.gz FBNJDZXVFVBOLZ-KRWDZBQOSA-O 0 0 385.509 3.086 20 30 GGEDRN Cc1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)c1 ZINC000134168831 1417032398 /nfs/dbraw/zinc/03/23/98/1417032398.db2.gz GUNSUSKRRSKGMA-HXUWFJFHSA-N 0 0 391.471 3.285 20 30 GGEDRN Cc1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)c1 ZINC000134169036 1417032498 /nfs/dbraw/zinc/03/24/98/1417032498.db2.gz GUNSUSKRRSKGMA-FQEVSTJZSA-N 0 0 391.471 3.285 20 30 GGEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000178721668 1429151341 /nfs/dbraw/zinc/15/13/41/1429151341.db2.gz KNALJBQCBJNWGN-HXUWFJFHSA-N 0 0 395.434 3.406 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)c3cc4ccccc4o3)C2)c(F)c1 ZINC000134174518 1417033530 /nfs/dbraw/zinc/03/35/30/1417033530.db2.gz VQLKQJYMSNQPSB-MRXNPFEDSA-N 0 0 399.447 3.391 20 30 GGEDRN CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCCc2ccccc2)cc1 ZINC000134183554 1417034716 /nfs/dbraw/zinc/03/47/16/1417034716.db2.gz IBRRXBMMJJYHGY-IBGZPJMESA-N 0 0 377.444 3.059 20 30 GGEDRN N#CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccccc1 ZINC000178724586 1429151747 /nfs/dbraw/zinc/15/17/47/1429151747.db2.gz CCAUJGKKYIKCLO-LJQANCHMSA-N 0 0 383.473 3.285 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000134200132 1417037151 /nfs/dbraw/zinc/03/71/51/1417037151.db2.gz YUQXLNSRCPSIGU-LBPRGKRZSA-N 0 0 383.370 3.107 20 30 GGEDRN Cc1ccc(C)c(C(=O)C(C(=S)NC[C@@H]2CCCCO2)[n+]2cccc([O-])c2)c1 ZINC000134218030 1417039304 /nfs/dbraw/zinc/03/93/04/1417039304.db2.gz BOTKWVQSHAJNAW-SFHVURJKSA-O 0 0 399.536 3.394 20 30 GGEDRN N#CCC[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccccc1 ZINC000178724597 1429152556 /nfs/dbraw/zinc/15/25/56/1429152556.db2.gz CCAUJGKKYIKCLO-IBGZPJMESA-N 0 0 383.473 3.285 20 30 GGEDRN C[C@H]1CC[C@H](C)N1C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000134273785 1417048114 /nfs/dbraw/zinc/04/81/14/1417048114.db2.gz HUWJILAOANSQQZ-HOTGVXAUSA-N 0 0 377.444 3.475 20 30 GGEDRN C[C@@H]1CC[C@H](C)N1C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000134273770 1417048230 /nfs/dbraw/zinc/04/82/30/1417048230.db2.gz HUWJILAOANSQQZ-IYBDPMFKSA-N 0 0 377.444 3.475 20 30 GGEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000134273178 1417048392 /nfs/dbraw/zinc/04/83/92/1417048392.db2.gz WIOMURTVRZIAQQ-GASCZTMLSA-N 0 0 378.432 3.392 20 30 GGEDRN COc1ccc([C@H]2CCCN2C(=O)COc2ccc(C#N)cc2F)c(OC)c1 ZINC000134299189 1417052152 /nfs/dbraw/zinc/05/21/52/1417052152.db2.gz OKBYPDGIGUEYGO-GOSISDBHSA-N 0 0 384.407 3.457 20 30 GGEDRN Cc1cc2c(ncn(CC(=O)N(CCC#N)c3cccc(Cl)c3)c2=O)s1 ZINC000134306400 1417053228 /nfs/dbraw/zinc/05/32/28/1417053228.db2.gz CRNNIWGATVEAQK-UHFFFAOYSA-N 0 0 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CC1(C)C[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c2ccccc21 ZINC000178758728 1429161586 /nfs/dbraw/zinc/16/15/86/1429161586.db2.gz WBJTVIKDELVEOH-IBGZPJMESA-N 0 0 375.476 3.207 20 30 GGEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC000134968136 1417153691 /nfs/dbraw/zinc/15/36/91/1417153691.db2.gz DIGABYBYXHWZPK-UHFFFAOYSA-N 0 0 393.371 3.102 20 30 GGEDRN N#CCCN(Cc1ccccn1)C(=O)Nc1ccccc1OCCn1ccnc1 ZINC000134967226 1417154043 /nfs/dbraw/zinc/15/40/43/1417154043.db2.gz JMRSVTSFWGBMRX-UHFFFAOYSA-N 0 0 390.447 3.305 20 30 GGEDRN COC(=O)C[C@@H]1CCCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000178760750 1429162164 /nfs/dbraw/zinc/16/21/64/1429162164.db2.gz UFTGPXLSQWNRMQ-IBGZPJMESA-N 0 0 378.428 3.305 20 30 GGEDRN COc1ccccc1NC(=O)[C@H](C#N)C(=O)CCc1nc(C2CCCC2)no1 ZINC000134976452 1417154926 /nfs/dbraw/zinc/15/49/26/1417154926.db2.gz WZXOZGKXCCTDRU-CQSZACIVSA-N 0 0 382.420 3.016 20 30 GGEDRN NC(=O)C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)C1CCCCC1 ZINC000134986205 1417156835 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C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1cccc(N2CCCC2)c1 ZINC000136623902 1417332861 /nfs/dbraw/zinc/33/28/61/1417332861.db2.gz BYECNZFHODSOEL-CQSZACIVSA-N 0 0 380.423 3.113 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccc(OCC2CC2)c(F)c1 ZINC000136649306 1417335208 /nfs/dbraw/zinc/33/52/08/1417335208.db2.gz CONVBRKBQPORLA-LBPRGKRZSA-N 0 0 399.397 3.441 20 30 GGEDRN CN1C(=O)CCc2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)ccc21 ZINC000136654266 1417335863 /nfs/dbraw/zinc/33/58/63/1417335863.db2.gz KBKBRMYWEHQFFS-CQSZACIVSA-N 0 0 399.809 3.349 20 30 GGEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(-c3ccccn3)s2)cc1 ZINC000136681165 1417337528 /nfs/dbraw/zinc/33/75/28/1417337528.db2.gz MVUSDUBVEVYSLR-CQSZACIVSA-N 0 0 378.413 3.175 20 30 GGEDRN C[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000136688143 1417338608 /nfs/dbraw/zinc/33/86/08/1417338608.db2.gz MWNCDSUQSXHOFJ-CQSZACIVSA-N 0 0 388.514 3.262 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)c3cccnc3C(F)(F)F)CC2)c(F)c1 ZINC000136796786 1417346919 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GGEDRN CCCCN(C)c1ccc(C(=O)Nc2c(C(=O)OCC)cnn2CCC#N)cc1 ZINC000136860973 1417351252 /nfs/dbraw/zinc/35/12/52/1417351252.db2.gz LXRWWJYRPDULMM-UHFFFAOYSA-N 0 0 397.479 3.462 20 30 GGEDRN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000136895265 1417353110 /nfs/dbraw/zinc/35/31/10/1417353110.db2.gz MRXNMKNRVBVOII-UHFFFAOYSA-N 0 0 390.317 3.383 20 30 GGEDRN N#Cc1cc(N2CCN(C(=O)c3cccc(O)c3)CC2)ccc1C(F)(F)F ZINC000136949052 1417357383 /nfs/dbraw/zinc/35/73/83/1417357383.db2.gz YTXUFZKDONBWJF-UHFFFAOYSA-N 0 0 375.350 3.245 20 30 GGEDRN Cc1cn(C[C@H](O)COCc2ccc(Cl)cc2)c(=O)n1-c1ccc(C#N)cc1 ZINC000178816961 1429180467 /nfs/dbraw/zinc/18/04/67/1429180467.db2.gz BLLZQFUWSHJEPC-FQEVSTJZSA-N 0 0 397.862 3.050 20 30 GGEDRN CN(CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@H]1CCSC1 ZINC000137075769 1417366605 /nfs/dbraw/zinc/36/66/05/1417366605.db2.gz UUWJRNNOUDFPJW-IBGZPJMESA-N 0 0 394.500 3.186 20 30 GGEDRN CC(C)(C)c1nnc(NC(=O)CN2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC000137099965 1417367937 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1429252394 /nfs/dbraw/zinc/25/23/94/1429252394.db2.gz ZQSRCIXGLZPGCU-ZABCRHKISA-N 0 0 395.503 3.307 20 30 GGEDRN N#Cc1cccc(-c2csc(NC(=O)C(=O)NCc3cc(F)cc(F)c3)n2)c1 ZINC000179092697 1429259033 /nfs/dbraw/zinc/25/90/33/1429259033.db2.gz STPWZTBGNLKODO-UHFFFAOYSA-N 0 0 398.394 3.215 20 30 GGEDRN CCCOc1ccc2c(c1)CCN(C(=O)C(=O)Nc1cccc(C#N)c1C)C2 ZINC000179084007 1429257175 /nfs/dbraw/zinc/25/71/75/1429257175.db2.gz OOCKVCCTQQRFLR-UHFFFAOYSA-N 0 0 377.444 3.179 20 30 GGEDRN Cc1ccccc1CCNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000179084331 1429257415 /nfs/dbraw/zinc/25/74/15/1429257415.db2.gz XMCONOKKNJVABN-UHFFFAOYSA-N 0 0 390.468 3.288 20 30 GGEDRN N#C[C@@H](C(=O)CCCNC(=O)c1cccnc1)c1nc2ccccc2n1C(F)F ZINC000179115039 1429267719 /nfs/dbraw/zinc/26/77/19/1429267719.db2.gz LGYJWZUGEKRHJN-AWEZNQCLSA-N 0 0 397.385 3.213 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000179123096 1429269672 /nfs/dbraw/zinc/26/96/72/1429269672.db2.gz UKOZODPCNWTMGS-UHFFFAOYSA-N 0 0 379.485 3.114 20 30 GGEDRN C[C@H](CS(C)(=O)=O)NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000179145871 1429276971 /nfs/dbraw/zinc/27/69/71/1429276971.db2.gz LDSZXMDWPDUVBL-GFCCVEGCSA-N 0 0 392.864 3.167 20 30 GGEDRN Cc1cc(I)cn(CCCOc2ccc(C#N)cc2)c1=O ZINC000179152574 1429279151 /nfs/dbraw/zinc/27/91/51/1429279151.db2.gz YVUNFFQIWODKDK-UHFFFAOYSA-N 0 0 394.212 3.102 20 30 GGEDRN COc1ccc2cccc(CC(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2c1 ZINC000179169934 1429284440 /nfs/dbraw/zinc/28/44/40/1429284440.db2.gz AIZUJIWMTWLNQE-UHFFFAOYSA-N 0 0 386.455 3.006 20 30 GGEDRN CCOC(=O)c1ccccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000179197621 1429292099 /nfs/dbraw/zinc/29/20/99/1429292099.db2.gz WWUWSYLTOCMPCQ-UHFFFAOYSA-N 0 0 392.459 3.479 20 30 GGEDRN N#Cc1ccc(N2CCN(c3nc4ccccc4nc3N3CCCCC3)CC2)nc1 ZINC000179182823 1429288375 /nfs/dbraw/zinc/28/83/75/1429288375.db2.gz ZCGAIOBSLPYOLN-UHFFFAOYSA-N 0 0 399.502 3.213 20 30 GGEDRN CCN(CC(=O)Nc1ccccc1OC)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000179185984 1429288847 /nfs/dbraw/zinc/28/88/47/1429288847.db2.gz KRSIRRFNDQWDJF-AWEZNQCLSA-N 0 0 398.463 3.064 20 30 GGEDRN CC(C)Cc1ccc(CCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000179199487 1429292538 /nfs/dbraw/zinc/29/25/38/1429292538.db2.gz RYNACJXQILRLLT-UHFFFAOYSA-N 0 0 376.504 3.433 20 30 GGEDRN COc1ccc(CN2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)cc1C#N ZINC000179203641 1429293888 /nfs/dbraw/zinc/29/38/88/1429293888.db2.gz MRQYSCMJKFRGJK-UHFFFAOYSA-N 0 0 395.894 3.186 20 30 GGEDRN COC(=O)c1cc(C)ccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000179214434 1429297674 /nfs/dbraw/zinc/29/76/74/1429297674.db2.gz IUAPYJPHECKCPK-UHFFFAOYSA-N 0 0 392.459 3.398 20 30 GGEDRN N#C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccccc1Cl ZINC000179220099 1429297970 /nfs/dbraw/zinc/29/79/70/1429297970.db2.gz IPPMONIFCZGSRQ-HNNXBMFYSA-N 0 0 381.779 3.429 20 30 GGEDRN CCN(C(=O)c1cc(S(C)(=O)=O)ccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000179239190 1429302731 /nfs/dbraw/zinc/30/27/31/1429302731.db2.gz STPZFIZVHUZNLO-CQSZACIVSA-N 0 0 386.473 3.194 20 30 GGEDRN N#CCOc1cccc(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000179250947 1429305093 /nfs/dbraw/zinc/30/50/93/1429305093.db2.gz LEOLXDOIGYKKOW-UHFFFAOYSA-N 0 0 377.444 3.009 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)c1cccnc1OCC(F)F ZINC000179249332 1429305196 /nfs/dbraw/zinc/30/51/96/1429305196.db2.gz VFJZNRGWTGFKAE-UHFFFAOYSA-N 0 0 377.416 3.260 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)cc1C#N ZINC000179274043 1429311041 /nfs/dbraw/zinc/31/10/41/1429311041.db2.gz UPFSSFAIZJQRDL-UHFFFAOYSA-N 0 0 389.415 3.494 20 30 GGEDRN CC(C)C[C@H](C)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000179275691 1429311363 /nfs/dbraw/zinc/31/13/63/1429311363.db2.gz LSUOLLJDYTZWMC-HGNXGAGXSA-N 0 0 380.514 3.056 20 30 GGEDRN CC(C)C[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000179275680 1429311453 /nfs/dbraw/zinc/31/14/53/1429311453.db2.gz LSUOLLJDYTZWMC-LQFHHUIYSA-N 0 0 380.514 3.056 20 30 GGEDRN CCOC(=O)CN([C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000179276397 1429311793 /nfs/dbraw/zinc/31/17/93/1429311793.db2.gz PAFQKDKEEJRAJD-INIZCTEOSA-N 0 0 386.473 3.182 20 30 GGEDRN COC[C@H]1CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CCO1 ZINC000179282664 1429313830 /nfs/dbraw/zinc/31/38/30/1429313830.db2.gz PJJNEBVRABAXLS-MRXNPFEDSA-N 0 0 386.835 3.491 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000179285851 1429314224 /nfs/dbraw/zinc/31/42/24/1429314224.db2.gz ZWKAVVCPJPMCKU-HXUWFJFHSA-N 0 0 388.402 3.245 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000179285844 1429314475 /nfs/dbraw/zinc/31/44/75/1429314475.db2.gz ZWKAVVCPJPMCKU-FQEVSTJZSA-N 0 0 388.402 3.245 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000179305766 1429322203 /nfs/dbraw/zinc/32/22/03/1429322203.db2.gz KKLDTQKDKBJTAV-UHFFFAOYSA-N 0 0 387.443 3.121 20 30 GGEDRN C#CCOCCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000179319707 1429327305 /nfs/dbraw/zinc/32/73/05/1429327305.db2.gz QPQOTDMLIHKAGG-UHFFFAOYSA-N 0 0 379.279 3.475 20 30 GGEDRN CCS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C#N)c2ccccc2Cl)cc1 ZINC000179325587 1429329067 /nfs/dbraw/zinc/32/90/67/1429329067.db2.gz GXCXACPJKJEBDV-SFHVURJKSA-N 0 0 390.892 3.447 20 30 GGEDRN CCc1ccc(C(=O)N2CCN(Cc3ccc(O[C@@H](C)C#N)cc3)CC2)cc1 ZINC000179328975 1429330574 /nfs/dbraw/zinc/33/05/74/1429330574.db2.gz BOYIXILMKZAVSB-SFHVURJKSA-N 0 0 377.488 3.498 20 30 GGEDRN C=C[C@H](CC(=O)N1CCCN(c2nccc(OCC)n2)CC1)c1ccccc1 ZINC000179331117 1429330849 /nfs/dbraw/zinc/33/08/49/1429330849.db2.gz AJKUEKGHBPKWBI-GOSISDBHSA-N 0 0 380.492 3.274 20 30 GGEDRN N#CCOc1ccc(C=CC(=O)N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179337041 1429334059 /nfs/dbraw/zinc/33/40/59/1429334059.db2.gz KOYHOEADWLDFAS-JSNVTFDYSA-N 0 0 377.448 3.004 20 30 GGEDRN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)Cc1cccc(OCC#N)c1 ZINC000179345639 1429336825 /nfs/dbraw/zinc/33/68/25/1429336825.db2.gz MMWQUDNAECBZSW-LJQANCHMSA-N 0 0 380.444 3.210 20 30 GGEDRN COCCO[C@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000179353623 1429340410 /nfs/dbraw/zinc/34/04/10/1429340410.db2.gz KNTWLSCTZNSQPG-CTNGQTDRSA-N 0 0 387.524 3.066 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)NCCc3ccc(F)cc3)CC2)nc1 ZINC000179380788 1429351420 /nfs/dbraw/zinc/35/14/20/1429351420.db2.gz LWLCIXSCHGVLEO-UHFFFAOYSA-N 0 0 382.439 3.324 20 30 GGEDRN N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(-n3ccnn3)cc2)cc1 ZINC000179406232 1429361951 /nfs/dbraw/zinc/36/19/51/1429361951.db2.gz NVVIVRWQMKNLLA-UHFFFAOYSA-N 0 0 385.349 3.344 20 30 GGEDRN CN1CCO[C@H]([C@H](NC(=O)c2cccc(CC#N)c2)c2ccc(Cl)cc2)C1 ZINC000179422041 1429368887 /nfs/dbraw/zinc/36/88/87/1429368887.db2.gz DSFDEGGBCAHLKW-VQTJNVASSA-N 0 0 383.879 3.208 20 30 GGEDRN CC(=O)N(c1nc(CN2CCOC[C@@H]2C#N)cs1)c1c(C)cc(C)cc1C ZINC000179422824 1429369328 /nfs/dbraw/zinc/36/93/28/1429369328.db2.gz UXMFHOPXVCBUEV-SFHVURJKSA-N 0 0 384.505 3.477 20 30 GGEDRN C=C[C@@H](CC(=O)NCCNS(=O)(=O)c1cc(C)sc1C)c1ccccc1 ZINC000179440278 1429376864 /nfs/dbraw/zinc/37/68/64/1429376864.db2.gz GQVLSFYNYHGEHU-INIZCTEOSA-N 0 0 392.546 3.119 20 30 GGEDRN COc1cccc(C(=O)N2CCN(Cc3ccc(N(C)CCC#N)cc3)CC2)c1 ZINC000179424327 1429370002 /nfs/dbraw/zinc/37/00/02/1429370002.db2.gz PPZMVVIAJKXTBP-UHFFFAOYSA-N 0 0 392.503 3.003 20 30 GGEDRN N#Cc1ccccc1OCc1cccc(C(=O)N2CCCC3(C2)OCCO3)c1 ZINC000179429826 1429373100 /nfs/dbraw/zinc/37/31/00/1429373100.db2.gz LHLBYHWLSNYYBM-UHFFFAOYSA-N 0 0 378.428 3.116 20 30 GGEDRN Cc1cc(F)ccc1-n1cc(C(=O)Nc2ncccc2OCCCC#N)nn1 ZINC000179436921 1429375683 /nfs/dbraw/zinc/37/56/83/1429375683.db2.gz BFXLOGKEFWPCCG-UHFFFAOYSA-N 0 0 380.383 3.045 20 30 GGEDRN COc1ccc(C[C@H](C)CN(C)C(=O)C(=O)Nc2cccc(C#N)c2C)cc1 ZINC000179445598 1429379453 /nfs/dbraw/zinc/37/94/53/1429379453.db2.gz SZGYWGIQHFPBAT-HNNXBMFYSA-N 0 0 379.460 3.151 20 30 GGEDRN N#Cc1ccc(CNC(=O)c2ccnc(Cl)c2I)cc1 ZINC000179452291 1429381698 /nfs/dbraw/zinc/38/16/98/1429381698.db2.gz PELXUMOGNKVRJI-UHFFFAOYSA-N 0 0 397.603 3.141 20 30 GGEDRN N#Cc1ccccc1/C=C/C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000179457279 1429382891 /nfs/dbraw/zinc/38/28/91/1429382891.db2.gz OXQKTSVCHDMQLV-MOTZXUDYSA-N 0 0 383.810 3.286 20 30 GGEDRN CCCCCNC(=O)[C@H](C#N)C(=O)Cc1cc(OC)ccc1Br ZINC000179456253 1429383080 /nfs/dbraw/zinc/38/30/80/1429383080.db2.gz WFYYKQCDLOAWKZ-CQSZACIVSA-N 0 0 381.270 3.015 20 30 GGEDRN CCCCCCNC(=O)[C@@H](C#N)C(=O)Cc1cc(OC)ccc1Br ZINC000179456191 1429383275 /nfs/dbraw/zinc/38/32/75/1429383275.db2.gz BEUQVVVDBAEKKB-HNNXBMFYSA-N 0 0 395.297 3.406 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)Nc3cccnc3-c3ccccc3)CC2)nc1 ZINC000179463294 1429384282 /nfs/dbraw/zinc/38/42/82/1429384282.db2.gz ARXQKAYHMRJKHT-UHFFFAOYSA-N 0 0 384.443 3.369 20 30 GGEDRN Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N(CCC#N)Cc2ccco2)c1 ZINC000179465555 1429385116 /nfs/dbraw/zinc/38/51/16/1429385116.db2.gz GXEISCOIPNKQQS-UHFFFAOYSA-N 0 0 394.387 3.090 20 30 GGEDRN COC(=O)[C@H](NCc1ccc(OCC#N)cc1)c1cccc(Br)c1 ZINC000179468280 1429385473 /nfs/dbraw/zinc/38/54/73/1429385473.db2.gz SQWXVIRARJDURH-QGZVFWFLSA-N 0 0 389.249 3.355 20 30 GGEDRN C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000179494677 1429394035 /nfs/dbraw/zinc/39/40/35/1429394035.db2.gz ZFJCLCDUSADXCL-CYBMUJFWSA-N 0 0 393.447 3.414 20 30 GGEDRN Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000179504234 1429399979 /nfs/dbraw/zinc/39/99/79/1429399979.db2.gz LWVSWDTXVASCJN-MPBGBICISA-N 0 0 382.420 3.143 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)n1 ZINC000179504968 1429400141 /nfs/dbraw/zinc/40/01/41/1429400141.db2.gz NYXGIMWVVUVPRY-MRXNPFEDSA-N 0 0 399.882 3.465 20 30 GGEDRN N#Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)nc1 ZINC000179509708 1429402411 /nfs/dbraw/zinc/40/24/11/1429402411.db2.gz PXLWAZIREMVKKR-UHFFFAOYSA-N 0 0 386.415 3.250 20 30 GGEDRN CN(Cc1cccc2ccccc21)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000179508139 1429401821 /nfs/dbraw/zinc/40/18/21/1429401821.db2.gz HYPFQLCLPOFLHL-UHFFFAOYSA-N 0 0 389.459 3.260 20 30 GGEDRN CCN(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)c1ccc(C#N)c(Cl)c1 ZINC000179521678 1429407442 /nfs/dbraw/zinc/40/74/42/1429407442.db2.gz RSWNEYWVTPYHFN-UHFFFAOYSA-N 0 0 380.839 3.227 20 30 GGEDRN CCN(C(=O)CCc1c(C)nc(SC)[nH]c1=O)c1ccc(C#N)c(Cl)c1 ZINC000179520947 1429407872 /nfs/dbraw/zinc/40/78/72/1429407872.db2.gz BSIWVICZVYWXEN-UHFFFAOYSA-N 0 0 390.896 3.311 20 30 GGEDRN CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(C#N)c(Cl)c1 ZINC000179525758 1429409282 /nfs/dbraw/zinc/40/92/82/1429409282.db2.gz MOSARIGPUYJKQW-UHFFFAOYSA-N 0 0 396.794 3.367 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCCC2)n1 ZINC000179526322 1429409904 /nfs/dbraw/zinc/40/99/04/1429409904.db2.gz OMTAZBYQFZYDQP-GOSISDBHSA-N 0 0 393.491 3.496 20 30 GGEDRN CCN(C(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccc(C#N)c(Cl)c1 ZINC000179531989 1429413285 /nfs/dbraw/zinc/41/32/85/1429413285.db2.gz NBADMHHYAQPAKT-UHFFFAOYSA-N 0 0 392.846 3.483 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)c1ccccc1N1CCOCC1 ZINC000179534695 1429415301 /nfs/dbraw/zinc/41/53/01/1429415301.db2.gz CGJAZNJAEUDFBK-UHFFFAOYSA-N 0 0 375.432 3.017 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000179536640 1429416626 /nfs/dbraw/zinc/41/66/26/1429416626.db2.gz AWDLEMXQVMHPAQ-LJQANCHMSA-N 0 0 387.443 3.171 20 30 GGEDRN C#Cc1cccc(N(C)C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)c1 ZINC000179540265 1429418277 /nfs/dbraw/zinc/41/82/77/1429418277.db2.gz FIRPXPILGAQUHR-UHFFFAOYSA-N 0 0 392.274 3.111 20 30 GGEDRN N#C[C@@H](NC(=O)[C@@H](c1ccccc1F)N1CCOCC1)c1ccccc1Cl ZINC000179549870 1429425072 /nfs/dbraw/zinc/42/50/72/1429425072.db2.gz FBLJIXGLYPDILD-RTBURBONSA-N 0 0 387.842 3.233 20 30 GGEDRN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000179550719 1429425284 /nfs/dbraw/zinc/42/52/84/1429425284.db2.gz JTFCLIIJZQGTTO-PMACEKPBSA-N 0 0 394.862 3.250 20 30 GGEDRN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@H](C#N)c1ccccc1Cl)C2=O ZINC000179546107 1429422849 /nfs/dbraw/zinc/42/28/49/1429422849.db2.gz WCXDVCJXVCPIIY-SJKOYZFVSA-N 0 0 381.819 3.014 20 30 GGEDRN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000179551444 1429426632 /nfs/dbraw/zinc/42/66/32/1429426632.db2.gz RSSJCDRKEKQXTF-ICSRJNTNSA-N 0 0 383.879 3.404 20 30 GGEDRN COc1ccc(C(=O)N[C@@H](C(=O)N[C@@H](C#N)c2ccccc2Cl)C(C)C)cc1 ZINC000179552651 1429427203 /nfs/dbraw/zinc/42/72/03/1429427203.db2.gz RIDSCKMEBCSVJO-RBUKOAKNSA-N 0 0 399.878 3.484 20 30 GGEDRN Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1cc(C(C)(C)C)sc1C#N)C2=O ZINC000179552612 1429427822 /nfs/dbraw/zinc/42/78/22/1429427822.db2.gz RRQUDNNBZMYQBT-UHFFFAOYSA-N 0 0 381.457 3.460 20 30 GGEDRN Cc1cc(=O)c(C(=O)N[C@H](C#N)c2ccccc2Cl)nn1-c1ccccc1 ZINC000179554493 1429428353 /nfs/dbraw/zinc/42/83/53/1429428353.db2.gz AEFKGIDBRUFMDT-QGZVFWFLSA-N 0 0 378.819 3.189 20 30 GGEDRN N#C[C@H](NC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1Cl ZINC000179554923 1429428612 /nfs/dbraw/zinc/42/86/12/1429428612.db2.gz XAHGRFCAEQSPMT-RBUKOAKNSA-N 0 0 387.842 3.233 20 30 GGEDRN CC(C)[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)N1C(=O)c2ccccc2C1=O ZINC000179552589 1429426201 /nfs/dbraw/zinc/42/62/01/1429426201.db2.gz FEINIYXFYNATCK-ROUUACIJSA-N 0 0 395.846 3.342 20 30 GGEDRN N#C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)c1ccccc1Cl ZINC000179556095 1429429618 /nfs/dbraw/zinc/42/96/18/1429429618.db2.gz REDKFBKYPAFTIL-SJORKVTESA-N 0 0 387.892 3.316 20 30 GGEDRN N#C[C@@H](NC(=O)[C@H]1CCCN1C(=O)Cc1cccs1)c1ccccc1Cl ZINC000179556113 1429430025 /nfs/dbraw/zinc/43/00/25/1429430025.db2.gz REDKFBKYPAFTIL-IAGOWNOFSA-N 0 0 387.892 3.316 20 30 GGEDRN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000179557540 1429430968 /nfs/dbraw/zinc/43/09/68/1429430968.db2.gz VHSIBJLDRRBLMG-IBGZPJMESA-N 0 0 396.878 3.103 20 30 GGEDRN C=C[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1)c1ccccc1 ZINC000179566618 1429437485 /nfs/dbraw/zinc/43/74/85/1429437485.db2.gz KXEOZCMAJPBRMP-SFHVURJKSA-N 0 0 395.478 3.268 20 30 GGEDRN C=C[C@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1)c1ccccc1 ZINC000179566630 1429437766 /nfs/dbraw/zinc/43/77/66/1429437766.db2.gz KXEOZCMAJPBRMP-GOSISDBHSA-N 0 0 395.478 3.268 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N(Cc2ccccc2)CC2CCC2)n1 ZINC000179573171 1429443110 /nfs/dbraw/zinc/44/31/10/1429443110.db2.gz RXKCPMNOGFLPPK-UHFFFAOYSA-N 0 0 393.491 3.277 20 30 GGEDRN C[C@H]1c2cccn2CCN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000179576244 1429446720 /nfs/dbraw/zinc/44/67/20/1429446720.db2.gz HQFJSABDDJUWJK-ZLPCBKJTSA-N 0 0 379.464 3.231 20 30 GGEDRN Cc1ccc2c(c1)[C@H](NC(=O)N1CCN(c3ccc(C#N)cn3)CC1)CCC2 ZINC000179578173 1429448282 /nfs/dbraw/zinc/44/82/82/1429448282.db2.gz OCIVZZVTOUEBMM-HXUWFJFHSA-N 0 0 375.476 3.171 20 30 GGEDRN CCN(Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179598916 1429463820 /nfs/dbraw/zinc/46/38/20/1429463820.db2.gz MBKHKJJNFTVYAZ-HXUWFJFHSA-N 0 0 384.501 3.146 20 30 GGEDRN N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccnc(OCC(F)F)c1 ZINC000179611044 1429470196 /nfs/dbraw/zinc/47/01/96/1429470196.db2.gz OFQXZHCCNSWFCK-CYBMUJFWSA-N 0 0 379.750 3.340 20 30 GGEDRN CN1c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc2CCC1=O ZINC000179610600 1429470273 /nfs/dbraw/zinc/47/02/73/1429470273.db2.gz WJQUAVWYCCDYOQ-INIZCTEOSA-N 0 0 381.819 3.210 20 30 GGEDRN N#C[C@@H](c1ccccc1)N1CCN(C(=O)C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000179621965 1429475414 /nfs/dbraw/zinc/47/54/14/1429475414.db2.gz IKIIGDIHHINRTK-VQTJNVASSA-N 0 0 383.879 3.173 20 30 GGEDRN Cn1cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2)n1 ZINC000179624753 1429476099 /nfs/dbraw/zinc/47/60/99/1429476099.db2.gz PVTKYSWFGSUNDP-UHFFFAOYSA-N 0 0 399.498 3.307 20 30 GGEDRN N#CCCN(Cc1cccnc1)C(=O)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000179633163 1429481625 /nfs/dbraw/zinc/48/16/25/1429481625.db2.gz MDWKRDUWUZYZEB-UHFFFAOYSA-N 0 0 384.802 3.011 20 30 GGEDRN CCN(C(=O)c1ccc(=O)n(-c2ccccc2F)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179634783 1429482479 /nfs/dbraw/zinc/48/24/79/1429482479.db2.gz PZPKDLXODXYFDG-HNNXBMFYSA-N 0 0 390.418 3.467 20 30 GGEDRN COc1ccc(OC)c(CN2CCN(Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000179637816 1429484158 /nfs/dbraw/zinc/48/41/58/1429484158.db2.gz MGBZLFUJEHITKC-GOSISDBHSA-N 0 0 395.503 3.312 20 30 GGEDRN C=CCN(C(=O)Nc1ccc2ccn(CCC)c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179639945 1429485049 /nfs/dbraw/zinc/48/50/49/1429485049.db2.gz NNJYJSPKGCBOGH-QGZVFWFLSA-N 0 0 375.494 3.258 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](c3ccccc3)CC2)n1 ZINC000179646910 1429487627 /nfs/dbraw/zinc/48/76/27/1429487627.db2.gz CSTNKUYMFCEIDX-KRWDZBQOSA-N 0 0 393.491 3.245 20 30 GGEDRN N#C[C@H](NC(=O)c1cccnc1N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000179647767 1429488477 /nfs/dbraw/zinc/48/84/77/1429488477.db2.gz NWPHPXMHFMHZRL-INIZCTEOSA-N 0 0 391.258 3.220 20 30 GGEDRN CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)cc1 ZINC000179658111 1429494276 /nfs/dbraw/zinc/49/42/76/1429494276.db2.gz WVFNHWXGMZJTTQ-CYBMUJFWSA-N 0 0 385.493 3.264 20 30 GGEDRN C=CCN(C(=O)Nc1ccc(OCCC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000179663244 1429496983 /nfs/dbraw/zinc/49/69/83/1429496983.db2.gz YKRTVCKORYZWQA-KRWDZBQOSA-N 0 0 380.510 3.319 20 30 GGEDRN C=CCN(C(=O)Nc1ccc(OCCC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000179663234 1429497121 /nfs/dbraw/zinc/49/71/21/1429497121.db2.gz YKRTVCKORYZWQA-QGZVFWFLSA-N 0 0 380.510 3.319 20 30 GGEDRN CCCN1c2ccc(N[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)cc2CCC1=O ZINC000179680839 1429504518 /nfs/dbraw/zinc/50/45/18/1429504518.db2.gz RQHDRSOBPFZLDZ-HXUWFJFHSA-N 0 0 388.471 3.465 20 30 GGEDRN N#Cc1ccccc1N1CCCN(C(=O)C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000179695509 1429510971 /nfs/dbraw/zinc/51/09/71/1429510971.db2.gz KAFSKQFQDDJBEO-HXUWFJFHSA-N 0 0 383.879 3.374 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000179709455 1429516823 /nfs/dbraw/zinc/51/68/23/1429516823.db2.gz LHVBUVOUNATZED-FQEVSTJZSA-N 0 0 381.432 3.469 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N(Cc2ccc(F)cc2)CC2CC2)n1 ZINC000179714953 1429519127 /nfs/dbraw/zinc/51/91/27/1429519127.db2.gz JMBBYYWXKIZLOA-UHFFFAOYSA-N 0 0 397.454 3.026 20 30 GGEDRN CC(C)c1ccc(CCCNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)cc1 ZINC000179721522 1429522023 /nfs/dbraw/zinc/52/20/23/1429522023.db2.gz ZFYMOHRKAASEGL-UHFFFAOYSA-N 0 0 381.480 3.147 20 30 GGEDRN C[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C[C@H]1C ZINC000179722377 1429522672 /nfs/dbraw/zinc/52/26/72/1429522672.db2.gz XRZLTAHXEYBURF-TWPDKZRQSA-N 0 0 392.525 3.009 20 30 GGEDRN C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC[C@@H]1C ZINC000179722346 1429522851 /nfs/dbraw/zinc/52/28/51/1429522851.db2.gz XRZLTAHXEYBURF-VRUVUOAKSA-N 0 0 392.525 3.009 20 30 GGEDRN C[C@@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000152302606 1422066989 /nfs/dbraw/zinc/06/69/89/1422066989.db2.gz UBBMZOIMLJMKCX-KRWDZBQOSA-N 0 0 379.460 3.166 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)NCc2cccc(COCC(F)(F)F)c2)c1 ZINC000152307242 1422068813 /nfs/dbraw/zinc/06/88/13/1422068813.db2.gz CHQXJMBPZRBTQE-UHFFFAOYSA-N 0 0 398.406 3.257 20 30 GGEDRN C[C@@H](Sc1ccccn1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000152332368 1422074811 /nfs/dbraw/zinc/07/48/11/1422074811.db2.gz IMQKRKMZVMSRLT-ZBFHGGJFSA-N 0 0 384.480 3.358 20 30 GGEDRN Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000152353757 1422081120 /nfs/dbraw/zinc/08/11/20/1422081120.db2.gz JJLQZZGLCGLLRK-UHFFFAOYSA-N 0 0 386.473 3.207 20 30 GGEDRN N#Cc1cc(F)c(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)c(F)c1 ZINC000152354339 1422081795 /nfs/dbraw/zinc/08/17/95/1422081795.db2.gz RXRIHDJCMLBCLW-UHFFFAOYSA-N 0 0 378.762 3.234 20 30 GGEDRN C#CCCCCC(=O)N1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000179732265 1429526981 /nfs/dbraw/zinc/52/69/81/1429526981.db2.gz SSMWINNXLHCMAO-SFHVURJKSA-N 0 0 380.492 3.444 20 30 GGEDRN C#CCCCCC(=O)N1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000179732257 1429527000 /nfs/dbraw/zinc/52/70/00/1429527000.db2.gz SSMWINNXLHCMAO-GOSISDBHSA-N 0 0 380.492 3.444 20 30 GGEDRN N#CCc1ccc(S(=O)(=O)NCCc2ccccc2OC(F)(F)F)cc1 ZINC000152382543 1422088547 /nfs/dbraw/zinc/08/85/47/1422088547.db2.gz YDIBSPTYXJQXIX-UHFFFAOYSA-N 0 0 384.379 3.172 20 30 GGEDRN C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000152395687 1422092275 /nfs/dbraw/zinc/09/22/75/1422092275.db2.gz ZGNIUHZVRNLITB-CXAGYDPISA-N 0 0 382.851 3.348 20 30 GGEDRN Cc1c([C@@H](C)NC(=O)CNc2cccc(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000152432570 1422101810 /nfs/dbraw/zinc/10/18/10/1422101810.db2.gz ITUHYASJSIWVEM-CQSZACIVSA-N 0 0 377.423 3.481 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000152468757 1422112179 /nfs/dbraw/zinc/11/21/79/1422112179.db2.gz MZLHAAGFONGMIX-OAHLLOKOSA-N 0 0 387.530 3.462 20 30 GGEDRN C#C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)C1CC1 ZINC000152478834 1422114689 /nfs/dbraw/zinc/11/46/89/1422114689.db2.gz SWFFWIKJKZWYFW-QGZVFWFLSA-N 0 0 390.277 3.256 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)NCC2(Cc3ccccc3)CCC2)cc1 ZINC000152480500 1422115060 /nfs/dbraw/zinc/11/50/60/1422115060.db2.gz RWYQGNCUOJRAAN-UHFFFAOYSA-N 0 0 396.512 3.002 20 30 GGEDRN C#C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)C1CC1 ZINC000152501623 1422123368 /nfs/dbraw/zinc/12/33/68/1422123368.db2.gz ZXEUHWGKBOGMNZ-HOTGVXAUSA-N 0 0 376.250 3.009 20 30 GGEDRN CN(C)c1ccccc1N(C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000152505673 1422123816 /nfs/dbraw/zinc/12/38/16/1422123816.db2.gz BRRNRJCDVZKTBO-UHFFFAOYSA-N 0 0 383.395 3.468 20 30 GGEDRN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)CO2 ZINC000152537896 1422135746 /nfs/dbraw/zinc/13/57/46/1422135746.db2.gz MTAVEXZIPFASDN-AWEZNQCLSA-N 0 0 382.363 3.298 20 30 GGEDRN O=C(CCNC(=O)C1N=CC=CC1=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000152547020 1422138934 /nfs/dbraw/zinc/13/89/34/1422138934.db2.gz XZLAKTCBUJULPZ-VHEBQXMUSA-N 0 0 387.867 3.142 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)C1CCN(Cc2csc(C)n2)CC1 ZINC000152551097 1422139410 /nfs/dbraw/zinc/13/94/10/1422139410.db2.gz MPSSAWPBVXQCPG-UHFFFAOYSA-N 0 0 387.480 3.453 20 30 GGEDRN C=CCNC(=O)c1ccc(NCc2nccn2CCCc2ccccc2)nc1 ZINC000152605374 1422161123 /nfs/dbraw/zinc/16/11/23/1422161123.db2.gz SBACHONAQVNAIJ-UHFFFAOYSA-N 0 0 375.476 3.439 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000152617078 1422168031 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376.376 3.044 20 30 GGEDRN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)N2CCC(C#N)CC2)c1 ZINC000153173724 1422381706 /nfs/dbraw/zinc/38/17/06/1422381706.db2.gz ROMROJOSDWOYTF-UHFFFAOYSA-N 0 0 393.491 3.179 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCN(c3ncccc3F)C2)cc1OC ZINC000153177058 1422382030 /nfs/dbraw/zinc/38/20/30/1422382030.db2.gz SUVSWNGVZXAYCJ-LKUPDRCFSA-N 0 0 397.450 3.202 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)c1cn(-c2ccc(F)cc2C)nn1 ZINC000179776290 1429555831 /nfs/dbraw/zinc/55/58/31/1429555831.db2.gz FSLJSSUDYXFIAF-UHFFFAOYSA-N 0 0 389.394 3.208 20 30 GGEDRN C#Cc1cccc(N(Cc2ccco2)S(=O)(=O)c2cc(Cl)cnc2N)c1 ZINC000153180101 1422383340 /nfs/dbraw/zinc/38/33/40/1422383340.db2.gz MUBGEBIOZQSFPW-UHFFFAOYSA-N 0 0 387.848 3.287 20 30 GGEDRN CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000153183245 1422384029 /nfs/dbraw/zinc/38/40/29/1422384029.db2.gz INKLMJUMUUBHOF-JXFKEZNVSA-N 0 0 375.444 3.497 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000179776509 1429555907 /nfs/dbraw/zinc/55/59/07/1429555907.db2.gz TZCOOVBPZFLUOK-LBPRGKRZSA-N 0 0 375.454 3.349 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)Cn2nnc(Cc3ccccc3C)n2)cc1C ZINC000153204719 1422392493 /nfs/dbraw/zinc/39/24/93/1422392493.db2.gz MJRVOZZLENSYBD-UHFFFAOYSA-N 0 0 388.475 3.136 20 30 GGEDRN CCCN1c2ccc(NS(=O)(=O)c3cc(C#N)ccc3C)cc2CCC1=O ZINC000179768939 1429551230 /nfs/dbraw/zinc/55/12/30/1429551230.db2.gz CZICNUAVFSBLRK-UHFFFAOYSA-N 0 0 383.473 3.357 20 30 GGEDRN N#CCC[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000153207934 1422393896 /nfs/dbraw/zinc/39/38/96/1422393896.db2.gz FXEKHGOMZBOXRW-IBGZPJMESA-N 0 0 375.428 3.224 20 30 GGEDRN C[C@@](O)(CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000153209788 1422394595 /nfs/dbraw/zinc/39/45/95/1422394595.db2.gz WWIGYWWYPPAYSF-QGZVFWFLSA-N 0 0 382.407 3.325 20 30 GGEDRN Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H](CCC#N)c2ccccc2)cc1C ZINC000153211717 1422395268 /nfs/dbraw/zinc/39/52/68/1422395268.db2.gz ITUMLPJDYXYSAU-HXUWFJFHSA-N 0 0 399.516 3.133 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000179770659 1429551534 /nfs/dbraw/zinc/55/15/34/1429551534.db2.gz YWGCCIMEOYUMGA-CJNGLKHVSA-N 0 0 377.872 3.406 20 30 GGEDRN C[C@@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1cccc(-n2ccnc2)c1 ZINC000153241990 1422413809 /nfs/dbraw/zinc/41/38/09/1422413809.db2.gz HVEHBJJDILNBDS-MRXNPFEDSA-N 0 0 387.443 3.278 20 30 GGEDRN CC(C)(C)C(=O)Cn1cc(C(=O)Nc2sc3c(c2C#N)CCCCC3)nn1 ZINC000153245145 1422414644 /nfs/dbraw/zinc/41/46/44/1422414644.db2.gz WGBLFRUIVDKOAA-UHFFFAOYSA-N 0 0 385.493 3.348 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O ZINC000179772716 1429553128 /nfs/dbraw/zinc/55/31/28/1429553128.db2.gz MQTGDQQHPBWRQX-OAHLLOKOSA-N 0 0 377.444 3.352 20 30 GGEDRN C=CCc1ccc(OC[C@@H](O)COc2ccc(-c3nnco3)cc2)c(OC)c1 ZINC000153252813 1422420638 /nfs/dbraw/zinc/42/06/38/1422420638.db2.gz NRGAYBKDQISGAO-KRWDZBQOSA-N 0 0 382.416 3.292 20 30 GGEDRN Cc1nc([C@@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)no1 ZINC000153253979 1422420864 /nfs/dbraw/zinc/42/08/64/1422420864.db2.gz PZITTYJVARCJMX-CQSZACIVSA-N 0 0 378.436 3.263 20 30 GGEDRN C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC[C@@H]1c1ccccc1 ZINC000179778112 1429556691 /nfs/dbraw/zinc/55/66/91/1429556691.db2.gz XVYYTCVPCQYCQB-QAPCUYQASA-N 0 0 393.491 3.100 20 30 GGEDRN C[C@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1cccc(-n2cccn2)c1 ZINC000153273976 1422433153 /nfs/dbraw/zinc/43/31/53/1422433153.db2.gz HIWVALIWMUKULU-INIZCTEOSA-N 0 0 387.443 3.278 20 30 GGEDRN N#Cc1ccc(OC2CN(C(=O)NCc3c(F)cccc3OC(F)F)C2)cc1 ZINC000153278828 1422435049 /nfs/dbraw/zinc/43/50/49/1422435049.db2.gz FKGJERLWXSKDPN-UHFFFAOYSA-N 0 0 391.349 3.272 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)Cn2nnc(Cc3ccccc3C)n2)c1C ZINC000153286196 1422440495 /nfs/dbraw/zinc/44/04/95/1422440495.db2.gz LGXRHGXONRDPNX-UHFFFAOYSA-N 0 0 388.475 3.136 20 30 GGEDRN Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000153288040 1422442218 /nfs/dbraw/zinc/44/22/18/1422442218.db2.gz OXDWFFNIDLRGBN-OAHLLOKOSA-N 0 0 389.371 3.050 20 30 GGEDRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)[C@H](C#N)C(=O)Nc1cccc(C)c1 ZINC000153288157 1422442474 /nfs/dbraw/zinc/44/24/74/1422442474.db2.gz IUPIJACSPAPDQN-INIZCTEOSA-N 0 0 392.381 3.261 20 30 GGEDRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)[C@@H](C#N)C(=O)Nc1cccc(C)c1 ZINC000153288254 1422442478 /nfs/dbraw/zinc/44/24/78/1422442478.db2.gz IUPIJACSPAPDQN-MRXNPFEDSA-N 0 0 392.381 3.261 20 30 GGEDRN C=CCNC(=O)c1ccccc1NCC(=O)c1[nH]c(C)c(C(=O)OCC)c1C ZINC000153302598 1422453704 /nfs/dbraw/zinc/45/37/04/1422453704.db2.gz NBOHFZBZJAFAEZ-UHFFFAOYSA-N 0 0 383.448 3.019 20 30 GGEDRN C=CCc1ccc(OC[C@@H](O)COc2ccc(-n3ccnc3)cc2)c(OC)c1 ZINC000153301598 1422453961 /nfs/dbraw/zinc/45/39/61/1422453961.db2.gz YLWDFGMGXYYUSP-IBGZPJMESA-N 0 0 380.444 3.428 20 30 GGEDRN Cc1nc(SCC(=O)NCCOc2ncccc2Cl)c(C#N)c(C)c1C ZINC000153305095 1422455689 /nfs/dbraw/zinc/45/56/89/1422455689.db2.gz YUVRBUIOEHVGIY-UHFFFAOYSA-N 0 0 390.896 3.214 20 30 GGEDRN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000153305983 1422456473 /nfs/dbraw/zinc/45/64/73/1422456473.db2.gz MIBIFIIFIXTJQP-KRWDZBQOSA-N 0 0 391.880 3.023 20 30 GGEDRN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](CCC#N)c2ccccc2)c1 ZINC000153306085 1422457076 /nfs/dbraw/zinc/45/70/76/1422457076.db2.gz MIBIFIIFIXTJQP-QGZVFWFLSA-N 0 0 391.880 3.023 20 30 GGEDRN COc1ccc(CN2CCCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)cc1 ZINC000153308111 1422458729 /nfs/dbraw/zinc/45/87/29/1422458729.db2.gz MOKKIMJCTFJCTA-UHFFFAOYSA-N 0 0 385.414 3.193 20 30 GGEDRN C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)N(CCC#N)c1ccccc1 ZINC000153308614 1422460008 /nfs/dbraw/zinc/46/00/08/1422460008.db2.gz HZRODLVDWZSYKS-HUUCEWRRSA-N 0 0 378.432 3.153 20 30 GGEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)c2c(F)cccc2F)cc1OC ZINC000153325738 1422469704 /nfs/dbraw/zinc/46/97/04/1422469704.db2.gz HDPZGDUCVBZQJL-YPMHNXCESA-N 0 0 388.370 3.433 20 30 GGEDRN N#Cc1cccc(CNC(=O)NCc2ccc(COC3CCOCC3)cc2)c1 ZINC000153324450 1422470442 /nfs/dbraw/zinc/47/04/42/1422470442.db2.gz IBFWEPFMKPJWNG-UHFFFAOYSA-N 0 0 379.460 3.253 20 30 GGEDRN CS(=O)(=O)c1ccc(OCCC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000153329920 1422473573 /nfs/dbraw/zinc/47/35/73/1422473573.db2.gz CFACAGMEARHYDA-IBGZPJMESA-N 0 0 386.473 3.020 20 30 GGEDRN CC(C)Cn1ncc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1C1CC1 ZINC000153345849 1422481971 /nfs/dbraw/zinc/48/19/71/1422481971.db2.gz LQSOZHKKJOALSN-UHFFFAOYSA-N 0 0 395.482 3.390 20 30 GGEDRN C=CCN(CCc1ccccc1)C(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000179783945 1429561158 /nfs/dbraw/zinc/56/11/58/1429561158.db2.gz PDJBDLXUFVFDHW-HXUWFJFHSA-N 0 0 386.517 3.213 20 30 GGEDRN CCC[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(C)C ZINC000153358179 1422491218 /nfs/dbraw/zinc/49/12/18/1422491218.db2.gz QHAXUVNOSOTCCI-QZTJIDSGSA-N 0 0 396.491 3.204 20 30 GGEDRN CN(C)c1cccc(CNC(=O)c2occc2COc2cccc(C#N)c2)n1 ZINC000153363149 1422495585 /nfs/dbraw/zinc/49/55/85/1422495585.db2.gz BHTPIIFXJYUMAI-UHFFFAOYSA-N 0 0 376.416 3.121 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)n1 ZINC000179784754 1429562563 /nfs/dbraw/zinc/56/25/63/1429562563.db2.gz ZLQHBCRXILLUQW-DYVFJYSZSA-N 0 0 383.427 3.023 20 30 GGEDRN O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000153373633 1422501863 /nfs/dbraw/zinc/50/18/63/1422501863.db2.gz HWJLNSXLCXAXAL-YADHBBJMSA-N 0 0 388.467 3.099 20 30 GGEDRN CN(CCC#N)c1ccc(/C=C2\NC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000153373729 1422501989 /nfs/dbraw/zinc/50/19/89/1422501989.db2.gz LOKDAGLLHKEQNE-RGEXLXHISA-N 0 0 376.485 3.294 20 30 GGEDRN CCS[C@@H](C)c1noc(CON=C(N)c2cccnc2N2CCCCC2)n1 ZINC000153389932 1422510938 /nfs/dbraw/zinc/51/09/38/1422510938.db2.gz QYBMMVYGRMWIBE-ZDUSSCGKSA-N 0 0 390.513 3.106 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)CC2)c(F)c1 ZINC000153390651 1422511039 /nfs/dbraw/zinc/51/10/39/1422511039.db2.gz XWLCSQLNVRPLNK-JKSUJKDBSA-N 0 0 385.389 3.428 20 30 GGEDRN C=C[C@H](CC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1)c1ccccc1 ZINC000153393384 1422511719 /nfs/dbraw/zinc/51/17/19/1422511719.db2.gz RIJJRMASTAHGQP-GOSISDBHSA-N 0 0 396.462 3.235 20 30 GGEDRN C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(CN(CC#N)C2CCCC2)C1=O ZINC000153394200 1422512881 /nfs/dbraw/zinc/51/28/81/1422512881.db2.gz FMPAYTAZYMITJY-GOSISDBHSA-N 0 0 394.397 3.198 20 30 GGEDRN C#CCNC(=O)c1ccccc1NCC(=O)N[C@@H](CC)c1ccccc1OCC ZINC000153395164 1422512950 /nfs/dbraw/zinc/51/29/50/1422512950.db2.gz WYHOLKYDBPEOEJ-IBGZPJMESA-N 0 0 393.487 3.128 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000179786495 1429563753 /nfs/dbraw/zinc/56/37/53/1429563753.db2.gz FYFBYSXKMHKZRR-IEBWSBKVSA-N 0 0 378.538 3.089 20 30 GGEDRN C=CCc1cc(OCC)ccc1OC[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000153399874 1422514708 /nfs/dbraw/zinc/51/47/08/1422514708.db2.gz TUEWAIAVGVFZQD-IBGZPJMESA-N 0 0 376.474 3.330 20 30 GGEDRN Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@H](CCC#N)c2ccccc2)no1 ZINC000153399162 1422515085 /nfs/dbraw/zinc/51/50/85/1422515085.db2.gz UNZUKWWQFGHHRP-GOEBONIOSA-N 0 0 386.477 3.205 20 30 GGEDRN O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000153418158 1422524056 /nfs/dbraw/zinc/52/40/56/1422524056.db2.gz LGUDRZFUCDXRKU-UNMCSNQZSA-N 0 0 388.467 3.099 20 30 GGEDRN O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000153418047 1422524443 /nfs/dbraw/zinc/52/44/43/1422524443.db2.gz LGUDRZFUCDXRKU-IRLDBZIGSA-N 0 0 388.467 3.099 20 30 GGEDRN CN(Cc1ccccc1)C(=O)NCCC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000153420616 1422526415 /nfs/dbraw/zinc/52/64/15/1422526415.db2.gz GWLAUFIULCVFDD-HXUWFJFHSA-N 0 0 378.476 3.379 20 30 GGEDRN N#CCC[C@@H](NC(=O)CC[S@](=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000153424999 1422528275 /nfs/dbraw/zinc/52/82/75/1422528275.db2.gz RCBSOGDWUIMRJR-KWMCUTETSA-N 0 0 398.484 3.117 20 30 GGEDRN CC1CCN(S(=O)(=O)Cc2ccccc2CNc2ccc(C#N)nc2)CC1 ZINC000153439976 1422537989 /nfs/dbraw/zinc/53/79/89/1422537989.db2.gz CMBUOPMWSPJOTL-UHFFFAOYSA-N 0 0 384.505 3.127 20 30 GGEDRN 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N#Cc1ccccc1NC(=O)CCCC(=O)NCC1([C@@H](O)c2ccccc2)CC1 ZINC000155488035 1423383518 /nfs/dbraw/zinc/38/35/18/1423383518.db2.gz AVOCPGCKZBGSCC-QFIPXVFZSA-N 0 0 391.471 3.297 20 30 GGEDRN Cn1cc(CN2CCCN(CC(F)(F)F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179923539 1429643130 /nfs/dbraw/zinc/64/31/30/1429643130.db2.gz YEVVWTJPZYAMKG-UHFFFAOYSA-N 0 0 377.414 3.029 20 30 GGEDRN CN(CCCOc1ccc(C#N)cc1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000155517749 1423396592 /nfs/dbraw/zinc/39/65/92/1423396592.db2.gz BDZJPXZELPQHFO-SFHVURJKSA-N 0 0 390.892 3.441 20 30 GGEDRN CC[C@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)N1CCCC1=O ZINC000155519855 1423397721 /nfs/dbraw/zinc/39/77/21/1423397721.db2.gz REGADXDQBJUKCO-HXUWFJFHSA-N 0 0 377.444 3.477 20 30 GGEDRN CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)[C@H](C)c1ccc(Br)cc1 ZINC000155540115 1423408111 /nfs/dbraw/zinc/40/81/11/1423408111.db2.gz VHEQJLZHFDVUPO-CJNGLKHVSA-N 0 0 395.297 3.193 20 30 GGEDRN C=CCn1c2nnc(SCc3ccc(CO)cc3)n2c2ccccc2c1=O ZINC000179916830 1429640078 /nfs/dbraw/zinc/64/00/78/1429640078.db2.gz YNKQWEPDVBXHKS-UHFFFAOYSA-N 0 0 378.457 3.015 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1CCOc1cc(Cl)ccc1Cl ZINC000155564339 1423420400 /nfs/dbraw/zinc/42/04/00/1423420400.db2.gz RGXRMOVPEZQGHR-CYBMUJFWSA-N 0 0 392.290 3.245 20 30 GGEDRN CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(C3CCOCC3)c2C)cc1 ZINC000155573904 1423426530 /nfs/dbraw/zinc/42/65/30/1423426530.db2.gz CASGWCTXUMSXFS-GOSISDBHSA-N 0 0 380.448 3.067 20 30 GGEDRN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(C3CCOCC3)c2C)cc1 ZINC000155573779 1423426579 /nfs/dbraw/zinc/42/65/79/1423426579.db2.gz CASGWCTXUMSXFS-SFHVURJKSA-N 0 0 380.448 3.067 20 30 GGEDRN C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000155584231 1423432424 /nfs/dbraw/zinc/43/24/24/1423432424.db2.gz QWEULARYLCPZAU-OAHLLOKOSA-N 0 0 386.473 3.303 20 30 GGEDRN Cc1c(C(=O)O[C@@H]2CC[C@H](C#N)C2)nnn1-c1cccc(Br)c1 ZINC000179920113 1429641273 /nfs/dbraw/zinc/64/12/73/1429641273.db2.gz MCAWRVYGWCFFFM-SMDDNHRTSA-N 0 0 375.226 3.187 20 30 GGEDRN Cc1nc(N2CCOCC2)ccc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000155601210 1423439209 /nfs/dbraw/zinc/43/92/09/1423439209.db2.gz RPPDGBHUSUHJNA-UHFFFAOYSA-N 0 0 394.475 3.286 20 30 GGEDRN Cc1cccc(C2(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)CCCC2)c1 ZINC000155603895 1423440019 /nfs/dbraw/zinc/44/00/19/1423440019.db2.gz DODKFHBBXSYSAY-SFHVURJKSA-N 0 0 389.503 3.206 20 30 GGEDRN CCO[C@@H](C)c1nccn1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000155606522 1423442916 /nfs/dbraw/zinc/44/29/16/1423442916.db2.gz IFKBFLCUQZRXCW-AWEZNQCLSA-N 0 0 379.382 3.167 20 30 GGEDRN Cc1cn(-c2ccccc2Cl)nc1C(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000155609942 1423444071 /nfs/dbraw/zinc/44/40/71/1423444071.db2.gz QTCUIOOTLHEANB-ZDUSSCGKSA-N 0 0 379.807 3.190 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1Cc1c(Cl)ccc2cccnc21 ZINC000155611853 1423444558 /nfs/dbraw/zinc/44/45/58/1423444558.db2.gz WPDREXKYJHRNEI-AWEZNQCLSA-N 0 0 378.867 3.261 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1(c2cccc(F)c2)CCCC1 ZINC000155612705 1423445752 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CC[C@H](C)c1ccc(NC(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 ZINC000155629919 1423455546 /nfs/dbraw/zinc/45/55/46/1423455546.db2.gz FMSOUTWYVWFVLI-IRXDYDNUSA-N 0 0 392.507 3.011 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)OC[C@H]1CSc2ccccc2O1 ZINC000155636008 1423460397 /nfs/dbraw/zinc/46/03/97/1423460397.db2.gz IOIIOSSRDUJVMX-INIZCTEOSA-N 0 0 385.489 3.443 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000155636916 1423460707 /nfs/dbraw/zinc/46/07/07/1423460707.db2.gz BOLXFJNJDFJLNX-AWEZNQCLSA-N 0 0 394.866 3.367 20 30 GGEDRN COc1ccc(NC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000155663500 1423474908 /nfs/dbraw/zinc/47/49/08/1423474908.db2.gz KRTUAMQFKBKUMY-CQSZACIVSA-N 0 0 394.456 3.118 20 30 GGEDRN Cc1ccc(NC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000155668221 1423477439 /nfs/dbraw/zinc/47/74/39/1423477439.db2.gz YCXABKGAICNMAR-AWEZNQCLSA-N 0 0 378.457 3.418 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N2CCSC[C@H]2c2ccccc2)ccc1Cl ZINC000155668997 1423478390 /nfs/dbraw/zinc/47/83/90/1423478390.db2.gz QQXRQMZEXHDREW-KRWDZBQOSA-N 0 0 385.876 3.467 20 30 GGEDRN N#Cc1ccc(-n2nccc2NC(=O)c2ccnc(OCC(F)(F)F)c2)cc1 ZINC000155675337 1423481721 /nfs/dbraw/zinc/48/17/21/1423481721.db2.gz RDGGVITZMOZHSU-UHFFFAOYSA-N 0 0 387.321 3.332 20 30 GGEDRN N#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1Cl ZINC000155678092 1423482766 /nfs/dbraw/zinc/48/27/66/1423482766.db2.gz DOXLQROAQIJGRB-LJQANCHMSA-N 0 0 381.863 3.175 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3F)CC2)cc1Cl ZINC000155690077 1423487980 /nfs/dbraw/zinc/48/79/80/1423487980.db2.gz QYQIERBEAUOSEM-UHFFFAOYSA-N 0 0 389.789 3.276 20 30 GGEDRN CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000736286243 1423497533 /nfs/dbraw/zinc/49/75/33/1423497533.db2.gz ATBZILJTQSLITL-CQSZACIVSA-N 0 0 394.483 3.288 20 30 GGEDRN C#Cc1cccc(NC(=O)C(=O)NCC(C)(C)c2ccccc2Br)c1 ZINC000155721633 1423504731 /nfs/dbraw/zinc/50/47/31/1423504731.db2.gz FZGIZUARWSCRST-UHFFFAOYSA-N 0 0 399.288 3.463 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000155736680 1423511096 /nfs/dbraw/zinc/51/10/96/1423511096.db2.gz KDXGYIMHRURCRU-HNNXBMFYSA-N 0 0 385.826 3.380 20 30 GGEDRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C#Cc4ccc5c(c4)OCO5)C3)nc2c1 ZINC000155740788 1423511985 /nfs/dbraw/zinc/51/19/85/1423511985.db2.gz YPPAPZSKXKGEAP-QGZVFWFLSA-N 0 0 387.439 3.358 20 30 GGEDRN Cc1csc(N2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)n1 ZINC000179931810 1429648370 /nfs/dbraw/zinc/64/83/70/1429648370.db2.gz WUZDOGNZMRDQGK-UHFFFAOYSA-N 0 0 378.505 3.046 20 30 GGEDRN C=CCn1c(SCC(=O)N[C@@H](C)CCOC)nnc1-c1ccc(Cl)cc1 ZINC000155750856 1423515972 /nfs/dbraw/zinc/51/59/72/1423515972.db2.gz ZZXMVGDOYFBLBF-ZDUSSCGKSA-N 0 0 394.928 3.418 20 30 GGEDRN N#C[C@@H]1CC[C@H](OC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)C1 ZINC000179932556 1429648830 /nfs/dbraw/zinc/64/88/30/1429648830.db2.gz NSYMBOOVVLCMRW-DYVFJYSZSA-N 0 0 388.420 3.476 20 30 GGEDRN Cc1ccccc1O[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000155753383 1423518368 /nfs/dbraw/zinc/51/83/68/1423518368.db2.gz SYKBHVSZSVKTBH-ICSRJNTNSA-N 0 0 395.434 3.451 20 30 GGEDRN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000155761067 1423521761 /nfs/dbraw/zinc/52/17/61/1423521761.db2.gz OVCOFRPCVNDSPV-AZUAARDMSA-N 0 0 377.444 3.312 20 30 GGEDRN CC(C)CC[C@@H]1CCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000155764032 1423523902 /nfs/dbraw/zinc/52/39/02/1423523902.db2.gz SBHYZADIAFHZJO-HKUYNNGSSA-N 0 0 396.491 3.190 20 30 GGEDRN Cc1ccc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)cc1S(=O)(=O)NC1CCCC1 ZINC000179934963 1429650236 /nfs/dbraw/zinc/65/02/36/1429650236.db2.gz FLRPKDVVJZKMEG-RHSMWYFYSA-N 0 0 376.478 3.065 20 30 GGEDRN Cc1ccc(C(=O)O[C@H]2CC[C@H](C#N)C2)cc1S(=O)(=O)NC1CCCC1 ZINC000179934946 1429650502 /nfs/dbraw/zinc/65/05/02/1429650502.db2.gz FLRPKDVVJZKMEG-YOEHRIQHSA-N 0 0 376.478 3.065 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)C[C@@H](O)c2cccc(F)c2)ccc1OC ZINC000179936512 1429650908 /nfs/dbraw/zinc/65/09/08/1429650908.db2.gz AJLYHGUFNUXAKP-ZWKOTPCHSA-N 0 0 386.423 3.255 20 30 GGEDRN O=C(CCNC(=O)C1N=CC=CC1=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000155784140 1423533573 /nfs/dbraw/zinc/53/35/73/1423533573.db2.gz WFBOWEAHAFUAPM-MRCUWXFGSA-N 0 0 397.381 3.487 20 30 GGEDRN CCN(CC)C(=O)CN(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000155787783 1423534602 /nfs/dbraw/zinc/53/46/02/1423534602.db2.gz VXBDDTFIWULNCP-CQSZACIVSA-N 0 0 390.553 3.016 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cnc3ccc(F)cc3c2)cc1 ZINC000179937051 1429650998 /nfs/dbraw/zinc/65/09/98/1429650998.db2.gz VWWZTXRNXLQLMG-UHFFFAOYSA-N 0 0 399.447 3.433 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CCCOc3ccccc32)CC1 ZINC000155799930 1423538951 /nfs/dbraw/zinc/53/89/51/1423538951.db2.gz ZDWLMJMKQJEADF-IBGZPJMESA-N 0 0 394.450 3.443 20 30 GGEDRN CC1(C)C[C@@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 ZINC000155807950 1423542229 /nfs/dbraw/zinc/54/22/29/1423542229.db2.gz YEXZOJWTEBTASI-HNNXBMFYSA-N 0 0 398.463 3.096 20 30 GGEDRN N#Cc1cc(NC(=O)c2csc([C@@H]3CCCO3)n2)ccc1N1CCC(O)CC1 ZINC000155811535 1423545011 /nfs/dbraw/zinc/54/50/11/1423545011.db2.gz NUUSIOGXQIXMDF-SFHVURJKSA-N 0 0 398.488 3.080 20 30 GGEDRN N#Cc1cccc(OCCCCC(=O)Nc2ccc3c(c2)CCN3C(N)=O)c1 ZINC000155853899 1423562929 /nfs/dbraw/zinc/56/29/29/1423562929.db2.gz FBUUEZLUNKQWRW-UHFFFAOYSA-N 0 0 378.432 3.187 20 30 GGEDRN C=CCSc1ccccc1NC(=O)CN1CCCN(CC(F)(F)F)CC1 ZINC000155860110 1423565249 /nfs/dbraw/zinc/56/52/49/1423565249.db2.gz ZQYKWMYKOSHWTE-UHFFFAOYSA-N 0 0 387.471 3.473 20 30 GGEDRN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@H](C)c2c(C)noc2C)C1=O ZINC000155862222 1423566462 /nfs/dbraw/zinc/56/64/62/1423566462.db2.gz NIKXAOZXECLZBO-CWTRNNRKSA-N 0 0 378.473 3.097 20 30 GGEDRN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@H](C)c2c(C)noc2C)C1=O ZINC000155862345 1423566572 /nfs/dbraw/zinc/56/65/72/1423566572.db2.gz NIKXAOZXECLZBO-BLVKFPJESA-N 0 0 378.473 3.097 20 30 GGEDRN Cc1nc(Cl)ccc1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N ZINC000155863468 1423567053 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GGEDRN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCCN(CC(F)(F)F)CC2)cc1 ZINC000155910877 1423591316 /nfs/dbraw/zinc/59/13/16/1423591316.db2.gz VZRSJQJTDVUFFZ-QGZVFWFLSA-N 0 0 396.457 3.200 20 30 GGEDRN N#C[C@H]1CC[C@H](OC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)C1 ZINC000179945652 1429655647 /nfs/dbraw/zinc/65/56/47/1429655647.db2.gz FWQVFTDQIRLBEP-RDJZCZTQSA-N 0 0 376.478 3.100 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)nc2C)cc1 ZINC000155932549 1423599779 /nfs/dbraw/zinc/59/97/79/1423599779.db2.gz DRDNPRDTCRMUOA-UHFFFAOYSA-N 0 0 379.869 3.102 20 30 GGEDRN C[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)Oc1ccccc1Cl ZINC000155933332 1423599835 /nfs/dbraw/zinc/59/98/35/1423599835.db2.gz LOGPXIGMGVPSFC-LLVKDONJSA-N 0 0 392.242 3.387 20 30 GGEDRN C#CCCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000155934674 1423600558 /nfs/dbraw/zinc/60/05/58/1423600558.db2.gz YJDXKFHSRCFHDA-UHFFFAOYSA-N 0 0 386.473 3.029 20 30 GGEDRN N#C[C@@H]1CC[C@H](OC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)C1 ZINC000179945682 1429655917 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GGEDRN C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000156165549 1423702842 /nfs/dbraw/zinc/70/28/42/1423702842.db2.gz LXWDQOHULQMZHN-UHFFFAOYSA-N 0 0 388.471 3.127 20 30 GGEDRN COc1ccc(C#N)cc1CN1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000156178580 1423707579 /nfs/dbraw/zinc/70/75/79/1423707579.db2.gz GKJVTCOCCUPHOT-UHFFFAOYSA-N 0 0 383.879 3.107 20 30 GGEDRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)O[C@H]1CC[C@H](C#N)C1 ZINC000179962074 1429664676 /nfs/dbraw/zinc/66/46/76/1429664676.db2.gz RLBVLEMBBUZLKU-DUVNUKRYSA-N 0 0 376.840 3.189 20 30 GGEDRN N#CC1CCN(C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)CC1 ZINC000156193340 1423718081 /nfs/dbraw/zinc/71/80/81/1423718081.db2.gz PFLHBTGOQJSNJW-UHFFFAOYSA-N 0 0 393.472 3.382 20 30 GGEDRN C#CCCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000156198349 1423720645 /nfs/dbraw/zinc/72/06/45/1423720645.db2.gz DFLBFWRDJDZMJD-UHFFFAOYSA-N 0 0 388.464 3.468 20 30 GGEDRN N#CCCN(Cc1ccco1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000156203793 1423723227 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N#C[C@@H]1CC[C@@H](OC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000179966948 1429666674 /nfs/dbraw/zinc/66/66/74/1429666674.db2.gz UEHVTIVMLFWHDI-UKRRQHHQSA-N 0 0 396.896 3.364 20 30 GGEDRN C=C(C)Cn1c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc1-c1ccncc1 ZINC000156222877 1423733859 /nfs/dbraw/zinc/73/38/59/1423733859.db2.gz BPPBUYBRFWUIHG-MGPUTAFESA-N 0 0 398.536 3.451 20 30 GGEDRN COc1ccc([C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C(C)C)cc1 ZINC000156236350 1423737423 /nfs/dbraw/zinc/73/74/23/1423737423.db2.gz JBUIKGNUAUIZNO-SFHVURJKSA-N 0 0 389.433 3.151 20 30 GGEDRN Cc1ccc2c(c1)[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)CO2 ZINC000156246927 1423741965 /nfs/dbraw/zinc/74/19/65/1423741965.db2.gz QVUQTEVEBLEMMF-LJQANCHMSA-N 0 0 377.444 3.272 20 30 GGEDRN CN(C)c1ccc(CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000156254959 1423743766 /nfs/dbraw/zinc/74/37/66/1423743766.db2.gz LWOWTUXKDQOESV-UHFFFAOYSA-N 0 0 393.491 3.209 20 30 GGEDRN COc1ccc(CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000156257565 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C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000158302031 1424221248 /nfs/dbraw/zinc/22/12/48/1424221248.db2.gz AMRKRFUGMNIBKK-OAQYLSRUSA-N 0 0 393.487 3.226 20 30 GGEDRN CC[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC000158327016 1424226947 /nfs/dbraw/zinc/22/69/47/1424226947.db2.gz IDNPRSSUIOCRMZ-SFHVURJKSA-N 0 0 385.449 3.080 20 30 GGEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccnc1OCC(F)F ZINC000158331922 1424228300 /nfs/dbraw/zinc/22/83/00/1424228300.db2.gz BDEVELSSCCKEPX-UHFFFAOYSA-N 0 0 381.423 3.259 20 30 GGEDRN CC[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000158335828 1424229921 /nfs/dbraw/zinc/22/99/21/1424229921.db2.gz AYILNEDYBCRDQO-FQEVSTJZSA-N 0 0 392.488 3.230 20 30 GGEDRN N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CCn4ccnc4C3)s2)cc1 ZINC000158373837 1424238999 /nfs/dbraw/zinc/23/89/99/1424238999.db2.gz WAVAAGUIGRJOAI-CQSZACIVSA-N 0 0 396.501 3.100 20 30 GGEDRN C#CCNC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1-c1ccc(OCC)cc1 ZINC000158375385 1424240003 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GGEDRN COc1cc(F)cc(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1 ZINC000180051915 1429715271 /nfs/dbraw/zinc/71/52/71/1429715271.db2.gz RANCRHHKKSVCFK-UHFFFAOYSA-N 0 0 383.423 3.178 20 30 GGEDRN N#Cc1ccc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)cc1Cl ZINC000158610962 1424301426 /nfs/dbraw/zinc/30/14/26/1424301426.db2.gz GKRMHOPOGKABKL-HNNXBMFYSA-N 0 0 375.762 3.025 20 30 GGEDRN N#Cc1ccc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)cc1Cl ZINC000158611095 1424301477 /nfs/dbraw/zinc/30/14/77/1424301477.db2.gz GKRMHOPOGKABKL-OAHLLOKOSA-N 0 0 375.762 3.025 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)cc1 ZINC000158633928 1424306334 /nfs/dbraw/zinc/30/63/34/1424306334.db2.gz QWHXMKHNQIMONU-UHFFFAOYSA-N 0 0 387.443 3.310 20 30 GGEDRN C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824545036 1424306340 /nfs/dbraw/zinc/30/63/40/1424306340.db2.gz BBFKNEJEGFNJCX-MRXNPFEDSA-N 0 0 387.491 3.054 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN([C@H](C)c2cccnc2)CC1 ZINC000180053560 1429716120 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CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)CCc2ccccc2)cc1C#N ZINC000159940202 1424554600 /nfs/dbraw/zinc/55/46/00/1424554600.db2.gz JCOVKOWOSZSLRP-MRXNPFEDSA-N 0 0 379.460 3.421 20 30 GGEDRN C#CCOc1cccc(NC(=O)N2CC[C@@H](CN(CC)CC(F)(F)F)C2)c1 ZINC000159948163 1424555654 /nfs/dbraw/zinc/55/56/54/1424555654.db2.gz QECNKKMLOLCMQK-HNNXBMFYSA-N 0 0 383.414 3.437 20 30 GGEDRN C#CCOc1ccc(NC(=O)N2CC[C@H](CN(CC)CC(F)(F)F)C2)cc1 ZINC000159956178 1424556476 /nfs/dbraw/zinc/55/64/76/1424556476.db2.gz HZODYSAEDNUANO-OAHLLOKOSA-N 0 0 383.414 3.437 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1C#N ZINC000159962852 1424557434 /nfs/dbraw/zinc/55/74/34/1424557434.db2.gz SNNXHHVIOHLMQN-UHFFFAOYSA-N 0 0 390.443 3.124 20 30 GGEDRN CN(CCN1CCCC1=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000159974786 1424559157 /nfs/dbraw/zinc/55/91/57/1424559157.db2.gz VVLHLIVWOFNQTE-UHFFFAOYSA-N 0 0 378.432 3.437 20 30 GGEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)c1c(F)cc(F)cc1F ZINC000160016859 1424563041 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GGEDRN CN(C)C(=O)c1ccnc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 ZINC000163191388 1424956877 /nfs/dbraw/zinc/95/68/77/1424956877.db2.gz RWGDOJBSTPHHSS-UHFFFAOYSA-N 0 0 390.399 3.079 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)Nc2ccc(CCO)cc2)nnc1-c1ccco1 ZINC000163201210 1424957491 /nfs/dbraw/zinc/95/74/91/1424957491.db2.gz UATFDKLZGHOQTH-UHFFFAOYSA-N 0 0 398.488 3.380 20 30 GGEDRN Cc1ccc(CNC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)s1 ZINC000163222584 1424961923 /nfs/dbraw/zinc/96/19/23/1424961923.db2.gz HWBNINPPPHTXDQ-UHFFFAOYSA-N 0 0 382.470 3.307 20 30 GGEDRN C=C(C)Cn1c(SC[C@H](O)COc2ccccc2)nnc1-c1ccncc1 ZINC000163261711 1424968814 /nfs/dbraw/zinc/96/88/14/1424968814.db2.gz AEDVXZDAWSOCCC-QGZVFWFLSA-N 0 0 382.489 3.448 20 30 GGEDRN C#CCNC(=O)c1ccccc1NC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000163270239 1424970176 /nfs/dbraw/zinc/97/01/76/1424970176.db2.gz MICHUDXANKPYCK-UHFFFAOYSA-N 0 0 376.334 3.129 20 30 GGEDRN CCC(=O)c1cccc(S(=O)(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000163271788 1424970642 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20 30 GGEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)c(C)c3ncccc23)c1 ZINC000173121720 1426351877 /nfs/dbraw/zinc/35/18/77/1426351877.db2.gz YESCRXHONBRRNK-UHFFFAOYSA-N 0 0 393.468 3.015 20 30 GGEDRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1CCOC[C@H]1C#N ZINC000173126562 1426353141 /nfs/dbraw/zinc/35/31/41/1426353141.db2.gz OCQPFEAAUSYRMS-CQSZACIVSA-N 0 0 393.274 3.089 20 30 GGEDRN N#Cc1ccc(CN(C(=O)Nc2ccc(OCCC(N)=O)cc2)C2CC2)cc1 ZINC000173127255 1426353641 /nfs/dbraw/zinc/35/36/41/1426353641.db2.gz CRCBCKYYWLBWOJ-UHFFFAOYSA-N 0 0 378.432 3.009 20 30 GGEDRN COc1cc(C(=O)N2CCOC[C@@H]2C#N)ccc1OCc1ccc(Cl)cc1 ZINC000173129264 1426354328 /nfs/dbraw/zinc/35/43/28/1426354328.db2.gz HKCSEYBZEFSZBL-KRWDZBQOSA-N 0 0 386.835 3.292 20 30 GGEDRN C[S@@](=O)C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)c1ccccc1 ZINC000173144773 1426363867 /nfs/dbraw/zinc/36/38/67/1426363867.db2.gz TZBJNXCUVFRFGY-CCLHPLFOSA-N 0 0 384.501 3.343 20 30 GGEDRN C=CCc1ccc(OCC(=O)N[C@@H](C[S@](C)=O)c2ccccc2)c(OC)c1 ZINC000173146058 1426364569 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20 30 GGEDRN CCOCCCNC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000173934616 1426898120 /nfs/dbraw/zinc/89/81/20/1426898120.db2.gz DABJAGPEIYOPMN-OWCLPIDISA-N 0 0 383.275 3.349 20 30 GGEDRN C[C@H](Nc1ccc(CC(=O)N(C)C)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000173937037 1426899244 /nfs/dbraw/zinc/89/92/44/1426899244.db2.gz KVPOCQTZVAJJNS-INIZCTEOSA-N 0 0 396.466 3.204 20 30 GGEDRN CC(C)OCCCNC(=O)C(C#N)=C(O)C=Cc1cnc(C(C)(C)C)s1 ZINC000173940444 1426900661 /nfs/dbraw/zinc/90/06/61/1426900661.db2.gz GKKNPKCUYCAAGR-KIUWMYQTSA-N 0 0 377.510 3.094 20 30 GGEDRN CCCCCNC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000173943685 1426902259 /nfs/dbraw/zinc/90/22/59/1426902259.db2.gz SQLFRANUBBVAJR-WFASDCNBSA-N 0 0 381.270 3.232 20 30 GGEDRN CCCCCNC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000173943699 1426902509 /nfs/dbraw/zinc/90/25/09/1426902509.db2.gz SQLFRANUBBVAJR-SWLSCSKDSA-N 0 0 381.270 3.232 20 30 GGEDRN C[C@@H](C(=O)[C@@H](C#N)c1nc(N)nc(Nc2ccccc2)n1)c1cccc(F)c1 ZINC000173946446 1426904124 /nfs/dbraw/zinc/90/41/24/1426904124.db2.gz JVSALMZCLGXKLB-MLGOLLRUSA-N 0 0 376.395 3.316 20 30 GGEDRN CC[C@@](C)(NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1nc(C)cs1 ZINC000173949848 1426905713 /nfs/dbraw/zinc/90/57/13/1426905713.db2.gz HXRAOFPABWJWGS-HXUWFJFHSA-N 0 0 394.504 3.362 20 30 GGEDRN CC[C@H](C)C[C@H](C)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000173952956 1426907621 /nfs/dbraw/zinc/90/76/21/1426907621.db2.gz ZGMXLDAEOHBZBK-GJZGRUSLSA-N 0 0 385.468 3.463 20 30 GGEDRN C[C@@H](Oc1cccc(Br)c1)C(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000173961016 1426911344 /nfs/dbraw/zinc/91/13/44/1426911344.db2.gz DLSKPAVRXGCHKW-WBMJQRKESA-N 0 0 393.281 3.374 20 30 GGEDRN Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccnc(OCC(F)(F)F)c2)c1 ZINC000173963165 1426913287 /nfs/dbraw/zinc/91/32/87/1426913287.db2.gz YBYREQJQTUWPFM-CQSZACIVSA-N 0 0 377.322 3.292 20 30 GGEDRN CC(=O)N[C@H](CC(=O)[C@H](C#N)C(=O)Nc1cccc(C)c1)c1ccc(F)cc1F ZINC000173964707 1426913818 /nfs/dbraw/zinc/91/38/18/1426913818.db2.gz XZCIUMSAEXKHPQ-PKOBYXMFSA-N 0 0 399.397 3.188 20 30 GGEDRN CC(C)(C)C(=O)NCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)cc1 ZINC000173967827 1426914652 /nfs/dbraw/zinc/91/46/52/1426914652.db2.gz BDXPJEGQEHTSMP-SFHVURJKSA-N 0 0 377.444 3.310 20 30 GGEDRN CC(C)(C)C(=O)Nc1nc(CC(=O)[C@H](C#N)C(=O)Nc2ccccc2)cs1 ZINC000173968225 1426914696 /nfs/dbraw/zinc/91/46/96/1426914696.db2.gz OSIWIIYQJFOFRC-AWEZNQCLSA-N 0 0 384.461 3.018 20 30 GGEDRN CC(C)(C)C(=O)Nc1nc(CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2)cs1 ZINC000173968212 1426914765 /nfs/dbraw/zinc/91/47/65/1426914765.db2.gz OSIWIIYQJFOFRC-CQSZACIVSA-N 0 0 384.461 3.018 20 30 GGEDRN CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(C(=O)NC)c2)cc1 ZINC000173970148 1426915635 /nfs/dbraw/zinc/91/56/35/1426915635.db2.gz JKYQYOYWNADNLL-LJQANCHMSA-N 0 0 377.444 3.350 20 30 GGEDRN CCCNC(=O)CCCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000173976140 1426920826 /nfs/dbraw/zinc/92/08/26/1426920826.db2.gz XTOUSCSNELQJPB-GFCCVEGCSA-N 0 0 384.263 3.337 20 30 GGEDRN C#CCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000173980241 1426923813 /nfs/dbraw/zinc/92/38/13/1426923813.db2.gz XFSMNKBQHLJDBY-MRXNPFEDSA-N 0 0 382.803 3.322 20 30 GGEDRN CCOc1ccc(N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1CO ZINC000173980160 1426923941 /nfs/dbraw/zinc/92/39/41/1426923941.db2.gz LIRDLMPVNDNDMG-OAHLLOKOSA-N 0 0 385.439 3.464 20 30 GGEDRN CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)c2cccc(F)c2)cc1 ZINC000173980748 1426924889 /nfs/dbraw/zinc/92/48/89/1426924889.db2.gz BKMGLEUIOJLDJN-ACJLOTCBSA-N 0 0 382.391 3.453 20 30 GGEDRN Oc1ccc(/C=N/[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(O)c1O ZINC000173990276 1426929640 /nfs/dbraw/zinc/92/96/40/1426929640.db2.gz WBAQGMZBXVCCKV-HKXVIOCSSA-N 0 0 378.375 3.493 20 30 GGEDRN COc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@H](C)CCc2cccc(F)c2)cc1 ZINC000173996049 1426932656 /nfs/dbraw/zinc/93/26/56/1426932656.db2.gz IEDDOXQDEDUOHF-FOIQADDNSA-N 0 0 382.435 3.428 20 30 GGEDRN C=CCNC(=O)c1ccc(N[C@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)nc1 ZINC000173996904 1426933335 /nfs/dbraw/zinc/93/33/35/1426933335.db2.gz IJOAOAQPIXCXPS-CXAGYDPISA-N 0 0 380.448 3.280 20 30 GGEDRN C=CCNC(=O)c1ccc(N[C@@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)nc1 ZINC000173996933 1426933842 /nfs/dbraw/zinc/93/38/42/1426933842.db2.gz IJOAOAQPIXCXPS-SUMWQHHRSA-N 0 0 380.448 3.280 20 30 GGEDRN CC(C)(C)C(=O)NCc1ccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1 ZINC000174010310 1426941389 /nfs/dbraw/zinc/94/13/89/1426941389.db2.gz HYVABHMEMNMNED-KRWDZBQOSA-N 0 0 393.491 3.157 20 30 GGEDRN Cc1ccccc1-n1c(SCCCSCC#N)nnc1N1CCOCC1 ZINC000174009778 1426941561 /nfs/dbraw/zinc/94/15/61/1426941561.db2.gz IKMTWNMLZLHGEK-UHFFFAOYSA-N 0 0 389.550 3.151 20 30 GGEDRN C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccn1)c1ccc(Br)s1 ZINC000174011065 1426942004 /nfs/dbraw/zinc/94/20/04/1426942004.db2.gz HRUDEEYKBOLSJA-NXEZZACHSA-N 0 0 378.251 3.357 20 30 GGEDRN Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)ccc1NC(=O)CC(C)C ZINC000174012779 1426943348 /nfs/dbraw/zinc/94/33/48/1426943348.db2.gz PMUUGBQMHKMBFU-INIZCTEOSA-N 0 0 378.432 3.336 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)Oc1ccc(F)cc1 ZINC000174012320 1426943420 /nfs/dbraw/zinc/94/34/20/1426943420.db2.gz GZDVVDDVANVBQM-INIZCTEOSA-N 0 0 385.439 3.323 20 30 GGEDRN Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)ccc1NC(=O)CC(C)C ZINC000174012768 1426943496 /nfs/dbraw/zinc/94/34/96/1426943496.db2.gz PMUUGBQMHKMBFU-MRXNPFEDSA-N 0 0 378.432 3.336 20 30 GGEDRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCc1cc(C#N)ccc1F ZINC000174021633 1426949561 /nfs/dbraw/zinc/94/95/61/1426949561.db2.gz UBRHNGIVZFRGPZ-UHFFFAOYSA-N 0 0 377.423 3.499 20 30 GGEDRN C[C@@H](Nc1cc(F)cc(N2CCOCC2)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000174024191 1426951106 /nfs/dbraw/zinc/95/11/06/1426951106.db2.gz AEUJTVGKTVSRQB-QGZVFWFLSA-N 0 0 396.466 3.410 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1 ZINC000174025746 1426951647 /nfs/dbraw/zinc/95/16/47/1426951647.db2.gz JZDZEYQLCOPRBG-FQEVSTJZSA-N 0 0 385.414 3.492 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000174026902 1426953622 /nfs/dbraw/zinc/95/36/22/1426953622.db2.gz ZCFCBYICLMRKFM-INIZCTEOSA-N 0 0 381.329 3.249 20 30 GGEDRN N#Cc1cccc(OC2CCN(C(=O)NCc3cc(C#N)ccc3F)CC2)c1 ZINC000174029712 1426954345 /nfs/dbraw/zinc/95/43/45/1426954345.db2.gz OMOCDYQGEXXJSB-UHFFFAOYSA-N 0 0 378.407 3.322 20 30 GGEDRN CCc1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000174030330 1426954885 /nfs/dbraw/zinc/95/48/85/1426954885.db2.gz WLZCIICLCAUNFF-HXUWFJFHSA-N 0 0 378.432 3.180 20 30 GGEDRN CN(C)c1ccc(N2CCC(NC(=O)NCc3cc(C#N)ccc3F)CC2)cc1 ZINC000174030219 1426955230 /nfs/dbraw/zinc/95/52/30/1426955230.db2.gz FXAUEBDDIHFZKC-UHFFFAOYSA-N 0 0 395.482 3.232 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000174051962 1426974488 /nfs/dbraw/zinc/97/44/88/1426974488.db2.gz KSWRJZLRNDPNIC-HNNXBMFYSA-N 0 0 378.432 3.187 20 30 GGEDRN CC(C)C[C@H]1CC(=O)N(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)C1 ZINC000174074934 1426988611 /nfs/dbraw/zinc/98/86/11/1426988611.db2.gz VAXFCTFLQAFUGZ-SFHVURJKSA-N 0 0 391.519 3.081 20 30 GGEDRN CCN(C(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1)c1ccc(C#N)cc1 ZINC000174077585 1426990468 /nfs/dbraw/zinc/99/04/68/1426990468.db2.gz YYTZHPBPCTYBMD-UHFFFAOYSA-N 0 0 385.489 3.254 20 30 GGEDRN CCc1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1[N+](=O)[O-] ZINC000174083715 1426993418 /nfs/dbraw/zinc/99/34/18/1426993418.db2.gz LXFJLOMXTGXALL-UHFFFAOYSA-N 0 0 382.395 3.130 20 30 GGEDRN C=CCN(CC(=O)NC1(c2ccccc2)CCC1)S(=O)(=O)c1cccs1 ZINC000174085634 1426994877 /nfs/dbraw/zinc/99/48/77/1426994877.db2.gz KHTUAPVFSNXNFB-UHFFFAOYSA-N 0 0 390.530 3.120 20 30 GGEDRN COC(=O)[C@H]1CCC[C@H](C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)C1 ZINC000174087675 1426995498 /nfs/dbraw/zinc/99/54/98/1426995498.db2.gz WKARBYNZWVCFHX-HOTGVXAUSA-N 0 0 382.382 3.429 20 30 GGEDRN C[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)NCc1ccccc1 ZINC000174091043 1426996910 /nfs/dbraw/zinc/99/69/10/1426996910.db2.gz QMNZFOIVVOEYJP-LBPRGKRZSA-N 0 0 390.365 3.403 20 30 GGEDRN COc1cccc([C@H](O)CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000174097053 1427000848 /nfs/dbraw/zinc/00/08/48/1427000848.db2.gz NPJFCEJSDSHGIY-MRXNPFEDSA-N 0 0 379.338 3.441 20 30 GGEDRN CN(C)C(=O)CCCC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000174098570 1427001770 /nfs/dbraw/zinc/00/17/70/1427001770.db2.gz UZBFXIFEOGHKNX-UHFFFAOYSA-N 0 0 378.432 3.008 20 30 GGEDRN CC(C)CC(=O)NCCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000174102948 1427003287 /nfs/dbraw/zinc/00/32/87/1427003287.db2.gz HGIQQLFCWDVBMJ-MRXNPFEDSA-N 0 0 380.473 3.410 20 30 GGEDRN Cc1nc(CC(N)=NO[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cs1 ZINC000174113693 1427008061 /nfs/dbraw/zinc/00/80/61/1427008061.db2.gz HABHWTPQUXBRRS-VIFPVBQESA-N 0 0 386.399 3.329 20 30 GGEDRN CC(C)CO[C@@H](C)c1noc(CO/N=C/C(=O)Nc2ccc(F)cc2F)n1 ZINC000174114864 1427008786 /nfs/dbraw/zinc/00/87/86/1427008786.db2.gz HNJSUMYHWDGEHE-QPVSSGOPSA-N 0 0 382.367 3.223 20 30 GGEDRN CC(=O)c1ccc(NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 ZINC000174127642 1427013950 /nfs/dbraw/zinc/01/39/50/1427013950.db2.gz FIMLPDMEMASRDX-UHFFFAOYSA-N 0 0 378.432 3.366 20 30 GGEDRN CSC1(CNC(=O)c2occc2COc2cccc(C#N)c2)CCOCC1 ZINC000174149610 1427022139 /nfs/dbraw/zinc/02/21/39/1427022139.db2.gz NWEAFBVFGCGVNA-UHFFFAOYSA-N 0 0 386.473 3.372 20 30 GGEDRN Cc1nn(C)c(C)c1C[C@H](C)C(=O)OCCOc1c(C#N)cnc2ccccc21 ZINC000174164377 1427028580 /nfs/dbraw/zinc/02/85/80/1427028580.db2.gz WYKRTZGSSKTIKY-AWEZNQCLSA-N 0 0 392.459 3.258 20 30 GGEDRN Cc1cc(-n2cncn2)ccc1C(=O)OCCOc1c(C#N)cnc2ccccc21 ZINC000174164565 1427028679 /nfs/dbraw/zinc/02/86/79/1427028679.db2.gz UHRXBUFBDFDAMT-UHFFFAOYSA-N 0 0 399.410 3.231 20 30 GGEDRN C[C@H](Oc1cccc(Br)c1)C(=O)OCCNc1ncccc1C#N ZINC000174186303 1427038513 /nfs/dbraw/zinc/03/85/13/1427038513.db2.gz NXRQNVLHRORDOX-LBPRGKRZSA-N 0 0 390.237 3.138 20 30 GGEDRN CC(C)n1cc(Br)cc1C(=O)OCCNc1ncccc1C#N ZINC000174186335 1427038552 /nfs/dbraw/zinc/03/85/52/1427038552.db2.gz XJWBPPFMUAEODO-UHFFFAOYSA-N 0 0 377.242 3.367 20 30 GGEDRN C[C@@H](Nc1ccc2c(c1)NC(=O)CC2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000174188156 1427039912 /nfs/dbraw/zinc/03/99/12/1427039912.db2.gz QZMHPCXXQNFJOY-CQSZACIVSA-N 0 0 380.423 3.458 20 30 GGEDRN C=CCc1ccc(OC[C@@H](O)CN2C[C@H](C)C(=O)Nc3ccccc32)c(OC)c1 ZINC000174187835 1427040015 /nfs/dbraw/zinc/04/00/15/1427040015.db2.gz AJBCOCCHAGBGJI-WMZOPIPTSA-N 0 0 396.487 3.258 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)CN(CC(=O)N(C)C)c2ccccc2)c1C ZINC000174196414 1427044833 /nfs/dbraw/zinc/04/48/33/1427044833.db2.gz IIGDSADUPRBBPO-UHFFFAOYSA-N 0 0 392.503 3.145 20 30 GGEDRN CCc1cnc(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)s1 ZINC000174200900 1427047039 /nfs/dbraw/zinc/04/70/39/1427047039.db2.gz PRGGQNNKYUBBDK-UHFFFAOYSA-N 0 0 395.492 3.099 20 30 GGEDRN CC#CCOC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl ZINC000174210208 1427052642 /nfs/dbraw/zinc/05/26/42/1427052642.db2.gz DYMNISSSBYMHHV-UHFFFAOYSA-N 0 0 377.849 3.345 20 30 GGEDRN CCc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000174213168 1427053783 /nfs/dbraw/zinc/05/37/83/1427053783.db2.gz PRQIUYDLLYXDNI-UHFFFAOYSA-N 0 0 396.878 3.061 20 30 GGEDRN CCc1cnc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)s1 ZINC000174219204 1427056710 /nfs/dbraw/zinc/05/67/10/1427056710.db2.gz JJQNCEUDXAOUQO-UHFFFAOYSA-N 0 0 392.488 3.479 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)c1 ZINC000174227478 1427059853 /nfs/dbraw/zinc/05/98/53/1427059853.db2.gz ADYOBIAISDIIED-UTKZUKDTSA-N 0 0 398.528 3.417 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)c3cc(Oc4ccccc4)ccn3)CC2)nc1 ZINC000174242057 1427065420 /nfs/dbraw/zinc/06/54/20/1427065420.db2.gz SJFIYYUIUHMHEG-UHFFFAOYSA-N 0 0 385.427 3.103 20 30 GGEDRN Cc1nncn1CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000174267429 1427077115 /nfs/dbraw/zinc/07/71/15/1427077115.db2.gz GDAHWBIQAAKSFW-UHFFFAOYSA-N 0 0 377.473 3.181 20 30 GGEDRN C[C@@H](Nc1cccc(N2CCCNC2=O)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000174280316 1427082496 /nfs/dbraw/zinc/08/24/96/1427082496.db2.gz ZVCOZIJGQBNZEA-QGZVFWFLSA-N 0 0 391.475 3.354 20 30 GGEDRN C#CCCOc1ccc(CNc2ccc(CC(=O)N3CCOCC3)cc2)cc1 ZINC000174289151 1427086969 /nfs/dbraw/zinc/08/69/69/1427086969.db2.gz DSAFSUZGEJZZHV-UHFFFAOYSA-N 0 0 378.472 3.102 20 30 GGEDRN C#CCCOc1ccc(CNc2ccc(OC)c(OCC(=O)NC3CC3)c2)cc1 ZINC000174291129 1427087813 /nfs/dbraw/zinc/08/78/13/1427087813.db2.gz BDDKOCNKXPWCTF-UHFFFAOYSA-N 0 0 394.471 3.367 20 30 GGEDRN C=C(Br)CNC(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1 ZINC000174313156 1427096664 /nfs/dbraw/zinc/09/66/64/1427096664.db2.gz IVUGAHGEZQNFTK-UHFFFAOYSA-N 0 0 395.644 3.021 20 30 GGEDRN COc1cccc(-c2noc([C@H](C)N[C@H](C)C(=O)Nc3ccccc3C#N)n2)c1 ZINC000174328124 1427104380 /nfs/dbraw/zinc/10/43/80/1427104380.db2.gz IHXVAGKVBGFNMC-KGLIPLIRSA-N 0 0 391.431 3.295 20 30 GGEDRN C[C@H](N[C@@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)Nc1ccccc1C#N ZINC000174337158 1427108348 /nfs/dbraw/zinc/10/83/48/1427108348.db2.gz SLADXNZJPSORAQ-STQMWFEESA-N 0 0 379.395 3.425 20 30 GGEDRN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1nc(-c2cccc(F)c2)no1 ZINC000174339258 1427109632 /nfs/dbraw/zinc/10/96/32/1427109632.db2.gz UGFSPVNOBQSFDZ-QWHCGFSZSA-N 0 0 379.395 3.425 20 30 GGEDRN CN(CC(=O)NCc1cc(C#N)ccc1F)c1ccc(C(F)(F)F)cc1C=O ZINC000174338781 1427109648 /nfs/dbraw/zinc/10/96/48/1427109648.db2.gz IJVUTTZMDVEQPM-UHFFFAOYSA-N 0 0 393.340 3.281 20 30 GGEDRN N#CCN1CCN(C(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)CC1 ZINC000174343017 1427111422 /nfs/dbraw/zinc/11/14/22/1427111422.db2.gz RAEJCIKOZHEWCV-LJQANCHMSA-N 0 0 387.455 3.466 20 30 GGEDRN N#Cc1ccc(SCC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000174344488 1427112167 /nfs/dbraw/zinc/11/21/67/1427112167.db2.gz AKMVHELRKHMUQB-UHFFFAOYSA-N 0 0 380.448 3.334 20 30 GGEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCn1cnnc1C(C)C ZINC000174346611 1427113286 /nfs/dbraw/zinc/11/32/86/1427113286.db2.gz JIOMNFQWULXWJU-UHFFFAOYSA-N 0 0 382.386 3.415 20 30 GGEDRN C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)NC(=O)NC1CC1 ZINC000174350015 1427115339 /nfs/dbraw/zinc/11/53/39/1427115339.db2.gz AZUOCDAYRCMWGD-LBPRGKRZSA-N 0 0 382.395 3.278 20 30 GGEDRN N#CCN1CCN(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CC1 ZINC000174352547 1427115948 /nfs/dbraw/zinc/11/59/48/1427115948.db2.gz JZAWAWLJFYUEBG-UHFFFAOYSA-N 0 0 377.416 3.298 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000174355664 1427117606 /nfs/dbraw/zinc/11/76/06/1427117606.db2.gz WYYYNJKFFZIUEG-HXUWFJFHSA-N 0 0 394.519 3.437 20 30 GGEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)NC(=O)CCN2C ZINC000174361721 1427119929 /nfs/dbraw/zinc/11/99/29/1427119929.db2.gz PYZMDPZYQQMYDB-UHFFFAOYSA-N 0 0 376.460 3.387 20 30 GGEDRN Cc1cc(C(=O)NC[C@@H](C)CC2(C)OCCO2)c(C)n1-c1ccc(C#N)cc1 ZINC000174364998 1427121622 /nfs/dbraw/zinc/12/16/22/1427121622.db2.gz VDHOENIDWJYCLS-HNNXBMFYSA-N 0 0 381.476 3.485 20 30 GGEDRN O=C(CCNC(=O)C1N=CC=CC1=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000174371237 1427124950 /nfs/dbraw/zinc/12/49/50/1427124950.db2.gz SYSOAOCYTGKDFS-ZCXUNETKSA-N 0 0 382.445 3.029 20 30 GGEDRN CN1C(=O)C[C@H](C(=O)NCc2cc(C#N)ccc2F)[C@H]1c1cccc(Cl)c1 ZINC000174397779 1427137835 /nfs/dbraw/zinc/13/78/35/1427137835.db2.gz ULWUGOFPMYFIHK-QFBILLFUSA-N 0 0 385.826 3.187 20 30 GGEDRN COc1ccc(CSCC(=O)NCc2cc(C#N)ccc2F)cc1[N+](=O)[O-] ZINC000174400815 1427140804 /nfs/dbraw/zinc/14/08/04/1427140804.db2.gz FXFSCNXXXDDPON-UHFFFAOYSA-N 0 0 389.408 3.164 20 30 GGEDRN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NCc1cc(C#N)ccc1F ZINC000174403926 1427142638 /nfs/dbraw/zinc/14/26/38/1427142638.db2.gz KPVQZGPGYPFRSP-LJQANCHMSA-N 0 0 399.491 3.174 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c1 ZINC000174404816 1427143198 /nfs/dbraw/zinc/14/31/98/1427143198.db2.gz YVBJSYILNPVAKV-MRXNPFEDSA-N 0 0 389.839 3.470 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)c1 ZINC000174405585 1427143474 /nfs/dbraw/zinc/14/34/74/1427143474.db2.gz CAVFJILGFPUPDS-UHFFFAOYSA-N 0 0 389.312 3.227 20 30 GGEDRN Cc1ccc(-c2noc(CCC(=O)NCc3cc(C#N)ccc3F)n2)cc1F ZINC000174406280 1427143876 /nfs/dbraw/zinc/14/38/76/1427143876.db2.gz JWBSQYIRPXALMD-UHFFFAOYSA-N 0 0 382.370 3.444 20 30 GGEDRN CCS[C@H]1CC[C@@H](N(C)C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 ZINC000174411433 1427145759 /nfs/dbraw/zinc/14/57/59/1427145759.db2.gz BIPXEOZQQFXQFD-SJORKVTESA-N 0 0 385.537 3.283 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000174411360 1427145795 /nfs/dbraw/zinc/14/57/95/1427145795.db2.gz PUPOQVIZUFFGGT-KKSFZXQISA-N 0 0 380.444 3.243 20 30 GGEDRN COc1ccc(C)cc1NC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000174410203 1427145805 /nfs/dbraw/zinc/14/58/05/1427145805.db2.gz FUNUFUZBWDGBGH-UHFFFAOYSA-N 0 0 380.448 3.480 20 30 GGEDRN COc1cc(C(=O)NCc2cc(C#N)ccc2F)cc(OC)c1OC(F)F ZINC000174412921 1427146528 /nfs/dbraw/zinc/14/65/28/1427146528.db2.gz KVIHLUVVSJHLHH-UHFFFAOYSA-N 0 0 380.322 3.246 20 30 GGEDRN CC(C)c1nc(C(=O)NCc2cc(C#N)ccc2F)nn1-c1cccc(F)c1 ZINC000174412522 1427146763 /nfs/dbraw/zinc/14/67/63/1427146763.db2.gz QUCKTRFQIREFNO-UHFFFAOYSA-N 0 0 381.386 3.471 20 30 GGEDRN Cc1ccc(-c2n[nH]c(=S)n2CC(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000174414948 1427147504 /nfs/dbraw/zinc/14/75/04/1427147504.db2.gz YQHJZIVJVINPJZ-UHFFFAOYSA-N 0 0 381.436 3.243 20 30 GGEDRN Cc1ccc(-n2cnnc2SCC(=O)NCc2cc(C#N)ccc2F)cc1C ZINC000174418734 1427149542 /nfs/dbraw/zinc/14/95/42/1427149542.db2.gz JFFRGUAVUSYXDB-UHFFFAOYSA-N 0 0 395.463 3.303 20 30 GGEDRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3cc(C#N)ccc3F)n2)n1 ZINC000174421780 1427150179 /nfs/dbraw/zinc/15/01/79/1427150179.db2.gz NDRYNJHNYSGQKO-UHFFFAOYSA-N 0 0 383.814 3.478 20 30 GGEDRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cc(C#N)ccc2F)c1 ZINC000174420838 1427150324 /nfs/dbraw/zinc/15/03/24/1427150324.db2.gz JVLAQAIRODRUQY-UHFFFAOYSA-N 0 0 380.828 3.074 20 30 GGEDRN Cc1c(C(=O)NCc2cc(C#N)ccc2F)nnn1-c1cccc2cnccc21 ZINC000174420734 1427150462 /nfs/dbraw/zinc/15/04/62/1427150462.db2.gz FGIXSHCBTDARGD-UHFFFAOYSA-N 0 0 386.390 3.065 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000174424462 1427150912 /nfs/dbraw/zinc/15/09/12/1427150912.db2.gz YHPISWBACRQYSJ-UHFFFAOYSA-N 0 0 395.415 3.408 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c1 ZINC000174422759 1427150989 /nfs/dbraw/zinc/15/09/89/1427150989.db2.gz XQGVHQYCGDIEOY-UHFFFAOYSA-N 0 0 385.402 3.420 20 30 GGEDRN C#C[C@H](C)OC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000174425002 1427151413 /nfs/dbraw/zinc/15/14/13/1427151413.db2.gz RAEDCSYXVXPURW-KBPBESRZSA-N 0 0 378.266 3.175 20 30 GGEDRN C[C@@H]1CN(Cc2ccc(C(=O)NCc3cc(C#N)ccc3F)cc2)C[C@@H](C)O1 ZINC000174428173 1427152279 /nfs/dbraw/zinc/15/22/79/1427152279.db2.gz RPCWZOSQFAKKKN-HZPDHXFCSA-N 0 0 381.451 3.237 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(F)c(Br)c2)c1 ZINC000174427865 1427152400 /nfs/dbraw/zinc/15/24/00/1427152400.db2.gz GSWQDTWYJFCQHL-UHFFFAOYSA-N 0 0 390.212 3.330 20 30 GGEDRN CCO[C@H](C)c1nc(CN2CCN(C(=O)c3ccc(C#N)cc3)CC2)cs1 ZINC000174430497 1427152847 /nfs/dbraw/zinc/15/28/47/1427152847.db2.gz YXSRHEKKTUFIKO-OAHLLOKOSA-N 0 0 384.505 3.070 20 30 GGEDRN CCO[C@@H](C)c1nc(CN2CCN(C(=O)c3ccc(C#N)cc3)CC2)cs1 ZINC000174430483 1427152893 /nfs/dbraw/zinc/15/28/93/1427152893.db2.gz YXSRHEKKTUFIKO-HNNXBMFYSA-N 0 0 384.505 3.070 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccccc2CC(F)(F)F)cc1 ZINC000174436246 1427155506 /nfs/dbraw/zinc/15/55/06/1427155506.db2.gz RPWDJWFUMHTFOC-UHFFFAOYSA-N 0 0 396.390 3.217 20 30 GGEDRN CCCCN1C(=O)c2ccc(C(=O)N(CCC#N)CC(F)(F)F)cc2C1=O ZINC000174440702 1427156704 /nfs/dbraw/zinc/15/67/04/1427156704.db2.gz ZLVXDJPSGHDIFW-UHFFFAOYSA-N 0 0 381.354 3.001 20 30 GGEDRN C[C@@H]1CN(Cc2ccc(C(=O)N(CCC#N)CC(F)(F)F)cc2)C[C@H](C)O1 ZINC000174441220 1427157696 /nfs/dbraw/zinc/15/76/96/1427157696.db2.gz WOJRPZPZVXDHFS-GASCZTMLSA-N 0 0 383.414 3.214 20 30 GGEDRN N#CCCN(CC(F)(F)F)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000174448296 1427160325 /nfs/dbraw/zinc/16/03/25/1427160325.db2.gz IAWBXTPEABBFIE-UHFFFAOYSA-N 0 0 384.358 3.116 20 30 GGEDRN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(CCC#N)CC(F)(F)F ZINC000174448903 1427160691 /nfs/dbraw/zinc/16/06/91/1427160691.db2.gz FIRKCKKEVJYKNB-CQSZACIVSA-N 0 0 389.805 3.399 20 30 GGEDRN CC1(C)[C@@H]2OCCC[C@@H]2[C@@H]1OC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000174488038 1427178986 /nfs/dbraw/zinc/17/89/86/1427178986.db2.gz LJXGJSIUBWZJIQ-WMQCIHAUSA-N 0 0 384.476 3.460 20 30 GGEDRN CN(C)C(=O)CCCNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000174494493 1427181185 /nfs/dbraw/zinc/18/11/85/1427181185.db2.gz RDEISEVLDOYAOQ-UHFFFAOYSA-N 0 0 384.411 3.480 20 30 GGEDRN CNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000174494703 1427181887 /nfs/dbraw/zinc/18/18/87/1427181887.db2.gz BPARUFOYRWKJIF-HNNXBMFYSA-N 0 0 396.422 3.480 20 30 GGEDRN CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000174494691 1427182013 /nfs/dbraw/zinc/18/20/13/1427182013.db2.gz BPARUFOYRWKJIF-OAHLLOKOSA-N 0 0 396.422 3.480 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)NCCNC(=O)C2CC2)cc1F ZINC000174496580 1427182626 /nfs/dbraw/zinc/18/26/26/1427182626.db2.gz RRYKSBLJZBYWLJ-UHFFFAOYSA-N 0 0 382.395 3.137 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCCCNC2=O)cc1F ZINC000174497891 1427183954 /nfs/dbraw/zinc/18/39/54/1427183954.db2.gz GBJKZYURPXMWAE-INIZCTEOSA-N 0 0 382.395 3.280 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCCCNC2=O)cc1F ZINC000174497878 1427183975 /nfs/dbraw/zinc/18/39/75/1427183975.db2.gz GBJKZYURPXMWAE-MRXNPFEDSA-N 0 0 382.395 3.280 20 30 GGEDRN C[S@@](=O)CCCNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000174496988 1427184007 /nfs/dbraw/zinc/18/40/07/1427184007.db2.gz GSHWEIVHBPVXFT-AREMUKBSSA-N 0 0 375.425 3.380 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)NCCc1nc2cc(F)ccc2[nH]1 ZINC000174505956 1427190372 /nfs/dbraw/zinc/19/03/72/1427190372.db2.gz TWYVWGRHDGHHTE-UHFFFAOYSA-N 0 0 396.422 3.100 20 30 GGEDRN Cc1cc(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000174510567 1427193072 /nfs/dbraw/zinc/19/30/72/1427193072.db2.gz AWWYTQZANVEYKE-QGZVFWFLSA-N 0 0 378.476 3.095 20 30 GGEDRN COc1cc(CN(C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)ccc1O ZINC000174537947 1427209613 /nfs/dbraw/zinc/20/96/13/1427209613.db2.gz RSWTWTUGRVIFML-UHFFFAOYSA-N 0 0 381.476 3.396 20 30 GGEDRN CC(C)(C)N1C[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)CC1=O ZINC000174541782 1427213108 /nfs/dbraw/zinc/21/31/08/1427213108.db2.gz VCRIFJRESZOXRT-IBGZPJMESA-N 0 0 391.471 3.266 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)CCn2c(-c3cccs3)n[nH]c2=S)c1 ZINC000174547740 1427216525 /nfs/dbraw/zinc/21/65/25/1427216525.db2.gz VDSZMXGBVRYYOB-UHFFFAOYSA-N 0 0 387.465 3.386 20 30 GGEDRN Cc1cccc(C2N=NC(=S)N2CCC(=O)NCc2cc(C#N)ccc2F)c1 ZINC000174547875 1427216823 /nfs/dbraw/zinc/21/68/23/1427216823.db2.gz TUSIXRYWCPAMEW-UHFFFAOYSA-N 0 0 395.463 3.260 20 30 GGEDRN CC(C)(C)N1C[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1=O ZINC000174549538 1427218393 /nfs/dbraw/zinc/21/83/93/1427218393.db2.gz STYRIKSHNNHGBD-IBGZPJMESA-N 0 0 391.471 3.266 20 30 GGEDRN CN(C)C(=O)CCCC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000174551653 1427219397 /nfs/dbraw/zinc/21/93/97/1427219397.db2.gz MRCCVDHQTDLFPN-FQEVSTJZSA-N 0 0 379.460 3.205 20 30 GGEDRN CC(C)n1cnnc1[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000174554303 1427221094 /nfs/dbraw/zinc/22/10/94/1427221094.db2.gz PGHNMRGTMYNXOZ-HNNXBMFYSA-N 0 0 386.887 3.202 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCCCc2ccccc2)cc1C(F)(F)F ZINC000174553498 1427221172 /nfs/dbraw/zinc/22/11/72/1427221172.db2.gz UQDRRLZMTOSHHF-UHFFFAOYSA-N 0 0 375.350 3.265 20 30 GGEDRN CN1c2cc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)ccc2OCC1=O ZINC000174563585 1427225776 /nfs/dbraw/zinc/22/57/76/1427225776.db2.gz VHLTWOYBROPVDT-UHFFFAOYSA-N 0 0 376.416 3.110 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000174565764 1427227709 /nfs/dbraw/zinc/22/77/09/1427227709.db2.gz HHYWMMUBMMMKBF-UHFFFAOYSA-N 0 0 394.324 3.111 20 30 GGEDRN Cc1cc(Cl)ccc1NC(=O)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000174571360 1427232141 /nfs/dbraw/zinc/23/21/41/1427232141.db2.gz XYZGIZVHQLOAEG-FQEVSTJZSA-N 0 0 382.895 3.469 20 30 GGEDRN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCC(F)F)c1 ZINC000174572824 1427232775 /nfs/dbraw/zinc/23/27/75/1427232775.db2.gz IJWFEUBMVHIVTP-UHFFFAOYSA-N 0 0 375.400 3.284 20 30 GGEDRN Cc1c(Cl)cccc1NC(=O)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000174572266 1427232839 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3.221 20 30 GGEDRN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC2(CC#N)CC2)ccc1Cl ZINC000174740799 1427342586 /nfs/dbraw/zinc/34/25/86/1427342586.db2.gz RRSJFCGZWYLVRJ-UHFFFAOYSA-N 0 0 384.885 3.221 20 30 GGEDRN N#CCC1(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC1 ZINC000174745343 1427345053 /nfs/dbraw/zinc/34/50/53/1427345053.db2.gz LLRBFNCXVQRNBX-AWEZNQCLSA-N 0 0 378.375 3.130 20 30 GGEDRN CCN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@@H](C)c1cc2ccccc2o1 ZINC000174749693 1427347098 /nfs/dbraw/zinc/34/70/98/1427347098.db2.gz YWZMRBCTELAQRW-WBOBJJNYSA-N 0 0 381.432 3.259 20 30 GGEDRN CCN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@H](C)c1cc2ccccc2o1 ZINC000174749703 1427347216 /nfs/dbraw/zinc/34/72/16/1427347216.db2.gz YWZMRBCTELAQRW-JTKIUVGSSA-N 0 0 381.432 3.259 20 30 GGEDRN N#CCC1(COC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000174750434 1427347793 /nfs/dbraw/zinc/34/77/93/1427347793.db2.gz ZCCJTTKUOTWUGY-UHFFFAOYSA-N 0 0 388.420 3.477 20 30 GGEDRN Cc1sc2nc(CS[C@@H](C)C(=O)OCC3(CC#N)CC3)[nH]c(=O)c2c1C ZINC000174752218 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GGEDRN C=CCSc1ccccc1NC(=O)CN(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174788410 1427368499 /nfs/dbraw/zinc/36/84/99/1427368499.db2.gz CFBSCRRPVARWNY-WMZOPIPTSA-N 0 0 396.578 3.191 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)NCCCOc2ccc(Cl)cc2C)c1C#N ZINC000174789661 1427369759 /nfs/dbraw/zinc/36/97/59/1427369759.db2.gz CICMWVBILBHPNC-UHFFFAOYSA-N 0 0 385.851 3.352 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c1C#N ZINC000174793109 1427370978 /nfs/dbraw/zinc/37/09/78/1427370978.db2.gz QUBURGMDDYJPPX-XLIONFOSSA-N 0 0 377.444 3.089 20 30 GGEDRN C[C@@H](c1ccccn1)N(C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174801793 1427376850 /nfs/dbraw/zinc/37/68/50/1427376850.db2.gz ZBVPWRQPNCPPIH-NSHDSACASA-N 0 0 376.338 3.130 20 30 GGEDRN C[C@H](c1cccnc1)N(C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174803773 1427378512 /nfs/dbraw/zinc/37/85/12/1427378512.db2.gz IYVYMZYXPGSJJO-LLVKDONJSA-N 0 0 376.338 3.130 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H](C)c1cccc(OCC)c1 ZINC000174805677 1427379395 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COc1ccc(CNC(=O)C(=O)Nc2cccc(C)c2C#N)c(C(F)(F)F)c1 ZINC000174824057 1427387895 /nfs/dbraw/zinc/38/78/95/1427387895.db2.gz YQCUVQJQIYQESC-UHFFFAOYSA-N 0 0 391.349 3.149 20 30 GGEDRN Cc1cccc([C@H]2CCCCN2C(=O)NCCNC(=O)C2N=CC=CC2=O)c1C ZINC000174829550 1427390747 /nfs/dbraw/zinc/39/07/47/1427390747.db2.gz UCXNCKBCOIAZEH-HMDOMZECSA-N 0 0 396.491 3.066 20 30 GGEDRN Cc1cc([C@@](C)(O)CNC(=O)NCCSCc2ccccc2C#N)c(C)o1 ZINC000174829607 1427390890 /nfs/dbraw/zinc/39/08/90/1427390890.db2.gz YACVBNMYFHTLGL-FQEVSTJZSA-N 0 0 387.505 3.208 20 30 GGEDRN N#CCCN(Cc1ccccn1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000174835202 1427395306 /nfs/dbraw/zinc/39/53/06/1427395306.db2.gz RHLQRGNSYSAQNZ-QGZVFWFLSA-N 0 0 379.382 3.256 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cnn(CC(F)F)c2)ccc1OC ZINC000174836013 1427395993 /nfs/dbraw/zinc/39/59/93/1427395993.db2.gz SRZFIBZIINOGNX-CQSZACIVSA-N 0 0 393.394 3.159 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2CCO[C@H](c3ccccc3Cl)C2)c1C#N ZINC000174836780 1427396720 /nfs/dbraw/zinc/39/67/20/1427396720.db2.gz BOFQZUOUABWLKB-SFHVURJKSA-N 0 0 383.835 3.059 20 30 GGEDRN N#CCCCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000174838524 1427397374 /nfs/dbraw/zinc/39/73/74/1427397374.db2.gz SUOUYBTUYHBYAE-UHFFFAOYSA-N 0 0 380.379 3.238 20 30 GGEDRN COc1ccc([C@@H](NC(=O)CN(CCC#N)Cc2ccccn2)C2CC2)cc1 ZINC000174839020 1427397810 /nfs/dbraw/zinc/39/78/10/1427397810.db2.gz QLLBNISSBMWEOL-QFIPXVFZSA-N 0 0 378.476 3.073 20 30 GGEDRN COc1cc(OC)c(NC(=O)CN(CCC#N)Cc2ccccn2)cc1Cl ZINC000174838868 1427397877 /nfs/dbraw/zinc/39/78/77/1427397877.db2.gz KWZYPIPOGRMVNM-UHFFFAOYSA-N 0 0 388.855 3.107 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000174839284 1427397897 /nfs/dbraw/zinc/39/78/97/1427397897.db2.gz YXVIZVITCBKVGU-FQEVSTJZSA-N 0 0 380.419 3.434 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)CN(CCC#N)Cc2ccccn2)c1C ZINC000174839189 1427398194 /nfs/dbraw/zinc/39/81/94/1427398194.db2.gz GHAAIURQBXTJCV-UHFFFAOYSA-N 0 0 375.476 3.361 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCc2cc(F)ccc2F)cc1C(F)(F)F ZINC000174841037 1427399400 /nfs/dbraw/zinc/39/94/00/1427399400.db2.gz WFLPFZWFHKILBC-UHFFFAOYSA-N 0 0 383.276 3.110 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCc3ccccc32)cc1C(F)(F)F ZINC000174857111 1427410941 /nfs/dbraw/zinc/41/09/41/1427410941.db2.gz AXNJUIYQUCFVCA-AWEZNQCLSA-N 0 0 387.361 3.362 20 30 GGEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000174864730 1427416343 /nfs/dbraw/zinc/41/63/43/1427416343.db2.gz RWRFZWZBWYEEKN-UHFFFAOYSA-N 0 0 398.507 3.140 20 30 GGEDRN CCNC(=O)N1CCc2ccc(NC(=O)N(C)Cc3cccc(C#N)c3)cc21 ZINC000174866007 1427417211 /nfs/dbraw/zinc/41/72/11/1427417211.db2.gz UNMVMZLHCHCWLF-UHFFFAOYSA-N 0 0 377.448 3.314 20 30 GGEDRN CC(=O)N1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc21 ZINC000174866810 1427417996 /nfs/dbraw/zinc/41/79/96/1427417996.db2.gz AGMPRAGQYIRQGF-UHFFFAOYSA-N 0 0 382.851 3.413 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)CCc1ccc(Cl)cc1 ZINC000174873203 1427420303 /nfs/dbraw/zinc/42/03/03/1427420303.db2.gz BQZLAVJKEZBYCX-UHFFFAOYSA-N 0 0 388.826 3.131 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)c1 ZINC000174881169 1427424894 /nfs/dbraw/zinc/42/48/94/1427424894.db2.gz DQHDHRCUFKZNST-UHFFFAOYSA-N 0 0 394.328 3.311 20 30 GGEDRN COCC[C@](C)(O)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000174894231 1427431284 /nfs/dbraw/zinc/43/12/84/1427431284.db2.gz YPBHFXXEXONSHM-NRFANRHFSA-N 0 0 384.501 3.368 20 30 GGEDRN C=CC[C@@H](C)NC(=O)C(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2 ZINC000174893679 1427431527 /nfs/dbraw/zinc/43/15/27/1427431527.db2.gz PEGCYIVPMRSTRX-GFCCVEGCSA-N 0 0 378.494 3.213 20 30 GGEDRN C#CCOc1ccc(F)cc1NCC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000174894750 1427432276 /nfs/dbraw/zinc/43/22/76/1427432276.db2.gz UJMFWAQJHQCWJS-CQSZACIVSA-N 0 0 386.423 3.144 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)NCc2nc(C)c(C)s2)ccc1OC ZINC000174895891 1427433004 /nfs/dbraw/zinc/43/30/04/1427433004.db2.gz BVEJQYRZYMTFBI-HNNXBMFYSA-N 0 0 388.493 3.449 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)NCc2cc(C#N)ccc2F)ccc1OC ZINC000174896049 1427433057 /nfs/dbraw/zinc/43/30/57/1427433057.db2.gz OXPWMXYIAMJKRK-KRWDZBQOSA-N 0 0 396.422 3.386 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)NCc2nc(C)c(C)s2)ccc1OC ZINC000174895906 1427433123 /nfs/dbraw/zinc/43/31/23/1427433123.db2.gz BVEJQYRZYMTFBI-OAHLLOKOSA-N 0 0 388.493 3.449 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)c1C#N ZINC000174912393 1427442670 /nfs/dbraw/zinc/44/26/70/1427442670.db2.gz GTAACBYXZUJBRY-HXUWFJFHSA-N 0 0 376.460 3.235 20 30 GGEDRN CCc1ccc(CCNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000174917515 1427445004 /nfs/dbraw/zinc/44/50/04/1427445004.db2.gz VRWGJPBPKADONV-UHFFFAOYSA-N 0 0 389.377 3.437 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1ccc2ccccc2c1 ZINC000174926626 1427449167 /nfs/dbraw/zinc/44/91/67/1427449167.db2.gz JRZPGURWNHMJGS-UHFFFAOYSA-N 0 0 376.387 3.246 20 30 GGEDRN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cc(C(C)(C)C)n[nH]2)C1=O ZINC000174942952 1427458034 /nfs/dbraw/zinc/45/80/34/1427458034.db2.gz CHWAAGABYGMWGP-LJQANCHMSA-N 0 0 377.489 3.023 20 30 GGEDRN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cc(C(C)(C)C)n[nH]2)C1=O ZINC000174942967 1427458114 /nfs/dbraw/zinc/45/81/14/1427458114.db2.gz CHWAAGABYGMWGP-IBGZPJMESA-N 0 0 377.489 3.023 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H](CC)c1ccc(F)cc1F ZINC000174947924 1427460910 /nfs/dbraw/zinc/46/09/10/1427460910.db2.gz QNDIUKZGVPKCFU-INIZCTEOSA-N 0 0 390.361 3.322 20 30 GGEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)c1cccc2[nH]ccc21 ZINC000174964857 1427469676 /nfs/dbraw/zinc/46/96/76/1427469676.db2.gz SRHRJPZGETYZPN-UHFFFAOYSA-N 0 0 384.443 3.170 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NC2(c3cccc(F)c3)CC2)cc1C(F)(F)F ZINC000174970718 1427472409 /nfs/dbraw/zinc/47/24/09/1427472409.db2.gz HCJGVRYHNBDKAZ-UHFFFAOYSA-N 0 0 391.324 3.460 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)N[C@@H]3CCCC3(C)C)c(C#N)c2N)cc1 ZINC000174978987 1427476355 /nfs/dbraw/zinc/47/63/55/1427476355.db2.gz IMTQPIHMMJIPHD-LJQANCHMSA-N 0 0 394.523 3.445 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377.400 3.496 20 30 GGEDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000175402441 1427733477 /nfs/dbraw/zinc/73/34/77/1427733477.db2.gz CPKUWZHFHMQQPD-XGCWNURASA-N 0 0 383.517 3.364 20 30 GGEDRN N#Cc1c[nH]c(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 ZINC000175408936 1427738373 /nfs/dbraw/zinc/73/83/73/1427738373.db2.gz MYASRXPSWBWSMI-UHFFFAOYSA-N 0 0 377.366 3.383 20 30 GGEDRN C[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccc(-n2cccn2)cc1 ZINC000175411988 1427739997 /nfs/dbraw/zinc/73/99/97/1427739997.db2.gz YDKZLJQEZJTGLC-OAHLLOKOSA-N 0 0 397.442 3.003 20 30 GGEDRN CCc1cc(N2CCC(NC(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)ncn1 ZINC000175417933 1427743592 /nfs/dbraw/zinc/74/35/92/1427743592.db2.gz MYRMYGVLKGOSEQ-UHFFFAOYSA-N 0 0 395.511 3.258 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000175430966 1427751563 /nfs/dbraw/zinc/75/15/63/1427751563.db2.gz YALSMEMHBGXBPF-CYBMUJFWSA-N 0 0 393.834 3.213 20 30 GGEDRN N#CCOc1ccccc1C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000175433687 1427753155 /nfs/dbraw/zinc/75/31/55/1427753155.db2.gz YVLSFIUYAXTZGB-QGZVFWFLSA-N 0 0 389.455 3.345 20 30 GGEDRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(C#N)c1 ZINC000175443641 1427757094 /nfs/dbraw/zinc/75/70/94/1427757094.db2.gz BQIGQWAWIJEFMW-ZWKOTPCHSA-N 0 0 386.496 3.441 20 30 GGEDRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(C#N)c1 ZINC000175443666 1427757209 /nfs/dbraw/zinc/75/72/09/1427757209.db2.gz BQIGQWAWIJEFMW-QZTJIDSGSA-N 0 0 386.496 3.441 20 30 GGEDRN CN(C)c1ccc(N2CCC(NC(=O)NCc3cccc(C#N)c3)CC2)cc1 ZINC000175444337 1427757780 /nfs/dbraw/zinc/75/77/80/1427757780.db2.gz JSGBESGGECFAAB-UHFFFAOYSA-N 0 0 377.492 3.092 20 30 GGEDRN N#Cc1cccc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000175444624 1427757806 /nfs/dbraw/zinc/75/78/06/1427757806.db2.gz KFJOOKYDFSWFSJ-UHFFFAOYSA-N 0 0 380.404 3.219 20 30 GGEDRN N#Cc1ccccc1-c1ccccc1C(=O)NCCn1c(=O)[nH]c2ccccc21 ZINC000175444827 1427758592 /nfs/dbraw/zinc/75/85/92/1427758592.db2.gz UVKPTQWISDUISW-UHFFFAOYSA-N 0 0 382.423 3.298 20 30 GGEDRN N#Cc1ccccc1OCC(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000175447488 1427759531 /nfs/dbraw/zinc/75/95/31/1427759531.db2.gz GYEITVGLAUDOPZ-SFHVURJKSA-N 0 0 389.455 3.080 20 30 GGEDRN N#CC1(NC(=O)CN2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)CCCCC1 ZINC000175451775 1427761652 /nfs/dbraw/zinc/76/16/52/1427761652.db2.gz PRWMMTHTZHIBPX-KRWDZBQOSA-N 0 0 395.425 3.421 20 30 GGEDRN C[C@@H]1CCCN1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 ZINC000175462266 1427767600 /nfs/dbraw/zinc/76/76/00/1427767600.db2.gz FNSIPESNQNAXCE-GALDBLJUSA-N 0 0 392.525 3.296 20 30 GGEDRN CC[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)Oc1cccc(F)c1 ZINC000175476027 1427775866 /nfs/dbraw/zinc/77/58/66/1427775866.db2.gz WVAWGOHQSHAUNN-GOSISDBHSA-N 0 0 393.422 3.053 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)Nc3ccc(OC4CCC4)c(F)c3)CC2)nc1 ZINC000175481167 1427779270 /nfs/dbraw/zinc/77/92/70/1427779270.db2.gz YCSRFXSWCCPRES-UHFFFAOYSA-N 0 0 395.438 3.378 20 30 GGEDRN CC(=O)NC1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000175482845 1427779902 /nfs/dbraw/zinc/77/99/02/1427779902.db2.gz CGWZAFCWHXTORZ-UHFFFAOYSA-N 0 0 379.485 3.450 20 30 GGEDRN C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000175498813 1427791201 /nfs/dbraw/zinc/79/12/01/1427791201.db2.gz LJPSRPTVGJUSGW-OAHLLOKOSA-N 0 0 385.431 3.382 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000175504930 1427794201 /nfs/dbraw/zinc/79/42/01/1427794201.db2.gz RTTBCNWPVMZXKJ-ROUUACIJSA-N 0 0 383.521 3.037 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000175504947 1427794227 /nfs/dbraw/zinc/79/42/27/1427794227.db2.gz RTTBCNWPVMZXKJ-ZWKOTPCHSA-N 0 0 383.521 3.037 20 30 GGEDRN N#Cc1ccccc1Sc1ccc(C(=O)NCC(=O)Nc2cccnc2)cc1 ZINC000175511356 1427798212 /nfs/dbraw/zinc/79/82/12/1427798212.db2.gz BPQRAYYXYWTFNB-UHFFFAOYSA-N 0 0 388.452 3.473 20 30 GGEDRN N#Cc1ccc(-c2nnc(CN3CCC[C@@H](C(=O)Nc4ccccc4)C3)o2)cc1 ZINC000175518102 1427801102 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CC1(C)CN([C@@H](CNC(=O)c2cc(C#N)c[nH]2)c2ccc(Cl)cc2)CCO1 ZINC000175568583 1427817750 /nfs/dbraw/zinc/81/77/50/1427817750.db2.gz WUBBYDXKPPFDJQ-SFHVURJKSA-N 0 0 386.883 3.122 20 30 GGEDRN N#CCSc1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)c1 ZINC000175570058 1427818007 /nfs/dbraw/zinc/81/80/07/1427818007.db2.gz AZBRUEYAAKSJLL-FQEVSTJZSA-N 0 0 381.501 3.106 20 30 GGEDRN CNC(=O)[C@@H](C)CN(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000175585744 1427822657 /nfs/dbraw/zinc/82/26/57/1427822657.db2.gz QPMBJCKZGPCHBJ-ZDUSSCGKSA-N 0 0 385.851 3.458 20 30 GGEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCO[C@H](c2ccco2)C1 ZINC000175589590 1427823994 /nfs/dbraw/zinc/82/39/94/1427823994.db2.gz OZGPCRFBIIXVFU-KRWDZBQOSA-N 0 0 378.350 3.433 20 30 GGEDRN CNC(=O)[C@@H](C)CN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000175610231 1427831104 /nfs/dbraw/zinc/83/11/04/1427831104.db2.gz OQKKRMIXKZZZBO-HNNXBMFYSA-N 0 0 381.501 3.305 20 30 GGEDRN C[S@](=O)c1ccc(CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000175616998 1427833257 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C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000180946740 1430129515 /nfs/dbraw/zinc/12/95/15/1430129515.db2.gz DZNFOVLKSKWMQO-LLVKDONJSA-N 0 0 385.386 3.463 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 ZINC000180948642 1430130866 /nfs/dbraw/zinc/13/08/66/1430130866.db2.gz GRMBSAAZLDUMML-CQSZACIVSA-N 0 0 379.464 3.160 20 30 GGEDRN C=CCc1ccc(OCC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)c(OC)c1 ZINC000180950171 1430131398 /nfs/dbraw/zinc/13/13/98/1430131398.db2.gz JAWQDWJCQVUFEU-SFHVURJKSA-N 0 0 394.471 3.004 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000180961076 1430137134 /nfs/dbraw/zinc/13/71/34/1430137134.db2.gz YJJYOCPIDJETER-LBPRGKRZSA-N 0 0 377.872 3.032 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000180971970 1430144410 /nfs/dbraw/zinc/14/44/10/1430144410.db2.gz DRAVFEKBMHCWNL-UHFFFAOYSA-N 0 0 380.404 3.244 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000180974437 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UMADBJFMCVKAEJ-BONVTDFDSA-N 0 0 388.411 3.373 20 30 GGEDRN CC[C@H](C)[C@@H](NC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1)C(=O)OC ZINC000181045501 1430183800 /nfs/dbraw/zinc/18/38/00/1430183800.db2.gz UMADBJFMCVKAEJ-ZUZCIYMTSA-N 0 0 388.411 3.373 20 30 GGEDRN C=CCn1c2ncn(Cc3nnc(C4CC4)n3C3CC3)c(=O)c2sc1=S ZINC000181053255 1430187732 /nfs/dbraw/zinc/18/77/32/1430187732.db2.gz ICJDEQOKTGPLGB-UHFFFAOYSA-N 0 0 386.506 3.027 20 30 GGEDRN C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(S(=O)(=O)NC)c1C ZINC000181062278 1430193502 /nfs/dbraw/zinc/19/35/02/1430193502.db2.gz QEQVVMXTVLKKFO-UHFFFAOYSA-N 0 0 391.468 3.262 20 30 GGEDRN N#Cc1ccc(SCC(=O)N2CCC3(CC2)OCCO3)cc1C(F)(F)F ZINC000181065034 1430194682 /nfs/dbraw/zinc/19/46/82/1430194682.db2.gz QPFBEBBUVZRRMR-UHFFFAOYSA-N 0 0 386.395 3.035 20 30 GGEDRN Cc1sc2ncc(C(=O)OC[C@H](C#N)Cc3ccc(F)cc3)c(=O)n2c1C ZINC000181111130 1430214360 /nfs/dbraw/zinc/21/43/60/1430214360.db2.gz KUMBCJBSSCNATA-AWEZNQCLSA-N 0 0 385.420 3.051 20 30 GGEDRN CCCNc1ccc(C#N)cc1NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000181120748 1430217195 /nfs/dbraw/zinc/21/71/95/1430217195.db2.gz AHVJVFYLLMKHAQ-ZWKOTPCHSA-N 0 0 396.472 3.023 20 30 GGEDRN COCc1nnc(-c2cccc(C(=O)OC[C@@H](C#N)Cc3ccccc3)c2)o1 ZINC000181121574 1430217555 /nfs/dbraw/zinc/21/75/55/1430217555.db2.gz LBTDOLDUJCAVFW-MRXNPFEDSA-N 0 0 377.400 3.422 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)Nc1ccnn1Cc1ccccn1 ZINC000181137228 1430222820 /nfs/dbraw/zinc/22/28/20/1430222820.db2.gz HYHCMJKYRDNMQK-UHFFFAOYSA-N 0 0 392.488 3.253 20 30 GGEDRN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1c[nH]c(C#N)c1 ZINC000181142157 1430224796 /nfs/dbraw/zinc/22/47/96/1430224796.db2.gz XNXXCDZJTJAXMB-UHFFFAOYSA-N 0 0 384.745 3.269 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ccc(N2CCOC2=O)cc1 ZINC000181148936 1430227224 /nfs/dbraw/zinc/22/72/24/1430227224.db2.gz JALMQMYCYVCIEL-UHFFFAOYSA-N 0 0 381.436 3.393 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H]2CC23CCCCC3)c1C ZINC000181169599 1430235264 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3.479 20 30 GGEDRN C[C@@H](Sc1nnc(C(F)F)n1C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000181237678 1430253891 /nfs/dbraw/zinc/25/38/91/1430253891.db2.gz IPJBVUNXPFSVFJ-SNVBAGLBSA-N 0 0 383.399 3.319 20 30 GGEDRN N#CCCSc1ccccc1NC(=O)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000181244988 1430255840 /nfs/dbraw/zinc/25/58/40/1430255840.db2.gz FDHUJBCMAGWOJH-UHFFFAOYSA-N 0 0 397.382 3.028 20 30 GGEDRN N#Cc1cccc(NC(=O)C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1 ZINC000181253298 1430256960 /nfs/dbraw/zinc/25/69/60/1430256960.db2.gz CJHZFEGRKYWSPO-UHFFFAOYSA-N 0 0 399.332 3.340 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CC=C(c3cccc(C)c3)CC2)cc1 ZINC000181262179 1430258374 /nfs/dbraw/zinc/25/83/74/1430258374.db2.gz SYAXTYOYBYUEGS-UHFFFAOYSA-N 0 0 396.512 3.389 20 30 GGEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000181261874 1430258434 /nfs/dbraw/zinc/25/84/34/1430258434.db2.gz QMMUZLXEVFLOBE-QGZVFWFLSA-N 0 0 389.455 3.400 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)CSc2nnc(C(F)F)n2C)c1C ZINC000181264911 1430258808 /nfs/dbraw/zinc/25/88/08/1430258808.db2.gz HCHYAQNSDGYETL-UHFFFAOYSA-N 0 0 379.436 3.409 20 30 GGEDRN CCCC[C@H](NC(=O)c1c[nH]c(C#N)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000181269375 1430259833 /nfs/dbraw/zinc/25/98/33/1430259833.db2.gz YFUXOMMJLREASL-FQEVSTJZSA-N 0 0 393.491 3.414 20 30 GGEDRN N#Cc1cc(C(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c[nH]1 ZINC000181277194 1430261633 /nfs/dbraw/zinc/26/16/33/1430261633.db2.gz RYBWYIHYFRXMLX-UHFFFAOYSA-N 0 0 395.463 3.107 20 30 GGEDRN COCc1nnc(-c2cccc(C(=O)OC[C@H](C#N)Cc3cccs3)c2)o1 ZINC000181285186 1430262654 /nfs/dbraw/zinc/26/26/54/1430262654.db2.gz LRYZVHOXLJWGOB-ZDUSSCGKSA-N 0 0 383.429 3.484 20 30 GGEDRN COCCOc1ccc(C#N)cc1N[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000181341542 1430277313 /nfs/dbraw/zinc/27/73/13/1430277313.db2.gz FXACGSFUXRTSOM-IAGOWNOFSA-N 0 0 381.476 3.304 20 30 GGEDRN COCCOc1ccc(C#N)cc1N[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000181342278 1430277701 /nfs/dbraw/zinc/27/77/01/1430277701.db2.gz VWDIQUPUJXKEEL-GFCCVEGCSA-N 0 0 375.375 3.301 20 30 GGEDRN COCCOc1ccc(C#N)cc1N[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000181343549 1430278105 /nfs/dbraw/zinc/27/81/05/1430278105.db2.gz UVFSXPMEVVYWKP-AWEZNQCLSA-N 0 0 385.489 3.030 20 30 GGEDRN CC(C)(C)OC(=O)N1CCOC[C@H]1c1noc(/C=C/c2ccccc2C#N)n1 ZINC000181345671 1430278655 /nfs/dbraw/zinc/27/86/55/1430278655.db2.gz BSLBMGFWMKUZHP-FDMDGMSGSA-N 0 0 382.420 3.420 20 30 GGEDRN COCCOc1ccc(C#N)cc1N[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000181346494 1430278904 /nfs/dbraw/zinc/27/89/04/1430278904.db2.gz QACYCNRKYWQFOH-KZZKVKKMSA-N 0 0 397.519 3.469 20 30 GGEDRN COCCOc1ccc(C#N)cc1N[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000181347041 1430279102 /nfs/dbraw/zinc/27/91/02/1430279102.db2.gz UPGHNRGWPONILC-OAHLLOKOSA-N 0 0 385.439 3.182 20 30 GGEDRN COCCOc1ccc(C#N)cc1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000181349760 1430279488 /nfs/dbraw/zinc/27/94/88/1430279488.db2.gz WRWHCNHLPDJSHM-LJQANCHMSA-N 0 0 390.443 3.063 20 30 GGEDRN COCCOc1ccc(C#N)cc1N[C@H](C)C(=O)NCc1ccccc1Cl ZINC000181349440 1430279521 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CC[C@@H](CC#N)NC(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1 ZINC000183953999 1430818283 /nfs/dbraw/zinc/81/82/83/1430818283.db2.gz SBQLAPXEDLEANE-KRWDZBQOSA-N 0 0 382.464 3.017 20 30 GGEDRN CCOc1cc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000183958713 1430818712 /nfs/dbraw/zinc/81/87/12/1430818712.db2.gz KZEFBVFHRGYMEX-OAQYLSRUSA-N 0 0 395.415 3.183 20 30 GGEDRN CC(=O)N[C@H](CC(=O)N[C@]1(C#N)CCc2ccccc2C1)c1ccc(C)cc1 ZINC000183959072 1430818716 /nfs/dbraw/zinc/81/87/16/1430818716.db2.gz ACDCFBUDXXVSBM-FYYLOGMGSA-N 0 0 375.472 3.130 20 30 GGEDRN COc1ccc(C(=O)N2CCN([C@H](C)c3cccc(C#N)c3)CC2)cc1OC ZINC000183960507 1430819070 /nfs/dbraw/zinc/81/90/70/1430819070.db2.gz KIQUZQBGXSAFLG-MRXNPFEDSA-N 0 0 379.460 3.094 20 30 GGEDRN N#C[C@]1(NC(=O)CCc2nnc(-c3ccsc3)o2)CCc2ccccc2C1 ZINC000183961360 1430819379 /nfs/dbraw/zinc/81/93/79/1430819379.db2.gz BYAVTCIVEGMPHP-FQEVSTJZSA-N 0 0 378.457 3.298 20 30 GGEDRN COc1ccc(Cn2cc(C(=O)N[C@]3(C#N)CCc4ccccc4C3)cn2)cc1 ZINC000183963876 1430819567 /nfs/dbraw/zinc/81/95/67/1430819567.db2.gz KXELPLOQGUOOIV-HSZRJFAPSA-N 0 0 386.455 3.121 20 30 GGEDRN COCCOCc1cc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)ccc1F ZINC000183965039 1430819606 /nfs/dbraw/zinc/81/96/06/1430819606.db2.gz YMJGFSLYJCSPNQ-QFIPXVFZSA-N 0 0 382.435 3.170 20 30 GGEDRN N#CCC[C@H](NC(=O)Nc1ccccc1CN1CCNC1=O)c1ccccc1 ZINC000183973551 1430821252 /nfs/dbraw/zinc/82/12/52/1430821252.db2.gz WANPEABYIHUKRK-SFHVURJKSA-N 0 0 377.448 3.378 20 30 GGEDRN N#C[C@@]1(NC(=O)c2cn(-c3ccccc3Cl)nn2)CCc2ccccc2C1 ZINC000183975630 1430821558 /nfs/dbraw/zinc/82/15/58/1430821558.db2.gz XFOFIMZLVQZDFB-HXUWFJFHSA-N 0 0 377.835 3.102 20 30 GGEDRN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N[C@]2(C#N)CCc3ccccc3C2)C1 ZINC000183977975 1430821967 /nfs/dbraw/zinc/82/19/67/1430821967.db2.gz UNUKWZGAJWOSQI-FDDCHVKYSA-N 0 0 396.535 3.022 20 30 GGEDRN Cc1cccc(NC(=O)CSCC(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1 ZINC000183992649 1430825226 /nfs/dbraw/zinc/82/52/26/1430825226.db2.gz BGGPFFNFQAQLBV-QFIPXVFZSA-N 0 0 393.512 3.234 20 30 GGEDRN N#C[C@]1(NC(=O)c2ccc(OCC(F)(F)F)nc2)CCc2ccccc2C1 ZINC000183993554 1430825369 /nfs/dbraw/zinc/82/53/69/1430825369.db2.gz IWCPYZYOMAXSQY-SFHVURJKSA-N 0 0 375.350 3.204 20 30 GGEDRN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N[C@@]1(C#N)CCc2ccccc2C1 ZINC000183993822 1430825386 /nfs/dbraw/zinc/82/53/86/1430825386.db2.gz WOVKWDKPMPDUBC-VWNXMTODSA-N 0 0 387.483 3.090 20 30 GGEDRN Cc1cc2nc(C)c(CCC(=O)N[C@@]3(C#N)CCc4ccccc4C3)c(C)n2n1 ZINC000183993988 1430825454 /nfs/dbraw/zinc/82/54/54/1430825454.db2.gz XAGUEOJPFMSFHQ-QHCPKHFHSA-N 0 0 387.487 3.155 20 30 GGEDRN CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)o1 ZINC000184000831 1430826543 /nfs/dbraw/zinc/82/65/43/1430826543.db2.gz IMXCQKKBKILGJF-JOCHJYFZSA-N 0 0 395.459 3.485 20 30 GGEDRN Cc1c(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000183999322 1430826561 /nfs/dbraw/zinc/82/65/61/1430826561.db2.gz UZHQCCSCVBXFMR-FQEVSTJZSA-N 0 0 394.387 3.301 20 30 GGEDRN CC(=O)N[C@@H](CC(=O)N[C@@]1(C#N)CCc2ccccc2C1)c1ccc(F)cc1F ZINC000184000916 1430826784 /nfs/dbraw/zinc/82/67/84/1430826784.db2.gz YKKNWFHDARMYAW-UNMCSNQZSA-N 0 0 397.425 3.100 20 30 GGEDRN N#C[C@]1(NC(=O)CCc2nc(-c3ccsc3)no2)CCc2ccccc2C1 ZINC000184007378 1430828128 /nfs/dbraw/zinc/82/81/28/1430828128.db2.gz IPBLKJOUWQVCSW-FQEVSTJZSA-N 0 0 378.457 3.298 20 30 GGEDRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000184013769 1430829035 /nfs/dbraw/zinc/82/90/35/1430829035.db2.gz DLOPGTGEHLCNSI-LJQANCHMSA-N 0 0 390.409 3.172 20 30 GGEDRN N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CC(=O)N(C4CC4)C3)cc2)c1 ZINC000184019212 1430829731 /nfs/dbraw/zinc/82/97/31/1430829731.db2.gz OOHVWDXALGFEHH-MRXNPFEDSA-N 0 0 390.443 3.483 20 30 GGEDRN N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)cc2)c1 ZINC000184019193 1430829896 /nfs/dbraw/zinc/82/98/96/1430829896.db2.gz OOHVWDXALGFEHH-INIZCTEOSA-N 0 0 390.443 3.483 20 30 GGEDRN CCn1nnnc1-c1cccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)c1 ZINC000184033281 1430832143 /nfs/dbraw/zinc/83/21/43/1430832143.db2.gz FDEKNAMQUUEWPA-CYBMUJFWSA-N 0 0 377.408 3.295 20 30 GGEDRN Cc1cc2c(cc1C)[C@H](C(=O)N1CCCN(Cc3ccc(C#N)cc3)CC1)CO2 ZINC000184036608 1430832431 /nfs/dbraw/zinc/83/24/31/1430832431.db2.gz JMXPLRMAAJRVKD-JOCHJYFZSA-N 0 0 389.499 3.386 20 30 GGEDRN N#Cc1cccc(OCCCCC(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)c1 ZINC000184046185 1430833795 /nfs/dbraw/zinc/83/37/95/1430833795.db2.gz PSMMULVGMUEMMC-WOJBJXKFSA-N 0 0 384.476 3.094 20 30 GGEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000184117444 1430843649 /nfs/dbraw/zinc/84/36/49/1430843649.db2.gz ZCPJPBOYHPATLG-UHFFFAOYSA-N 0 0 391.349 3.370 20 30 GGEDRN CCCN(CCc1cccs1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000184129126 1430845306 /nfs/dbraw/zinc/84/53/06/1430845306.db2.gz HQOBKEQTFYJJLQ-UHFFFAOYSA-N 0 0 390.530 3.016 20 30 GGEDRN CCOC(=O)c1sc2nc(CN(C)C)nc(N[C@H](CC)CC#N)c2c1C ZINC000184153262 1430847851 /nfs/dbraw/zinc/84/78/51/1430847851.db2.gz FBAIIEKQLJEGBP-GFCCVEGCSA-N 0 0 375.498 3.342 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C ZINC000184160542 1430848806 /nfs/dbraw/zinc/84/88/06/1430848806.db2.gz CQMWFWAQUPIVME-AWEZNQCLSA-N 0 0 392.381 3.499 20 30 GGEDRN COc1cc(/C=C/C(=O)N2CCCCC[C@H]2c2ncon2)ccc1OCC#N ZINC000184160082 1430848816 /nfs/dbraw/zinc/84/88/16/1430848816.db2.gz BZTDXODXYLKVTQ-DYLHUKMJSA-N 0 0 382.420 3.138 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1 ZINC000184170245 1430850350 /nfs/dbraw/zinc/85/03/50/1430850350.db2.gz KZICWIJOZJVKJR-UHFFFAOYSA-N 0 0 390.443 3.261 20 30 GGEDRN C#CCN(CCCS(=O)(=O)c1ccccc1OC)Cc1ccc(F)cc1 ZINC000184191766 1430853969 /nfs/dbraw/zinc/85/39/69/1430853969.db2.gz KJOKDTGONBIMSF-UHFFFAOYSA-N 0 0 375.465 3.134 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000184220010 1430858024 /nfs/dbraw/zinc/85/80/24/1430858024.db2.gz NEVWLHHCRKRFLC-UHFFFAOYSA-N 0 0 380.448 3.304 20 30 GGEDRN Cc1nn(C)c2ncc(S(=O)(=O)NC3(C#N)CCC(C(C)(C)C)CC3)cc12 ZINC000184235925 1430860323 /nfs/dbraw/zinc/86/03/23/1430860323.db2.gz JNONJECGRXXTKJ-UHFFFAOYSA-N 0 0 389.525 3.054 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000184235947 1430860431 /nfs/dbraw/zinc/86/04/31/1430860431.db2.gz PDVZXLYTIZBOOB-UHFFFAOYSA-N 0 0 375.494 3.344 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[S@@](C)=O ZINC000184253678 1430862690 /nfs/dbraw/zinc/86/26/90/1430862690.db2.gz IKQZOTHWIWFHKU-HHHXNRCGSA-N 0 0 385.489 3.117 20 30 GGEDRN COc1cc(CN2CCN([C@H](C#N)c3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000184261434 1430864072 /nfs/dbraw/zinc/86/40/72/1430864072.db2.gz CTENAUFSIGBBDL-LJQANCHMSA-N 0 0 384.411 3.125 20 30 GGEDRN C[C@H]1CCc2ccccc2N1CCC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184279533 1430867038 /nfs/dbraw/zinc/86/70/38/1430867038.db2.gz YJDJDONSDWKZGX-INIZCTEOSA-N 0 0 386.459 3.309 20 30 GGEDRN C=CCCCCCN(C)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000184305449 1430871295 /nfs/dbraw/zinc/87/12/95/1430871295.db2.gz PFLRIEYBSYBROA-UHFFFAOYSA-N 0 0 379.526 3.114 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000184306175 1430871376 /nfs/dbraw/zinc/87/13/76/1430871376.db2.gz BJTUGPRYAYBKAU-NSHDSACASA-N 0 0 394.357 3.020 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000184310537 1430871695 /nfs/dbraw/zinc/87/16/95/1430871695.db2.gz MWENMZIOBJYCGH-MRXNPFEDSA-N 0 0 375.432 3.203 20 30 GGEDRN CC#CCCCC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000184309571 1430871877 /nfs/dbraw/zinc/87/18/77/1430871877.db2.gz IHUWWUKDNJAHGI-UHFFFAOYSA-N 0 0 386.883 3.228 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(CN2CCCC2=O)c1 ZINC000184315228 1430872292 /nfs/dbraw/zinc/87/22/92/1430872292.db2.gz OFEOGVIAKQZZDF-MRXNPFEDSA-N 0 0 392.459 3.422 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000184316477 1430872534 /nfs/dbraw/zinc/87/25/34/1430872534.db2.gz UIWJZYYOWATAQB-OAHLLOKOSA-N 0 0 378.432 3.426 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000184330940 1430873907 /nfs/dbraw/zinc/87/39/07/1430873907.db2.gz LOFPANDJLHPTSB-HNNXBMFYSA-N 0 0 399.882 3.376 20 30 GGEDRN CN(C)[C@H](CNS(=O)(=O)c1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000184331453 1430873994 /nfs/dbraw/zinc/87/39/94/1430873994.db2.gz JYUFJXXJBRLIHK-MRXNPFEDSA-N 0 0 397.422 3.158 20 30 GGEDRN CN(C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000184331998 1430874224 /nfs/dbraw/zinc/87/42/24/1430874224.db2.gz VOCYGQMJTKKWRW-QGZVFWFLSA-N 0 0 397.422 3.158 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000184334130 1430874340 /nfs/dbraw/zinc/87/43/40/1430874340.db2.gz JAWSHKPCHGZWDA-IRXDYDNUSA-N 0 0 398.507 3.480 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000184333553 1430874403 /nfs/dbraw/zinc/87/44/03/1430874403.db2.gz IQCKDJSQRWNRGS-OAHLLOKOSA-N 0 0 393.422 3.342 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000184334194 1430874443 /nfs/dbraw/zinc/87/44/43/1430874443.db2.gz DUXNAIQDJKSBIX-MRXNPFEDSA-N 0 0 398.818 3.252 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000184354120 1430877052 /nfs/dbraw/zinc/87/70/52/1430877052.db2.gz SQKHXDQYIRGDCR-LBPRGKRZSA-N 0 0 388.374 3.358 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000184354574 1430877357 /nfs/dbraw/zinc/87/73/57/1430877357.db2.gz OYJCVVSZCRPPBL-YLJYHZDGSA-N 0 0 394.475 3.172 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000184392385 1430882296 /nfs/dbraw/zinc/88/22/96/1430882296.db2.gz CCQSDZMGVVQHRW-HNNXBMFYSA-N 0 0 399.454 3.257 20 30 GGEDRN CC[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1nc(C)cs1 ZINC000184410340 1430884600 /nfs/dbraw/zinc/88/46/00/1430884600.db2.gz ZLQKZPCKJJTFEC-MRXNPFEDSA-N 0 0 380.477 3.188 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)c1c(Cl)n(C)nc1C(C)C ZINC000184427066 1430886553 /nfs/dbraw/zinc/88/65/53/1430886553.db2.gz MVHSLIDAKVGGAR-UHFFFAOYSA-N 0 0 376.844 3.346 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000184429871 1430886826 /nfs/dbraw/zinc/88/68/26/1430886826.db2.gz QNEDTJMWXBXQCH-UHFFFAOYSA-N 0 0 375.768 3.397 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)Nc2nc(Cc3ccccc3)cs2)c1 ZINC000184429177 1430886876 /nfs/dbraw/zinc/88/68/76/1430886876.db2.gz BZWOXTCVJBGAOU-UHFFFAOYSA-N 0 0 390.468 3.475 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000184432839 1430887342 /nfs/dbraw/zinc/88/73/42/1430887342.db2.gz UWTUHMHTDLXXFG-UHFFFAOYSA-N 0 0 380.379 3.161 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000184443778 1430888489 /nfs/dbraw/zinc/88/84/89/1430888489.db2.gz UFQRTCTYLVNCDM-HNNXBMFYSA-N 0 0 386.835 3.427 20 30 GGEDRN C=C(Br)CNC(=O)C(=O)Nc1sc(-c2ccccc2)nc1C ZINC000184446058 1430888631 /nfs/dbraw/zinc/88/86/31/1430888631.db2.gz DQJWNNNESQLDFI-UHFFFAOYSA-N 0 0 380.267 3.082 20 30 GGEDRN Cc1oc(NC(=O)[C@H](C)N2CCC[C@H](CC(=O)OC(C)C)C2)c(C#N)c1C ZINC000184445244 1430888748 /nfs/dbraw/zinc/88/87/48/1430888748.db2.gz OAXXHXUXWMRLSL-GOEBONIOSA-N 0 0 375.469 3.149 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)Cc1ccccc1OC(F)F ZINC000184444078 1430888766 /nfs/dbraw/zinc/88/87/66/1430888766.db2.gz OMYHIPDBRRLPBC-UHFFFAOYSA-N 0 0 376.359 3.366 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)c1cn(C)nc1-c1ccccc1 ZINC000184448345 1430888887 /nfs/dbraw/zinc/88/88/87/1430888887.db2.gz BGPWGGKAFZSUJI-UHFFFAOYSA-N 0 0 376.416 3.236 20 30 GGEDRN Cc1cnc([C@@H](C)CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)s1 ZINC000184450855 1430889486 /nfs/dbraw/zinc/88/94/86/1430889486.db2.gz IENCGABYXFZYRW-ZDUSSCGKSA-N 0 0 387.484 3.098 20 30 GGEDRN N#Cc1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3N)cc2)c1 ZINC000184452903 1430889758 /nfs/dbraw/zinc/88/97/58/1430889758.db2.gz CEGAWKKQBVCZOR-UHFFFAOYSA-N 0 0 375.344 3.488 20 30 GGEDRN Cc1nc(-c2ccccc2)sc1NC(=O)NCCCc1[nH]nc(N)c1C#N ZINC000184468763 1430891150 /nfs/dbraw/zinc/89/11/50/1430891150.db2.gz UILGOUQDDKUICF-UHFFFAOYSA-N 0 0 381.465 3.050 20 30 GGEDRN C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccccc1-n1nccc1C ZINC000184471817 1430891450 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COCCOc1ccc(C#N)cc1NC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000184613941 1430919596 /nfs/dbraw/zinc/91/95/96/1430919596.db2.gz JYNSXAUTWCVVRA-UHFFFAOYSA-N 0 0 398.438 3.077 20 30 GGEDRN Cc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1-c1nnnn1C1CC1 ZINC000184613783 1430919711 /nfs/dbraw/zinc/91/97/11/1430919711.db2.gz OVENODZSNDGOSG-UHFFFAOYSA-N 0 0 380.358 3.386 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)NCCc1c(F)cccc1F ZINC000184617736 1430920427 /nfs/dbraw/zinc/92/04/27/1430920427.db2.gz JAYUELZCXQKJFU-UHFFFAOYSA-N 0 0 375.375 3.226 20 30 GGEDRN C#CCOc1ccccc1NCC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000184634758 1430925478 /nfs/dbraw/zinc/92/54/78/1430925478.db2.gz GJYNHIJFHOOBAT-UHFFFAOYSA-N 0 0 392.377 3.368 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)N(C)[C@@H](C)c1sc(CC)nc1C ZINC000184649723 1430930024 /nfs/dbraw/zinc/93/00/24/1430930024.db2.gz VNAPHEPEJZTMME-AWEZNQCLSA-N 0 0 385.489 3.184 20 30 GGEDRN Cn1cnc(-c2cccc(NC(=O)NCCSCc3ccccc3C#N)c2)n1 ZINC000184665283 1430935438 /nfs/dbraw/zinc/93/54/38/1430935438.db2.gz 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COc1ccc(CN2CCN(Cc3ccncc3)CC2)cc1OCCCC#N ZINC000184714863 1430950812 /nfs/dbraw/zinc/95/08/12/1430950812.db2.gz RWRSQUIPLQRLLZ-UHFFFAOYSA-N 0 0 380.492 3.091 20 30 GGEDRN Cc1cc(CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)ccc1Cl ZINC000184719780 1430952139 /nfs/dbraw/zinc/95/21/39/1430952139.db2.gz ZCINLBJJVQTDGQ-UHFFFAOYSA-N 0 0 381.867 3.429 20 30 GGEDRN COc1cc(F)c([C@@H](C)NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1OC ZINC000184719796 1430952632 /nfs/dbraw/zinc/95/26/32/1430952632.db2.gz OGQNONFZAFIUKP-SNVBAGLBSA-N 0 0 398.843 3.407 20 30 GGEDRN CC(C)C[C@H]1OCCC[C@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000184747176 1430964008 /nfs/dbraw/zinc/96/40/08/1430964008.db2.gz DNSNUEHWDNFBQS-WOJBJXKFSA-N 0 0 385.508 3.423 20 30 GGEDRN Cc1cccc2c1N(C1CC1)CCN2C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000184755968 1430967457 /nfs/dbraw/zinc/96/74/57/1430967457.db2.gz XIBQKXDMLZSTKL-UHFFFAOYSA-N 0 0 390.487 3.120 20 30 GGEDRN CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000184763466 1430970325 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399.397 3.035 20 30 GGEDRN C=C(C)[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc(C)c1C)c1ccc(F)c(F)c1 ZINC000184844841 1431000730 /nfs/dbraw/zinc/00/07/30/1431000730.db2.gz IOTLDWCSQWWXJZ-GOSISDBHSA-N 0 0 394.443 3.276 20 30 GGEDRN C=C(C)[C@H](NC(=O)CN1C(=O)c2ccc(C)cc2C1=O)c1ccc(F)c(F)c1 ZINC000184846137 1431001192 /nfs/dbraw/zinc/00/11/92/1431001192.db2.gz SWHMRQRHHOALDB-IBGZPJMESA-N 0 0 384.382 3.303 20 30 GGEDRN C=C(C)[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1F)c1ccc(F)c(F)c1 ZINC000184852521 1431003230 /nfs/dbraw/zinc/00/32/30/1431003230.db2.gz CMCGMXVLFQHSFG-GOSISDBHSA-N 0 0 380.341 3.406 20 30 GGEDRN C=C(C)[C@H](NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)c1ccc(F)c(F)c1 ZINC000184858849 1431005451 /nfs/dbraw/zinc/00/54/51/1431005451.db2.gz UARBHYLYWQGLRU-FQEVSTJZSA-N 0 0 399.397 3.170 20 30 GGEDRN COc1cc(CN(C2CC2)S(=O)(=O)c2cc(C#N)ccc2Cl)ccc1O ZINC000184865708 1431006715 /nfs/dbraw/zinc/00/67/15/1431006715.db2.gz VABVDBJFAOPABL-UHFFFAOYSA-N 0 0 392.864 3.279 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N1CCOc2ccc(C(F)(F)F)cc21 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20 30 GGEDRN N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@]34CCOC4=O)c2)c1 ZINC000186536920 1431448785 /nfs/dbraw/zinc/44/87/85/1431448785.db2.gz IDDACGYTUKINLD-QFIPXVFZSA-N 0 0 376.412 3.059 20 30 GGEDRN N#CCOc1ccc(CNC(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000186543147 1431450063 /nfs/dbraw/zinc/45/00/63/1431450063.db2.gz XRQKRESJIJPZGQ-IBGZPJMESA-N 0 0 387.386 3.150 20 30 GGEDRN COCCOc1ccc(C#N)cc1N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000186545208 1431450668 /nfs/dbraw/zinc/45/06/68/1431450668.db2.gz SGUKKCYZDSOTRF-INIZCTEOSA-N 0 0 388.489 3.166 20 30 GGEDRN CC(=O)Nc1cccc(-n2nnnc2SCc2ccc(Cl)cc2C#N)c1 ZINC000186582783 1431460607 /nfs/dbraw/zinc/46/06/07/1431460607.db2.gz LRDBXFFAZAZHPI-UHFFFAOYSA-N 0 0 384.852 3.438 20 30 GGEDRN C=CCN(Cc1ccccc1F)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000186599726 1431464777 /nfs/dbraw/zinc/46/47/77/1431464777.db2.gz MGFMKKYJEAKPPT-UHFFFAOYSA-N 0 0 398.387 3.259 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCO[C@H](CCc3ccccc3)C2)cc1Cl ZINC000186626866 1431473450 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CCSCc1cc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)no1 ZINC000186678376 1431490036 /nfs/dbraw/zinc/49/00/36/1431490036.db2.gz SLCWTQZMGDNYDU-UHFFFAOYSA-N 0 0 386.477 3.314 20 30 GGEDRN C=C(C)[C@@H](NC(=O)N1CCCN(C(=O)C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000186680960 1431490628 /nfs/dbraw/zinc/49/06/28/1431490628.db2.gz DLAKPKHCHSPLGN-GOSISDBHSA-N 0 0 377.435 3.236 20 30 GGEDRN C[C@H](CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1nccs1 ZINC000186698875 1431494578 /nfs/dbraw/zinc/49/45/78/1431494578.db2.gz MKZCKHGHOAUTBK-IUDNXUCKSA-N 0 0 385.493 3.203 20 30 GGEDRN N#CCOc1cc(F)ccc1NC(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC000186704088 1431496404 /nfs/dbraw/zinc/49/64/04/1431496404.db2.gz OKGYFICSPAWARC-UHFFFAOYSA-N 0 0 388.365 3.124 20 30 GGEDRN N#CCOc1cc(F)ccc1NC(=O)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000186704161 1431496406 /nfs/dbraw/zinc/49/64/06/1431496406.db2.gz AEFOPBQZMJTVIV-BZNIZROVSA-N 0 0 389.349 3.333 20 30 GGEDRN C[C@@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000186720737 1431501174 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C#CCOc1ccccc1NC(=O)N[C@@H](c1noc(C)n1)c1ccccc1OC ZINC000188133119 1431851033 /nfs/dbraw/zinc/85/10/33/1431851033.db2.gz NZDNOCGYURETHB-LJQANCHMSA-N 0 0 392.415 3.310 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000188147124 1431852944 /nfs/dbraw/zinc/85/29/44/1431852944.db2.gz BNCYYERXCADFAY-RTBURBONSA-N 0 0 376.456 3.165 20 30 GGEDRN Cc1c(C(=O)N(C)Cc2ccc(C#N)cc2)nnn1Cc1ccc(F)cc1F ZINC000188162663 1431854889 /nfs/dbraw/zinc/85/48/89/1431854889.db2.gz FPHVRJSGCMFITD-UHFFFAOYSA-N 0 0 381.386 3.057 20 30 GGEDRN C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC ZINC000188167977 1431855992 /nfs/dbraw/zinc/85/59/92/1431855992.db2.gz GBWRINNJWROWCA-FUHWJXTLSA-N 0 0 380.444 3.362 20 30 GGEDRN Cc1ccc2[nH]c(CNC(=O)CCCC(=O)Nc3ccccc3C#N)nc2c1 ZINC000188169732 1431856033 /nfs/dbraw/zinc/85/60/33/1431856033.db2.gz UHEWVDGCSWNELX-UHFFFAOYSA-N 0 0 375.432 3.168 20 30 GGEDRN C=CCc1ccc(OCC(=O)Oc2ccc(-c3ncn(C)n3)cc2)c(OC)c1 ZINC000188188042 1431858263 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3.062 20 30 GGEDRN C[C@@H](O)[C@@](C)(CNC(=O)NCc1ccc(OCC#N)cc1)Cc1ccccc1 ZINC000188483184 1431888133 /nfs/dbraw/zinc/88/81/33/1431888133.db2.gz NLEARYUDVVZXMQ-VGOFRKELSA-N 0 0 381.476 3.018 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000188485235 1431888347 /nfs/dbraw/zinc/88/83/47/1431888347.db2.gz QREINWWVEDOIPA-ICSRJNTNSA-N 0 0 380.916 3.058 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000188485635 1431888350 /nfs/dbraw/zinc/88/83/50/1431888350.db2.gz SDZQJCSOCJCVDA-QFIPXVFZSA-N 0 0 396.491 3.248 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000188485257 1431888403 /nfs/dbraw/zinc/88/84/03/1431888403.db2.gz QREINWWVEDOIPA-AZUAARDMSA-N 0 0 380.916 3.058 20 30 GGEDRN C=CCOc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)c1 ZINC000188504576 1431889986 /nfs/dbraw/zinc/88/99/86/1431889986.db2.gz HIVXMGAGGDRKOO-HXUWFJFHSA-N 0 0 379.460 3.482 20 30 GGEDRN CC(=O)N1CCN(c2cccc(N[C@@H](C)c3ccc(OCC#N)cc3)c2)CC1 ZINC000188537668 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385.370 3.175 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000188598187 1431899018 /nfs/dbraw/zinc/89/90/18/1431899018.db2.gz ABABDHLDSZRDDI-GOSISDBHSA-N 0 0 392.459 3.188 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)c2ccc(OC)cc2OCC(C)C)c1 ZINC000188623880 1431906708 /nfs/dbraw/zinc/90/67/08/1431906708.db2.gz IMMFHLNUSDYMAK-UHFFFAOYSA-N 0 0 380.444 3.080 20 30 GGEDRN Cc1ccc(CN2CC[C@H](NC(=O)Nc3ccc(C#N)c(Cl)c3)C2=O)cc1 ZINC000188625281 1431907831 /nfs/dbraw/zinc/90/78/31/1431907831.db2.gz YRSWUOSAWOEPNA-SFHVURJKSA-N 0 0 382.851 3.443 20 30 GGEDRN Cc1ccc(CN2CC[C@@H](NC(=O)Nc3ccc(C#N)c(Cl)c3)C2=O)cc1 ZINC000188625305 1431908072 /nfs/dbraw/zinc/90/80/72/1431908072.db2.gz YRSWUOSAWOEPNA-GOSISDBHSA-N 0 0 382.851 3.443 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)c2ccc(OC)cc2OC(F)F)cc1 ZINC000188634134 1431911922 /nfs/dbraw/zinc/91/19/22/1431911922.db2.gz KFZIRSMJKMYGMW-UHFFFAOYSA-N 0 0 376.359 3.465 20 30 GGEDRN CC[C@]1(C)Oc2ccc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)cc2O1 ZINC000188642349 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377.473 3.119 20 30 GGEDRN CCCN(Cc1ccccc1O)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000189312372 1432083855 /nfs/dbraw/zinc/08/38/55/1432083855.db2.gz YQFGYTDBJAICNV-UHFFFAOYSA-N 0 0 382.464 3.216 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N(Cc3ccc(O)cc3)CC3CC3)CC2)o1 ZINC000189319207 1432085575 /nfs/dbraw/zinc/08/55/75/1432085575.db2.gz SGICWOGWVADAAX-UHFFFAOYSA-N 0 0 394.475 3.216 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)NCCc3csc(C(C)C)n3)CC2)o1 ZINC000189324383 1432086573 /nfs/dbraw/zinc/08/65/73/1432086573.db2.gz YZGDZDRMJYULQO-UHFFFAOYSA-N 0 0 387.509 3.010 20 30 GGEDRN C[C@@H](C1CC1)n1cc(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)cn1 ZINC000189331170 1432087494 /nfs/dbraw/zinc/08/74/94/1432087494.db2.gz FLMQHDJLOSUYDO-AWEZNQCLSA-N 0 0 381.436 3.114 20 30 GGEDRN C[C@H](C1CC1)n1cc(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)cn1 ZINC000189331191 1432087752 /nfs/dbraw/zinc/08/77/52/1432087752.db2.gz FLMQHDJLOSUYDO-CQSZACIVSA-N 0 0 381.436 3.114 20 30 GGEDRN C=CCOc1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1 ZINC000189342071 1432089782 /nfs/dbraw/zinc/08/97/82/1432089782.db2.gz USRSBRMXBVWMEM-UHFFFAOYSA-N 0 0 379.460 3.172 20 30 GGEDRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000189341468 1432090064 /nfs/dbraw/zinc/09/00/64/1432090064.db2.gz LRRSXQQLEZFJCI-UTKZUKDTSA-N 0 0 383.517 3.034 20 30 GGEDRN N#Cc1ccc(N2CC[C@@H](S(=O)(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000189361853 1432093511 /nfs/dbraw/zinc/09/35/11/1432093511.db2.gz QHBXCFPCTSHZBO-MRXNPFEDSA-N 0 0 394.374 3.156 20 30 GGEDRN CCOC(=O)[C@H](C)N(C(=O)c1ccc(COc2ccccc2C#N)o1)C1CC1 ZINC000189376732 1432095430 /nfs/dbraw/zinc/09/54/30/1432095430.db2.gz PEAVIQJTXISMBN-AWEZNQCLSA-N 0 0 382.416 3.286 20 30 GGEDRN CCC1(CC)[C@H](NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)[C@H](C)[C@@H]1OC ZINC000189378559 1432095806 /nfs/dbraw/zinc/09/58/06/1432095806.db2.gz PGGSCHWNACPHIA-VHSSKADRSA-N 0 0 388.512 3.027 20 30 GGEDRN C=CCC[C@@H](C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1)c1ccccc1 ZINC000189376950 1432095812 /nfs/dbraw/zinc/09/58/12/1432095812.db2.gz YKBJVNHUQIAVCQ-LJQANCHMSA-N 0 0 378.538 3.009 20 30 GGEDRN C=CCOc1ccccc1CNC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000189413746 1432102661 /nfs/dbraw/zinc/10/26/61/1432102661.db2.gz FEJYCZDPKRHYDO-KRWDZBQOSA-N 0 0 379.378 3.490 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)NCc3coc(-c4ccccc4)n3)CC2)o1 ZINC000189428517 1432108160 /nfs/dbraw/zinc/10/81/60/1432108160.db2.gz RZVFTQIPQPCBIF-UHFFFAOYSA-N 0 0 391.431 3.043 20 30 GGEDRN C=CC1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)CC1 ZINC000189440312 1432112274 /nfs/dbraw/zinc/11/22/74/1432112274.db2.gz OAKCNNBPOIHTIH-ZDUSSCGKSA-N 0 0 380.872 3.117 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000189457501 1432117575 /nfs/dbraw/zinc/11/75/75/1432117575.db2.gz ZYUGPFHRRSSZTL-UHFFFAOYSA-N 0 0 389.411 3.333 20 30 GGEDRN CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000189461327 1432120495 /nfs/dbraw/zinc/12/04/95/1432120495.db2.gz MXAPHMZNPMJJQW-OAHLLOKOSA-N 0 0 382.382 3.183 20 30 GGEDRN Cc1ccc(-c2ncccc2NC(=O)NCCCc2[nH]nc(N)c2C#N)s1 ZINC000189461622 1432120510 /nfs/dbraw/zinc/12/05/10/1432120510.db2.gz WOGMVRKROWCUSU-UHFFFAOYSA-N 0 0 381.465 3.050 20 30 GGEDRN C=CCc1ccc(OC[C@@H](O)COc2ccc(-c3ncn(C)n3)cc2)c(OC)c1 ZINC000189470994 1432124079 /nfs/dbraw/zinc/12/40/79/1432124079.db2.gz RQROAGBLLOCIJE-SFHVURJKSA-N 0 0 395.459 3.038 20 30 GGEDRN CN(C[C@@H](O)COc1ccccc1C(F)(F)F)c1nc2ccccn2c1C#N ZINC000189476713 1432126762 /nfs/dbraw/zinc/12/67/62/1432126762.db2.gz IULQTRVALBYLLB-CYBMUJFWSA-N 0 0 390.365 3.101 20 30 GGEDRN CN(C[C@@H](O)COc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000189478176 1432128505 /nfs/dbraw/zinc/12/85/05/1432128505.db2.gz ABURGVSGUKJJKL-CQSZACIVSA-N 0 0 395.337 3.361 20 30 GGEDRN CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C[C@@H](O)C(F)(F)F ZINC000189481670 1432129664 /nfs/dbraw/zinc/12/96/64/1432129664.db2.gz SFVKRPFKMRXYTC-SWLSCSKDSA-N 0 0 389.443 3.264 20 30 GGEDRN CCN(CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C[C@@H](O)C(F)(F)F ZINC000189484758 1432131412 /nfs/dbraw/zinc/13/14/12/1432131412.db2.gz LXRPVIFFFXCXRT-OAHLLOKOSA-N 0 0 391.821 3.140 20 30 GGEDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1CC(=O)NC1(C#N)CCCCC1 ZINC000189495306 1432134372 /nfs/dbraw/zinc/13/43/72/1432134372.db2.gz XFXHYQBEFNLNDR-QAPCUYQASA-N 0 0 375.900 3.444 20 30 GGEDRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1CC(=O)NC1(C#N)CCCCC1 ZINC000189495345 1432134721 /nfs/dbraw/zinc/13/47/21/1432134721.db2.gz XFXHYQBEFNLNDR-CRAIPNDOSA-N 0 0 375.900 3.444 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)COC ZINC000189516191 1432144585 /nfs/dbraw/zinc/14/45/85/1432144585.db2.gz ZSAPLJBXCIPIQR-UHFFFAOYSA-N 0 0 379.460 3.442 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)c1cn(-c2cccc(Cl)c2)nn1 ZINC000189537130 1432152797 /nfs/dbraw/zinc/15/27/97/1432152797.db2.gz POGGEFNFOVQBSF-UHFFFAOYSA-N 0 0 382.811 3.251 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3n[nH]c4c3cccc4Cl)CC2)o1 ZINC000189538024 1432152995 /nfs/dbraw/zinc/15/29/95/1432152995.db2.gz BXHDOUSXCVPYDD-UHFFFAOYSA-N 0 0 384.827 3.240 20 30 GGEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)NC[C@@H]3CC[C@@H](O)C3)c2)c1 ZINC000189547246 1432155665 /nfs/dbraw/zinc/15/56/65/1432155665.db2.gz AYAFSAGPSUVAGS-WIYYLYMNSA-N 0 0 392.455 3.156 20 30 GGEDRN COCCO[C@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000189553690 1432157136 /nfs/dbraw/zinc/15/71/36/1432157136.db2.gz LQUAQRAEOBXTLZ-NRFANRHFSA-N 0 0 380.444 3.015 20 30 GGEDRN COCCO[C@@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000189553667 1432157168 /nfs/dbraw/zinc/15/71/68/1432157168.db2.gz LQUAQRAEOBXTLZ-OAQYLSRUSA-N 0 0 380.444 3.015 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(c1cccc(N)c1)C1CCCC1 ZINC000189572919 1432163428 /nfs/dbraw/zinc/16/34/28/1432163428.db2.gz SCNMKKARCCWEBH-HNNXBMFYSA-N 0 0 392.459 3.474 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N2CCN(c3ccccc3F)C[C@@H]2C)cc1 ZINC000189575708 1432164244 /nfs/dbraw/zinc/16/42/44/1432164244.db2.gz RZKBXCRQECBGDH-INIZCTEOSA-N 0 0 396.466 3.484 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(Cl)n1 ZINC000189594556 1432170355 /nfs/dbraw/zinc/17/03/55/1432170355.db2.gz UXAUVDRKZATWFQ-UHFFFAOYSA-N 0 0 391.880 3.147 20 30 GGEDRN C[C@@H](CNc1ccccc1)NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000189599773 1432171982 /nfs/dbraw/zinc/17/19/82/1432171982.db2.gz VWIZLERLMOYLQT-HNNXBMFYSA-N 0 0 382.489 3.248 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)CCc2cccs2)ccc1OC ZINC000189618313 1432179468 /nfs/dbraw/zinc/17/94/68/1432179468.db2.gz POWDQJOOWYBDDM-HNNXBMFYSA-N 0 0 394.518 3.100 20 30 GGEDRN C=CCC[C@@H](NC(=O)N[C@H]1CCCN(c2ccnn2CC)C1=O)c1ccccc1 ZINC000189627258 1432183182 /nfs/dbraw/zinc/18/31/82/1432183182.db2.gz FTCBIIBGKFMPEM-MOPGFXCFSA-N 0 0 395.507 3.405 20 30 GGEDRN C=CCC[C@H](NC(=O)N[C@@H]1CCCN(c2ccnn2CC)C1=O)c1ccccc1 ZINC000189627234 1432183692 /nfs/dbraw/zinc/18/36/92/1432183692.db2.gz FTCBIIBGKFMPEM-RBUKOAKNSA-N 0 0 395.507 3.405 20 30 GGEDRN Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](CCC#N)c3ccccc3)C2=O)cc1 ZINC000189637728 1432187419 /nfs/dbraw/zinc/18/74/19/1432187419.db2.gz DSGWAWZZGODMIB-RTWAWAEBSA-N 0 0 390.487 3.440 20 30 GGEDRN CCN(C)C(=O)[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000189639659 1432188240 /nfs/dbraw/zinc/18/82/40/1432188240.db2.gz XIVLPCFDFKAEGF-MRXNPFEDSA-N 0 0 394.475 3.434 20 30 GGEDRN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C#N)cc1 ZINC000189679413 1432201070 /nfs/dbraw/zinc/20/10/70/1432201070.db2.gz TUXIUFVIRMGOKF-UHFFFAOYSA-N 0 0 376.334 3.392 20 30 GGEDRN C[C@H](c1nnnn1C1CCCCC1)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000189680722 1432201984 /nfs/dbraw/zinc/20/19/84/1432201984.db2.gz QSCPJHHKOVYGNG-XLIONFOSSA-N 0 0 379.512 3.122 20 30 GGEDRN C[C@H](O)CN1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 ZINC000189681448 1432202106 /nfs/dbraw/zinc/20/21/06/1432202106.db2.gz HTXMKRNKASMULL-HNNXBMFYSA-N 0 0 399.878 3.143 20 30 GGEDRN C[C@H](O)CN1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC000189695539 1432207141 /nfs/dbraw/zinc/20/71/41/1432207141.db2.gz LCZQSNRTNXUMOV-HNNXBMFYSA-N 0 0 399.878 3.143 20 30 GGEDRN N#Cc1cc(F)ccc1NC(=O)C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000189699786 1432208183 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CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000189717393 1432212811 /nfs/dbraw/zinc/21/28/11/1432212811.db2.gz VXOPFUXQHVBIDS-OAHLLOKOSA-N 0 0 382.489 3.321 20 30 GGEDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000189756918 1432225615 /nfs/dbraw/zinc/22/56/15/1432225615.db2.gz GCMCFBPSZAPYGV-UHFFFAOYSA-N 0 0 394.381 3.234 20 30 GGEDRN Cc1ncsc1CN(C)C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000189757286 1432225647 /nfs/dbraw/zinc/22/56/47/1432225647.db2.gz WKIIRVNYSLQACZ-UHFFFAOYSA-N 0 0 397.485 3.044 20 30 GGEDRN Cc1ncsc1CN(C)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000189759112 1432226495 /nfs/dbraw/zinc/22/64/95/1432226495.db2.gz KSOVQEZXCUHKKX-LBPRGKRZSA-N 0 0 388.518 3.300 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N(Cc2ccccc2)CC2CCOCC2)ccc1F ZINC000189759888 1432226894 /nfs/dbraw/zinc/22/68/94/1432226894.db2.gz GWLYXHRVKVGRSK-UHFFFAOYSA-N 0 0 395.434 3.091 20 30 GGEDRN Cc1ncsc1CN(C)C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000189760443 1432226936 /nfs/dbraw/zinc/22/69/36/1432226936.db2.gz VOMHFAIYHJRXKV-UHFFFAOYSA-N 0 0 389.480 3.448 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000189760990 1432227032 /nfs/dbraw/zinc/22/70/32/1432227032.db2.gz WQHZKLREMMMDFE-UHFFFAOYSA-N 0 0 391.471 3.261 20 30 GGEDRN Cc1ccc(CNC(=O)NCc2cc(C#N)ccc2F)c(-n2cc(Cl)cn2)n1 ZINC000189800023 1432238978 /nfs/dbraw/zinc/23/89/78/1432238978.db2.gz AZCWMZVKGOXIPS-UHFFFAOYSA-N 0 0 398.829 3.239 20 30 GGEDRN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000189817591 1432243800 /nfs/dbraw/zinc/24/38/00/1432243800.db2.gz OTVDNOAIVFENNB-ACJLOTCBSA-N 0 0 383.835 3.139 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000189820997 1432244481 /nfs/dbraw/zinc/24/44/81/1432244481.db2.gz NCMZTDFVTPRGMK-DJJJIMSYSA-N 0 0 397.862 3.447 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000189820980 1432244710 /nfs/dbraw/zinc/24/47/10/1432244710.db2.gz NCMZTDFVTPRGMK-ORAYPTAESA-N 0 0 397.862 3.447 20 30 GGEDRN COc1ccc([C@@H](CCO)NC(=O)C#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000189851889 1432253334 /nfs/dbraw/zinc/25/33/34/1432253334.db2.gz DVFWNENRXVXHJI-GOSISDBHSA-N 0 0 377.362 3.305 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1 ZINC000189876557 1432260006 /nfs/dbraw/zinc/26/00/06/1432260006.db2.gz VEKGCKIQVVZHAR-VKJFTORMSA-N 0 0 384.480 3.112 20 30 GGEDRN N#Cc1ccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1O ZINC000189881832 1432261465 /nfs/dbraw/zinc/26/14/65/1432261465.db2.gz FVPHDSBUDPGPBM-UHFFFAOYSA-N 0 0 389.377 3.241 20 30 GGEDRN C#Cc1cccc(NC(=O)C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)c1 ZINC000189882827 1432261981 /nfs/dbraw/zinc/26/19/81/1432261981.db2.gz FKFYDYATKURNFJ-UHFFFAOYSA-N 0 0 390.361 3.163 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)Nc1ncnc2c1c(C)c(C)n2C[C@H]1CCCO1 ZINC000189891612 1432265122 /nfs/dbraw/zinc/26/51/22/1432265122.db2.gz FTHVGPBGEMRKTO-IIBYNOLFSA-N 0 0 386.496 3.394 20 30 GGEDRN C=CCCN(OCc1ccccc1)C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000189902384 1432268059 /nfs/dbraw/zinc/26/80/59/1432268059.db2.gz RHUXPQKYVMLFHR-UHFFFAOYSA-N 0 0 390.443 3.121 20 30 GGEDRN C=CCCN(OCc1ccccc1)C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 ZINC000189903304 1432268556 /nfs/dbraw/zinc/26/85/56/1432268556.db2.gz KJAQTAOXTSTSGZ-UHFFFAOYSA-N 0 0 388.489 3.101 20 30 GGEDRN C=CCCN(OCc1ccccc1)C(=O)CCn1cnc2sccc2c1=O ZINC000189903511 1432268599 /nfs/dbraw/zinc/26/85/99/1432268599.db2.gz SEJRFBHMRIYINT-UHFFFAOYSA-N 0 0 383.473 3.385 20 30 GGEDRN COC[C@@H](C)n1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000189906237 1432268856 /nfs/dbraw/zinc/26/88/56/1432268856.db2.gz AJTDFHFBVDTDGH-OAHLLOKOSA-N 0 0 383.452 3.037 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H](c4ccccc4)[C@@H]3C)CC2)o1 ZINC000189906257 1432269017 /nfs/dbraw/zinc/26/90/17/1432269017.db2.gz PCDLXFPUZZVKFE-KXBFYZLASA-N 0 0 378.476 3.476 20 30 GGEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000189910207 1432270534 /nfs/dbraw/zinc/27/05/34/1432270534.db2.gz PZWKUOAKDKITNG-QGZVFWFLSA-N 0 0 386.373 3.258 20 30 GGEDRN CCC(C)(C)N(CCC#N)C(=O)CC[C@H]1NC(=O)N(c2cccc(C)c2)C1=O ZINC000189911382 1432270805 /nfs/dbraw/zinc/27/08/05/1432270805.db2.gz QCGYCBYIRIIAOK-QGZVFWFLSA-N 0 0 384.480 3.131 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000189920435 1432274394 /nfs/dbraw/zinc/27/43/94/1432274394.db2.gz CYJLDBIZPAAIHS-UHFFFAOYSA-N 0 0 380.404 3.151 20 30 GGEDRN C=CCC[C@@H](C(=O)N[C@@H]1CCCN(c2ccnn2CC)C1=O)c1ccccc1 ZINC000189925188 1432275345 /nfs/dbraw/zinc/27/53/45/1432275345.db2.gz NIIZXXWZHPDPLS-RTBURBONSA-N 0 0 380.492 3.265 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1 ZINC000189925444 1432276160 /nfs/dbraw/zinc/27/61/60/1432276160.db2.gz AAZXMOZVJPLQTP-UHFFFAOYSA-N 0 0 378.384 3.243 20 30 GGEDRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(CCC#N)C(C)(C)CC)cc1 ZINC000189936791 1432281307 /nfs/dbraw/zinc/28/13/07/1432281307.db2.gz FFGBAAHYYIBNAL-OAHLLOKOSA-N 0 0 379.526 3.308 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N(CCCO)[C@H]2CCc3ccccc32)ccc1Cl ZINC000189943108 1432283591 /nfs/dbraw/zinc/28/35/91/1432283591.db2.gz HTAJYNNVMJSFSM-IBGZPJMESA-N 0 0 397.862 3.049 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N(CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000189946190 1432284969 /nfs/dbraw/zinc/28/49/69/1432284969.db2.gz SEMVMARZDFSEJE-LJQANCHMSA-N 0 0 397.862 3.049 20 30 GGEDRN CC1(C)CN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC2(CCCC2)O1 ZINC000189948981 1432286392 /nfs/dbraw/zinc/28/63/92/1432286392.db2.gz RSJSFVAVKUEJPR-UHFFFAOYSA-N 0 0 375.856 3.100 20 30 GGEDRN C=CCC[C@H](Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1)c1ccccc1 ZINC000189960677 1432290078 /nfs/dbraw/zinc/29/00/78/1432290078.db2.gz YHINZKZVUGXWQZ-IBGZPJMESA-N 0 0 399.516 3.072 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000190000914 1432302568 /nfs/dbraw/zinc/30/25/68/1432302568.db2.gz PSBPFWIEWYHIEL-UHFFFAOYSA-N 0 0 385.414 3.265 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000190006437 1432303266 /nfs/dbraw/zinc/30/32/66/1432303266.db2.gz DSAGAGNOTYKEOY-UHFFFAOYSA-N 0 0 378.428 3.202 20 30 GGEDRN CC(C)c1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N)CC2 ZINC000190008269 1432304151 /nfs/dbraw/zinc/30/41/51/1432304151.db2.gz HDFLHYGXOSYKLG-GOSISDBHSA-N 0 0 379.464 3.201 20 30 GGEDRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N)CC2 ZINC000190008289 1432304286 /nfs/dbraw/zinc/30/42/86/1432304286.db2.gz HDFLHYGXOSYKLG-SFHVURJKSA-N 0 0 379.464 3.201 20 30 GGEDRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)CC2 ZINC000190013706 1432305120 /nfs/dbraw/zinc/30/51/20/1432305120.db2.gz NJYYQGMGQVLQNL-SFHVURJKSA-N 0 0 393.491 3.375 20 30 GGEDRN C[C@H](COc1ccc(F)cc1F)NC(=O)CCOCC(F)(F)C(F)(F)F ZINC000190023528 1432306772 /nfs/dbraw/zinc/30/67/72/1432306772.db2.gz BUUPRUMIDGUXOT-SECBINFHSA-N 0 0 391.283 3.453 20 30 GGEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1CN1CCNC1=O ZINC000190019715 1432305971 /nfs/dbraw/zinc/30/59/71/1432305971.db2.gz GUIOTMPCTWRMOD-UHFFFAOYSA-N 0 0 387.361 3.221 20 30 GGEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3C[C@H]4OCCC[C@H]34)c2)c1 ZINC000190018560 1432306085 /nfs/dbraw/zinc/30/60/85/1432306085.db2.gz XYMZUWUFPKJHMK-VAMGGRTRSA-N 0 0 390.443 3.500 20 30 GGEDRN N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCCc3c(O)cccc32)CC1 ZINC000190035043 1432308426 /nfs/dbraw/zinc/30/84/26/1432308426.db2.gz RIRZUENEEWXPDZ-RTWAWAEBSA-N 0 0 375.472 3.221 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCc3c(O)cccc32)CC1 ZINC000190035061 1432308471 /nfs/dbraw/zinc/30/84/71/1432308471.db2.gz RIRZUENEEWXPDZ-LEWJYISDSA-N 0 0 375.472 3.221 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000190041901 1432309455 /nfs/dbraw/zinc/30/94/55/1432309455.db2.gz VLQYDGSXVPKKEU-UHFFFAOYSA-N 0 0 390.486 3.092 20 30 GGEDRN NC(Cn1cnc2ccccc21)=NOCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000190049484 1432311269 /nfs/dbraw/zinc/31/12/69/1432311269.db2.gz PYGCKURFXIWDQF-UHFFFAOYSA-N 0 0 392.375 3.089 20 30 GGEDRN CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)c1cccc(F)c1C#N ZINC000190066375 1432313730 /nfs/dbraw/zinc/31/37/30/1432313730.db2.gz GSCSGROWRQEREB-GFCCVEGCSA-N 0 0 396.340 3.228 20 30 GGEDRN CCN(Cc1ccccc1)C(=O)CNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000190074610 1432314951 /nfs/dbraw/zinc/31/49/51/1432314951.db2.gz IQJRBYWMDNIJIH-UHFFFAOYSA-N 0 0 388.389 3.222 20 30 GGEDRN CCOC(=O)[C@](C)(CNC(=O)N(C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000190081038 1432316266 /nfs/dbraw/zinc/31/62/66/1432316266.db2.gz KLLQSALDUQRMSX-JOCHJYFZSA-N 0 0 379.460 3.221 20 30 GGEDRN CCc1ccc([C@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CCO2)cc1 ZINC000190104446 1432320592 /nfs/dbraw/zinc/32/05/92/1432320592.db2.gz IFMKAFQQGHOBMX-LJQANCHMSA-N 0 0 397.862 3.313 20 30 GGEDRN N#Cc1ccc(F)c(CN2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)c1 ZINC000190133563 1432325400 /nfs/dbraw/zinc/32/54/00/1432325400.db2.gz BRBZBINFTLXGNC-KRWDZBQOSA-N 0 0 393.340 3.269 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000190141381 1432326878 /nfs/dbraw/zinc/32/68/78/1432326878.db2.gz HRQSRLICVALJFN-RDTXWAMCSA-N 0 0 399.413 3.208 20 30 GGEDRN N#Cc1ccc(F)cc1CN1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190141102 1432326894 /nfs/dbraw/zinc/32/68/94/1432326894.db2.gz RHWPGXCOIGQIQM-KRWDZBQOSA-N 0 0 393.340 3.269 20 30 GGEDRN COc1ccc(NCC(=O)N[C@@](C)(C#N)C2CC2)c(OCc2ccccc2)c1 ZINC000190153011 1432329211 /nfs/dbraw/zinc/32/92/11/1432329211.db2.gz ISDQTEZNVREDRQ-QFIPXVFZSA-N 0 0 379.460 3.495 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC000190164777 1432331547 /nfs/dbraw/zinc/33/15/47/1432331547.db2.gz DPXOSSPAQLRXSR-UHFFFAOYSA-N 0 0 389.463 3.495 20 30 GGEDRN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000190201193 1432339905 /nfs/dbraw/zinc/33/99/05/1432339905.db2.gz LYLPJJABYNJMLA-QGZVFWFLSA-N 0 0 396.878 3.278 20 30 GGEDRN C=CCn1c(-c2ccccc2C)nn(CN2C[C@@H](C)O[C@H](COC)C2)c1=S ZINC000190205222 1432340933 /nfs/dbraw/zinc/34/09/33/1432340933.db2.gz ZDFMQJLWHMHNEI-SJORKVTESA-N 0 0 388.537 3.269 20 30 GGEDRN C=CCn1c(-c2cccc(C)c2)nn(CN2C[C@@H](C)O[C@H](COC)C2)c1=S ZINC000190214081 1432342352 /nfs/dbraw/zinc/34/23/52/1432342352.db2.gz GVKVKXXIVHAHSU-AEFFLSMTSA-N 0 0 388.537 3.269 20 30 GGEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCc4ccc(Cl)cc43)C2=O)cc1 ZINC000190237744 1432346777 /nfs/dbraw/zinc/34/67/77/1432346777.db2.gz WMEPDSIOSBCHCP-GOSISDBHSA-N 0 0 394.862 3.085 20 30 GGEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)N(CC3CC3)C3CCCCC3)C2=O)cc1 ZINC000190239566 1432347302 /nfs/dbraw/zinc/34/73/02/1432347302.db2.gz RKFYBQFMKSITET-NRFANRHFSA-N 0 0 394.519 3.413 20 30 GGEDRN C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nc3ccc(OCC)cc3s2)cc1 ZINC000190246324 1432348131 /nfs/dbraw/zinc/34/81/31/1432348131.db2.gz ZPPGGWHBRAVWGY-CYBMUJFWSA-N 0 0 393.468 3.438 20 30 GGEDRN CCn1c2nnc(COc3ccc(C#N)c(Cl)c3)n2c2ccccc2c1=O ZINC000190249109 1432348533 /nfs/dbraw/zinc/34/85/33/1432348533.db2.gz IOCNFKMSDQFHNH-UHFFFAOYSA-N 0 0 379.807 3.168 20 30 GGEDRN Cc1cc(C)c(NC(=O)C(=O)N(CCC#N)CC2CC2)cc1Br ZINC000190252641 1432349001 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3.463 20 30 GGEDRN C#C[C@H](C)NC(=O)C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 ZINC000190269462 1432351293 /nfs/dbraw/zinc/35/12/93/1432351293.db2.gz DLYXWQYISMGKPC-ZDUSSCGKSA-N 0 0 390.361 3.361 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)NCCc2ccc(F)c(F)c2)CC1 ZINC000190280235 1432352565 /nfs/dbraw/zinc/35/25/65/1432352565.db2.gz LSXXJSDAIPBKCH-UHFFFAOYSA-N 0 0 388.393 3.050 20 30 GGEDRN CN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCC(C)(C)CC1 ZINC000190288691 1432353912 /nfs/dbraw/zinc/35/39/12/1432353912.db2.gz CFMOFFSNOGWJMO-LJQANCHMSA-N 0 0 382.508 3.269 20 30 GGEDRN CCc1ccc([C@H]2CN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CCO2)cc1 ZINC000190324763 1432361769 /nfs/dbraw/zinc/36/17/69/1432361769.db2.gz NZBQEUDPDYHTMH-FGZHOGPDSA-N 0 0 375.472 3.299 20 30 GGEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000190326912 1432361965 /nfs/dbraw/zinc/36/19/65/1432361965.db2.gz OPNVTTRGJOUIPO-UHFFFAOYSA-N 0 0 395.463 3.341 20 30 GGEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)NC1CCC(O)(c2cccnc2)CC1 ZINC000190334497 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385.464 3.464 20 30 GGEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NOC[C@@H]2CCOC2)cc1 ZINC000190427747 1432379912 /nfs/dbraw/zinc/37/99/12/1432379912.db2.gz XVYGKHPHKSCBLL-LJQANCHMSA-N 0 0 383.423 3.377 20 30 GGEDRN C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(F)ccc1OCCOC ZINC000190508826 1432394965 /nfs/dbraw/zinc/39/49/65/1432394965.db2.gz RKOWHGCHIRUDCT-UHFFFAOYSA-N 0 0 379.453 3.228 20 30 GGEDRN CCOC(=O)N1CCC([C@H](C)NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000190518772 1432396619 /nfs/dbraw/zinc/39/66/19/1432396619.db2.gz HCELRCJHCQDOIL-AWEZNQCLSA-N 0 0 396.409 3.430 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CCCO3)CC2)cc1C(F)(F)F ZINC000190516933 1432396638 /nfs/dbraw/zinc/39/66/38/1432396638.db2.gz LNBIOEUYNJGYMJ-INIZCTEOSA-N 0 0 388.411 3.157 20 30 GGEDRN COc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(OC(C)C)c1 ZINC000190519121 1432396827 /nfs/dbraw/zinc/39/68/27/1432396827.db2.gz QLYKECJLYIHFDR-UHFFFAOYSA-N 0 0 397.450 3.456 20 30 GGEDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N(CCC#N)Cc1cccnc1 ZINC000190525209 1432397729 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N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(Cn2cncn2)CC1 ZINC000190717796 1432455155 /nfs/dbraw/zinc/45/51/55/1432455155.db2.gz KCCAIFPDPGJZFN-UHFFFAOYSA-N 0 0 387.443 3.494 20 30 GGEDRN C=CCN(CCOC)C(=O)C(=O)Nc1cccc(OCc2cccc(C)c2)c1 ZINC000190722413 1432455960 /nfs/dbraw/zinc/45/59/60/1432455960.db2.gz GHVCSXOTJPEHII-UHFFFAOYSA-N 0 0 382.460 3.174 20 30 GGEDRN CCc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000190724829 1432456288 /nfs/dbraw/zinc/45/62/88/1432456288.db2.gz QXTARBZLVISOSN-ATJXCDBQSA-N 0 0 399.516 3.243 20 30 GGEDRN Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)cc1Cl ZINC000190732027 1432460092 /nfs/dbraw/zinc/46/00/92/1432460092.db2.gz BIVIBIVKOLYJTK-UHFFFAOYSA-N 0 0 398.850 3.216 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](Cc1ccccc1)C(C)C ZINC000190739869 1432463521 /nfs/dbraw/zinc/46/35/21/1432463521.db2.gz BTHGXFMBUCZXRY-LJQANCHMSA-N 0 0 379.504 3.427 20 30 GGEDRN C=CCN(CCOC)C(=O)C(=O)Nc1cccc(COc2ccccc2)c1C ZINC000190760235 1432469827 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30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000190807769 1432489344 /nfs/dbraw/zinc/48/93/44/1432489344.db2.gz QPNZPKPTYKTVEW-UHFFFAOYSA-N 0 0 388.349 3.125 20 30 GGEDRN Cc1ccc(CN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C2CC2)cc1C ZINC000190812076 1432490471 /nfs/dbraw/zinc/49/04/71/1432490471.db2.gz SWSVNCFJGBLEIE-UHFFFAOYSA-N 0 0 379.464 3.082 20 30 GGEDRN CCOC(=O)[C@H](C)N(CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000190813934 1432492027 /nfs/dbraw/zinc/49/20/27/1432492027.db2.gz OSTDCMRWQSDQDN-ZDUSSCGKSA-N 0 0 389.521 3.243 20 30 GGEDRN CCOC(=O)[C@@H](C)N(CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000190813914 1432492300 /nfs/dbraw/zinc/49/23/00/1432492300.db2.gz OSTDCMRWQSDQDN-CYBMUJFWSA-N 0 0 389.521 3.243 20 30 GGEDRN N#CCCN(Cc1ccccn1)C(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190818320 1432493258 /nfs/dbraw/zinc/49/32/58/1432493258.db2.gz DSAHMUMOKVHEJS-UHFFFAOYSA-N 0 0 395.221 3.408 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000190845734 1432505691 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GGEDRN CN(CC(=O)N[C@](C)(C#N)CCc1ccccc1)C(=O)OCc1ccccc1 ZINC000191672748 1432703501 /nfs/dbraw/zinc/70/35/01/1432703501.db2.gz MGLWHGWRGYSWDY-QFIPXVFZSA-N 0 0 379.460 3.286 20 30 GGEDRN CCO[C@@H]1C[C@@](O)(CNC(=O)c2occc2COc2cccc(C#N)c2)C1(C)C ZINC000191685207 1432705944 /nfs/dbraw/zinc/70/59/44/1432705944.db2.gz AIZIGSWQJIIXPB-XMSQKQJNSA-N 0 0 398.459 3.026 20 30 GGEDRN CCO[C@@H]1C[C@](O)(CNC(=O)c2occc2COc2cccc(C#N)c2)C1(C)C ZINC000191685177 1432706063 /nfs/dbraw/zinc/70/60/63/1432706063.db2.gz AIZIGSWQJIIXPB-GCJKJVERSA-N 0 0 398.459 3.026 20 30 GGEDRN N#CCCn1ccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)n1 ZINC000191695919 1432708664 /nfs/dbraw/zinc/70/86/64/1432708664.db2.gz KOURABMSGOHZJG-UHFFFAOYSA-N 0 0 378.436 3.130 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Cc2nnc(C3CC3)n2C2CC2)cc1C(F)(F)F ZINC000191724099 1432712873 /nfs/dbraw/zinc/71/28/73/1432712873.db2.gz QRBXJYOEAKTXKX-UHFFFAOYSA-N 0 0 396.394 3.355 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Cc2cc3ccccc3[nH]c2=O)cc1C(F)(F)F ZINC000191727921 1432713397 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20 30 GGEDRN CCO[C@H]1C[C@@](O)(CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1(C)C ZINC000191734949 1432714519 /nfs/dbraw/zinc/71/45/19/1432714519.db2.gz DTZHAXRFYJISTF-SIKLNZKXSA-N 0 0 398.459 3.026 20 30 GGEDRN Cn1cc([C@@H]2CSCCN2Cc2cn(CCC#N)nc2-c2ccccc2)cn1 ZINC000191738975 1432715481 /nfs/dbraw/zinc/71/54/81/1432715481.db2.gz TYHGNWHDOCARGI-FQEVSTJZSA-N 0 0 392.532 3.487 20 30 GGEDRN COc1ccc(F)c(C(=O)N2CCCN(c3ccccc3C#N)CC2)c1OC ZINC000191741343 1432716016 /nfs/dbraw/zinc/71/60/16/1432716016.db2.gz YIFBOLUZCYJVBM-UHFFFAOYSA-N 0 0 383.423 3.067 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)Nc3cc(F)ccc3OCC3CC3)CC2)nc1 ZINC000191767900 1432721650 /nfs/dbraw/zinc/72/16/50/1432721650.db2.gz QFMHOZYTZVZYJO-UHFFFAOYSA-N 0 0 395.438 3.235 20 30 GGEDRN CCc1nn(C)c(CC)c1CC(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1 ZINC000191785509 1432724957 /nfs/dbraw/zinc/72/49/57/1432724957.db2.gz GZUHAFZGIPWTRF-MRXNPFEDSA-N 0 0 398.507 3.093 20 30 GGEDRN C=C[C@](C)(CC)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC ZINC000191798393 1432727917 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Cc1ccc(C[C@@H](CO)NC(=O)NCCSCc2ccccc2C#N)cc1 ZINC000191928096 1432757403 /nfs/dbraw/zinc/75/74/03/1432757403.db2.gz MOCHOBJUOFGZFI-FQEVSTJZSA-N 0 0 383.517 3.003 20 30 GGEDRN Cc1ccccc1C[C@@H](CO)NC(=O)NCCSCc1ccccc1C#N ZINC000191928078 1432757407 /nfs/dbraw/zinc/75/74/07/1432757407.db2.gz XABYFTDMXDLJEA-FQEVSTJZSA-N 0 0 383.517 3.003 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)NCCN2CCc3ccccc3C2=O)c1 ZINC000191926980 1432757452 /nfs/dbraw/zinc/75/74/52/1432757452.db2.gz BHYTZYIDDKDIJT-UHFFFAOYSA-N 0 0 379.460 3.462 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(-n2cccn2)cc1C ZINC000191931752 1432758557 /nfs/dbraw/zinc/75/85/57/1432758557.db2.gz IVNRHRRXTAQFLV-UHFFFAOYSA-N 0 0 380.473 3.396 20 30 GGEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCNC(=O)c1cccs1 ZINC000191934544 1432760049 /nfs/dbraw/zinc/76/00/49/1432760049.db2.gz BPYCJODLJUOESR-UHFFFAOYSA-N 0 0 399.516 3.085 20 30 GGEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000191947426 1432763417 /nfs/dbraw/zinc/76/34/17/1432763417.db2.gz RSJOBZKULLGQIU-UHFFFAOYSA-N 0 0 399.535 3.194 20 30 GGEDRN C=CCN(CCOC)C(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000191958380 1432767411 /nfs/dbraw/zinc/76/74/11/1432767411.db2.gz YIMWRURMTSYKTQ-UHFFFAOYSA-N 0 0 387.501 3.244 20 30 GGEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](CO)Cc1ccc(O)cc1 ZINC000191969834 1432770759 /nfs/dbraw/zinc/77/07/59/1432770759.db2.gz XEJRFTPGQMXGPW-HNNXBMFYSA-N 0 0 395.377 3.309 20 30 GGEDRN C=CCN(CCOC)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000191970519 1432770997 /nfs/dbraw/zinc/77/09/97/1432770997.db2.gz JGYWDFUVRDPDGF-UHFFFAOYSA-N 0 0 388.489 3.070 20 30 GGEDRN C=CCN(CCOC)C(=O)c1ccccc1OCc1cn2cccc(C)c2n1 ZINC000191970897 1432771310 /nfs/dbraw/zinc/77/13/10/1432771310.db2.gz MUBLQBYRRLOXQP-UHFFFAOYSA-N 0 0 379.460 3.496 20 30 GGEDRN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc3sccc3[nH]2)cc1 ZINC000192004805 1432778188 /nfs/dbraw/zinc/77/81/88/1432778188.db2.gz MNMQXJYMBYPHOT-HNNXBMFYSA-N 0 0 382.470 3.255 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)N2CCSC[C@H]2c2cnn(C)c2)cc1OC 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BSUOGZSZMBTXBI-UHFFFAOYSA-N 0 0 386.395 3.206 20 30 GGEDRN C=CCN1C(=S)N=NC1c1sc(NC(=O)C(=O)c2ccccc2)nc1C ZINC000194282624 1433154939 /nfs/dbraw/zinc/15/49/39/1433154939.db2.gz YHCIKJYJXXDZGU-UHFFFAOYSA-N 0 0 385.474 3.006 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)c2cnn(-c3ccccc3)c2C2CC2)c1 ZINC000194284619 1433154996 /nfs/dbraw/zinc/15/49/96/1433154996.db2.gz QYGQBZZYZJSZPV-UHFFFAOYSA-N 0 0 384.439 3.100 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)c2ccc(N(C)c3ccccc3)nc2)c1 ZINC000194285180 1433155316 /nfs/dbraw/zinc/15/53/16/1433155316.db2.gz PIKOEHLIHUDXQJ-UHFFFAOYSA-N 0 0 384.439 3.199 20 30 GGEDRN C[C@H]1CCNC(=O)[C@H]1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000194313168 1433159763 /nfs/dbraw/zinc/15/97/63/1433159763.db2.gz RDVCWERNLOILHL-SGTLLEGYSA-N 0 0 383.835 3.258 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)nc1 ZINC000194314111 1433160012 /nfs/dbraw/zinc/16/00/12/1433160012.db2.gz FRQWSLBZRAVSHO-UHFFFAOYSA-N 0 0 375.354 3.326 20 30 GGEDRN 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/nfs/dbraw/zinc/31/30/84/1434313084.db2.gz GOFIXYSMAFRPQG-CYBMUJFWSA-N 0 0 396.501 3.169 20 30 GGEDRN CCO[C@H](C)c1nc(CN2CCN(c3nc4c(cc3C#N)CCC4)CC2)cs1 ZINC000266250822 1434313488 /nfs/dbraw/zinc/31/34/88/1434313488.db2.gz NBPCWGCBXPPIKY-OAHLLOKOSA-N 0 0 397.548 3.318 20 30 GGEDRN COc1ccccc1[C@H](C)S(=O)(=O)CCOc1ccc(C#N)cc1OC ZINC000266256093 1434314016 /nfs/dbraw/zinc/31/40/16/1434314016.db2.gz RSHXIGVILOITBF-AWEZNQCLSA-N 0 0 375.446 3.130 20 30 GGEDRN CCO[C@H](C)c1nc(CN2CCN(c3nc(C)cc(C)c3C#N)CC2)cs1 ZINC000266261244 1434314262 /nfs/dbraw/zinc/31/42/62/1434314262.db2.gz PAJWCBNJLXQBDU-MRXNPFEDSA-N 0 0 385.537 3.446 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1 ZINC000266281730 1434316149 /nfs/dbraw/zinc/31/61/49/1434316149.db2.gz GQYGTAVUUCYDSH-UHFFFAOYSA-N 0 0 389.452 3.460 20 30 GGEDRN COc1cc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc(NC(C)=O)c1OC ZINC000266290389 1434316734 /nfs/dbraw/zinc/31/67/34/1434316734.db2.gz YVZMDYVAJRYWMO-UHFFFAOYSA-N 0 0 393.443 3.339 20 30 GGEDRN CC(C)(C)OC(=O)N(CC(=O)Nc1ncccc1OCCCC#N)CC1CC1 ZINC000266326637 1434320813 /nfs/dbraw/zinc/32/08/13/1434320813.db2.gz XQJYKUSCLBHZHX-UHFFFAOYSA-N 0 0 388.468 3.350 20 30 GGEDRN CC(C)[C@H](CCO)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000266356356 1434324108 /nfs/dbraw/zinc/32/41/08/1434324108.db2.gz IGOQKCSSGJPFNE-IBGZPJMESA-N 0 0 380.448 3.339 20 30 GGEDRN CC(C)[C@@H](CCO)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000266356360 1434324132 /nfs/dbraw/zinc/32/41/32/1434324132.db2.gz IGOQKCSSGJPFNE-LJQANCHMSA-N 0 0 380.448 3.339 20 30 GGEDRN N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000266379105 1434327447 /nfs/dbraw/zinc/32/74/47/1434327447.db2.gz CRLCBDOFYPVEIF-JQWIXIFHSA-N 0 0 379.285 3.079 20 30 GGEDRN N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000266379107 1434327479 /nfs/dbraw/zinc/32/74/79/1434327479.db2.gz CRLCBDOFYPVEIF-PWSUYJOCSA-N 0 0 379.285 3.079 20 30 GGEDRN N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000266379103 1434327518 /nfs/dbraw/zinc/32/75/18/1434327518.db2.gz CRLCBDOFYPVEIF-CMPLNLGQSA-N 0 0 379.285 3.079 20 30 GGEDRN COCCOC[C@@H]1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000266384145 1434328196 /nfs/dbraw/zinc/32/81/96/1434328196.db2.gz DJOMASUXRICCBX-HZPDHXFCSA-N 0 0 377.510 3.455 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)Oc1ccc(NC(C)=O)cc1F ZINC000266386466 1434328622 /nfs/dbraw/zinc/32/86/22/1434328622.db2.gz UYVYNIAPARPTNC-UHFFFAOYSA-N 0 0 386.379 3.429 20 30 GGEDRN CC(C)Cn1cc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cn1 ZINC000266403529 1434331408 /nfs/dbraw/zinc/33/14/08/1434331408.db2.gz PNFJOZKVUMDUJU-UHFFFAOYSA-N 0 0 394.479 3.293 20 30 GGEDRN COC[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CCO1 ZINC000266408133 1434332202 /nfs/dbraw/zinc/33/22/02/1434332202.db2.gz IKUOFKQUBSXFMD-GOSISDBHSA-N 0 0 397.431 3.238 20 30 GGEDRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)COc1ccc(C#N)cc1 ZINC000266409338 1434332223 /nfs/dbraw/zinc/33/22/23/1434332223.db2.gz NFAGRAVNTIVKJL-UHFFFAOYSA-N 0 0 378.476 3.097 20 30 GGEDRN COC[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1 ZINC000266413184 1434332789 /nfs/dbraw/zinc/33/27/89/1434332789.db2.gz SXTOKEGUQOROQH-FQEVSTJZSA-N 0 0 395.459 3.211 20 30 GGEDRN Cc1cc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)ccc1OC(C)C ZINC000266417005 1434333564 /nfs/dbraw/zinc/33/35/64/1434333564.db2.gz QISBPGIZGANXLR-UHFFFAOYSA-N 0 0 379.464 3.403 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)N1CCC(C(=O)N(C)CCCC)CC1 ZINC000266430755 1434335393 /nfs/dbraw/zinc/33/53/93/1434335393.db2.gz UTLPVZOAICDRKL-UHFFFAOYSA-N 0 0 389.471 3.340 20 30 GGEDRN COCC[C@](C)(O)CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000266430538 1434335420 /nfs/dbraw/zinc/33/54/20/1434335420.db2.gz KQLNGKSHCYRLIS-FQEVSTJZSA-N 0 0 387.411 3.399 20 30 GGEDRN COc1cc(C)c([C@@H](C)NC(=O)CN(C#N)c2ccc(F)c(C#N)c2)cc1OC ZINC000266435198 1434336315 /nfs/dbraw/zinc/33/63/15/1434336315.db2.gz JSSYDYUWPIGPIL-CQSZACIVSA-N 0 0 396.422 3.188 20 30 GGEDRN Cc1nn(C)c(C)c1CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000266437810 1434336741 /nfs/dbraw/zinc/33/67/41/1434336741.db2.gz ZKKXDLGNMZAFSK-UHFFFAOYSA-N 0 0 380.477 3.278 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000266445610 1434337693 /nfs/dbraw/zinc/33/76/93/1434337693.db2.gz YYLGBXVVMLASBO-UHFFFAOYSA-N 0 0 391.443 3.359 20 30 GGEDRN CCOC(=O)N1CCC(NC(=O)CCCNc2c(Cl)cccc2C#N)CC1 ZINC000266456485 1434339036 /nfs/dbraw/zinc/33/90/36/1434339036.db2.gz XZNOEVFSQOSGNY-UHFFFAOYSA-N 0 0 392.887 3.141 20 30 GGEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(CNC(C)=O)cc1 ZINC000266487175 1434342620 /nfs/dbraw/zinc/34/26/20/1434342620.db2.gz RKGRATARDBIWBV-INIZCTEOSA-N 0 0 394.475 3.079 20 30 GGEDRN Cc1ccc(N2CCOC2=O)cc1NC(=O)NCc1ccc(OCC#N)cc1 ZINC000266516781 1434345735 /nfs/dbraw/zinc/34/57/35/1434345735.db2.gz YWSZTWWSFKBLCX-UHFFFAOYSA-N 0 0 380.404 3.176 20 30 GGEDRN COc1ccccc1SC[C@H](C)CNC(=O)C(=O)Nc1cccc(C)c1C#N ZINC000266521830 1434346367 /nfs/dbraw/zinc/34/63/67/1434346367.db2.gz AQSNYFOAQWEESZ-CQSZACIVSA-N 0 0 397.500 3.358 20 30 GGEDRN COCCCOC1CCN(C(=O)NCCSCc2ccccc2C#N)CC1 ZINC000266534969 1434347418 /nfs/dbraw/zinc/34/74/18/1434347418.db2.gz QSSMWGQRLSLMRX-UHFFFAOYSA-N 0 0 391.537 3.019 20 30 GGEDRN N#Cc1cccc(OC2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000266537697 1434347572 /nfs/dbraw/zinc/34/75/72/1434347572.db2.gz JXUUKKXBOXLYJZ-UHFFFAOYSA-N 0 0 394.431 3.262 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1C#N ZINC000266540442 1434348056 /nfs/dbraw/zinc/34/80/56/1434348056.db2.gz IHHFPECQFCHGGT-FQEVSTJZSA-N 0 0 393.443 3.090 20 30 GGEDRN CCOc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(C)c2C#N)cc1OCC ZINC000266547362 1434348398 /nfs/dbraw/zinc/34/83/98/1434348398.db2.gz JZMKXDIXRMBAKL-HNNXBMFYSA-N 0 0 395.459 3.480 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccncc2)cc1C(F)(F)F ZINC000266558432 1434349543 /nfs/dbraw/zinc/34/95/43/1434349543.db2.gz PBMWBAPYZWUFJB-INIZCTEOSA-N 0 0 388.349 3.274 20 30 GGEDRN COc1cc(C)c([C@@H](C)NC(=O)C(=O)Nc2cccc(C)c2C#N)cc1OC ZINC000266567963 1434350326 /nfs/dbraw/zinc/35/03/26/1434350326.db2.gz OPAHVLYQPYZARC-CQSZACIVSA-N 0 0 381.432 3.008 20 30 GGEDRN CCc1ccc([C@H](COC)NC(=O)N(CCOC)Cc2ccc(C#N)cc2)o1 ZINC000266568997 1434350413 /nfs/dbraw/zinc/35/04/13/1434350413.db2.gz VQHBGNSCDFSOLL-IBGZPJMESA-N 0 0 385.464 3.259 20 30 GGEDRN CCC[C@H](CCO)CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000266578010 1434351171 /nfs/dbraw/zinc/35/11/71/1434351171.db2.gz BJOMJTWAZVTZDM-MRXNPFEDSA-N 0 0 395.459 3.204 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[C@@H](O)c1ccccc1 ZINC000266585220 1434351661 /nfs/dbraw/zinc/35/16/61/1434351661.db2.gz JOGBQGXJJWCQEK-CRAIPNDOSA-N 0 0 397.500 3.117 20 30 GGEDRN CCC(CC)(CNC(=O)C(=O)Nc1cccc(OCC#N)c1)c1ccccc1 ZINC000266607565 1434353914 /nfs/dbraw/zinc/35/39/14/1434353914.db2.gz NHFYFNMEWSSJJX-UHFFFAOYSA-N 0 0 379.460 3.402 20 30 GGEDRN COc1cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc(NC(C)=O)c1OC ZINC000266612384 1434354382 /nfs/dbraw/zinc/35/43/82/1434354382.db2.gz CMQDBUVYUZWWJX-UHFFFAOYSA-N 0 0 384.436 3.343 20 30 GGEDRN COCCOC[C@@H]1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000266612650 1434354653 /nfs/dbraw/zinc/35/46/53/1434354653.db2.gz IIBJAGQBDLDHQI-IAGOWNOFSA-N 0 0 391.537 3.004 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000266619519 1434355264 /nfs/dbraw/zinc/35/52/64/1434355264.db2.gz GJFKBTKGTUQYBJ-MSOLQXFVSA-N 0 0 377.444 3.031 20 30 GGEDRN C[C@H](CCO)CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000266630059 1434356253 /nfs/dbraw/zinc/35/62/53/1434356253.db2.gz RQVWZMGJPJBFJR-KDOFPFPSSA-N 0 0 399.878 3.069 20 30 GGEDRN CCC[C@@H](CCO)CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000266637057 1434357073 /nfs/dbraw/zinc/35/70/73/1434357073.db2.gz LWBVSQFRHMQSJR-KRWDZBQOSA-N 0 0 395.459 3.204 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC000266642208 1434357763 /nfs/dbraw/zinc/35/77/63/1434357763.db2.gz JJMVJDNFNQAJJD-YLJYHZDGSA-N 0 0 377.444 3.055 20 30 GGEDRN CCO[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C12CCC2 ZINC000266647130 1434358453 /nfs/dbraw/zinc/35/84/53/1434358453.db2.gz KCFUPKPSHIJSKK-IRXDYDNUSA-N 0 0 387.505 3.095 20 30 GGEDRN N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000266650123 1434358949 /nfs/dbraw/zinc/35/89/49/1434358949.db2.gz KOYHMPOVXKGLBF-AEFFLSMTSA-N 0 0 379.485 3.378 20 30 GGEDRN C[C@@H](O)CC(C)(C)CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000266657624 1434360061 /nfs/dbraw/zinc/36/00/61/1434360061.db2.gz LMUBGYWCMILPEG-OAHLLOKOSA-N 0 0 395.459 3.202 20 30 GGEDRN C[C@H](O)CC(C)(C)CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000266657619 1434360092 /nfs/dbraw/zinc/36/00/92/1434360092.db2.gz LMUBGYWCMILPEG-HNNXBMFYSA-N 0 0 395.459 3.202 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C[C@@H](C)CC)cc1 ZINC000266669557 1434361756 /nfs/dbraw/zinc/36/17/56/1434361756.db2.gz IUNPWVYVJZFSNX-DLBZAZTESA-N 0 0 385.508 3.380 20 30 GGEDRN N#Cc1c2c(sc1NC(=O)c1cn(Cc3ccccn3)nn1)CCCCC2 ZINC000266672098 1434361953 /nfs/dbraw/zinc/36/19/53/1434361953.db2.gz SUIGIFKSDVMSFH-UHFFFAOYSA-N 0 0 378.461 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1434364004 /nfs/dbraw/zinc/36/40/04/1434364004.db2.gz TUNXYIJVPQCEMK-UHFFFAOYSA-N 0 0 389.358 3.230 20 30 GGEDRN COC(C)(C)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000266696934 1434364525 /nfs/dbraw/zinc/36/45/25/1434364525.db2.gz MISQJVCOGLXZIA-ZIAGYGMSSA-N 0 0 377.510 3.339 20 30 GGEDRN CN(C)C(=O)C[C@H]1CN(C(=O)NCC#Cc2ccccc2)c2ccc(Cl)cc21 ZINC000266711762 1434366409 /nfs/dbraw/zinc/36/64/09/1434366409.db2.gz YWVPWZKPWZLPPA-KRWDZBQOSA-N 0 0 395.890 3.483 20 30 GGEDRN COC(C)(C)C[C@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000266740075 1434369915 /nfs/dbraw/zinc/36/99/15/1434369915.db2.gz WUUXVAWNNRVZDN-KBPBESRZSA-N 0 0 377.510 3.197 20 30 GGEDRN COC(C)(C)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000266740084 1434370015 /nfs/dbraw/zinc/37/00/15/1434370015.db2.gz WUUXVAWNNRVZDN-ZIAGYGMSSA-N 0 0 377.510 3.197 20 30 GGEDRN C[C@@H](CNC(=O)OC(C)(C)C)N(C)CC(=O)Nc1ccccc1SCC#N ZINC000266748625 1434370851 /nfs/dbraw/zinc/37/08/51/1434370851.db2.gz PHZJCJNTWMDOGY-AWEZNQCLSA-N 0 0 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CC(CN(CCC#N)Cc1ccccn1)CN(CCC#N)Cc1ccccn1 ZINC000267466881 1434436823 /nfs/dbraw/zinc/43/68/23/1434436823.db2.gz WRNMPJFHOJCNNN-UHFFFAOYSA-N 0 0 376.508 3.244 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000267478644 1434438524 /nfs/dbraw/zinc/43/85/24/1434438524.db2.gz RKOFJTMBBYMKCR-GOSISDBHSA-N 0 0 390.455 3.420 20 30 GGEDRN COc1cc(NC2CCN(C(=O)COc3ccccc3C#N)CC2)cc(OC)c1 ZINC000267484120 1434439406 /nfs/dbraw/zinc/43/94/06/1434439406.db2.gz ADVIOKYUQLTADZ-UHFFFAOYSA-N 0 0 395.459 3.057 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000267487503 1434439613 /nfs/dbraw/zinc/43/96/13/1434439613.db2.gz VRZLYUKRMSKCRL-BLVKFPJESA-N 0 0 381.407 3.084 20 30 GGEDRN CCN(CCC#N)C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC000267487917 1434439848 /nfs/dbraw/zinc/43/98/48/1434439848.db2.gz UYBCOVSUERKKNV-UHFFFAOYSA-N 0 0 392.525 3.407 20 30 GGEDRN C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 ZINC000267514016 1434442663 /nfs/dbraw/zinc/44/26/63/1434442663.db2.gz IGTUBEJYGVSQFP-AWEZNQCLSA-N 0 0 375.469 3.073 20 30 GGEDRN CO/N=C(/C(=O)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)c1ccco1 ZINC000267533220 1434444233 /nfs/dbraw/zinc/44/42/33/1434444233.db2.gz RFKDTIHAAFCKFJ-SSPLZPMDSA-N 0 0 383.360 3.137 20 30 GGEDRN CC(C)(C)OC(=O)N1CCN(Cc2csc(-c3ccccn3)n2)[C@@H](C#N)C1 ZINC000267537767 1434444426 /nfs/dbraw/zinc/44/44/26/1434444426.db2.gz NFMAWBTZDYXJFI-HNNXBMFYSA-N 0 0 385.493 3.150 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CCOc1cccc(C(N)=O)c1 ZINC000267543506 1434444778 /nfs/dbraw/zinc/44/47/78/1434444778.db2.gz BFTLOCDNXOPCTP-AWEZNQCLSA-N 0 0 383.473 3.445 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CCOc1cccc(C(N)=O)c1 ZINC000267543508 1434444842 /nfs/dbraw/zinc/44/48/42/1434444842.db2.gz BFTLOCDNXOPCTP-CQSZACIVSA-N 0 0 383.473 3.445 20 30 GGEDRN CC1(C)CN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CCS1 ZINC000267561686 1434446089 /nfs/dbraw/zinc/44/60/89/1434446089.db2.gz NSDSWYYXWDFJPS-UHFFFAOYSA-N 0 0 396.472 3.038 20 30 GGEDRN CCC(CC)(CO)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000267562428 1434446168 /nfs/dbraw/zinc/44/61/68/1434446168.db2.gz GQQZARFWQHNZAW-UHFFFAOYSA-N 0 0 391.522 3.375 20 30 GGEDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000267570180 1434446541 /nfs/dbraw/zinc/44/65/41/1434446541.db2.gz NMGFTFDOSGFVSO-SWLSCSKDSA-N 0 0 397.447 3.279 20 30 GGEDRN COCCOc1ccccc1/C=C/C(=O)c1ccc(OCC(=O)N(C)C)cc1 ZINC000267572333 1434446719 /nfs/dbraw/zinc/44/67/19/1434446719.db2.gz IWSDFFDGICTDTO-JLHYYAGUSA-N 0 0 383.444 3.075 20 30 GGEDRN C[C@@H](c1cccc(N[C@@H]2CCN(c3sccc3C#N)C2=O)c1)N1CCOCC1 ZINC000267572082 1434446736 /nfs/dbraw/zinc/44/67/36/1434446736.db2.gz NXRHZLUIBMEACJ-HNAYVOBHSA-N 0 0 396.516 3.230 20 30 GGEDRN CC(C)(C)NC(=O)c1ccc(N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000267572037 1434446758 /nfs/dbraw/zinc/44/67/58/1434446758.db2.gz NVYAHXAJSSDFFC-LJQANCHMSA-N 0 0 376.460 3.304 20 30 GGEDRN COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000267573285 1434446779 /nfs/dbraw/zinc/44/67/79/1434446779.db2.gz DWLZKJLVLADIGU-QGTPRVQTSA-N 0 0 387.480 3.007 20 30 GGEDRN C[C@H](c1cccc(N[C@H]2CCN(c3sccc3C#N)C2=O)c1)N1CCOCC1 ZINC000267572077 1434446864 /nfs/dbraw/zinc/44/68/64/1434446864.db2.gz NXRHZLUIBMEACJ-BEFAXECRSA-N 0 0 396.516 3.230 20 30 GGEDRN O=C(NCC#Cc1ccccc1)C(=O)Nc1ccccc1N1CCCCCC1 ZINC000267577321 1434447206 /nfs/dbraw/zinc/44/72/06/1434447206.db2.gz SHHVSDWLYKRAGF-UHFFFAOYSA-N 0 0 375.472 3.173 20 30 GGEDRN CC(C)(C)NC(=O)c1ccc(N[C@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000267578257 1434447230 /nfs/dbraw/zinc/44/72/30/1434447230.db2.gz QEXXWXNQQGXPFP-INIZCTEOSA-N 0 0 382.489 3.365 20 30 GGEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCO)CCCO)cc1Cl ZINC000267579307 1434447275 /nfs/dbraw/zinc/44/72/75/1434447275.db2.gz KJHYUXFMZBFFOT-SFHVURJKSA-N 0 0 387.867 3.204 20 30 GGEDRN CNS(=O)(=O)c1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)o1 ZINC000267577065 1434447335 /nfs/dbraw/zinc/44/73/35/1434447335.db2.gz KMLSHNKNBQHMFW-NSHDSACASA-N 0 0 393.490 3.000 20 30 GGEDRN COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000267586687 1434447828 /nfs/dbraw/zinc/44/78/28/1434447828.db2.gz HZHUTHGOJLBUBE-KBXCAEBGSA-N 0 0 386.452 3.021 20 30 GGEDRN N#Cc1ccsc1N1CC[C@H](Nc2ccc(N3CCCC3=O)c(F)c2)C1=O ZINC000267590139 1434448102 /nfs/dbraw/zinc/44/81/02/1434448102.db2.gz UJJWPVXGXBHVHE-HNNXBMFYSA-N 0 0 384.436 3.103 20 30 GGEDRN CC(=O)Nc1cccc2c1CCCN2[C@H]1CCN(c2sccc2C#N)C1=O ZINC000267594232 1434448325 /nfs/dbraw/zinc/44/83/25/1434448325.db2.gz JVYBJFAVVQUFKY-SFHVURJKSA-N 0 0 380.473 3.136 20 30 GGEDRN CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(F)cc1C#N)C[C@H]1CCCO1 ZINC000267593072 1434448383 /nfs/dbraw/zinc/44/83/83/1434448383.db2.gz VEQFMPYIVVGXSK-OAHLLOKOSA-N 0 0 377.416 3.052 20 30 GGEDRN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000267598196 1434448746 /nfs/dbraw/zinc/44/87/46/1434448746.db2.gz LAIWNROUJJVJNB-HXUWFJFHSA-N 0 0 395.434 3.262 20 30 GGEDRN N#Cc1cccnc1Oc1ccccc1N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000267599916 1434448809 /nfs/dbraw/zinc/44/88/09/1434448809.db2.gz XBUWTXRISMURCA-AWEZNQCLSA-N 0 0 376.338 3.321 20 30 GGEDRN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000267607978 1434449523 /nfs/dbraw/zinc/44/95/23/1434449523.db2.gz CCUQYHVVRBTPJE-CRAIPNDOSA-N 0 0 389.521 3.198 20 30 GGEDRN C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000267637310 1434451896 /nfs/dbraw/zinc/45/18/96/1434451896.db2.gz USRRYNBLCZSECG-SUMDDJOVSA-N 0 0 386.455 3.390 20 30 GGEDRN CS(=O)(=O)CC1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000267650740 1434452761 /nfs/dbraw/zinc/45/27/61/1434452761.db2.gz ADBIWNQGEOWMGO-UHFFFAOYSA-N 0 0 399.472 3.297 20 30 GGEDRN COCCOc1ccccc1COC(=O)/C=C/c1ccc(OCC#N)c(OC)c1 ZINC000267650852 1434452809 /nfs/dbraw/zinc/45/28/09/1434452809.db2.gz LDKFIXJKWYLVFS-CSKARUKUSA-N 0 0 397.427 3.379 20 30 GGEDRN CO[C@@H](C)c1nc(CN2CCCN(C(=O)Nc3ccc(C#N)cc3)CC2)cs1 ZINC000267671517 1434454253 /nfs/dbraw/zinc/45/42/53/1434454253.db2.gz ZKHFUGSYJFKHMH-HNNXBMFYSA-N 0 0 399.520 3.462 20 30 GGEDRN CCCS(=O)(=O)Nc1ccc(N[C@H](C(=O)OC)c2cccc(C#N)c2)cc1 ZINC000267687310 1434455595 /nfs/dbraw/zinc/45/55/95/1434455595.db2.gz NPHBIMXGQKCZAL-SFHVURJKSA-N 0 0 387.461 3.036 20 30 GGEDRN C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N=C3CCCCCN3)cc2)C[C@H]1C ZINC000267695766 1434455958 /nfs/dbraw/zinc/45/59/58/1434455958.db2.gz HXSULRLSRFUNIS-GASCZTMLSA-N 0 0 392.525 3.057 20 30 GGEDRN COC(=O)C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCO1 ZINC000267698175 1434456305 /nfs/dbraw/zinc/45/63/05/1434456305.db2.gz BKFNGSJMTZHKJN-LJQANCHMSA-N 0 0 395.415 3.146 20 30 GGEDRN N#Cc1ccsc1N1CC[C@H](N2CCC([C@@H](O)c3ccccc3)CC2)C1=O ZINC000267699665 1434456429 /nfs/dbraw/zinc/45/64/29/1434456429.db2.gz QBRGPCYCBTZKNH-OALUTQOASA-N 0 0 381.501 3.171 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCc2c(F)ccc(F)c2C1 ZINC000267722763 1434458406 /nfs/dbraw/zinc/45/84/06/1434458406.db2.gz LJUJJGVJFWFRMQ-UHFFFAOYSA-N 0 0 395.413 3.014 20 30 GGEDRN N#Cc1ccsc1N1CC[C@H](N2CC=C(c3c[nH]c4ncccc34)CC2)C1=O ZINC000267723117 1434458535 /nfs/dbraw/zinc/45/85/35/1434458535.db2.gz VLRGCOQYHDADSM-SFHVURJKSA-N 0 0 389.484 3.391 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)NCc1csc([C@H](C)OC)n1 ZINC000267724190 1434458679 /nfs/dbraw/zinc/45/86/79/1434458679.db2.gz LLWMHEWLEKHGKR-ZDUSSCGKSA-N 0 0 389.477 3.206 20 30 GGEDRN COCCOC(=O)Nc1cccc(N[C@@H](C(=O)OC)c2cccc(C#N)c2)c1 ZINC000267727775 1434458938 /nfs/dbraw/zinc/45/89/38/1434458938.db2.gz WKYOFTBYNKSOFL-GOSISDBHSA-N 0 0 383.404 3.079 20 30 GGEDRN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000267734506 1434459494 /nfs/dbraw/zinc/45/94/94/1434459494.db2.gz QFUZDTONGDLTKU-CJNGLKHVSA-N 0 0 397.397 3.083 20 30 GGEDRN CCn1nc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1C1CC1 ZINC000267758568 1434461853 /nfs/dbraw/zinc/46/18/53/1434461853.db2.gz WNZNUWCGDKYNHI-UHFFFAOYSA-N 0 0 392.507 3.392 20 30 GGEDRN Cn1ncc2c1CCC[C@@H]2NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000267763758 1434462128 /nfs/dbraw/zinc/46/21/28/1434462128.db2.gz QNTURPYEERCOEY-INIZCTEOSA-N 0 0 376.382 3.167 20 30 GGEDRN COc1cc(NC(=O)CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc(OC)c1 ZINC000267794951 1434465436 /nfs/dbraw/zinc/46/54/36/1434465436.db2.gz YFPBMSLRTRBKEK-UHFFFAOYSA-N 0 0 396.447 3.265 20 30 GGEDRN COC(=O)[C@@]1(F)CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000267798623 1434465909 /nfs/dbraw/zinc/46/59/09/1434465909.db2.gz YYGYCMVJJWQROU-HXUWFJFHSA-N 0 0 383.379 3.469 20 30 GGEDRN CO[C@H](C)c1nc(CN2CCCN(C(=O)c3cccc(C#N)c3)CC2)cs1 ZINC000267803893 1434466353 /nfs/dbraw/zinc/46/63/53/1434466353.db2.gz YDXQCZJGWOHLJB-OAHLLOKOSA-N 0 0 384.505 3.070 20 30 GGEDRN CC1(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCOCC1 ZINC000267822832 1434468321 /nfs/dbraw/zinc/46/83/21/1434468321.db2.gz ACMHHVGTCIWCIH-UHFFFAOYSA-N 0 0 393.443 3.222 20 30 GGEDRN CCN(CCC#N)C(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 ZINC000267840781 1434469617 /nfs/dbraw/zinc/46/96/17/1434469617.db2.gz LJNOJPPNURKQMD-INIZCTEOSA-N 0 0 385.489 3.102 20 30 GGEDRN CO[C@H]1CCN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 ZINC000267860357 1434471395 /nfs/dbraw/zinc/47/13/95/1434471395.db2.gz HDKFUADJFMGBIC-KRWDZBQOSA-N 0 0 395.484 3.150 20 30 GGEDRN N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1CCc2c1cccc2O ZINC000267872245 1434472631 /nfs/dbraw/zinc/47/26/31/1434472631.db2.gz ZIRJYEJMPKTFQE-HNNXBMFYSA-N 0 0 381.457 3.140 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NCc2csc([C@@H](C)OC)n2)c1 ZINC000267877937 1434473234 /nfs/dbraw/zinc/47/32/34/1434473234.db2.gz MCZQOWOOSPGMTI-CYBMUJFWSA-N 0 0 389.477 3.060 20 30 GGEDRN CC(C)C1(CNC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC1 ZINC000267886303 1434473987 /nfs/dbraw/zinc/47/39/87/1434473987.db2.gz VRELIEYPUJVVLW-UHFFFAOYSA-N 0 0 378.432 3.236 20 30 GGEDRN COC(=O)[C@@H](C)CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000267922695 1434477292 /nfs/dbraw/zinc/47/72/92/1434477292.db2.gz JGAGXZGLBFVILA-HNNXBMFYSA-N 0 0 381.432 3.262 20 30 GGEDRN COC(=O)C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CCO1 ZINC000267925201 1434477601 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CC[C@H](C)Oc1cccc(NC(=O)C(=O)N(CCC#N)Cc2cccnc2)c1 ZINC000275561398 1435148624 /nfs/dbraw/zinc/14/86/24/1435148624.db2.gz WDFZCXIMVRRQKL-INIZCTEOSA-N 0 0 380.448 3.140 20 30 GGEDRN CN(CC1(O)CCOCC1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000275585388 1435150592 /nfs/dbraw/zinc/15/05/92/1435150592.db2.gz GFTUCIJZMRLKIW-UHFFFAOYSA-N 0 0 381.432 3.356 20 30 GGEDRN Cc1cc(NC(=O)C(=O)Nc2cccc(OC3CCCC3)c2)nn1CCC#N ZINC000275608165 1435152378 /nfs/dbraw/zinc/15/23/78/1435152378.db2.gz GLPCXSUFRGQWKX-UHFFFAOYSA-N 0 0 381.436 3.004 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(C(C)C)c1 ZINC000275610743 1435152754 /nfs/dbraw/zinc/15/27/54/1435152754.db2.gz JPUBBCFPFMOFQW-UHFFFAOYSA-N 0 0 381.432 3.284 20 30 GGEDRN CCN(CCC#N)C(=O)C(=O)Nc1ccc(Oc2ccccc2OC)c(F)c1 ZINC000275614712 1435152934 /nfs/dbraw/zinc/15/29/34/1435152934.db2.gz HFZSTQDIHVZPEM-UHFFFAOYSA-N 0 0 385.395 3.327 20 30 GGEDRN CCOC(C)(C)CN1C(=O)[C@@H](CC(=O)NC)S/C1=N\[C@@H](C)c1cccs1 ZINC000275616133 1435153148 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COc1cccc(COc2cccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)c2C)c1 ZINC000275692599 1435160157 /nfs/dbraw/zinc/16/01/57/1435160157.db2.gz MWJHZQFTPBSGNT-HNNXBMFYSA-N 0 0 395.459 3.139 20 30 GGEDRN CC[C@@H](C)Oc1cccc(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1 ZINC000275698941 1435160764 /nfs/dbraw/zinc/16/07/64/1435160764.db2.gz KONJWNIPIIQTQR-CYBMUJFWSA-N 0 0 383.452 3.264 20 30 GGEDRN Cc1cc(NC(=O)C(=O)Nc2ccc(C)c(C(F)(F)F)c2)nn1CCC#N ZINC000275707260 1435161462 /nfs/dbraw/zinc/16/14/62/1435161462.db2.gz YMTZGLPSBXGNKQ-UHFFFAOYSA-N 0 0 379.342 3.010 20 30 GGEDRN C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000275713213 1435162108 /nfs/dbraw/zinc/16/21/08/1435162108.db2.gz QLDZXXPAQIOYDN-CQSZACIVSA-N 0 0 385.851 3.476 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000275723572 1435163041 /nfs/dbraw/zinc/16/30/41/1435163041.db2.gz OMRJIMSOIZYETG-GOSISDBHSA-N 0 0 379.416 3.002 20 30 GGEDRN Cc1cc(NC(=O)Nc2cccc(CN3CCCCC3=O)c2)nn1CCC#N ZINC000275734560 1435163755 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COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(CC1CC1)C1CCCCC1 ZINC000275762868 1435166779 /nfs/dbraw/zinc/16/67/79/1435166779.db2.gz GLJJTHRZVOEOFS-UHFFFAOYSA-N 0 0 399.491 3.093 20 30 GGEDRN CCOc1cc(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)ccc1OC ZINC000275762658 1435166791 /nfs/dbraw/zinc/16/67/91/1435166791.db2.gz TXMYNEZDBIKCSF-UHFFFAOYSA-N 0 0 397.431 3.354 20 30 GGEDRN CC[C@@H](C#N)Sc1nnc(-c2ccc(OC)c(OC)c2)n1CCCOC ZINC000275766126 1435167002 /nfs/dbraw/zinc/16/70/02/1435167002.db2.gz SKOWCUFKAIVDLG-AWEZNQCLSA-N 0 0 376.482 3.393 20 30 GGEDRN CC1(C)CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC[C@H]1O ZINC000275765603 1435167058 /nfs/dbraw/zinc/16/70/58/1435167058.db2.gz AGWXGVZQNSGSLO-LJQANCHMSA-N 0 0 392.459 3.435 20 30 GGEDRN Cc1ccnc(Oc2ccc(NC(=O)C(=O)N(CCC#N)CCC(C)C)cc2)n1 ZINC000275781573 1435168479 /nfs/dbraw/zinc/16/84/79/1435168479.db2.gz APTCDESZSPXTFL-UHFFFAOYSA-N 0 0 395.463 3.304 20 30 GGEDRN N#C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)CCO1 ZINC000275786877 1435169390 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COc1ccc([C@H](CCO)NC(=O)Nc2ncccc2OCCCC#N)cc1 ZINC000276071217 1435189240 /nfs/dbraw/zinc/18/92/40/1435189240.db2.gz LYKYBMFFZBIAJU-KRWDZBQOSA-N 0 0 384.436 3.018 20 30 GGEDRN C=CCCN(C)C(=O)C(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 ZINC000276075111 1435189578 /nfs/dbraw/zinc/18/95/78/1435189578.db2.gz AKERIJLLOXJLCQ-UHFFFAOYSA-N 0 0 375.469 3.027 20 30 GGEDRN COCCCN(CCO)C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000276082491 1435189912 /nfs/dbraw/zinc/18/99/12/1435189912.db2.gz XEGBHHCIHDQACC-UHFFFAOYSA-N 0 0 384.501 3.322 20 30 GGEDRN COC(=O)c1cc(CN(C)C(=O)Nc2ncccc2OCCCC#N)oc1C ZINC000276090088 1435190254 /nfs/dbraw/zinc/19/02/54/1435190254.db2.gz PMELLWABZWUFIB-UHFFFAOYSA-N 0 0 386.408 3.116 20 30 GGEDRN C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)c1ccc([S@](C)=O)cc1 ZINC000276088300 1435190275 /nfs/dbraw/zinc/19/02/75/1435190275.db2.gz PCSHPOAEOPPSCS-ASHKIFAZSA-N 0 0 386.477 3.384 20 30 GGEDRN C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F ZINC000276095068 1435190522 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GGEDRN Cc1csc(C2(NC(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)CCC2)n1 ZINC000278098011 1435359001 /nfs/dbraw/zinc/35/90/01/1435359001.db2.gz QKHBCVYATDJURX-UHFFFAOYSA-N 0 0 382.489 3.387 20 30 GGEDRN C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000278100467 1435359265 /nfs/dbraw/zinc/35/92/65/1435359265.db2.gz OMOKZMGLIJTYSU-SECBINFHSA-N 0 0 380.313 3.369 20 30 GGEDRN CC1CCN(c2ccc(NC(=O)C(=O)Nc3cccc(OCC#N)c3)cc2)CC1 ZINC000278103942 1435359623 /nfs/dbraw/zinc/35/96/23/1435359623.db2.gz RIDCMJCEDMBQSP-UHFFFAOYSA-N 0 0 392.459 3.402 20 30 GGEDRN C=CCc1cc(C(=O)NCCOCC(F)(F)C(F)F)cc(OC)c1OC ZINC000278103401 1435359628 /nfs/dbraw/zinc/35/96/28/1435359628.db2.gz ZNVPMXDLZYFNDC-UHFFFAOYSA-N 0 0 379.350 3.079 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)C(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000278118847 1435361645 /nfs/dbraw/zinc/36/16/45/1435361645.db2.gz UEIOJXRMBHWYIH-UHFFFAOYSA-N 0 0 383.835 3.354 20 30 GGEDRN C=CCCCc1nc(CC(=O)Nc2cc(Cl)ccc2N2CCOCC2)no1 ZINC000278170553 1435365969 /nfs/dbraw/zinc/36/59/69/1435365969.db2.gz WILSRALEVKOQHT-UHFFFAOYSA-N 0 0 390.871 3.250 20 30 GGEDRN C#CCN1CCC(c2nc(Cc3ccc(OC)c(OC(F)F)c3)no2)CC1 ZINC000278180881 1435367250 /nfs/dbraw/zinc/36/72/50/1435367250.db2.gz UHBSHXSLAGGHLX-UHFFFAOYSA-N 0 0 377.391 3.083 20 30 GGEDRN C[C@@H]1C[C@H](NC(=O)Cc2cccc(OCC#N)c2)CCN1C(=O)OC(C)(C)C ZINC000278207217 1435369444 /nfs/dbraw/zinc/36/94/44/1435369444.db2.gz CXIDRQCJQGXAQS-NVXWUHKLSA-N 0 0 387.480 3.036 20 30 GGEDRN C[C@@H]1CCN2C(=O)N(c3cccc(C(=O)Nc4cccc(C#N)c4)c3)C(=O)[C@H]2C1 ZINC000278208801 1435369562 /nfs/dbraw/zinc/36/95/62/1435369562.db2.gz QWUZHFKDTRKYKY-AUUYWEPGSA-N 0 0 388.427 3.378 20 30 GGEDRN CCO[C@H](CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000278256721 1435374127 /nfs/dbraw/zinc/37/41/27/1435374127.db2.gz VXOYXIQICKDJCU-HXUWFJFHSA-N 0 0 395.459 3.202 20 30 GGEDRN N#CCOc1ccc(CNC(=O)N2CCC(CO)(Cc3ccccc3)CC2)cc1 ZINC000278273398 1435375398 /nfs/dbraw/zinc/37/53/98/1435375398.db2.gz YMFKORMLYFLGKV-UHFFFAOYSA-N 0 0 393.487 3.116 20 30 GGEDRN C=CC[C@@H]1N(C(=O)C(=O)Nc2ccccc2C[S@@](C)=O)CCCC1(C)C ZINC000278287758 1435376605 /nfs/dbraw/zinc/37/66/05/1435376605.db2.gz KRACZFYRBHRRFM-MRDQGFSESA-N 0 0 376.522 3.097 20 30 GGEDRN N#CCCN(C(=O)CCC(=O)NCc1ccc2c(n1)CCCC2)c1ccccc1 ZINC000278289386 1435376777 /nfs/dbraw/zinc/37/67/77/1435376777.db2.gz BCRJSTNHSNJUTN-UHFFFAOYSA-N 0 0 390.487 3.304 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)n1 ZINC000278290221 1435376784 /nfs/dbraw/zinc/37/67/84/1435376784.db2.gz ADZCLYQCAOLZCF-MRXNPFEDSA-N 0 0 395.463 3.107 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1 ZINC000278303911 1435377802 /nfs/dbraw/zinc/37/78/02/1435377802.db2.gz ALNWMXCAYIVJGW-UHFFFAOYSA-N 0 0 395.459 3.373 20 30 GGEDRN C=C[C@H](CC(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccccc1 ZINC000278308183 1435378320 /nfs/dbraw/zinc/37/83/20/1435378320.db2.gz JKHXTBLIWRLUCR-MRXNPFEDSA-N 0 0 376.464 3.158 20 30 GGEDRN C=CC[C@@H]1N(C(=O)C(=O)Nc2ccc([S@@](C)=O)c(F)c2)CCCC1(C)C ZINC000278308809 1435378392 /nfs/dbraw/zinc/37/83/92/1435378392.db2.gz MNLOUTZAFVPODX-YHAMSUFESA-N 0 0 380.485 3.095 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000278319930 1435379539 /nfs/dbraw/zinc/37/95/39/1435379539.db2.gz AFAGRVIUJDLPCH-OAHLLOKOSA-N 0 0 392.818 3.412 20 30 GGEDRN CCC[C@]1(CO)CCCN1C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000278321145 1435379713 /nfs/dbraw/zinc/37/97/13/1435379713.db2.gz NLJXBUWDYQNSDH-MGPUTAFESA-N 0 0 389.521 3.030 20 30 GGEDRN C[C@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1nccs1)[n+]1cc([O-])ccc1F ZINC000278348455 1435382243 /nfs/dbraw/zinc/38/22/43/1435382243.db2.gz WVBYIEANVWPWMB-AAEUAGOBSA-O 0 0 394.517 3.382 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278346886 1435382271 /nfs/dbraw/zinc/38/22/71/1435382271.db2.gz CRJGJCCHRGDEKC-OAHLLOKOSA-N 0 0 399.426 3.374 20 30 GGEDRN C#CC[C@]1(C(=O)NC[C@@H](C)c2c(C)noc2C)CCCN1C(=O)OC(C)(C)C ZINC000278352495 1435382888 /nfs/dbraw/zinc/38/28/88/1435382888.db2.gz KYXWHZLFUAZFHK-SPLOXXLWSA-N 0 0 389.496 3.304 20 30 GGEDRN C=CC[C@@H]1N(C(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC)c2)CCCC1(C)C ZINC000278358294 1435383487 /nfs/dbraw/zinc/38/34/87/1435383487.db2.gz RFVNBDPWPBPUQP-INIZCTEOSA-N 0 0 391.899 3.231 20 30 GGEDRN C=CCn1c(SCc2nnc3n2CCCC3)nnc1-c1ccc(OC)cc1 ZINC000278371200 1435384802 /nfs/dbraw/zinc/38/48/02/1435384802.db2.gz ZOWDNCXBBBXXRS-UHFFFAOYSA-N 0 0 382.493 3.360 20 30 GGEDRN C=C(C)[C@@H](NC(=O)N(C)Cc1ncnn1CC(F)F)c1ccc(F)c(F)c1 ZINC000278375021 1435385081 /nfs/dbraw/zinc/38/50/81/1435385081.db2.gz AASSZWGXIOIRMX-MRXNPFEDSA-N 0 0 385.365 3.280 20 30 GGEDRN C=CC[C@H]1N(C(=O)C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)CCCC1(C)C ZINC000278382169 1435385742 /nfs/dbraw/zinc/38/57/42/1435385742.db2.gz UKMOKEAXYUKNTI-QGZVFWFLSA-N 0 0 389.471 3.059 20 30 GGEDRN C=CC[C@@H]1N(C(=O)C(=O)Nc2nc(-c3nccn3C)cs2)CCCC1(C)C ZINC000278402955 1435387796 /nfs/dbraw/zinc/38/77/96/1435387796.db2.gz WRJKPSVDGKNZDU-AWEZNQCLSA-N 0 0 387.509 3.075 20 30 GGEDRN C=CC[C@H]1N(C(=O)C(=O)Nc2nc(-c3nccn3C)cs2)CCCC1(C)C ZINC000278402958 1435387852 /nfs/dbraw/zinc/38/78/52/1435387852.db2.gz WRJKPSVDGKNZDU-CQSZACIVSA-N 0 0 387.509 3.075 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)N2CCC(c3ncc(C)s3)CC2)c1 ZINC000278406986 1435388293 /nfs/dbraw/zinc/38/82/93/1435388293.db2.gz PFXJNGFEOOODGF-UHFFFAOYSA-N 0 0 385.489 3.361 20 30 GGEDRN C=CC[C@H]1N(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CCCC1(C)C ZINC000278455109 1435392066 /nfs/dbraw/zinc/39/20/66/1435392066.db2.gz SDSJNUQZVZAOHT-MRXNPFEDSA-N 0 0 380.466 3.205 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)C(=O)Nc1cnn(C2CCCC2)c1C ZINC000278453089 1435392072 /nfs/dbraw/zinc/39/20/72/1435392072.db2.gz XVGCUQVKNZEALI-UHFFFAOYSA-N 0 0 384.411 3.035 20 30 GGEDRN C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CCN1C(=O)OC(C)(C)C ZINC000278454883 1435392104 /nfs/dbraw/zinc/39/21/04/1435392104.db2.gz GRXCZMPPRAPPQM-MAUKXSAKSA-N 0 0 386.496 3.488 20 30 GGEDRN C#CC[C@@]1(C(=O)NCc2ccc(C(C)=O)c(C)n2)CCCN1C(=O)OC(C)(C)C ZINC000278465483 1435393039 /nfs/dbraw/zinc/39/30/39/1435393039.db2.gz WCAGCKCRETWLJN-QFIPXVFZSA-N 0 0 399.491 3.002 20 30 GGEDRN Cc1[nH]nc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c1C#N ZINC000278512405 1435396158 /nfs/dbraw/zinc/39/61/58/1435396158.db2.gz AZZBMULCGZYEFA-AWEZNQCLSA-N 0 0 392.246 3.140 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCc3cc(F)ccc32)cc1 ZINC000278515532 1435396415 /nfs/dbraw/zinc/39/64/15/1435396415.db2.gz BWMSVMHPXAEBRX-XIKOKIGWSA-N 0 0 387.436 3.320 20 30 GGEDRN Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)N[C@@H](C)c3ccc(C#N)cc3)n2)c1 ZINC000278537822 1435398094 /nfs/dbraw/zinc/39/80/94/1435398094.db2.gz ROAYLJRIMPAYNU-KBPBESRZSA-N 0 0 375.436 3.168 20 30 GGEDRN C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccncc2)cc1 ZINC000278539825 1435398330 /nfs/dbraw/zinc/39/83/30/1435398330.db2.gz GGCPHTCFNNIIIO-KSSFIOAISA-N 0 0 384.461 3.136 20 30 GGEDRN N#Cc1ccccc1CS(=O)(=O)c1nnc(C2CC2)n1Cc1ccccc1 ZINC000278540138 1435398354 /nfs/dbraw/zinc/39/83/54/1435398354.db2.gz JTRAQEWTTDRQCA-UHFFFAOYSA-N 0 0 378.457 3.049 20 30 GGEDRN CC(C)(C)c1nnc(CNCc2cn(CCC#N)nc2-c2ccncc2)s1 ZINC000278548407 1435399157 /nfs/dbraw/zinc/39/91/57/1435399157.db2.gz BCKSTAHWXOLLSK-UHFFFAOYSA-N 0 0 381.509 3.298 20 30 GGEDRN CC1=C(C(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@H](C)n2ncnc2N1C ZINC000278549745 1435399296 /nfs/dbraw/zinc/39/92/96/1435399296.db2.gz GKQUNDLYWXCWTN-JSGCOSHPSA-N 0 0 382.493 3.453 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)[C@@H]3CCCC[C@@H]32)cc1 ZINC000278564226 1435400304 /nfs/dbraw/zinc/40/03/04/1435400304.db2.gz IQJRLYBXTKRJFI-KNCCTNLNSA-N 0 0 375.494 3.415 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)[C@H]3CCCC[C@H]32)cc1 ZINC000278564216 1435400309 /nfs/dbraw/zinc/40/03/09/1435400309.db2.gz IQJRLYBXTKRJFI-DTTOXWODSA-N 0 0 375.494 3.415 20 30 GGEDRN COC(=O)C[C@](C)(NC(=O)Nc1ccc(OC(C)C)c(C#N)c1)c1ccncc1 ZINC000278573946 1435401478 /nfs/dbraw/zinc/40/14/78/1435401478.db2.gz NZGTUESCHABXPW-NRFANRHFSA-N 0 0 396.447 3.340 20 30 GGEDRN Cc1cc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)n(-c2cc(C)ccn2)n1 ZINC000278576343 1435401767 /nfs/dbraw/zinc/40/17/67/1435401767.db2.gz XMBDFRGKXDDHPE-UHFFFAOYSA-N 0 0 390.447 3.045 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000278589386 1435402680 /nfs/dbraw/zinc/40/26/80/1435402680.db2.gz IASBRZULOKMHOR-RTBURBONSA-N 0 0 380.448 3.323 20 30 GGEDRN COC(=O)c1c[nH]c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1 ZINC000278592904 1435403409 /nfs/dbraw/zinc/40/34/09/1435403409.db2.gz HCLKUWASBVGIBB-NSHDSACASA-N 0 0 390.490 3.321 20 30 GGEDRN Cc1cc(NC(=O)N2CCC(c3ncc4n3CCCC4)CC2)nn1CCC#N ZINC000278599668 1435404039 /nfs/dbraw/zinc/40/40/39/1435404039.db2.gz BCGSNTFJSALDKA-UHFFFAOYSA-N 0 0 381.484 3.050 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NCc2cnc(N3CCOCC3)s2)cc1 ZINC000278602072 1435404388 /nfs/dbraw/zinc/40/43/88/1435404388.db2.gz FSOBWVSJZGWIEJ-UHFFFAOYSA-N 0 0 398.532 3.406 20 30 GGEDRN C[C@H]1OCC[C@@]1(O)CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000278605922 1435404529 /nfs/dbraw/zinc/40/45/29/1435404529.db2.gz BIVVYRUUEPHRKP-ZUOKHONESA-N 0 0 385.395 3.151 20 30 GGEDRN COc1cc(C)ccc1-c1noc(CCc2c(C)nc3c(C#N)cnn3c2C)n1 ZINC000278610697 1435405192 /nfs/dbraw/zinc/40/51/92/1435405192.db2.gz GMRAWAPJZCISPB-UHFFFAOYSA-N 0 0 388.431 3.370 20 30 GGEDRN N#CCCn1cc(CNc2cc(CSCCO)ccn2)c(-c2ccncc2)n1 ZINC000278625417 1435406944 /nfs/dbraw/zinc/40/69/44/1435406944.db2.gz FGCNZIHIZGDAFU-UHFFFAOYSA-N 0 0 394.504 3.091 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)N[C@@H](c2ccc(OC)cc2)C(F)(F)F)n1 ZINC000278650453 1435410106 /nfs/dbraw/zinc/41/01/06/1435410106.db2.gz DWSRXMMEJGAZFC-KRWDZBQOSA-N 0 0 394.397 3.360 20 30 GGEDRN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NC3(C#N)CCCCC3)[nH]n2)C1 ZINC000278655820 1435410668 /nfs/dbraw/zinc/41/06/68/1435410668.db2.gz MISOGQKMZIGNSY-CQSZACIVSA-N 0 0 387.484 3.090 20 30 GGEDRN Cc1[nH]nc(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)c1C#N ZINC000278657723 1435411021 /nfs/dbraw/zinc/41/10/21/1435411021.db2.gz PEPNIBHRVVYJSX-ZIAGYGMSSA-N 0 0 395.463 3.010 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)NCCc2ccc(OC(F)(F)F)cc2)n1 ZINC000278662816 1435411474 /nfs/dbraw/zinc/41/14/74/1435411474.db2.gz AXQBAJWVBAKDDI-UHFFFAOYSA-N 0 0 394.397 3.189 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccc(F)cc2OCC(F)F)n1 ZINC000278693021 1435414599 /nfs/dbraw/zinc/41/45/99/1435414599.db2.gz GYBDTICIUPIMFI-UHFFFAOYSA-N 0 0 380.370 3.353 20 30 GGEDRN Cc1[nH]nc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c1C#N ZINC000278707412 1435415845 /nfs/dbraw/zinc/41/58/45/1435415845.db2.gz SQAKJTCNWNHNGY-CQSZACIVSA-N 0 0 392.246 3.140 20 30 GGEDRN Cc1[nH]nc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c1C#N ZINC000278707410 1435415848 /nfs/dbraw/zinc/41/58/48/1435415848.db2.gz SQAKJTCNWNHNGY-AWEZNQCLSA-N 0 0 392.246 3.140 20 30 GGEDRN Cn1cc(CN2CCN(c3ccc(C#N)cc3Cl)CC2)c(-c2cccnc2)n1 ZINC000278719173 1435417064 /nfs/dbraw/zinc/41/70/64/1435417064.db2.gz PMCBOLSNCBEEMB-UHFFFAOYSA-N 0 0 392.894 3.329 20 30 GGEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)c3nc4cccnc4s3)CC2)c1 ZINC000278737794 1435418661 /nfs/dbraw/zinc/41/86/61/1435418661.db2.gz STUIUMQCTOIVNE-UHFFFAOYSA-N 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C#CCn1ccc(CN(CC)C(=O)Nc2cccc(COCCOCC)c2)n1 ZINC000279076552 1435458184 /nfs/dbraw/zinc/45/81/84/1435458184.db2.gz MFZSKKLLMULDSP-UHFFFAOYSA-N 0 0 384.480 3.123 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2cnc(Cc3ccccc3F)s2)n1 ZINC000279077435 1435458255 /nfs/dbraw/zinc/45/82/55/1435458255.db2.gz GWVFXVBIRVRCCH-UHFFFAOYSA-N 0 0 382.464 3.365 20 30 GGEDRN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279084711 1435458817 /nfs/dbraw/zinc/45/88/17/1435458817.db2.gz VGQWTVPNNDWASQ-SZMVWBNQSA-N 0 0 379.416 3.160 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000279101827 1435460424 /nfs/dbraw/zinc/46/04/24/1435460424.db2.gz QYYKBLSOPMEMMX-OAHLLOKOSA-N 0 0 382.439 3.208 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2cccc(NC(=O)NCC)c2C)n1 ZINC000279113343 1435461721 /nfs/dbraw/zinc/46/17/21/1435461721.db2.gz XEADOJRKTHIURE-UHFFFAOYSA-N 0 0 382.468 3.020 20 30 GGEDRN CCCCCCCCCN(C)C(=O)C(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000279127381 1435463012 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JNZOOVOWNVJLAN-UHFFFAOYSA-N 0 0 393.274 3.119 20 30 GGEDRN N#CCCN(C(=O)CCC(=O)N1CCOCc2ccccc21)c1ccccc1 ZINC000279431963 1435498611 /nfs/dbraw/zinc/49/86/11/1435498611.db2.gz LIEMNRSMBPHJEY-UHFFFAOYSA-N 0 0 377.444 3.277 20 30 GGEDRN Cc1cnc(C2CCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)s1 ZINC000279436222 1435499205 /nfs/dbraw/zinc/49/92/05/1435499205.db2.gz ORMLZSNOMYMAJV-UHFFFAOYSA-N 0 0 399.520 3.224 20 30 GGEDRN C[C@H]1OCC[C@@]12CN(C(=O)c1cccc(OCc3ccccc3C#N)c1)CCO2 ZINC000279437893 1435499474 /nfs/dbraw/zinc/49/94/74/1435499474.db2.gz LTYDFCVKQLNPMR-UZUQRXQVSA-N 0 0 392.455 3.157 20 30 GGEDRN CCn1nccc1C1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000279439658 1435499748 /nfs/dbraw/zinc/49/97/48/1435499748.db2.gz JSMUPCLWBCTOOJ-UHFFFAOYSA-N 0 0 375.432 3.449 20 30 GGEDRN CC(C)NC(=O)Nc1ccc(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279442733 1435500007 /nfs/dbraw/zinc/50/00/07/1435500007.db2.gz YSUWERPVLKRXCJ-IBGZPJMESA-N 0 0 389.459 3.087 20 30 GGEDRN N#Cc1ccc(CN(C(=O)C(=O)Nc2nc(C3CCC3)cs2)C2CC2)cc1 ZINC000279441480 1435500110 /nfs/dbraw/zinc/50/01/10/1435500110.db2.gz PERLBMZBYSZINW-UHFFFAOYSA-N 0 0 380.473 3.412 20 30 GGEDRN CO[C@]1(C)CCCN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000279469661 1435502831 /nfs/dbraw/zinc/50/28/31/1435502831.db2.gz DPZNVLJUSZEKRI-AUUYWEPGSA-N 0 0 375.494 3.047 20 30 GGEDRN CCOc1ccc(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1OC ZINC000279474816 1435503340 /nfs/dbraw/zinc/50/33/40/1435503340.db2.gz VZHHCCWOOQZVLD-UHFFFAOYSA-N 0 0 384.436 3.099 20 30 GGEDRN C#CCOc1ccccc1CNC(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000279477339 1435503517 /nfs/dbraw/zinc/50/35/17/1435503517.db2.gz MKIPORRYZCZLDB-UHFFFAOYSA-N 0 0 392.503 3.321 20 30 GGEDRN CC1(C)CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CCS1 ZINC000279478185 1435503607 /nfs/dbraw/zinc/50/36/07/1435503607.db2.gz NQXHXUJWDYGDDX-UHFFFAOYSA-N 0 0 375.494 3.052 20 30 GGEDRN C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000279482263 1435503973 /nfs/dbraw/zinc/50/39/73/1435503973.db2.gz FVRDQSPDSWGHTQ-HRCADAONSA-N 0 0 389.521 3.171 20 30 GGEDRN COC[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)[C@H]1CCCO1 ZINC000279489723 1435505044 /nfs/dbraw/zinc/50/50/44/1435505044.db2.gz OOFXRSMPDLHBQU-TZIWHRDSSA-N 0 0 380.444 3.061 20 30 GGEDRN C[C@H]1OCC[C@@]12CN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C[C@@H](C)O2 ZINC000279490695 1435505231 /nfs/dbraw/zinc/50/52/31/1435505231.db2.gz HSPRZIAYOHLNHN-PSTGCABASA-N 0 0 383.370 3.377 20 30 GGEDRN C[C@@H]1OCC[C@@]12CN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C[C@@H](C)O2 ZINC000279490686 1435505252 /nfs/dbraw/zinc/50/52/52/1435505252.db2.gz HSPRZIAYOHLNHN-BWACUDIHSA-N 0 0 383.370 3.377 20 30 GGEDRN COc1ccc(NC(=O)[C@H](Sc2nc(N)c(C#N)cc2C#N)C(C)C)cc1 ZINC000279490026 1435505261 /nfs/dbraw/zinc/50/52/61/1435505261.db2.gz PEXIPANGWVTFDQ-MRXNPFEDSA-N 0 0 381.461 3.171 20 30 GGEDRN COc1ccc(NC(=O)[C@@H](Sc2nc(N)c(C#N)cc2C#N)C(C)C)cc1 ZINC000279490022 1435505337 /nfs/dbraw/zinc/50/53/37/1435505337.db2.gz PEXIPANGWVTFDQ-INIZCTEOSA-N 0 0 381.461 3.171 20 30 GGEDRN C[C@@H]1OCC[C@]12CN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C[C@@H](C)O2 ZINC000279490690 1435505400 /nfs/dbraw/zinc/50/54/00/1435505400.db2.gz HSPRZIAYOHLNHN-PEBVRCNWSA-N 0 0 383.370 3.377 20 30 GGEDRN C[C@H](O)CCCNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000279498287 1435506269 /nfs/dbraw/zinc/50/62/69/1435506269.db2.gz VTDFKVOMIAMVIE-KSSFIOAISA-N 0 0 399.878 3.211 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 ZINC000279516916 1435508751 /nfs/dbraw/zinc/50/87/51/1435508751.db2.gz HVJQBKYCJOKJRK-UHFFFAOYSA-N 0 0 393.487 3.240 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000279562870 1435513448 /nfs/dbraw/zinc/51/34/48/1435513448.db2.gz KOLWCPZMONAHCG-NRFANRHFSA-N 0 0 394.471 3.398 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)NCCc2coc(-c3ccc(C)cc3)n2)n1 ZINC000279565512 1435513553 /nfs/dbraw/zinc/51/35/53/1435513553.db2.gz SMMXKIKZHRLCGG-UHFFFAOYSA-N 0 0 391.475 3.254 20 30 GGEDRN C[C@@H]1OCC[C@]1(O)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000279564598 1435513562 /nfs/dbraw/zinc/51/35/62/1435513562.db2.gz SHCFNIVRQKNAPZ-BTYIYWSLSA-N 0 0 382.485 3.120 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)OC ZINC000279576541 1435514986 /nfs/dbraw/zinc/51/49/86/1435514986.db2.gz VLWLQIHITILPLW-UHFFFAOYSA-N 0 0 382.460 3.460 20 30 GGEDRN CCn1nccc1C1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000279584254 1435515814 /nfs/dbraw/zinc/51/58/14/1435515814.db2.gz UOZSKDPUDYLUDN-UHFFFAOYSA-N 0 0 393.491 3.290 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000279592749 1435516879 /nfs/dbraw/zinc/51/68/79/1435516879.db2.gz ARGYWABTRABKHN-BJLQDIEVSA-N 0 0 387.549 3.317 20 30 GGEDRN COCC1(C(=O)Nc2cc(C#N)ccc2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000279596324 1435517141 /nfs/dbraw/zinc/51/71/41/1435517141.db2.gz DCQIGHYENVUTQU-UHFFFAOYSA-N 0 0 387.480 3.469 20 30 GGEDRN CCS(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2O[C@@H](C)C#N)s1 ZINC000279595101 1435517148 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GGEDRN CC(C)(C)OC(=O)NCC1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279652511 1435524022 /nfs/dbraw/zinc/52/40/22/1435524022.db2.gz XQLKMFDBGHQLTG-IBGZPJMESA-N 0 0 396.491 3.004 20 30 GGEDRN CCOc1cc2c(cc1CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)O[C@H](C)C2 ZINC000279672372 1435527249 /nfs/dbraw/zinc/52/72/49/1435527249.db2.gz FNTQAYANCAWVFH-BEFAXECRSA-N 0 0 389.455 3.279 20 30 GGEDRN CC(C)(C#N)c1ccc(C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)cc1 ZINC000279675405 1435527737 /nfs/dbraw/zinc/52/77/37/1435527737.db2.gz IGRYQADDXXXTSW-UHFFFAOYSA-N 0 0 386.473 3.163 20 30 GGEDRN C[C@@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000279677002 1435528344 /nfs/dbraw/zinc/52/83/44/1435528344.db2.gz GGBPYHAZCZMAIR-QRWLVFNGSA-N 0 0 386.455 3.466 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2cccc(N3CCC3=O)c2)cc1 ZINC000279694371 1435530773 /nfs/dbraw/zinc/53/07/73/1435530773.db2.gz GJKQYRJFDIAEMQ-QGZVFWFLSA-N 0 0 376.460 3.479 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000279693715 1435530894 /nfs/dbraw/zinc/53/08/94/1435530894.db2.gz VHBHUZZBNMNHFP-RDJZCZTQSA-N 0 0 381.407 3.097 20 30 GGEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000279697972 1435531258 /nfs/dbraw/zinc/53/12/58/1435531258.db2.gz JACLVSDCUZKZCJ-VQTJNVASSA-N 0 0 376.460 3.177 20 30 GGEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000279712144 1435533496 /nfs/dbraw/zinc/53/34/96/1435533496.db2.gz LELYKNIAPXVRIE-ZDUSSCGKSA-N 0 0 378.316 3.057 20 30 GGEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000279712142 1435533597 /nfs/dbraw/zinc/53/35/97/1435533597.db2.gz LELYKNIAPXVRIE-CYBMUJFWSA-N 0 0 378.316 3.057 20 30 GGEDRN CCC[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H](O)c1ccccc1 ZINC000279718673 1435534795 /nfs/dbraw/zinc/53/47/95/1435534795.db2.gz XMURUQIYCBUVSS-UXHICEINSA-N 0 0 393.487 3.445 20 30 GGEDRN CCN(Cc1ccc(OC)cc1OC)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000279724052 1435535428 /nfs/dbraw/zinc/53/54/28/1435535428.db2.gz 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OAWCYERWCUPJGJ-LJQANCHMSA-N 0 0 396.447 3.145 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C1=O ZINC000281981229 1435829593 /nfs/dbraw/zinc/82/95/93/1435829593.db2.gz OTNLZFQKFKMMQH-OAHLLOKOSA-N 0 0 381.423 3.393 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C ZINC000281985931 1435829731 /nfs/dbraw/zinc/82/97/31/1435829731.db2.gz PEZLHQQWPGIIIV-FQEVSTJZSA-N 0 0 397.475 3.460 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2cc(-c3ccnn3C)ccc2C)n1 ZINC000281987625 1435829819 /nfs/dbraw/zinc/82/98/19/1435829819.db2.gz PGUDTSRPGFWIHQ-UHFFFAOYSA-N 0 0 376.464 3.279 20 30 GGEDRN COC(=O)c1cc(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)c(C)cc1C ZINC000281992078 1435830104 /nfs/dbraw/zinc/83/01/04/1435830104.db2.gz VQMQXRMWRKPJKP-UHFFFAOYSA-N 0 0 396.447 3.113 20 30 GGEDRN CCSCC[C@@H](C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000282013890 1435830914 /nfs/dbraw/zinc/83/09/14/1435830914.db2.gz OCAIPRCWIYULQF-SNVBAGLBSA-N 0 0 389.399 3.043 20 30 GGEDRN Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(C(C)(C)C#N)cc3)C2=O)cc1 ZINC000282037754 1435832060 /nfs/dbraw/zinc/83/20/60/1435832060.db2.gz YILBRGURPJUOJY-HXUWFJFHSA-N 0 0 375.472 3.327 20 30 GGEDRN CSc1ccc([C@H](C)NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 ZINC000282042578 1435832346 /nfs/dbraw/zinc/83/23/46/1435832346.db2.gz AJVPALSJBBVYQO-CABCVRRESA-N 0 0 396.520 3.051 20 30 GGEDRN CO[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)[C@@H](C)C1 ZINC000282048955 1435832583 /nfs/dbraw/zinc/83/25/83/1435832583.db2.gz AYYBNYJNACAWNN-YOEHRIQHSA-N 0 0 384.480 3.056 20 30 GGEDRN Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)N2CCC(C#N)CC2)c1 ZINC000282056439 1435832874 /nfs/dbraw/zinc/83/28/74/1435832874.db2.gz QBOQEVDOHYAABW-UHFFFAOYSA-N 0 0 377.444 3.275 20 30 GGEDRN N#Cc1cccc(-n2ccc(C(=O)O[C@@H]([C@H]3CCCOC3)C(F)(F)F)n2)c1 ZINC000282110877 1435835062 /nfs/dbraw/zinc/83/50/62/1435835062.db2.gz DWNWMFMXZLHVNU-BBRMVZONSA-N 0 0 379.338 3.258 20 30 GGEDRN C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CC(N)=O)CC1 ZINC000282124041 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0 380.448 3.262 20 30 GGEDRN C=CCn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@H](C(=O)OC)[C@@H](C)C1 ZINC000282133867 1435835992 /nfs/dbraw/zinc/83/59/92/1435835992.db2.gz AXAFZNBMAVIHFD-GJZGRUSLSA-N 0 0 379.464 3.248 20 30 GGEDRN C=CCn1c(-c2ccc(C)s2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000282149698 1435836417 /nfs/dbraw/zinc/83/64/17/1435836417.db2.gz BZNMACXOTWGBBD-MRXNPFEDSA-N 0 0 384.509 3.295 20 30 GGEDRN C=CCn1c(-c2cccnc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 ZINC000282157473 1435836807 /nfs/dbraw/zinc/83/68/07/1435836807.db2.gz COXYBAQRIYSVFC-UHFFFAOYSA-N 0 0 376.464 3.277 20 30 GGEDRN CO[C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@H](C)C1 ZINC000282163983 1435836940 /nfs/dbraw/zinc/83/69/40/1435836940.db2.gz WSVMZXLIMGNQPB-QRWLVFNGSA-N 0 0 393.443 3.315 20 30 GGEDRN C=CCn1c(N2CCC(C(=O)Nc3ccc(O)cc3)CC2)nnc1C(C)(C)C ZINC000282170229 1435837167 /nfs/dbraw/zinc/83/71/67/1435837167.db2.gz DOQIDOKRNOPEET-UHFFFAOYSA-N 0 0 383.496 3.322 20 30 GGEDRN COc1cc(CNc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)ccc1C#N 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382.512 3.047 20 30 GGEDRN C=CCn1c([C@H](C)OCCOC)nnc1N(C)CCCOCc1ccccc1 ZINC000282186964 1435837751 /nfs/dbraw/zinc/83/77/51/1435837751.db2.gz FZHGGJFVSAAVDD-SFHVURJKSA-N 0 0 388.512 3.231 20 30 GGEDRN C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC000282189043 1435837848 /nfs/dbraw/zinc/83/78/48/1435837848.db2.gz GCQMQRAOYUFPAE-LJQANCHMSA-N 0 0 399.539 3.132 20 30 GGEDRN CSc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000282194254 1435837992 /nfs/dbraw/zinc/83/79/92/1435837992.db2.gz RRQXQHCZOLGKBR-GFCCVEGCSA-N 0 0 385.493 3.048 20 30 GGEDRN C=CCn1c(CCCc2ccccc2)nnc1N1CC[C@@H](COCCOC)C1 ZINC000282202176 1435838174 /nfs/dbraw/zinc/83/81/74/1435838174.db2.gz HELMIXPVDCLFMD-HXUWFJFHSA-N 0 0 384.524 3.129 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C(=O)OC)CC1 ZINC000282205827 1435838257 /nfs/dbraw/zinc/83/82/57/1435838257.db2.gz HKOUJOSNIYXOGX-UHFFFAOYSA-N 0 0 390.871 3.183 20 30 GGEDRN C=CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC000282205781 1435838328 /nfs/dbraw/zinc/83/83/28/1435838328.db2.gz HJVBSISFDGKMKU-UHFFFAOYSA-N 0 0 397.523 3.046 20 30 GGEDRN C#C[C@H](NC(=O)CCc1nc(-c2cc(Cl)c(OC)c(OC)c2)no1)C(C)C ZINC000282212587 1435838688 /nfs/dbraw/zinc/83/86/88/1435838688.db2.gz UDXFWHQPJMXWIW-AWEZNQCLSA-N 0 0 391.855 3.114 20 30 GGEDRN C#C[C@@H](NC(=O)CCc1nc(-c2cc(Cl)c(OC)c(OC)c2)no1)C(C)C ZINC000282212589 1435838713 /nfs/dbraw/zinc/83/87/13/1435838713.db2.gz UDXFWHQPJMXWIW-CQSZACIVSA-N 0 0 391.855 3.114 20 30 GGEDRN C=CCn1c(CC(C)C)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000282218720 1435838915 /nfs/dbraw/zinc/83/89/15/1435838915.db2.gz IMNRSCCMLQGMLT-UHFFFAOYSA-N 0 0 381.524 3.370 20 30 GGEDRN C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)NCCCC)CC1 ZINC000282222980 1435838979 /nfs/dbraw/zinc/83/89/79/1435838979.db2.gz IUFUGDJYZZJNHP-UHFFFAOYSA-N 0 0 399.514 3.327 20 30 GGEDRN C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000282222931 1435838997 /nfs/dbraw/zinc/83/89/97/1435838997.db2.gz ITOCQOQZCNMEOW-LJQANCHMSA-N 0 0 397.523 3.389 20 30 GGEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C(=O)OC)CC1 ZINC000282222865 1435839045 /nfs/dbraw/zinc/83/90/45/1435839045.db2.gz ISQHWKAVRFTNQO-UHFFFAOYSA-N 0 0 390.871 3.086 20 30 GGEDRN C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000282225337 1435839165 /nfs/dbraw/zinc/83/91/65/1435839165.db2.gz BGSQHMJMGBCMFO-KDOFPFPSSA-N 0 0 392.912 3.087 20 30 GGEDRN C=CCn1c(-c2ccccn2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 ZINC000282232948 1435839396 /nfs/dbraw/zinc/83/93/96/1435839396.db2.gz JONWMHRJJKUMRV-IRXDYDNUSA-N 0 0 382.512 3.047 20 30 GGEDRN C=CCn1c(C2CC2)nnc1N1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000282232771 1435839423 /nfs/dbraw/zinc/83/94/23/1435839423.db2.gz JLQMZVYSEIDVFO-UHFFFAOYSA-N 0 0 379.508 3.013 20 30 GGEDRN C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](CC)C1 ZINC000282234982 1435839480 /nfs/dbraw/zinc/83/94/80/1435839480.db2.gz JQTHMALRHOHVGI-KRWDZBQOSA-N 0 0 381.528 3.265 20 30 GGEDRN N#Cc1cc(S(=O)(=O)N2CCC([C@@H]3CCCO3)CC2)ccc1C(F)(F)F ZINC000282234720 1435839512 /nfs/dbraw/zinc/83/95/12/1435839512.db2.gz IBJWCEMKEOCDIR-INIZCTEOSA-N 0 0 388.411 3.157 20 30 GGEDRN C=CCn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000282235055 1435839520 /nfs/dbraw/zinc/83/95/20/1435839520.db2.gz JSDFEJDLUDVLFE-UHFFFAOYSA-N 0 0 386.500 3.200 20 30 GGEDRN C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCCOC)CC1 ZINC000282234826 1435839530 /nfs/dbraw/zinc/83/95/30/1435839530.db2.gz JPCMWZGHUGHNCI-UHFFFAOYSA-N 0 0 381.480 3.025 20 30 GGEDRN C=CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](c2ccccc2OC)C1 ZINC000282236881 1435839612 /nfs/dbraw/zinc/83/96/12/1435839612.db2.gz JUFRRJLQXZTYRY-QGZVFWFLSA-N 0 0 375.476 3.452 20 30 GGEDRN C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCCCC1 ZINC000282236811 1435839635 /nfs/dbraw/zinc/83/96/35/1435839635.db2.gz JTOVVDMQXCYDBC-UHFFFAOYSA-N 0 0 378.480 3.412 20 30 GGEDRN C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(c2ccccc2)C1 ZINC000282245490 1435839983 /nfs/dbraw/zinc/83/99/83/1435839983.db2.gz KIZJSWOQRAGDOK-QFIPXVFZSA-N 0 0 379.508 3.258 20 30 GGEDRN C=CCn1c(-c2cnn(C)c2)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000282247788 1435840002 /nfs/dbraw/zinc/84/00/02/1435840002.db2.gz KPFFAXUXEJKXRA-UHFFFAOYSA-N 0 0 388.479 3.125 20 30 GGEDRN COc1ccc(CN[C@@]2(CO)CCOc3ccccc32)cc1OCCCC#N ZINC000282249089 1435840058 /nfs/dbraw/zinc/84/00/58/1435840058.db2.gz GLXPWLRHVARFPR-JOCHJYFZSA-N 0 0 382.460 3.138 20 30 GGEDRN C#C[C@H](NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])C(C)C ZINC000282253499 1435840185 /nfs/dbraw/zinc/84/01/85/1435840185.db2.gz VWXWJBMKWHAHBN-AWEZNQCLSA-N 0 0 389.433 3.027 20 30 GGEDRN CC(C)(C)n1ncnc1CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000282256356 1435840305 /nfs/dbraw/zinc/84/03/05/1435840305.db2.gz OTZGIXOGCMKWIG-UHFFFAOYSA-N 0 0 382.346 3.125 20 30 GGEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCC(F)(F)C2)c1 ZINC000282259068 1435840482 /nfs/dbraw/zinc/84/04/82/1435840482.db2.gz ULDZRORWAUBBID-UAHGDZPKSA-N 0 0 399.463 3.263 20 30 GGEDRN C=CCn1c(COCc2ccccc2)nnc1N1CCC(c2nc(C)no2)CC1 ZINC000282263567 1435840704 /nfs/dbraw/zinc/84/07/04/1435840704.db2.gz LSCFLFMOJGSYCI-UHFFFAOYSA-N 0 0 394.479 3.256 20 30 GGEDRN C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(N2CCCC2=O)CC1 ZINC000282265708 1435840860 /nfs/dbraw/zinc/84/08/60/1435840860.db2.gz LUXFXBHUHMGHDF-UHFFFAOYSA-N 0 0 385.899 3.376 20 30 GGEDRN C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CCc1cnccn1 ZINC000282278065 1435841296 /nfs/dbraw/zinc/84/12/96/1435841296.db2.gz MRQMIDVDFKFHKE-OAHLLOKOSA-N 0 0 382.443 3.212 20 30 GGEDRN C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC000282276367 1435841306 /nfs/dbraw/zinc/84/13/06/1435841306.db2.gz MPGLHGAGAPFJCK-UHFFFAOYSA-N 0 0 397.498 3.175 20 30 GGEDRN N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NC[C@@H]2CCCC(F)(F)C2)c1 ZINC000282280105 1435841454 /nfs/dbraw/zinc/84/14/54/1435841454.db2.gz YWXXHLDUKFKBRF-LLVKDONJSA-N 0 0 387.333 3.040 20 30 GGEDRN C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](C(N)=O)C1 ZINC000282282106 1435841591 /nfs/dbraw/zinc/84/15/91/1435841591.db2.gz NAFNNVBLAUPJTM-LLVKDONJSA-N 0 0 387.896 3.311 20 30 GGEDRN C=CCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000282286360 1435841647 /nfs/dbraw/zinc/84/16/47/1435841647.db2.gz NMSIQLBKRAWROH-NPPFBWRTSA-N 0 0 398.507 3.124 20 30 GGEDRN C=CCn1c(-c2ccc[nH]2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 ZINC000282284246 1435841662 /nfs/dbraw/zinc/84/16/62/1435841662.db2.gz NFFXRTHJXPHDCJ-UHFFFAOYSA-N 0 0 377.492 3.281 20 30 GGEDRN C=CCn1c(COc2ccccc2OCC)nnc1N1CC[C@@H](COCC)C1 ZINC000282297308 1435842120 /nfs/dbraw/zinc/84/21/20/1435842120.db2.gz OHKUKUUQFQKJNZ-QGZVFWFLSA-N 0 0 386.496 3.305 20 30 GGEDRN C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2ccccc2C)CC1 ZINC000282301000 1435842197 /nfs/dbraw/zinc/84/21/97/1435842197.db2.gz ORGJYRSYXMCIAM-UHFFFAOYSA-N 0 0 379.508 3.393 20 30 GGEDRN C=CCn1c(-c2ccc(C)s2)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC000282302851 1435842295 /nfs/dbraw/zinc/84/22/95/1435842295.db2.gz OWPFSNJLQGFKFQ-UHFFFAOYSA-N 0 0 385.537 3.482 20 30 GGEDRN C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC000282302674 1435842352 /nfs/dbraw/zinc/84/23/52/1435842352.db2.gz OUUAKYALDCAXHF-HXUWFJFHSA-N 0 0 398.507 3.447 20 30 GGEDRN C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C(=O)OC)CC1 ZINC000282302823 1435842379 /nfs/dbraw/zinc/84/23/79/1435842379.db2.gz OWGBGJBMGIAPQN-UHFFFAOYSA-N 0 0 384.480 3.049 20 30 GGEDRN C=CCn1c(-c2ccccn2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000282310584 1435842585 /nfs/dbraw/zinc/84/25/85/1435842585.db2.gz PJVCNPROGLNERL-UHFFFAOYSA-N 0 0 388.475 3.381 20 30 GGEDRN C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC000282309055 1435842615 /nfs/dbraw/zinc/84/26/15/1435842615.db2.gz PHEDKISRBMUECE-HXUWFJFHSA-N 0 0 389.503 3.171 20 30 GGEDRN C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@]2(CCOC2)C1 ZINC000282316763 1435842811 /nfs/dbraw/zinc/84/28/11/1435842811.db2.gz PWYCNEIGJGBPNN-XMSQKQJNSA-N 0 0 398.507 3.217 20 30 GGEDRN C=CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000282316603 1435842836 /nfs/dbraw/zinc/84/28/36/1435842836.db2.gz PWDXYLYZNYWDGN-OAHLLOKOSA-N 0 0 384.484 3.020 20 30 GGEDRN C[C@H](NC(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000282321098 1435842969 /nfs/dbraw/zinc/84/29/69/1435842969.db2.gz FDTQJHOHTAAFLQ-HNAYVOBHSA-N 0 0 377.448 3.225 20 30 GGEDRN C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC000282325694 1435843046 /nfs/dbraw/zinc/84/30/46/1435843046.db2.gz QNVJRFWAHSBHEO-YJBOKZPZSA-N 0 0 391.475 3.069 20 30 GGEDRN C=CCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000282327644 1435843203 /nfs/dbraw/zinc/84/32/03/1435843203.db2.gz QRBFNUAGBIOJKW-AOMKIAJQSA-N 0 0 391.475 3.064 20 30 GGEDRN C=CCn1c(-c2cccnc2)nnc1N(C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000282335904 1435843542 /nfs/dbraw/zinc/84/35/42/1435843542.db2.gz REJLTFDSRCDLCS-OAHLLOKOSA-N 0 0 397.483 3.279 20 30 GGEDRN C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC2(CCCC2)C1 ZINC000282336425 1435843601 /nfs/dbraw/zinc/84/36/01/1435843601.db2.gz RHRNGBHIGJSIIC-UHFFFAOYSA-N 0 0 384.480 3.298 20 30 GGEDRN C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCOC2(CCOCC2)C1 ZINC000282340104 1435843675 /nfs/dbraw/zinc/84/36/75/1435843675.db2.gz RNLHNWWGWGIXAM-UHFFFAOYSA-N 0 0 398.507 3.046 20 30 GGEDRN C=CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC000282345613 1435843941 /nfs/dbraw/zinc/84/39/41/1435843941.db2.gz RWTHAXOZRFWHHY-UHFFFAOYSA-N 0 0 394.523 3.145 20 30 GGEDRN CC(=O)NCCN(Cc1ccsc1)C(=O)CCCCOc1cccc(C#N)c1 ZINC000282357322 1435844280 /nfs/dbraw/zinc/84/42/80/1435844280.db2.gz HNHXLCWQZZKWNZ-UHFFFAOYSA-N 0 0 399.516 3.334 20 30 GGEDRN C=CCn1c(-c2ccccn2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 ZINC000282358217 1435844408 /nfs/dbraw/zinc/84/44/08/1435844408.db2.gz STJCDNNKVXDBAC-UHFFFAOYSA-N 0 0 389.503 3.348 20 30 GGEDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1[N+](=O)[O-] ZINC000282365015 1435844524 /nfs/dbraw/zinc/84/45/24/1435844524.db2.gz ZDFJJIBFQPESQF-UHFFFAOYSA-N 0 0 383.286 3.464 20 30 GGEDRN C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@H](C(C)C)C1 ZINC000282366926 1435844609 /nfs/dbraw/zinc/84/46/09/1435844609.db2.gz UEPMFKONXPZQCE-HNNXBMFYSA-N 0 0 391.566 3.033 20 30 GGEDRN C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC000282366703 1435844672 /nfs/dbraw/zinc/84/46/72/1435844672.db2.gz UDBNESFNDQBQHQ-LJQANCHMSA-N 0 0 381.480 3.166 20 30 GGEDRN C=CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000282369025 1435844747 /nfs/dbraw/zinc/84/47/47/1435844747.db2.gz UIMZGNCERVEZPO-FXAWDEMLSA-N 0 0 375.476 3.416 20 30 GGEDRN C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC000282377935 1435844998 /nfs/dbraw/zinc/84/49/98/1435844998.db2.gz UWCNZNRBIGGUAY-FQEVSTJZSA-N 0 0 391.523 3.407 20 30 GGEDRN CC(C)(C)c1cnc(CCC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000282385096 1435845317 /nfs/dbraw/zinc/84/53/17/1435845317.db2.gz XACZHUICVGUVIF-QGZVFWFLSA-N 0 0 394.475 3.088 20 30 GGEDRN C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CCCC(=O)NC ZINC000282386808 1435845432 /nfs/dbraw/zinc/84/54/32/1435845432.db2.gz VMKRQTTYHDOZJX-CQSZACIVSA-N 0 0 391.903 3.220 20 30 GGEDRN C=CCn1c(-c2ccc(C)s2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000282391372 1435845527 /nfs/dbraw/zinc/84/55/27/1435845527.db2.gz VVVOPMRRTZTQQJ-INIZCTEOSA-N 0 0 387.553 3.490 20 30 GGEDRN C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)CCC(=O)NC ZINC000282395600 1435845669 /nfs/dbraw/zinc/84/56/69/1435845669.db2.gz WDRUUSLGOORVDW-UHFFFAOYSA-N 0 0 396.520 3.135 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000282395207 1435845700 /nfs/dbraw/zinc/84/57/00/1435845700.db2.gz RTDLXGXOWBFJHQ-UHFFFAOYSA-N 0 0 396.382 3.145 20 30 GGEDRN C=CCn1c(C2CC2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000282395568 1435845713 /nfs/dbraw/zinc/84/57/13/1435845713.db2.gz WDIXXDWYFDGHNI-UHFFFAOYSA-N 0 0 384.459 3.271 20 30 GGEDRN C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC000282397499 1435845802 /nfs/dbraw/zinc/84/58/02/1435845802.db2.gz WILKLGSGIYKUSM-UHFFFAOYSA-N 0 0 379.386 3.182 20 30 GGEDRN C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000282397293 1435845831 /nfs/dbraw/zinc/84/58/31/1435845831.db2.gz WHFRRRLSGHLCLM-QGZVFWFLSA-N 0 0 394.479 3.106 20 30 GGEDRN C=CCn1c(CCCc2ccccc2)nnc1N1CCC(N2CCCC2=O)CC1 ZINC000282401853 1435845960 /nfs/dbraw/zinc/84/59/60/1435845960.db2.gz WPFRZKUSJACRPR-UHFFFAOYSA-N 0 0 393.535 3.231 20 30 GGEDRN C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CSc2ccccc2)C1 ZINC000282406292 1435846007 /nfs/dbraw/zinc/84/60/07/1435846007.db2.gz WZQPYHMVPRJPKC-KRWDZBQOSA-N 0 0 397.548 3.319 20 30 GGEDRN C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@](C)(C(=O)OC)C1 ZINC000282404105 1435846010 /nfs/dbraw/zinc/84/60/10/1435846010.db2.gz WTUXABRNFMSMDU-VLIAUNLRSA-N 0 0 388.443 3.133 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccncc1OCC(F)(F)F ZINC000282403839 1435846027 /nfs/dbraw/zinc/84/60/27/1435846027.db2.gz YRDQRDOFBPAKPO-UHFFFAOYSA-N 0 0 378.354 3.236 20 30 GGEDRN C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC(CC(=O)NC)CC1 ZINC000282415658 1435846417 /nfs/dbraw/zinc/84/64/17/1435846417.db2.gz XOMBQUUPWTZJLK-UHFFFAOYSA-N 0 0 397.523 3.012 20 30 GGEDRN N#Cc1cccc(C2(NC(=O)NCc3ccncc3OCC(F)(F)F)CC2)c1 ZINC000282420626 1435846567 /nfs/dbraw/zinc/84/65/67/1435846567.db2.gz ZRCBBVMHWBSEKT-UHFFFAOYSA-N 0 0 390.365 3.383 20 30 GGEDRN O=C(NCCCC(F)(F)F)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000282422990 1435846670 /nfs/dbraw/zinc/84/66/70/1435846670.db2.gz IROKSSWUTSJZKN-UHFFFAOYSA-N 0 0 390.255 3.164 20 30 GGEDRN C=CCn1c(-c2c[nH]c3ccccc32)nnc1N(C)Cc1ncnn1CC(F)F ZINC000282428041 1435846804 /nfs/dbraw/zinc/84/68/04/1435846804.db2.gz YLKLGDJRQMETHQ-UHFFFAOYSA-N 0 0 398.421 3.105 20 30 GGEDRN C=CCn1c(-c2ccc(C)s2)nnc1N1CCC(Nc2cccnn2)CC1 ZINC000282430054 1435846915 /nfs/dbraw/zinc/84/69/15/1435846915.db2.gz YMTQNPGUXQOIQQ-UHFFFAOYSA-N 0 0 381.509 3.372 20 30 GGEDRN C=CCn1c(COc2ccccc2OC)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC000282439159 1435847179 /nfs/dbraw/zinc/84/71/79/1435847179.db2.gz ZGRBIPQTYLTHKB-GOSISDBHSA-N 0 0 398.507 3.447 20 30 GGEDRN C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC000282447215 1435847486 /nfs/dbraw/zinc/84/74/86/1435847486.db2.gz ZXMUCBQWUVREJA-CALCHBBNSA-N 0 0 381.528 3.120 20 30 GGEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)CC3CC(c4ccccc4)C3)C2=O)cc1 ZINC000282447604 1435847581 /nfs/dbraw/zinc/84/75/81/1435847581.db2.gz SPSUOMDASVJQPQ-VTLFHKLASA-N 0 0 387.483 3.359 20 30 GGEDRN C=CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 ZINC000282447851 1435847613 /nfs/dbraw/zinc/84/76/13/1435847613.db2.gz ABXSLULIOXNLFG-NRFANRHFSA-N 0 0 389.503 3.288 20 30 GGEDRN CCN(CCOCCO)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000282451422 1435847768 /nfs/dbraw/zinc/84/77/68/1435847768.db2.gz KEXPSRPXZOPIRG-UHFFFAOYSA-N 0 0 397.475 3.194 20 30 GGEDRN C[C@@H](c1ccsc1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 ZINC000282482773 1435848775 /nfs/dbraw/zinc/84/87/75/1435848775.db2.gz NJMVJHVFWKTWDI-HNNXBMFYSA-N 0 0 378.505 3.298 20 30 GGEDRN Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](COc2ccccc2)C1 ZINC000282490573 1435849085 /nfs/dbraw/zinc/84/90/85/1435849085.db2.gz NZDWUJDICREWPV-SFHVURJKSA-N 0 0 389.459 3.171 20 30 GGEDRN C=CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000282502489 1435849426 /nfs/dbraw/zinc/84/94/26/1435849426.db2.gz DWWKNNRASCPXRS-UHFFFAOYSA-N 0 0 388.475 3.381 20 30 GGEDRN C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC000282506376 1435849492 /nfs/dbraw/zinc/84/94/92/1435849492.db2.gz FGFQWXRGAWQDRZ-IRXDYDNUSA-N 0 0 381.528 3.120 20 30 GGEDRN C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC000282513497 1435849746 /nfs/dbraw/zinc/84/97/46/1435849746.db2.gz FXNHPUUSNBRXHD-UHFFFAOYSA-N 0 0 396.413 3.245 20 30 GGEDRN C=CCn1c(-c2cccnc2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000282514898 1435849751 /nfs/dbraw/zinc/84/97/51/1435849751.db2.gz GBIOWFOMCOTVGS-IBGZPJMESA-N 0 0 383.496 3.081 20 30 GGEDRN C=CCn1c([C@H](C)OCCOC)nnc1N(C)Cc1cc(Cl)ccc1OC ZINC000282529440 1435850255 /nfs/dbraw/zinc/85/02/55/1435850255.db2.gz HCTFIZISALLGJQ-AWEZNQCLSA-N 0 0 394.903 3.487 20 30 GGEDRN CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1SCC#N ZINC000282540645 1435850833 /nfs/dbraw/zinc/85/08/33/1435850833.db2.gz WAHYCXWRIRKMEY-UHFFFAOYSA-N 0 0 384.461 3.323 20 30 GGEDRN C=CCOCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccncc1 ZINC000282545756 1435851031 /nfs/dbraw/zinc/85/10/31/1435851031.db2.gz CMTSCMKSXDVBNU-SFHVURJKSA-N 0 0 389.496 3.185 20 30 GGEDRN C=CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC000282554401 1435851372 /nfs/dbraw/zinc/85/13/72/1435851372.db2.gz JDYKPSQTYIHVSV-UHFFFAOYSA-N 0 0 397.523 3.046 20 30 GGEDRN C=CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](COCCOC)C1 ZINC000282564510 1435851859 /nfs/dbraw/zinc/85/18/59/1435851859.db2.gz JYKLKCKJLJFTRK-INIZCTEOSA-N 0 0 382.464 3.367 20 30 GGEDRN C=CCn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000282566505 1435851878 /nfs/dbraw/zinc/85/18/78/1435851878.db2.gz KFGRXAMFVZZYNW-DNVCBOLYSA-N 0 0 384.480 3.055 20 30 GGEDRN CC(C)C(=O)NC1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000282571926 1435852014 /nfs/dbraw/zinc/85/20/14/1435852014.db2.gz BDPXVIKPEIZMPX-UHFFFAOYSA-N 0 0 398.385 3.225 20 30 GGEDRN C=CCn1c(-c2cccnc2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000282582702 1435852557 /nfs/dbraw/zinc/85/25/57/1435852557.db2.gz LJVJFRHGBQZHSF-UHFFFAOYSA-N 0 0 397.429 3.292 20 30 GGEDRN C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Oc2ccccc2)CC1 ZINC000282589473 1435852707 /nfs/dbraw/zinc/85/27/07/1435852707.db2.gz LUPUCZHCTKHCFG-UHFFFAOYSA-N 0 0 392.507 3.374 20 30 GGEDRN COc1cc(/C=C/C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)ccc1OCC#N ZINC000282590491 1435852724 /nfs/dbraw/zinc/85/27/24/1435852724.db2.gz PZYLFJJYKHLWAG-ZFYPLVIYSA-N 0 0 396.418 3.084 20 30 GGEDRN C=CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000282589660 1435852746 /nfs/dbraw/zinc/85/27/46/1435852746.db2.gz LVCSZWGVNHDRMI-QGZVFWFLSA-N 0 0 384.871 3.096 20 30 GGEDRN C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCc1nccs1 ZINC000282596433 1435853094 /nfs/dbraw/zinc/85/30/94/1435853094.db2.gz MKGUSDOISMQAMK-INIZCTEOSA-N 0 0 383.477 3.112 20 30 GGEDRN N#CCc1ccc(NC(=O)NC[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)cc1 ZINC000282604412 1435853469 /nfs/dbraw/zinc/85/34/69/1435853469.db2.gz ZLRPJYGAPJTXIX-GOSISDBHSA-N 0 0 376.416 3.002 20 30 GGEDRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(C#N)c2)[C@H](c2ccncc2)C1 ZINC000282614096 1435853669 /nfs/dbraw/zinc/85/36/69/1435853669.db2.gz IMRXGIIPFUQAAP-IBGZPJMESA-N 0 0 392.459 3.387 20 30 GGEDRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(C#N)c2)[C@@H](c2ccncc2)C1 ZINC000282614098 1435853696 /nfs/dbraw/zinc/85/36/96/1435853696.db2.gz IMRXGIIPFUQAAP-LJQANCHMSA-N 0 0 392.459 3.387 20 30 GGEDRN C[S@](=O)C1(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000282618715 1435853852 /nfs/dbraw/zinc/85/38/52/1435853852.db2.gz HEAVYLNVLCPGGJ-NDEPHWFRSA-N 0 0 397.500 3.364 20 30 GGEDRN C=CCCO[C@H](C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccncc1 ZINC000282636438 1435854606 /nfs/dbraw/zinc/85/46/06/1435854606.db2.gz KDICPBKIQINCFL-AEFFLSMTSA-N 0 0 389.496 3.183 20 30 GGEDRN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ncccc1OCCCC#N ZINC000282640422 1435854842 /nfs/dbraw/zinc/85/48/42/1435854842.db2.gz LAMJVPZDMLBPPJ-SJORKVTESA-N 0 0 392.463 3.350 20 30 GGEDRN CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000282658740 1435855381 /nfs/dbraw/zinc/85/53/81/1435855381.db2.gz BIWYWUWUPSYWST-UHFFFAOYSA-N 0 0 381.480 3.395 20 30 GGEDRN CC(C)(C)[C@H](NC(N)=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000282658522 1435855395 /nfs/dbraw/zinc/85/53/95/1435855395.db2.gz LQQLALICBFOMLK-GOSISDBHSA-N 0 0 380.448 3.159 20 30 GGEDRN C=CCn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC000282659172 1435855427 /nfs/dbraw/zinc/85/54/27/1435855427.db2.gz RAOCMZBRKNSBQD-UHFFFAOYSA-N 0 0 394.397 3.488 20 30 GGEDRN CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](C#N)C1 ZINC000282662143 1435855542 /nfs/dbraw/zinc/85/55/42/1435855542.db2.gz BQBFAOHVBJAIPE-HNNXBMFYSA-N 0 0 380.477 3.126 20 30 GGEDRN C=CCn1c(-c2cccnc2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000282664867 1435855621 /nfs/dbraw/zinc/85/56/21/1435855621.db2.gz RMIHRMWSKSCTKL-SFHVURJKSA-N 0 0 388.475 3.015 20 30 GGEDRN C=CCn1c(-c2ccc(C)s2)nnc1N1CCn2c(nnc2C(F)(F)F)C1 ZINC000282667334 1435855688 /nfs/dbraw/zinc/85/56/88/1435855688.db2.gz RSMIBXZLZDSTHT-UHFFFAOYSA-N 0 0 395.414 3.132 20 30 GGEDRN C=CCn1c(-c2ccccc2OC)nnc1N1CCC(c2nc(C)no2)CC1 ZINC000282669226 1435855868 /nfs/dbraw/zinc/85/58/68/1435855868.db2.gz RTBRPPLEWLXMCH-UHFFFAOYSA-N 0 0 380.452 3.215 20 30 GGEDRN C=CCn1c(CC2CC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000282684211 1435856322 /nfs/dbraw/zinc/85/63/22/1435856322.db2.gz SWZRHHSFBQAABO-UHFFFAOYSA-N 0 0 380.496 3.207 20 30 GGEDRN C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@H](C(=O)OCC)C1 ZINC000282705587 1435857183 /nfs/dbraw/zinc/85/71/83/1435857183.db2.gz AGHGEIQLMJDSBD-IBGZPJMESA-N 0 0 398.507 3.351 20 30 GGEDRN C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000282706023 1435857234 /nfs/dbraw/zinc/85/72/34/1435857234.db2.gz VHGVDXDWERUMGZ-HNNXBMFYSA-N 0 0 386.500 3.152 20 30 GGEDRN C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000282706028 1435857271 /nfs/dbraw/zinc/85/72/71/1435857271.db2.gz VHGVDXDWERUMGZ-OAHLLOKOSA-N 0 0 386.500 3.152 20 30 GGEDRN C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC000282708649 1435857403 /nfs/dbraw/zinc/85/74/03/1435857403.db2.gz VMWDBVKMCWETSH-VGOFRKELSA-N 0 0 397.523 3.183 20 30 GGEDRN C=CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](COCCOC)C1 ZINC000282711846 1435857516 /nfs/dbraw/zinc/85/75/16/1435857516.db2.gz VSLYSFMNIPHTTM-HNNXBMFYSA-N 0 0 376.888 3.274 20 30 GGEDRN C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](COCCOC)C1 ZINC000282715531 1435857622 /nfs/dbraw/zinc/85/76/22/1435857622.db2.gz WASGWIVUBXVGQL-KRWDZBQOSA-N 0 0 393.491 3.169 20 30 GGEDRN C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(OCCOC)CC1 ZINC000282722968 1435857856 /nfs/dbraw/zinc/85/78/56/1435857856.db2.gz WNMPZBBUSNWRLF-UHFFFAOYSA-N 0 0 376.888 3.416 20 30 GGEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)C(=O)NCCF ZINC000282724882 1435857974 /nfs/dbraw/zinc/85/79/74/1435857974.db2.gz LWZIOQOUNAAFEV-AWEZNQCLSA-N 0 0 384.411 3.255 20 30 GGEDRN C=CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(SC)c(OC)c1 ZINC000282729787 1435858150 /nfs/dbraw/zinc/85/81/50/1435858150.db2.gz XALQMPAPOFNHAO-UHFFFAOYSA-N 0 0 384.509 3.232 20 30 GGEDRN 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TWLYIJZLVGJFSD-LLVKDONJSA-N 0 0 391.443 3.432 20 30 GGEDRN CC1(C#N)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCO2)CC1 ZINC000283369764 1435886489 /nfs/dbraw/zinc/88/64/89/1435886489.db2.gz KMFGDOFVYDZQAY-OAHLLOKOSA-N 0 0 386.887 3.303 20 30 GGEDRN CC[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCO1 ZINC000283369889 1435886549 /nfs/dbraw/zinc/88/65/49/1435886549.db2.gz KOEGMYXHLQURMV-PKOBYXMFSA-N 0 0 394.523 3.169 20 30 GGEDRN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N(C)Cc1ncc(CC)s1 ZINC000283375781 1435886764 /nfs/dbraw/zinc/88/67/64/1435886764.db2.gz URQYQEOAYIJZHL-CQSZACIVSA-N 0 0 379.530 3.234 20 30 GGEDRN C=CCOc1ccc(C(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1OC ZINC000283382880 1435887108 /nfs/dbraw/zinc/88/71/08/1435887108.db2.gz ZZUUIFDLPRJXIL-SFHVURJKSA-N 0 0 395.459 3.296 20 30 GGEDRN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC000283384854 1435887253 /nfs/dbraw/zinc/88/72/53/1435887253.db2.gz VKFREBGCKOESJX-UHFFFAOYSA-N 0 0 398.404 3.478 20 30 GGEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC000283398183 1435887924 /nfs/dbraw/zinc/88/79/24/1435887924.db2.gz WLGZFDNCIXIQIF-IEBWSBKVSA-N 0 0 396.539 3.437 20 30 GGEDRN COC(=O)[C@]1(C)CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@H]1C ZINC000283400777 1435888101 /nfs/dbraw/zinc/88/81/01/1435888101.db2.gz VDBNHLZNNVWUOJ-SPLOXXLWSA-N 0 0 382.416 3.001 20 30 GGEDRN CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCO[C@@H](C#N)C1 ZINC000283402311 1435888191 /nfs/dbraw/zinc/88/81/91/1435888191.db2.gz HHPBUZCWIAFCJR-BEFAXECRSA-N 0 0 377.448 3.320 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2nc(C)no2)CC1 ZINC000283414592 1435888826 /nfs/dbraw/zinc/88/88/26/1435888826.db2.gz XEQWSCCKRJTUMY-UHFFFAOYSA-N 0 0 389.463 3.468 20 30 GGEDRN C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@H](COCCOC)C1 ZINC000283419638 1435889065 /nfs/dbraw/zinc/88/90/65/1435889065.db2.gz XMMUTCNEBGEZGU-KRWDZBQOSA-N 0 0 395.507 3.492 20 30 GGEDRN C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@@H](COCCOC)C1 ZINC000283419642 1435889069 /nfs/dbraw/zinc/88/90/69/1435889069.db2.gz XMMUTCNEBGEZGU-QGZVFWFLSA-N 0 0 395.507 3.492 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000283425704 1435889265 /nfs/dbraw/zinc/88/92/65/1435889265.db2.gz XWZGEIATKRWXPI-MAUKXSAKSA-N 0 0 379.464 3.028 20 30 GGEDRN CC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)C1 ZINC000283427667 1435889273 /nfs/dbraw/zinc/88/92/73/1435889273.db2.gz PUWANDOLGIXFQI-QGZVFWFLSA-N 0 0 381.480 3.002 20 30 GGEDRN C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(NC(=O)C2CC2)CC1 ZINC000283430910 1435889418 /nfs/dbraw/zinc/88/94/18/1435889418.db2.gz YGXXJAALLQQWBF-UHFFFAOYSA-N 0 0 397.498 3.079 20 30 GGEDRN Cc1ncsc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO1 ZINC000283435609 1435889641 /nfs/dbraw/zinc/88/96/41/1435889641.db2.gz NOFSHPSRODEDQF-QGZVFWFLSA-N 0 0 394.504 3.397 20 30 GGEDRN C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000283442248 1435890066 /nfs/dbraw/zinc/89/00/66/1435890066.db2.gz YXTQOROLRAMNLO-PKOBYXMFSA-N 0 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ZINC000283448129 1435890311 /nfs/dbraw/zinc/89/03/11/1435890311.db2.gz OBSMVBMKUFKHRA-UHFFFAOYSA-N 0 0 394.523 3.167 20 30 GGEDRN C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCCO2)CC1 ZINC000283450879 1435890390 /nfs/dbraw/zinc/89/03/90/1435890390.db2.gz ODYGHABNIHRXJN-FQEVSTJZSA-N 0 0 382.508 3.407 20 30 GGEDRN C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCCO2)CC1 ZINC000283450883 1435890397 /nfs/dbraw/zinc/89/03/97/1435890397.db2.gz ODYGHABNIHRXJN-HXUWFJFHSA-N 0 0 382.508 3.407 20 30 GGEDRN CN(CCC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000283452643 1435890520 /nfs/dbraw/zinc/89/05/20/1435890520.db2.gz RDJSPEZXQOYYMP-LJQANCHMSA-N 0 0 395.507 3.106 20 30 GGEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N1CC[C@H](CC(F)(F)F)C1 ZINC000283453624 1435890673 /nfs/dbraw/zinc/89/06/73/1435890673.db2.gz ZQAIGDAMQRSGRM-CYBMUJFWSA-N 0 0 397.401 3.156 20 30 GGEDRN CCCCCCCCCNC(=O)C(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000283457561 1435890783 /nfs/dbraw/zinc/89/07/83/1435890783.db2.gz KTUJXFGSVGACSE-AREMUKBSSA-N 0 0 380.554 3.249 20 30 GGEDRN C=C(C)Cn1c(C)nnc1N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000283458208 1435890901 /nfs/dbraw/zinc/89/09/01/1435890901.db2.gz AFMRSORAHMINSL-INIZCTEOSA-N 0 0 386.475 3.340 20 30 GGEDRN C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC(CCC(N)=O)CC1 ZINC000283460799 1435890990 /nfs/dbraw/zinc/89/09/90/1435890990.db2.gz AMDUYFRDBCFUMN-UHFFFAOYSA-N 0 0 397.523 3.224 20 30 GGEDRN CN(CCC#N)c1ccc(CNc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 ZINC000283467322 1435891223 /nfs/dbraw/zinc/89/12/23/1435891223.db2.gz SCNBAXBMRBIVGT-UHFFFAOYSA-N 0 0 391.519 3.036 20 30 GGEDRN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000283473805 1435891471 /nfs/dbraw/zinc/89/14/71/1435891471.db2.gz BLVZIVIVYAROSL-UHFFFAOYSA-N 0 0 386.500 3.343 20 30 GGEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000283482440 1435891899 /nfs/dbraw/zinc/89/18/99/1435891899.db2.gz CGTXBKUBDFJJKJ-HXUWFJFHSA-N 0 0 397.523 3.471 20 30 GGEDRN C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(=O)OC)[C@@H](C)C1 ZINC000283485916 1435892135 /nfs/dbraw/zinc/89/21/35/1435892135.db2.gz CNWQDPBVQMNJMB-YOEHRIQHSA-N 0 0 399.451 3.065 20 30 GGEDRN C=C(C)Cn1c(CC2CC2)nnc1N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000283488473 1435892239 /nfs/dbraw/zinc/89/22/39/1435892239.db2.gz CUKNIKJVMIYCDL-UHFFFAOYSA-N 0 0 395.507 3.367 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](COC)C1 ZINC000283488214 1435892272 /nfs/dbraw/zinc/89/22/72/1435892272.db2.gz CTCDWIVUSKFCII-OAHLLOKOSA-N 0 0 392.887 3.035 20 30 GGEDRN CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC(C)(C)O1 ZINC000283492152 1435892424 /nfs/dbraw/zinc/89/24/24/1435892424.db2.gz QJOZDPYXVLVGJI-GOSISDBHSA-N 0 0 395.507 3.390 20 30 GGEDRN C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC2(C1)CCOCC2 ZINC000283497232 1435892615 /nfs/dbraw/zinc/89/26/15/1435892615.db2.gz DKEJXEUXMMNOHP-IBGZPJMESA-N 0 0 396.491 3.374 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC000283497258 1435892624 /nfs/dbraw/zinc/89/26/24/1435892624.db2.gz DKQLMVLIPZICRL-UHFFFAOYSA-N 0 0 389.463 3.016 20 30 GGEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(O)(c2ccccc2)CC1 ZINC000283503644 1435892932 /nfs/dbraw/zinc/89/29/32/1435892932.db2.gz DTHFCOSPMIJPJI-UHFFFAOYSA-N 0 0 375.476 3.404 20 30 GGEDRN C[C@H](NC(=O)C(=O)NCC1(c2ccccc2Cl)CC1)c1ccc(C#N)cc1 ZINC000283506698 1435893056 /nfs/dbraw/zinc/89/30/56/1435893056.db2.gz BFSSVOVMNBJVDK-AWEZNQCLSA-N 0 0 381.863 3.237 20 30 GGEDRN C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC000283512290 1435893329 /nfs/dbraw/zinc/89/33/29/1435893329.db2.gz FMHQTHZJOHSBKQ-DENIHFKCSA-N 0 0 382.508 3.392 20 30 GGEDRN C[C@@H](c1ccccc1)N(C)C(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000283518252 1435893609 /nfs/dbraw/zinc/89/36/09/1435893609.db2.gz KLTQSDVZGDMFRP-KRWDZBQOSA-N 0 0 391.471 3.148 20 30 GGEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](CC)C1 ZINC000283519472 1435893611 /nfs/dbraw/zinc/89/36/11/1435893611.db2.gz FXAFXAHFTYIRTL-KRWDZBQOSA-N 0 0 381.528 3.265 20 30 GGEDRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCO2)c1 ZINC000283519683 1435893617 /nfs/dbraw/zinc/89/36/17/1435893617.db2.gz RTMJITXOZRDWIU-QZTJIDSGSA-N 0 0 383.496 3.249 20 30 GGEDRN COc1ccc(CN(C(=O)C(=O)NCc2cccc(C#N)c2)[C@@H](C)C2CC2)cc1 ZINC000283521503 1435893725 /nfs/dbraw/zinc/89/37/25/1435893725.db2.gz CLMADJLNFZOHOO-INIZCTEOSA-N 0 0 391.471 3.010 20 30 GGEDRN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H](C)c1nccs1 ZINC000283524272 1435893840 /nfs/dbraw/zinc/89/38/40/1435893840.db2.gz GFPXPEKVIROUFB-CQSZACIVSA-N 0 0 385.541 3.412 20 30 GGEDRN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)c2ccccc2)CC1 ZINC000283529781 1435894071 /nfs/dbraw/zinc/89/40/71/1435894071.db2.gz GQJWAEVMXHKADK-UHFFFAOYSA-N 0 0 391.523 3.360 20 30 GGEDRN C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCOC2(CCC2)C1 ZINC000283529759 1435894102 /nfs/dbraw/zinc/89/41/02/1435894102.db2.gz GPYDJNKXENNDDI-UHFFFAOYSA-N 0 0 384.480 3.201 20 30 GGEDRN C[C@H](NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000283544460 1435894762 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ONRYMMIIOBTXOO-CABCVRRESA-N 0 0 378.473 3.107 20 30 GGEDRN C[C@H]1CCCN(c2ccc(CNC(=O)N3CCO[C@H](C#N)C3)cc2Cl)C1 ZINC000283777695 1435921403 /nfs/dbraw/zinc/92/14/03/1435921403.db2.gz KKFIDHHVHIFZLR-GOEBONIOSA-N 0 0 376.888 3.010 20 30 GGEDRN C[C@H]1CCCN(c2ccc(CNC(=O)N3CCO[C@@H](C#N)C3)cc2Cl)C1 ZINC000283777699 1435921730 /nfs/dbraw/zinc/92/17/30/1435921730.db2.gz KKFIDHHVHIFZLR-HOCLYGCPSA-N 0 0 376.888 3.010 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)OCc3ccc([N+](=O)[O-])c(C)c3)CC2)o1 ZINC000283801364 1435926834 /nfs/dbraw/zinc/92/68/34/1435926834.db2.gz AZNLCPYGDZCERS-UHFFFAOYSA-N 0 0 384.392 3.031 20 30 GGEDRN CCN(C(=O)[C@H]1CCS(=O)(=O)c2ccccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000283805477 1435927267 /nfs/dbraw/zinc/92/72/67/1435927267.db2.gz BBESRCVNJKMZCF-KXBFYZLASA-N 0 0 382.485 3.429 20 30 GGEDRN CCn1c(COc2ccccc2OC)nnc1N(C)Cc1cccc(C#N)c1 ZINC000283820702 1435930077 /nfs/dbraw/zinc/93/00/77/1435930077.db2.gz ZGCTXAZPQHIBFN-UHFFFAOYSA-N 0 0 377.448 3.394 20 30 GGEDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000283837769 1435933776 /nfs/dbraw/zinc/93/37/76/1435933776.db2.gz FCFUDSBDQDLJQY-MRXNPFEDSA-N 0 0 379.460 3.270 20 30 GGEDRN CC(C)Oc1ccc(CC[C@@H](C)NC(=O)C(=O)NCc2cccc(C#N)c2)cc1 ZINC000283843215 1435934612 /nfs/dbraw/zinc/93/46/12/1435934612.db2.gz FIOGHMCWKBWDEB-QGZVFWFLSA-N 0 0 393.487 3.099 20 30 GGEDRN C=C(C)CN(CC)C(=O)C(=O)NCc1ccc(Oc2ccccc2OCC)nc1 ZINC000283850634 1435936460 /nfs/dbraw/zinc/93/64/60/1435936460.db2.gz BJGMGVIESFCEQQ-UHFFFAOYSA-N 0 0 397.475 3.313 20 30 GGEDRN C[C@H](NC(=O)C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000283854601 1435936861 /nfs/dbraw/zinc/93/68/61/1435936861.db2.gz FWIWYKFMENYQHY-DQLDELGASA-N 0 0 391.471 3.020 20 30 GGEDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000283854698 1435936863 /nfs/dbraw/zinc/93/68/63/1435936863.db2.gz FWVNZVGHASBXTM-AWEZNQCLSA-N 0 0 384.505 3.282 20 30 GGEDRN C=CCc1cc(OC)ccc1OC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000283854441 1435937197 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CCOc1ccccc1[C@H](CC)NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000283990806 1435969196 /nfs/dbraw/zinc/96/91/96/1435969196.db2.gz HKYPEUUZUKVOMI-IBGZPJMESA-N 0 0 379.460 3.183 20 30 GGEDRN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000284026838 1435975104 /nfs/dbraw/zinc/97/51/04/1435975104.db2.gz NYDQIFVCBRGIGY-HUUCEWRRSA-N 0 0 385.489 3.473 20 30 GGEDRN C[C@H](NC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000284039088 1435978288 /nfs/dbraw/zinc/97/82/88/1435978288.db2.gz PIXGLVMRCIXQKF-STQMWFEESA-N 0 0 387.386 3.214 20 30 GGEDRN CCOc1ccc(C(=O)C(C(=S)NC2(C)CC2)[n+]2cc([O-])ccc2F)cc1 ZINC000284039269 1435978547 /nfs/dbraw/zinc/97/85/47/1435978547.db2.gz IVBWYRDKZPMHOU-UHFFFAOYSA-O 0 0 389.472 3.298 20 30 GGEDRN C[C@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)NCc2cccc(C#N)c2)C2CC2)o1 ZINC000284059482 1435983125 /nfs/dbraw/zinc/98/31/25/1435983125.db2.gz QOPBGBYPPPAFIY-LIRRHRJNSA-N 0 0 377.444 3.082 20 30 GGEDRN CCc1cccc2c(CCNC(=O)C(=O)N[C@H](C)c3ccc(C#N)cc3)c[nH]c21 ZINC000284069330 1435984216 /nfs/dbraw/zinc/98/42/16/1435984216.db2.gz RFXBOTWWSNAPJV-OAHLLOKOSA-N 0 0 388.471 3.138 20 30 GGEDRN N#CCCCCNC(=O)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000284072254 1435986261 /nfs/dbraw/zinc/98/62/61/1435986261.db2.gz PBONSURSWWMRHQ-LJQANCHMSA-N 0 0 388.471 3.226 20 30 GGEDRN C[C@@H](NC(=O)C(=O)N(Cc1cccs1)C[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000284078401 1435986520 /nfs/dbraw/zinc/98/65/20/1435986520.db2.gz RWKCCAMCWGYZNG-CRAIPNDOSA-N 0 0 397.500 3.005 20 30 GGEDRN N#CC1(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)CCCCC1 ZINC000284089574 1435988734 /nfs/dbraw/zinc/98/87/34/1435988734.db2.gz RYMFZZKIDHSOEE-UHFFFAOYSA-N 0 0 384.505 3.070 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000284091731 1435989251 /nfs/dbraw/zinc/98/92/51/1435989251.db2.gz AWBGHCUPEXBDQP-PVAVHDDUSA-N 0 0 387.505 3.189 20 30 GGEDRN C[C@H](NC(=O)C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1)c1ccc(C#N)cc1 ZINC000284112901 1435992967 /nfs/dbraw/zinc/99/29/67/1435992967.db2.gz UTTUQLRQYWSWRB-DCPHZVHLSA-N 0 0 379.435 3.327 20 30 GGEDRN C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1ccc(C#N)cc1 ZINC000284112886 1435993005 /nfs/dbraw/zinc/99/30/05/1435993005.db2.gz UTTUQLRQYWSWRB-ADLFWFRXSA-N 0 0 379.435 3.327 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000284115836 1435993554 /nfs/dbraw/zinc/99/35/54/1435993554.db2.gz NNENCOMHJFZSBV-QGZVFWFLSA-N 0 0 383.448 3.009 20 30 GGEDRN COc1cccc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000284139656 1435997530 /nfs/dbraw/zinc/99/75/30/1435997530.db2.gz OIIGPXPYLGLDHR-MRXNPFEDSA-N 0 0 379.460 3.181 20 30 GGEDRN COc1cc(/C=C/C(=O)Nc2nc(C)c3c(n2)CCCC3)ccc1OCC#N ZINC000284144816 1435998455 /nfs/dbraw/zinc/99/84/55/1435998455.db2.gz SRTLOTKBOHPBIR-CSKARUKUSA-N 0 0 378.432 3.227 20 30 GGEDRN N#CC1(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CCCCC1 ZINC000284143510 1435998515 /nfs/dbraw/zinc/99/85/15/1435998515.db2.gz VLURRIVWCNOZAA-UHFFFAOYSA-N 0 0 375.419 3.160 20 30 GGEDRN C[C@H](NC(=O)C(=O)NCCc1ccccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000284153222 1436000016 /nfs/dbraw/zinc/00/00/16/1436000016.db2.gz XLSYZABESITSPC-ZDUSSCGKSA-N 0 0 389.377 3.113 20 30 GGEDRN C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000284153225 1436000050 /nfs/dbraw/zinc/00/00/50/1436000050.db2.gz XLXKPMDUYVYRLX-QWHCGFSZSA-N 0 0 387.386 3.214 20 30 GGEDRN CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000284164214 1436000933 /nfs/dbraw/zinc/00/09/33/1436000933.db2.gz YGDCAINRTCDVDY-DNVCBOLYSA-N 0 0 379.460 3.402 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)c1cccc(OC)c1 ZINC000284171120 1436001329 /nfs/dbraw/zinc/00/13/29/1436001329.db2.gz PYIKVYJPQJLLCP-INIZCTEOSA-N 0 0 379.460 3.183 20 30 GGEDRN C=C[C@H](CC(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1)c1ccccc1 ZINC000284171650 1436001577 /nfs/dbraw/zinc/00/15/77/1436001577.db2.gz RNOPOBGTCQELEV-QGZVFWFLSA-N 0 0 398.528 3.182 20 30 GGEDRN C[C@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)C3(C#N)CCCCC3)c2)C1=O ZINC000284284289 1436009873 /nfs/dbraw/zinc/00/98/73/1436009873.db2.gz YEMCLTJJCWYGCT-HXUWFJFHSA-N 0 0 380.448 3.324 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)c1ccc(OC)cc1 ZINC000284323774 1436013211 /nfs/dbraw/zinc/01/32/11/1436013211.db2.gz ZHASLUNMMKRGQA-INIZCTEOSA-N 0 0 379.460 3.183 20 30 GGEDRN Cc1coc(C)c1C(=O)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1 ZINC000284343156 1436014592 /nfs/dbraw/zinc/01/45/92/1436014592.db2.gz NKSOXSMBTZAMTQ-UHFFFAOYSA-N 0 0 389.477 3.400 20 30 GGEDRN CC(=O)c1cc(F)c(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)c(F)c1 ZINC000284342721 1436014733 /nfs/dbraw/zinc/01/47/33/1436014733.db2.gz XTNKINBQQXJZLU-UHFFFAOYSA-N 0 0 388.374 3.191 20 30 GGEDRN C[C@@H](NC(=O)C(=O)NCc1ccccc1OC1CCCC1)c1ccc(C#N)cc1 ZINC000284355367 1436015398 /nfs/dbraw/zinc/01/53/98/1436015398.db2.gz YKPPBTKTIAOZCF-MRXNPFEDSA-N 0 0 391.471 3.373 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@H]1[C@H]1CCCO1 ZINC000284442324 1436022130 /nfs/dbraw/zinc/02/21/30/1436022130.db2.gz ZSAZXCXWUILVLY-HYVNUMGLSA-N 0 0 387.505 3.047 20 30 GGEDRN Cc1cc(F)cc2c1ncc(C#N)c2N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000284441473 1436022205 /nfs/dbraw/zinc/02/22/05/1436022205.db2.gz FQJSNMPSTZSTMP-QGZVFWFLSA-N 0 0 392.438 3.308 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000284442322 1436022275 /nfs/dbraw/zinc/02/22/75/1436022275.db2.gz ZSAZXCXWUILVLY-DJIMGWMZSA-N 0 0 387.505 3.047 20 30 GGEDRN CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](C#N)C1 ZINC000284458768 1436023239 /nfs/dbraw/zinc/02/32/39/1436023239.db2.gz RTQHMWULQMFOJF-GOSISDBHSA-N 0 0 376.464 3.101 20 30 GGEDRN Cc1cc(C(=O)C(C(=S)NC2(C)CC2)[n+]2cccc([O-])c2)c(F)cc1F ZINC000284469487 1436023969 /nfs/dbraw/zinc/02/39/69/1436023969.db2.gz REUBPDCSLTVYOU-UHFFFAOYSA-O 0 0 377.436 3.347 20 30 GGEDRN CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)N(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000284481457 1436024925 /nfs/dbraw/zinc/02/49/25/1436024925.db2.gz FMJHCIFVJSOGRJ-SJORKVTESA-N 0 0 394.479 3.477 20 30 GGEDRN N#Cc1ccc(CN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)C2CC2)cc1 ZINC000284495162 1436025982 /nfs/dbraw/zinc/02/59/82/1436025982.db2.gz ZTGYFYNBTZWVTF-LJQANCHMSA-N 0 0 380.469 3.010 20 30 GGEDRN N#CCCN(C(=O)CCC(=O)N1CCC2(CCOCC2)CC1)c1ccccc1 ZINC000284526553 1436028209 /nfs/dbraw/zinc/02/82/09/1436028209.db2.gz CEDROPUPNZMDPX-UHFFFAOYSA-N 0 0 383.492 3.133 20 30 GGEDRN COCC1(NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CCC1 ZINC000284531018 1436028432 /nfs/dbraw/zinc/02/84/32/1436028432.db2.gz DJKMROSRLCGIAJ-UHFFFAOYSA-N 0 0 389.506 3.393 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N(Cc3ccccn3)C(C)(C)C)CC2)o1 ZINC000284538141 1436028813 /nfs/dbraw/zinc/02/88/13/1436028813.db2.gz CNOPNYXNSJDYKR-UHFFFAOYSA-N 0 0 381.480 3.293 20 30 GGEDRN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)Nc2cc(C#N)ccc2OC)cc1 ZINC000284552462 1436029949 /nfs/dbraw/zinc/02/99/49/1436029949.db2.gz HWNNWOHMSKDIJJ-CYBMUJFWSA-N 0 0 387.461 3.243 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000284621851 1436035431 /nfs/dbraw/zinc/03/54/31/1436035431.db2.gz YFNXUFZYDHLHRB-KRWDZBQOSA-N 0 0 393.487 3.427 20 30 GGEDRN C[C@@H](NC(=O)c1ccc(F)c(C#N)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000284706987 1436041775 /nfs/dbraw/zinc/04/17/75/1436041775.db2.gz QDYYMNVTCXBQRF-CQSZACIVSA-N 0 0 380.423 3.055 20 30 GGEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000284738506 1436044860 /nfs/dbraw/zinc/04/48/60/1436044860.db2.gz UNTUAFLVQBTOPS-INIZCTEOSA-N 0 0 378.432 3.388 20 30 GGEDRN COc1ccccc1OCC(=O)Nc1cccc(NC(=O)N2CC(C)(C#N)C2)c1 ZINC000284789419 1436050312 /nfs/dbraw/zinc/05/03/12/1436050312.db2.gz LGQWFDHGTHNPTO-UHFFFAOYSA-N 0 0 394.431 3.090 20 30 GGEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCC[C@@H]2[C@H]2CCCO2)c1C#N ZINC000284801105 1436051156 /nfs/dbraw/zinc/05/11/56/1436051156.db2.gz OPVAZURTZBVUKQ-WOJBJXKFSA-N 0 0 396.491 3.200 20 30 GGEDRN CC(C)C[N@H+](Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1ccc(C#N)cc1 ZINC000824261838 1441496198 /nfs/dbraw/zinc/49/61/98/1441496198.db2.gz RRRJOMWDTPUCNG-UHFFFAOYSA-N 0 0 386.463 3.044 20 30 GGEDRN CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000823961910 1441613633 /nfs/dbraw/zinc/61/36/33/1441613633.db2.gz CALHAMLBDZSDMW-MRXNPFEDSA-N 0 0 394.483 3.288 20 30 GGEDRN C=CCCC[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000735412919 1441692321 /nfs/dbraw/zinc/69/23/21/1441692321.db2.gz MXFPNSADVBBAPU-ZDUSSCGKSA-N 0 0 388.541 3.280 20 30 GGEDRN C[C@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC000824860402 1441965822 /nfs/dbraw/zinc/96/58/22/1441965822.db2.gz UJRUCNKQAQHBQX-ZDUSSCGKSA-N 0 0 396.886 3.368 20 30 GGEDRN C=CC[NH+](CC=C)[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C(C)C ZINC000735419271 1442131517 /nfs/dbraw/zinc/13/15/17/1442131517.db2.gz RGOAVFPEWKBPCS-CQSZACIVSA-N 0 0 395.433 3.391 20 30 GGEDRN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820413765 1443207622 /nfs/dbraw/zinc/20/76/22/1443207622.db2.gz VSJPFGNHIWMYPL-NEPJUHHUSA-N 0 0 395.854 3.070 20 30 GGEDRN C[C@@H]1CC[N@H+](Cc2ccccc2)CC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824962127 1443358876 /nfs/dbraw/zinc/35/88/76/1443358876.db2.gz OMPHKTUUKKYAGO-CYBMUJFWSA-N 0 0 396.886 3.225 20 30 GGEDRN Cc1nn(-c2ccccc2)c(CN(CCC#N)CC(C)(C)C)c1-c1nn[n-]n1 ZINC000826332072 1443362512 /nfs/dbraw/zinc/36/25/12/1443362512.db2.gz IWVJNKBXPYRMBU-UHFFFAOYSA-N 0 0 378.484 3.123 20 30 GGEDRN Clc1cccc(C#CC[N@@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000826353528 1443903708 /nfs/dbraw/zinc/90/37/08/1443903708.db2.gz SXEUXYPPAKNUPM-UHFFFAOYSA-N 0 0 392.894 3.084 20 30 GGEDRN N#Cc1ccc(C[N@H+]2CCCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cc1 ZINC000737712751 1446576825 /nfs/dbraw/zinc/57/68/25/1446576825.db2.gz SFKDRXYRHUILPT-UHFFFAOYSA-N 0 0 393.882 3.104 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000819742823 1446611994 /nfs/dbraw/zinc/61/19/94/1446611994.db2.gz AFUVDKZAVKGFHG-LJQANCHMSA-N 0 0 394.523 3.036 20 30 GGEDRN C[C@H](C#N)Oc1ccc(C[NH2+]CCSCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735506350 1446734238 /nfs/dbraw/zinc/73/42/38/1446734238.db2.gz WDNCQIGEGLYHRU-OAHLLOKOSA-N 0 0 394.504 3.181 20 30 GGEDRN C=CC[N@@H+](Cc1cccc(OCCOC)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823919713 1447152053 /nfs/dbraw/zinc/15/20/53/1447152053.db2.gz NYVBZNPICOLMRJ-UHFFFAOYSA-N 0 0 379.464 3.080 20 30 GGEDRN C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824554499 1449466639 /nfs/dbraw/zinc/46/66/39/1449466639.db2.gz PTAPTXUEHJMNTK-ZDUSSCGKSA-N 0 0 387.365 3.468 20 30 GGEDRN C=CCC[C@@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823894033 1450012842 /nfs/dbraw/zinc/01/28/42/1450012842.db2.gz FPMCLRZWJHQJOD-LJQANCHMSA-N 0 0 376.464 3.492 20 30 GGEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCS(=O)(=O)CC3)cnc2Cl)c1 ZINC001164432838 718959754 /nfs/dbraw/zinc/95/97/54/718959754.db2.gz ZAJOUOZWSPERHS-UHFFFAOYSA-N 0 0 397.834 3.053 20 30 GGEDRN C[C@H]1CN(C(F)(F)c2nc(Cl)c(C#N)c(C(F)(F)F)n2)[C@@H](C)CN1C ZINC001164634027 719255554 /nfs/dbraw/zinc/25/55/54/719255554.db2.gz 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UUYCOPJDDSZLQP-SWLSCSKDSA-N 0 0 382.842 3.235 20 30 GGEDRN CCOC[C@@H]1CN(C(F)(F)c2cc(Cl)nc(C#N)c2)Cc2cnn(C)c21 ZINC001164789138 721476738 /nfs/dbraw/zinc/47/67/38/721476738.db2.gz BHQUTULPGHYUFF-LBPRGKRZSA-N 0 0 381.814 3.025 20 30 GGEDRN CCOC[C@H]1CN(C(F)(F)c2cnc(Cl)cc2C#N)Cc2cnn(C)c21 ZINC001164793519 721477049 /nfs/dbraw/zinc/47/70/49/721477049.db2.gz WPZIVKLWAPBPLN-CYBMUJFWSA-N 0 0 381.814 3.025 20 30 GGEDRN CCOC[C@@H]1CN(C(F)(F)c2cc(C#N)cc(Cl)n2)Cc2cnn(C)c21 ZINC001164791430 721477259 /nfs/dbraw/zinc/47/72/59/721477259.db2.gz IMXKSEWUXRYQNH-ZDUSSCGKSA-N 0 0 381.814 3.025 20 30 GGEDRN Cc1cc(Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1C#N ZINC001164803711 721530239 /nfs/dbraw/zinc/53/02/39/721530239.db2.gz IVPCSCOZNJVVQT-WSTZPKSXSA-N 0 0 397.910 3.178 20 30 GGEDRN Cc1cc(Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1C#N ZINC001164803705 721530361 /nfs/dbraw/zinc/53/03/61/721530361.db2.gz IVPCSCOZNJVVQT-BJLQDIEVSA-N 0 0 397.910 3.178 20 30 GGEDRN 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Cc1cnc2n1CCN(C)C21CCN(c2nc(C)c(Cl)c(C)c2C#N)CC1 ZINC001164916197 721812635 /nfs/dbraw/zinc/81/26/35/721812635.db2.gz FUFPLWGMKZLRTF-UHFFFAOYSA-N 0 0 384.915 3.170 20 30 GGEDRN Cc1cnc2n1CCN(C)C21CCN(c2nc(C#N)c(Cl)cc2Cl)CC1 ZINC001164918084 721820631 /nfs/dbraw/zinc/82/06/31/721820631.db2.gz AOWHIFVUQQGPKI-UHFFFAOYSA-N 0 0 391.306 3.206 20 30 GGEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCN(C(N)=O)CC3)cnc2Cl)cc1 ZINC001165042780 721941586 /nfs/dbraw/zinc/94/15/86/721941586.db2.gz QDNYWQKURMSPBH-UHFFFAOYSA-N 0 0 391.809 3.019 20 30 GGEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCN(C(N)=O)CC3)cnc2Cl)c1 ZINC001165042239 721941644 /nfs/dbraw/zinc/94/16/44/721941644.db2.gz KVQYWHXJPSIDAM-UHFFFAOYSA-N 0 0 391.809 3.019 20 30 GGEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(C3)OCCO4)c(Cl)nn2)c1 ZINC001165048696 721986095 /nfs/dbraw/zinc/98/60/95/721986095.db2.gz OSMRXRNDTMAPIF-UHFFFAOYSA-N 0 0 392.793 3.167 20 30 GGEDRN N#Cc1c(Cl)nc(C(F)(F)N2CCn3cccc3C2)nc1C(F)(F)F ZINC001165051596 721992257 /nfs/dbraw/zinc/99/22/57/721992257.db2.gz KMZABTJLDMHLCW-UHFFFAOYSA-N 0 0 377.704 3.387 20 30 GGEDRN Cc1ccc([C@H](C#N)c2ccc(N3CCN(CCc4ccccn4)CC3)nn2)cc1 ZINC001165054260 722009164 /nfs/dbraw/zinc/00/91/64/722009164.db2.gz UYQLTKJHHNIIAM-QFIPXVFZSA-N 0 0 398.514 3.200 20 30 GGEDRN N#Cc1ccc(-c2cccs2)nc1N1CCN(CCc2ccccn2)CC1 ZINC001165056049 722017644 /nfs/dbraw/zinc/01/76/44/722017644.db2.gz UZASEKWXLIFRLO-UHFFFAOYSA-N 0 0 375.501 3.441 20 30 GGEDRN N#Cc1ccc(C(F)(F)N2C[C@H]3CCN(C(=O)c4ccco4)[C@H]3C2)nc1Cl ZINC001164956900 722046218 /nfs/dbraw/zinc/04/62/18/722046218.db2.gz DPEDALYDKQENHM-OLZOCXBDSA-N 0 0 392.793 3.095 20 30 GGEDRN N#Cc1c(Cl)nccc1C(F)(F)N1C[C@H]2[C@@H](CCN2C(=O)c2ccco2)C1 ZINC001164957374 722046494 /nfs/dbraw/zinc/04/64/94/722046494.db2.gz IZGBTWJSUXGVRU-FZMZJTMJSA-N 0 0 392.793 3.095 20 30 GGEDRN N#Cc1c(Cl)nccc1C(F)(F)N1C[C@H]2CCN(C(=O)c3ccco3)[C@H]2C1 ZINC001164957376 722046603 /nfs/dbraw/zinc/04/66/03/722046603.db2.gz IZGBTWJSUXGVRU-RISCZKNCSA-N 0 0 392.793 3.095 20 30 GGEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001164961762 722046797 /nfs/dbraw/zinc/04/67/97/722046797.db2.gz ZVISSTCZDPGMNI-SMDDNHRTSA-N 0 0 392.793 3.095 20 30 GGEDRN N#Cc1cc(C(F)(F)N2C[C@H]3CCN(C(=O)c4ccco4)[C@H]3C2)cc(Cl)n1 ZINC001164957042 722047125 /nfs/dbraw/zinc/04/71/25/722047125.db2.gz HBSXYYXIRREVKU-RISCZKNCSA-N 0 0 392.793 3.095 20 30 GGEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1C[C@H]2[C@@H](CCN2C(=O)c2ccco2)C1 ZINC001164961299 722047314 /nfs/dbraw/zinc/04/73/14/722047314.db2.gz YHYLNCBPSCUXSG-STQMWFEESA-N 0 0 392.793 3.095 20 30 GGEDRN N#Cc1cc(Cl)nc(C(F)(F)N2C[C@H]3CC(C(=O)NC4CCC4)C[C@@H]3C2)c1 ZINC001164972592 722085120 /nfs/dbraw/zinc/08/51/20/722085120.db2.gz LUGQQMWXWPAJKH-ZIAGYGMSSA-N 0 0 394.853 3.283 20 30 GGEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1C[C@@H]2C[C@@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001164969827 722085124 /nfs/dbraw/zinc/08/51/24/722085124.db2.gz AKKLEENJHYYQNK-CLLJXQQHSA-N 0 0 394.853 3.283 20 30 GGEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1C[C@@H]2CC(C(=O)NC3CCC3)C[C@H]2C1 ZINC001164974980 722085146 /nfs/dbraw/zinc/08/51/46/722085146.db2.gz RUZABYGTWVBUDL-KBPBESRZSA-N 0 0 394.853 3.283 20 30 GGEDRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3ccnc(Cl)c3C#N)C2)C1=O ZINC001164980560 722161502 /nfs/dbraw/zinc/16/15/02/722161502.db2.gz NFRGOMBPUWHSTG-SFHVURJKSA-N 0 0 388.805 3.276 20 30 GGEDRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3ccc(C#N)c(Cl)n3)C2)C1=O ZINC001164973064 722161585 /nfs/dbraw/zinc/16/15/85/722161585.db2.gz KOOWFUCPVJXQDR-SFHVURJKSA-N 0 0 388.805 3.276 20 30 GGEDRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3nc(Cl)ccc3C#N)C2)C1=O ZINC001164982316 722162194 /nfs/dbraw/zinc/16/21/94/722162194.db2.gz VQLUHNGONFNJQA-GOSISDBHSA-N 0 0 388.805 3.276 20 30 GGEDRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)c(C)cc4C#N)CC[C@@H]32)cs1 ZINC001164986966 722180117 /nfs/dbraw/zinc/18/01/17/722180117.db2.gz GMGKFYAZEODUSV-VQTJNVASSA-N 0 0 397.548 3.205 20 30 GGEDRN C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)CC1 ZINC000908945110 939359785 /nfs/dbraw/zinc/35/97/85/939359785.db2.gz AINCBSXOPQXCLE-HXUWFJFHSA-N 0 0 381.476 3.305 20 30 GGEDRN C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)CC1 ZINC000908945109 939360030 /nfs/dbraw/zinc/36/00/30/939360030.db2.gz AINCBSXOPQXCLE-FQEVSTJZSA-N 0 0 381.476 3.305 20 30 GGEDRN C=C(C)C[NH+]1CCC(NC(=O)N[C@@](CC)(C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000908947045 939360371 /nfs/dbraw/zinc/36/03/71/939360371.db2.gz YUZGQHRKUGOARH-HXUWFJFHSA-N 0 0 393.915 3.370 20 30 GGEDRN C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC000908945624 939360578 /nfs/dbraw/zinc/36/05/78/939360578.db2.gz CZVVKHXQQBZSGL-INIZCTEOSA-N 0 0 399.413 3.171 20 30 GGEDRN C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)CC1 ZINC000908946170 939360634 /nfs/dbraw/zinc/36/06/34/939360634.db2.gz OFTXKFIXGQBXOF-HXUWFJFHSA-N 0 0 381.476 3.305 20 30 GGEDRN C=CCOCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@H](C(C)(C)C)C2 ZINC000735437670 944649920 /nfs/dbraw/zinc/64/99/20/944649920.db2.gz OGDOMZXFJDEQNI-NSHDSACASA-N 0 0 375.498 3.220 20 30 GGEDRN C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[nH]n2)c1)c1ccc(Br)cc1 ZINC000824045360 946565861 /nfs/dbraw/zinc/56/58/61/946565861.db2.gz LPEBKRQZGJGFEP-SNVBAGLBSA-N 0 0 397.236 3.243 20 30 GGEDRN C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[nH]n2)c1)c1ccc(Br)cc1 ZINC000824045355 946567612 /nfs/dbraw/zinc/56/76/12/946567612.db2.gz LPEBKRQZGJGFEP-JTQLQIEISA-N 0 0 397.236 3.243 20 30 GGEDRN C#C[C@H](NCc1cc(-c2nn[nH]n2)ccc1Br)c1ccc(F)cc1 ZINC001573279485 946641076 /nfs/dbraw/zinc/64/10/76/946641076.db2.gz IBGAFSBWOOZWPU-INIZCTEOSA-N 0 0 386.228 3.232 20 30 GGEDRN C#C[C@H](NC(=O)N(C)[C@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC001573279910 946649682 /nfs/dbraw/zinc/64/96/82/946649682.db2.gz LSGLFYKQTBFJPW-ACJLOTCBSA-N 0 0 378.411 3.083 20 30 GGEDRN C#C[C@H]1CCCCN1C(=O)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC001573281549 946677287 /nfs/dbraw/zinc/67/72/87/946677287.db2.gz ZUQHZSNBVJRTHB-SFHVURJKSA-N 0 0 387.443 3.074 20 30 GGEDRN C#CCCOc1ccc(C(=O)N(c2cccc(-c3nn[nH]n3)c2)C2CCC2)cc1 ZINC001573281908 946681865 /nfs/dbraw/zinc/68/18/65/946681865.db2.gz CEAYAVKARABOIO-UHFFFAOYSA-N 0 0 387.443 3.468 20 30 GGEDRN C#CCN(C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cc2C)cc1)C(C)C ZINC001573282198 946686364 /nfs/dbraw/zinc/68/63/64/946686364.db2.gz GNKBRBPNFGYTFY-UHFFFAOYSA-N 0 0 375.432 3.451 20 30 GGEDRN C#CCCCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N(CCC)CC1CC1 ZINC001573282305 946689110 /nfs/dbraw/zinc/68/91/10/946689110.db2.gz ILVIGIKMMRXNHQ-UHFFFAOYSA-N 0 0 390.495 3.165 20 30 GGEDRN C#CCCCCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CCC(=C)CC1 ZINC001573283077 946708081 /nfs/dbraw/zinc/70/80/81/946708081.db2.gz RLTSAEYQAYEMDD-UHFFFAOYSA-N 0 0 388.479 3.085 20 30 GGEDRN C#CCN(C(=O)c1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCCc2ccccc21 ZINC001573283284 946711854 /nfs/dbraw/zinc/71/18/54/946711854.db2.gz QVVULZLJTMUGOV-LJQANCHMSA-N 0 0 375.407 3.159 20 30 GGEDRN C#CCOc1ccccc1NC(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC001573287485 946839102 /nfs/dbraw/zinc/83/91/02/946839102.db2.gz CHGMXPCFQMZDNR-UHFFFAOYSA-N 0 0 392.419 3.310 20 30 GGEDRN C#C[C@H]1CC[C@H](Nc2c(-c3nn[nH]n3)cnc3c(OC)cc(OC)cc32)CC1 ZINC001573288002 946851636 /nfs/dbraw/zinc/85/16/36/946851636.db2.gz HFEVPIVRNHCLNJ-JOCQHMNTSA-N 0 0 378.436 3.036 20 30 GGEDRN C#CCSc1ccc(COC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[nH]n3)c2)cc1 ZINC001573288348 946863684 /nfs/dbraw/zinc/86/36/84/946863684.db2.gz JZKKCMZLQVXKQY-RBUKOAKNSA-N 0 0 390.468 3.439 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)N(C)[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001573288406 946863978 /nfs/dbraw/zinc/86/39/78/946863978.db2.gz KVGRXIZFQXINLV-CYBMUJFWSA-N 0 0 394.410 3.243 20 30 GGEDRN C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC001573290293 946902632 /nfs/dbraw/zinc/90/26/32/946902632.db2.gz IXCYEGHTEPTSLC-UHFFFAOYSA-N 0 0 387.374 3.427 20 30 GGEDRN C#CCSCC(=O)N(Cc1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1C ZINC001573290340 946903359 /nfs/dbraw/zinc/90/33/59/946903359.db2.gz XDBUOSKOSPUEKA-UHFFFAOYSA-N 0 0 395.463 3.214 20 30 GGEDRN C#Cc1ccc([C@@H](OC(=O)c2ccc(-c3nn[nH]n3)cc2F)C(F)(F)F)cc1 ZINC001573290525 946905927 /nfs/dbraw/zinc/90/59/27/946905927.db2.gz LCLNSPCATRXLQW-OAHLLOKOSA-N 0 0 390.296 3.448 20 30 GGEDRN C=C(C)CN(CC)c1nnc(-c2ccc(-c3nn[nH]n3)cc2)n1C[C@@H](C)SC ZINC001573293623 946962128 /nfs/dbraw/zinc/96/21/28/946962128.db2.gz DKKKOOXNCOGHHK-CQSZACIVSA-N 0 0 398.540 3.279 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001573293652 946963116 /nfs/dbraw/zinc/96/31/16/946963116.db2.gz FKGRJSMVVFOCNM-QAPCUYQASA-N 0 0 390.495 3.470 20 30 GGEDRN C=C(CNC(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC001573295399 947017818 /nfs/dbraw/zinc/01/78/18/947017818.db2.gz QABZNYSXQXEXEI-UHFFFAOYSA-N 0 0 378.436 3.489 20 30 GGEDRN C=C1CCN(c2nnc(-c3ccc(-c4nn[nH]n4)cc3)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001573296148 947040849 /nfs/dbraw/zinc/04/08/49/947040849.db2.gz LDGJXKLCOWJHOW-ZWKOTPCHSA-N 0 0 390.495 3.499 20 30 GGEDRN C=C(Cl)Cn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001573298049 947069890 /nfs/dbraw/zinc/06/98/90/947069890.db2.gz LZTAYLJHDXLQTI-MRXNPFEDSA-N 0 0 396.886 3.114 20 30 GGEDRN C=C(Cl)Cn1c([C@@H](C)CC)nnc1N(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573298165 947072051 /nfs/dbraw/zinc/07/20/51/947072051.db2.gz MZJQPYVADRZZAQ-LBPRGKRZSA-N 0 0 386.891 3.361 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNc1ccc(-c2nn[nH]n2)c(Br)c1F ZINC001573299668 947100555 /nfs/dbraw/zinc/10/05/55/947100555.db2.gz KUFGLHDQZOZHST-XPTSAGLGSA-N 0 0 382.237 3.161 20 30 GGEDRN C=C(C)C[C@@H](CO)NC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[nH]n2)c1 ZINC001573300691 947117158 /nfs/dbraw/zinc/11/71/58/947117158.db2.gz SELAQOPOORSJAH-HNNXBMFYSA-N 0 0 394.435 3.108 20 30 GGEDRN C=CCC(C)(C)Cn1c(CC)nnc1N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573318326 947305036 /nfs/dbraw/zinc/30/50/36/947305036.db2.gz AMECPRQCPRAIHL-UHFFFAOYSA-N 0 0 380.500 3.259 20 30 GGEDRN C=CCCC(C)(C)CNC(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC001573328191 947404931 /nfs/dbraw/zinc/40/49/31/947404931.db2.gz SADRKCOCYYTQPD-UHFFFAOYSA-N 0 0 397.527 3.081 20 30 GGEDRN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nn[nH]n2)c1Br ZINC001573329562 947422929 /nfs/dbraw/zinc/42/29/29/947422929.db2.gz KYLGZNSYZFTHLI-SMDDNHRTSA-N 0 0 390.285 3.494 20 30 GGEDRN C=CCCCn1c(C)nnc1N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001573335185 947475003 /nfs/dbraw/zinc/47/50/03/947475003.db2.gz NRCCIYUFJZSCRA-UHFFFAOYSA-N 0 0 376.468 3.027 20 30 GGEDRN C=CCCC[C@@H](NC(=O)COc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC001573335790 947489265 /nfs/dbraw/zinc/48/92/65/947489265.db2.gz UZDUFEBGQMZHSM-GOSISDBHSA-N 0 0 377.448 3.459 20 30 GGEDRN C=CCCCCCCNC(=O)c1cccc(-c2nn[nH]n2)c1Br ZINC001573335905 947491656 /nfs/dbraw/zinc/49/16/56/947491656.db2.gz WWWNXAPAAQMWEW-UHFFFAOYSA-N 0 0 378.274 3.496 20 30 GGEDRN C=CCCc1ccc(S(=O)(=O)Oc2ccc(-c3nn[nH]n3)c(Cl)c2)cc1 ZINC001573341148 947528243 /nfs/dbraw/zinc/52/82/43/947528243.db2.gz IXCDRRAAXWGRGK-UHFFFAOYSA-N 0 0 390.852 3.406 20 30 GGEDRN C=CCN(C)c1nnc(-c2ccc(-c3nn[nH]n3)cc2)n1C[C@@]1(C)CCCS1 ZINC001573341369 947529218 /nfs/dbraw/zinc/52/92/18/947529218.db2.gz MBEXRHHZBPCOAV-LJQANCHMSA-N 0 0 396.524 3.033 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cc(SC)ccc1O ZINC001573341943 947535784 /nfs/dbraw/zinc/53/57/84/947535784.db2.gz RQAXCXPJBSLBHR-UHFFFAOYSA-N 0 0 381.461 3.123 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCc2cc(F)ccc21 ZINC001573341811 947537045 /nfs/dbraw/zinc/53/70/45/947537045.db2.gz QPEHFFYNCPVSOR-IBGZPJMESA-N 0 0 377.423 3.250 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC001573342112 947538010 /nfs/dbraw/zinc/53/80/10/947538010.db2.gz UCDMXQLOIZHZKQ-UHFFFAOYSA-N 0 0 396.382 3.051 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cc1cccc2cnccc21 ZINC001573342279 947538966 /nfs/dbraw/zinc/53/89/66/947538966.db2.gz WFTZQZZEJOPLBI-UHFFFAOYSA-N 0 0 384.443 3.172 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C=C(C)c1ccc(OC)cc1 ZINC001573342412 947540726 /nfs/dbraw/zinc/54/07/26/947540726.db2.gz XPNXGBHOVZCWLH-DTQAZKPQSA-N 0 0 389.459 3.493 20 30 GGEDRN C=CCn1c(Sc2ccnc(-c3nn[nH]n3)c2)nnc1-c1cccc(C)c1 ZINC001573347323 947572795 /nfs/dbraw/zinc/57/27/95/947572795.db2.gz BXMODXJRTRELBL-UHFFFAOYSA-N 0 0 376.449 3.166 20 30 GGEDRN C=CC[S@](=O)(=NC(=O)C1(c2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC001573347715 947577580 /nfs/dbraw/zinc/57/75/80/947577580.db2.gz GXNDGJFNPOELPZ-MUUNZHRXSA-N 0 0 393.472 3.138 20 30 GGEDRN C=CCc1cc(OC)ccc1OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1 ZINC001573348035 947580089 /nfs/dbraw/zinc/58/00/89/947580089.db2.gz LOWQZKPEZVJKEF-ZWKOTPCHSA-N 0 0 376.416 3.313 20 30 GGEDRN C=CCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001573348964 947589394 /nfs/dbraw/zinc/58/93/94/947589394.db2.gz XJDOYMFNSKZYFJ-WMLDXEAASA-N 0 0 376.468 3.080 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@H](C(C)C)C2 ZINC001573350481 947598724 /nfs/dbraw/zinc/59/87/24/947598724.db2.gz CDHYWMOWZQGILH-SCRDCRAPSA-N 0 0 387.509 3.219 20 30 GGEDRN CC#CCN(C)C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(F)c1 ZINC001573358202 947659178 /nfs/dbraw/zinc/65/91/78/947659178.db2.gz HSVWRFVYJCGWOF-UHFFFAOYSA-N 0 0 394.410 3.072 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](Cc1ccccc1)C(=O)[O-] ZINC001602785998 971530489 /nfs/dbraw/zinc/53/04/89/971530489.db2.gz AFHDAHSZQWTYRM-CRAIPNDOSA-N 0 0 397.500 3.162 20 30 GGEDRN CC[C@]1(C(=O)[O-])CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC001589605992 949269344 /nfs/dbraw/zinc/26/93/44/949269344.db2.gz YJAKKKHOEHXVQZ-QRWLVFNGSA-N 0 0 375.444 3.038 20 30 GGEDRN CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc(-c3nn[nH]n3)c(Cl)n2)CC1 ZINC001573824394 949849986 /nfs/dbraw/zinc/84/99/86/949849986.db2.gz DWXVKWLGBFEPLC-UHFFFAOYSA-N 0 0 387.875 3.144 20 30 GGEDRN CC(C)(C)Oc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)c(Cl)n2)cc1C#N ZINC001573876004 950658418 /nfs/dbraw/zinc/65/84/18/950658418.db2.gz BJHRCPVJACKGNH-UHFFFAOYSA-N 0 0 397.826 3.216 20 30 GGEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC001573881849 950761210 /nfs/dbraw/zinc/76/12/10/950761210.db2.gz JBHJGYUYNREPNP-QGZVFWFLSA-N 0 0 378.411 3.298 20 30 GGEDRN C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1cc(C#N)c2ccccc2n1 ZINC001575187688 952444103 /nfs/dbraw/zinc/44/41/03/952444103.db2.gz DWXYPTHVAPVPQS-ZDUSSCGKSA-N 0 0 383.415 3.104 20 30 GGEDRN C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001593700483 954108674 /nfs/dbraw/zinc/10/86/74/954108674.db2.gz WTOBFTJXZGOPOS-UHFFFAOYSA-N 0 0 394.475 3.171 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](C)[C@@H](C(=O)[O-])C3)sc2C1 ZINC001589363897 954174116 /nfs/dbraw/zinc/17/41/16/954174116.db2.gz NKPAEBSDMLAURH-IOASZLSFSA-N 0 0 389.521 3.116 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](C)[C@H](C(=O)[O-])C3)sc2C1 ZINC001589363895 954174827 /nfs/dbraw/zinc/17/48/27/954174827.db2.gz NKPAEBSDMLAURH-DVOMOZLQSA-N 0 0 389.521 3.116 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](C(=O)[O-])[C@H](C)C3)sc2C1 ZINC001589364943 954182685 /nfs/dbraw/zinc/18/26/85/954182685.db2.gz YVFQKFAWVPZAAP-MCIONIFRSA-N 0 0 389.521 3.116 20 30 GGEDRN N#Cc1cc2c(n(Cc3ccc(C(=O)[O-])cc3)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC001594617347 956248032 /nfs/dbraw/zinc/24/80/32/956248032.db2.gz ICSWEBGUQVGLIA-UHFFFAOYSA-N 0 0 399.450 3.025 20 30 GGEDRN N#Cc1ccc(CN2CCC([NH2+][C@@H]3C[C@H](C(=O)[O-])c4ccccc43)CC2)cc1 ZINC001594620939 956280489 /nfs/dbraw/zinc/28/04/89/956280489.db2.gz XCOJWJFGSWJDGW-FCHUYYIVSA-N 0 0 375.472 3.425 20 30 GGEDRN N#Cc1ccccc1CSCC[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001594632159 956350284 /nfs/dbraw/zinc/35/02/84/956350284.db2.gz RXMXJVWRYVVQHV-QGZVFWFLSA-N 0 0 399.516 3.475 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](Cc1ccccc1)C(=O)[O-] ZINC001588542633 958971852 /nfs/dbraw/zinc/97/18/52/958971852.db2.gz AFHDAHSZQWTYRM-YJBOKZPZSA-N 0 0 397.500 3.162 20 30 GGEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c1C#N ZINC001574298435 960711535 /nfs/dbraw/zinc/71/15/35/960711535.db2.gz CKWRWECZAATPBJ-WMLDXEAASA-N 0 0 394.475 3.089 20 30 GGEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c1C#N ZINC001574298433 960712487 /nfs/dbraw/zinc/71/24/87/960712487.db2.gz CKWRWECZAATPBJ-PBHICJAKSA-N 0 0 394.475 3.089 20 30 GGEDRN CC[C@@]1(C(=O)[O-])CCC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC001573822087 960967782 /nfs/dbraw/zinc/96/77/82/960967782.db2.gz CWSFSTNQFOOCST-HXUWFJFHSA-N 0 0 391.899 3.472 20 30 GGEDRN CC[C@]1(C(=O)[O-])CCC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC001573822086 960968250 /nfs/dbraw/zinc/96/82/50/960968250.db2.gz CWSFSTNQFOOCST-FQEVSTJZSA-N 0 0 391.899 3.472 20 30 GGEDRN C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C(C)C ZINC001573368069 963073815 /nfs/dbraw/zinc/07/38/15/963073815.db2.gz HLJAOCAWXLNSPW-INIZCTEOSA-N 0 0 381.423 3.483 20 30 GGEDRN C=CCOC[C@H]([NH2+]CC1(CCC)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001573368986 963088992 /nfs/dbraw/zinc/08/89/92/963088992.db2.gz NIKXBKJKEXVTIS-INIZCTEOSA-N 0 0 384.517 3.049 20 30 GGEDRN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)cn1 ZINC000873646203 969361456 /nfs/dbraw/zinc/36/14/56/969361456.db2.gz YMZOZBDLBMYIPW-GJZGRUSLSA-N 0 0 392.381 3.001 20 30 GGEDRN Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)ccc1Cl ZINC001605187445 972906733 /nfs/dbraw/zinc/90/67/33/972906733.db2.gz XZSTUIPTBLJHKB-OAHLLOKOSA-N 0 0 377.872 3.082 20 30 GGEDRN C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@]3(C)C(=O)[O-])sc2C1 ZINC001603434248 973197526 /nfs/dbraw/zinc/19/75/26/973197526.db2.gz OLUABVSRBWDCMR-BUXKBTBVSA-N 0 0 375.494 3.012 20 30 GGEDRN CC(C)[C@H]1C[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC001591910548 976320062 /nfs/dbraw/zinc/32/00/62/976320062.db2.gz IGJXIGZELMMJGN-MSOLQXFVSA-N 0 0 387.480 3.261 20 30 GGEDRN C[C@H](CCNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)[NH+](C)C ZINC001592521777 978376711 /nfs/dbraw/zinc/37/67/11/978376711.db2.gz RJWDJUDEGGCOKU-MRXNPFEDSA-N 0 0 379.460 3.246 20 30 GGEDRN CCC(CC)(C[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C(=O)[O-] ZINC001595080521 979371502 /nfs/dbraw/zinc/37/15/02/979371502.db2.gz UQDOWXLOBXZXRH-UHFFFAOYSA-N 0 0 379.888 3.376 20 30 GGEDRN C[C@](Cc1ccc(Cl)cc1)([NH2+]CCC(=O)Nc1ccc(C#N)cc1)C(=O)[O-] ZINC001592840480 979607001 /nfs/dbraw/zinc/60/70/01/979607001.db2.gz MIPMTXOJKHFQPB-HXUWFJFHSA-N 0 0 385.851 3.216 20 30 GGEDRN C[C@@](Cc1ccc(Cl)cc1)([NH2+]CCC(=O)Nc1ccc(C#N)cc1)C(=O)[O-] ZINC001592840479 979607137 /nfs/dbraw/zinc/60/71/37/979607137.db2.gz MIPMTXOJKHFQPB-FQEVSTJZSA-N 0 0 385.851 3.216 20 30 GGEDRN C[C@](Cc1ccc(Cl)cc1)([NH2+]CCC(=O)Nc1ccccc1C#N)C(=O)[O-] ZINC001592840776 979609843 /nfs/dbraw/zinc/60/98/43/979609843.db2.gz RUBYCMPSAUXWNC-HXUWFJFHSA-N 0 0 385.851 3.216 20 30 GGEDRN C=C(C)C[C@@H]([NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C)C(=O)[O-] ZINC000864530101 979944982 /nfs/dbraw/zinc/94/49/82/979944982.db2.gz SHDRXMAFGPZFNS-MRXNPFEDSA-N 0 0 378.270 3.452 20 30 GGEDRN N#Cc1ccccc1COc1cccc(C[NH2+][C@@H](C[C@H]2CCCO2)C(=O)[O-])c1 ZINC000904032535 981082655 /nfs/dbraw/zinc/08/26/55/981082655.db2.gz WYGNIGSHMXQQAX-RTWAWAEBSA-N 0 0 380.444 3.249 20 30 GGEDRN C=CC[C@@H](C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1)c1ccccc1 ZINC000911338893 982362029 /nfs/dbraw/zinc/36/20/29/982362029.db2.gz IQHLPQARVMZNFJ-OAQYLSRUSA-N 0 0 393.487 3.192 20 30 GGEDRN C#C[C@H]([NH2+]Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1)C1CCOCC1 ZINC001588377706 983358402 /nfs/dbraw/zinc/35/84/02/983358402.db2.gz PXLQUOHDOIIRQB-SFHVURJKSA-N 0 0 399.443 3.083 20 30 GGEDRN C#CC[N@H+](C)CCCNC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001588463716 983491781 /nfs/dbraw/zinc/49/17/81/983491781.db2.gz IJBGZFPZLZXSQL-UHFFFAOYSA-N 0 0 395.459 3.040 20 30 GGEDRN C#CC[N@H+](Cc1ccsc1C(=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001588471480 983506655 /nfs/dbraw/zinc/50/66/55/983506655.db2.gz QMBZPVBQNGHGPE-UHFFFAOYSA-N 0 0 378.494 3.281 20 30 GGEDRN C#CC[NH+]1CCC(C(=O)Oc2ccc3c(c2)c(C(=O)[O-])c(C)n3C2CC2)CC1 ZINC001588475638 983508929 /nfs/dbraw/zinc/50/89/29/983508929.db2.gz FJRFSCSAIWXUAJ-UHFFFAOYSA-N 0 0 380.444 3.233 20 30 GGEDRN C#CCOc1cccc(Cl)c1C[N@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001588498074 983543464 /nfs/dbraw/zinc/54/34/64/983543464.db2.gz UPXQQEJBGGXMSN-DLBZAZTESA-N 0 0 385.847 3.358 20 30 GGEDRN CC[N@H+](C)[C@@H]1CCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC001596191732 983567259 /nfs/dbraw/zinc/56/72/59/983567259.db2.gz PWDGDQSFHXWPPC-OAQYLSRUSA-N 0 0 391.471 3.343 20 30 GGEDRN C=CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)[C@@H](C)COC ZINC001588824153 984297300 /nfs/dbraw/zinc/29/73/00/984297300.db2.gz VYWSSLYYCJXLLS-OLZOCXBDSA-N 0 0 380.510 3.033 20 30 GGEDRN C=CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)[C@H](C)COC ZINC001588824152 984297415 /nfs/dbraw/zinc/29/74/15/984297415.db2.gz VYWSSLYYCJXLLS-CHWSQXEVSA-N 0 0 380.510 3.033 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001588831731 984316283 /nfs/dbraw/zinc/31/62/83/984316283.db2.gz MHKMGBFIJLPNTA-JTSKRJEESA-N 0 0 398.528 3.380 20 30 GGEDRN C=CCOC[C@H]([NH2+][C@H](C)C[C@H]1CCCCCN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588860498 984413807 /nfs/dbraw/zinc/41/38/07/984413807.db2.gz WHBGMFWVVQMNOQ-ZACQAIPSSA-N 0 0 384.517 3.190 20 30 GGEDRN C=CCOC[C@@H]([NH2+]Cc1cc(F)ccc1Oc1cncc(Cl)c1)C(=O)[O-] ZINC001588866400 984425023 /nfs/dbraw/zinc/42/50/23/984425023.db2.gz OJJPBXAVZCGROP-MRXNPFEDSA-N 0 0 380.803 3.412 20 30 GGEDRN C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[C@@H](C(=O)[O-])[C@H]2C)c1=S ZINC001588889303 984478338 /nfs/dbraw/zinc/47/83/38/984478338.db2.gz PHZCDUFTOPRQJK-IUODEOHRSA-N 0 0 376.457 3.159 20 30 GGEDRN C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1occc1C(=O)[O-] ZINC001588900720 984522256 /nfs/dbraw/zinc/52/22/56/984522256.db2.gz MFGMNQZVDLQNRG-UHFFFAOYSA-N 0 0 376.482 3.076 20 30 GGEDRN CCOC(=O)c1ccc(-c2ccc(C[NH+]3CCC(C#N)(C(=O)[O-])CC3)o2)cc1 ZINC001596714527 984942594 /nfs/dbraw/zinc/94/25/94/984942594.db2.gz QIKOWPMETPBXCT-UHFFFAOYSA-N 0 0 382.416 3.314 20 30 GGEDRN CC(=O)[C@@](C#N)(CC[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001589021879 985014922 /nfs/dbraw/zinc/01/49/22/985014922.db2.gz XVZLWZDBTGVMMU-XPNTWCBSSA-N 0 0 376.456 3.227 20 30 GGEDRN C[C@@H]1CN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C[C@H](C)[N@H+]1C ZINC001599922557 985156478 /nfs/dbraw/zinc/15/64/78/985156478.db2.gz VJMGNQOOHOJFEZ-CALCHBBNSA-N 0 0 391.471 3.341 20 30 GGEDRN CCO[C@@H]1C[C@]([NH2+]Cc2ccc(Br)cc2C#N)(C(=O)[O-])C1(C)C ZINC001596838939 985512953 /nfs/dbraw/zinc/51/29/53/985512953.db2.gz QMSSEEKGXPANRM-PBHICJAKSA-N 0 0 381.270 3.069 20 30 GGEDRN CCO[C@@H]1C[C@@]([NH2+]Cc2ccc(Br)cc2C#N)(C(=O)[O-])C1(C)C ZINC001596838940 985513402 /nfs/dbraw/zinc/51/34/02/985513402.db2.gz QMSSEEKGXPANRM-RHSMWYFYSA-N 0 0 381.270 3.069 20 30 GGEDRN CCOCCC[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H](C)C(=O)[O-] ZINC001596914549 985927791 /nfs/dbraw/zinc/92/77/91/985927791.db2.gz ABQBCOCCQHGLEN-CYBMUJFWSA-N 0 0 383.286 3.270 20 30 GGEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](CC(=O)[O-])C(C)(C)C)c1C#N ZINC001599972920 986038804 /nfs/dbraw/zinc/03/88/04/986038804.db2.gz CCONTNLVQRCGMX-GOSISDBHSA-N 0 0 396.491 3.383 20 30 GGEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c1C#N ZINC001599973240 986044968 /nfs/dbraw/zinc/04/49/68/986044968.db2.gz MYZDRWSTPPWXGD-ZSEKCTLFSA-N 0 0 386.496 3.073 20 30 GGEDRN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+]C2(CC(=O)[O-])CCC2)c1C#N ZINC001599973432 986046867 /nfs/dbraw/zinc/04/68/67/986046867.db2.gz STMALNWZGOPKMF-UHFFFAOYSA-N 0 0 398.438 3.030 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC001589331471 986186606 /nfs/dbraw/zinc/18/66/06/986186606.db2.gz FPTYEUKNMXKVSJ-KGLIPLIRSA-N 0 0 375.494 3.062 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC001589331533 986187257 /nfs/dbraw/zinc/18/72/57/986187257.db2.gz HNUCHCBDLJWHLH-MMMWYMCRSA-N 0 0 387.505 3.062 20 30 GGEDRN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001594570766 986397405 /nfs/dbraw/zinc/39/74/05/986397405.db2.gz UUMNTJOFDVBWFA-KRWDZBQOSA-N 0 0 379.460 3.236 20 30 GGEDRN CC(C)(C)OC(=O)[C@H]1C[N@H+](CC2CCC(C#N)CC2)CC12CC(C(=O)[O-])C2 ZINC001589865667 988459441 /nfs/dbraw/zinc/45/94/41/988459441.db2.gz DWOIIXOKIGLGRT-JRQWYPPZSA-N 0 0 376.497 3.071 20 30 GGEDRN CC(C)(C)OC(=O)N1CC=C(CC[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC001589963272 988775519 /nfs/dbraw/zinc/77/55/19/988775519.db2.gz FLHPRQCCWFUIHH-SFHVURJKSA-N 0 0 385.464 3.231 20 30 GGEDRN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C(=O)[O-])c2C#N)C12CCC2 ZINC001589985076 988877649 /nfs/dbraw/zinc/87/76/49/988877649.db2.gz KWRPEMHRLBSIIL-QGZVFWFLSA-N 0 0 385.464 3.278 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001589996389 988919353 /nfs/dbraw/zinc/91/93/53/988919353.db2.gz ZSBRMGQISBLJAS-DLBZAZTESA-N 0 0 385.464 3.063 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC[N@H+](CCC2(C#N)CCCCC2)[C@@H](C(=O)[O-])C1 ZINC001590034619 989047991 /nfs/dbraw/zinc/04/79/91/989047991.db2.gz HSVGUMGTCGSNLF-MRXNPFEDSA-N 0 0 379.501 3.247 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C(=O)[O-])C1 ZINC001590034757 989050765 /nfs/dbraw/zinc/05/07/65/989050765.db2.gz LSQGBBHFBPSZQG-GOSISDBHSA-N 0 0 399.491 3.138 20 30 GGEDRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001590138603 989394465 /nfs/dbraw/zinc/39/44/65/989394465.db2.gz GXSSCJFOWRAQDI-XOYOTBSWSA-N 0 0 385.464 3.062 20 30 GGEDRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+]([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001590215493 989584782 /nfs/dbraw/zinc/58/47/82/989584782.db2.gz GZIMZJMAJTYZKR-SPEDKVCISA-N 0 0 399.491 3.311 20 30 GGEDRN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[N@H+](CC3CCC(C#N)CC3)C[C@]2(C(=O)[O-])C1 ZINC001590290624 989705827 /nfs/dbraw/zinc/70/58/27/989705827.db2.gz DWTVAYJKMISVOI-BVWODDALSA-N 0 0 391.512 3.006 20 30 GGEDRN COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001599715799 991451936 /nfs/dbraw/zinc/45/19/36/991451936.db2.gz VOMLXNVXKQYIEG-YLJYHZDGSA-N 0 0 393.443 3.043 20 30 GGEDRN CC(C)C[N@H+](CCC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001591331485 992304904 /nfs/dbraw/zinc/30/49/04/992304904.db2.gz MQDKNJQQOFGRQW-UHFFFAOYSA-N 0 0 377.510 3.260 20 30 GGEDRN CC(C)[NH+]1CCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC1 ZINC001591630268 992933596 /nfs/dbraw/zinc/93/35/96/992933596.db2.gz UEWFNZLXSKOZHB-UHFFFAOYSA-N 0 0 391.471 3.343 20 30 GGEDRN CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001598547028 992957341 /nfs/dbraw/zinc/95/73/41/992957341.db2.gz OLMUSFOXKSDFKA-NXIIHZOPSA-N 0 0 396.409 3.206 20 30 GGEDRN C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001598602747 993586862 /nfs/dbraw/zinc/58/68/62/993586862.db2.gz NMYDMBIWMZYUBC-HXUWFJFHSA-N 0 0 377.444 3.000 20 30 GGEDRN C[C@H]([NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001593188880 994105530 /nfs/dbraw/zinc/10/55/30/994105530.db2.gz BWIYZSHBEZICKS-QKKBWIMNSA-N 0 0 397.450 3.135 20 30 GGEDRN C[C@H]([NH2+][C@H](CC(=O)[O-])C1CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001593204136 994196637 /nfs/dbraw/zinc/19/66/37/994196637.db2.gz MOBILKBUUFQXBB-XHDPSFHLSA-N 0 0 375.494 3.059 20 30 GGEDRN C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1cc(C(=O)[O-])ccc1O ZINC001593217556 994273441 /nfs/dbraw/zinc/27/34/41/994273441.db2.gz AGNLIDRFPBJCNL-OAHLLOKOSA-N 0 0 379.460 3.277 20 30 GGEDRN C[C@H]([NH2+][C@@H]1CCCN(CCC(=O)[O-])C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001593222051 994330114 /nfs/dbraw/zinc/33/01/14/994330114.db2.gz GHTBZVUKJIUDQW-HRAATJIYSA-N 0 0 391.471 3.342 20 30 GGEDRN C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593237886 994415542 /nfs/dbraw/zinc/41/55/42/994415542.db2.gz UMKICQUSGSBVBQ-DYVFJYSZSA-N 0 0 385.851 3.072 20 30 GGEDRN C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593237882 994416177 /nfs/dbraw/zinc/41/61/77/994416177.db2.gz UMKICQUSGSBVBQ-CXAGYDPISA-N 0 0 385.851 3.072 20 30 GGEDRN C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)c1ccc(C#N)cc1 ZINC001593240407 994429743 /nfs/dbraw/zinc/42/97/43/994429743.db2.gz OHZAKPIPDSNDDF-LBPRGKRZSA-N 0 0 383.473 3.486 20 30 GGEDRN COc1cccc([C@H](O)C2CC[NH+]([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC001599658935 994626446 /nfs/dbraw/zinc/62/64/46/994626446.db2.gz IAJFNRNXKVUXDU-LEWJYISDSA-N 0 0 380.444 3.138 20 30 GGEDRN COc1cccc([C@@H]2[C@H]([NH2+]Cc3cccc(C(=O)[O-])c3C#N)CCN2C2CC2)c1 ZINC001599667413 994753014 /nfs/dbraw/zinc/75/30/14/994753014.db2.gz NOZWSDRTHHBBKV-FGZHOGPDSA-N 0 0 391.471 3.333 20 30 GGEDRN C[C@@H](Oc1ccc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1)C(=O)[O-] ZINC001593617971 995856495 /nfs/dbraw/zinc/85/64/95/995856495.db2.gz RRVXHCUNDFFADI-QGZVFWFLSA-N 0 0 393.487 3.164 20 30 GGEDRN COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C(=O)[O-])C1 ZINC001598801148 996139591 /nfs/dbraw/zinc/13/95/91/996139591.db2.gz QSIWZZGUGXVAMH-PXNSSMCTSA-N 0 0 378.428 3.063 20 30 GGEDRN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C(=O)[O-])C1 ZINC001598801153 996139633 /nfs/dbraw/zinc/13/96/33/996139633.db2.gz QSIWZZGUGXVAMH-YLJYHZDGSA-N 0 0 378.428 3.063 20 30 GGEDRN COC[C@H]([NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC001599174708 996820206 /nfs/dbraw/zinc/82/02/06/996820206.db2.gz XXUVPDUBUVICED-DLBZAZTESA-N 0 0 389.249 3.424 20 30 GGEDRN CO[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@@](C)(C(=O)[O-])C1 ZINC001599130721 997938078 /nfs/dbraw/zinc/93/80/78/997938078.db2.gz LISYEYUTUNCOLL-RBBKRZOGSA-N 0 0 378.472 3.450 20 30 GGEDRN COc1cc(C#N)ccc1OCC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001599350374 998082417 /nfs/dbraw/zinc/08/24/17/998082417.db2.gz NZPIMMLZRORQQW-QRQCRPRQSA-N 0 0 380.444 3.413 20 30 GGEDRN COC(=O)c1ccc2c(c1)[C@@H](C[NH2+][C@@H](C(=O)[O-])c1cccc(C#N)c1)CCC2 ZINC001598989545 998723637 /nfs/dbraw/zinc/72/36/37/998723637.db2.gz CLQNDFMLYARKFN-UYAOXDASSA-N 0 0 378.428 3.180 20 30 GGEDRN COC(=O)c1cccc([C@@H](C(=O)[O-])[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001598995221 998773036 /nfs/dbraw/zinc/77/30/36/998773036.db2.gz GPIBOGRXUJAVCV-FQEVSTJZSA-N 0 0 378.428 3.350 20 30 GGEDRN C[C@@H]1C[C@H]1c1noc(CC2CC[NH+]([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)n1 ZINC001594287658 999113168 /nfs/dbraw/zinc/11/31/68/999113168.db2.gz YLISCGHKEKDILJ-XVSDVWIESA-N 0 0 380.448 3.145 20 30 GGEDRN C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+]([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)n1 ZINC001594287652 999113214 /nfs/dbraw/zinc/11/32/14/999113214.db2.gz YLISCGHKEKDILJ-FMEYXAORSA-N 0 0 380.448 3.145 20 30 GGEDRN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001594292509 999128163 /nfs/dbraw/zinc/12/81/63/999128163.db2.gz QIHSAOSOAAOCSC-OKCGCYJWSA-N 0 0 397.519 3.106 20 30 GGEDRN C=C(C)COc1cc(C[NH2+][C@@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])ccc1OC ZINC000277187287 1126078458 /nfs/dbraw/zinc/07/84/58/1126078458.db2.gz FRHSWDFHYZPCFZ-KRWDZBQOSA-N 0 0 399.443 3.164 20 30 GGEDRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000426745529 1126086270 /nfs/dbraw/zinc/08/62/70/1126086270.db2.gz HDCUGAFQNZKITD-NSHDSACASA-N 0 0 399.266 3.303 20 30 GGEDRN COc1cc(C#N)ccc1C[NH2+][C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001607065337 1126232385 /nfs/dbraw/zinc/23/23/85/1126232385.db2.gz NHSOKZLMKMHEPV-MRXNPFEDSA-N 0 0 394.349 3.251 20 30 GGEDRN C[C@@H]1CCCC[C@@H]1NC(=S)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000013056652 230883344 /nfs/dbraw/zinc/88/33/44/230883344.db2.gz HLTJXQFBTZVWLO-CJNGLKHVSA-N 0 0 394.566 3.022 20 30 GGEDRN CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2cnn(Cc3ccccc3)c2)cc1 ZINC000009762267 230872638 /nfs/dbraw/zinc/87/26/38/230872638.db2.gz ARVMJNDVGYJNJV-MDWZMJQESA-N 0 0 395.484 3.078 20 30 GGEDRN N#CCCN(Cc1cccnc1)S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000043584701 230932020 /nfs/dbraw/zinc/93/20/20/230932020.db2.gz PTZKUHAHSIWMOD-UHFFFAOYSA-N 0 0 385.367 3.085 20 30 GGEDRN CNC(=O)c1ccc(CN(C)c2nc3c(c(C#N)c2C#N)CCCCCC3)cc1 ZINC000225455017 231034747 /nfs/dbraw/zinc/03/47/47/231034747.db2.gz ZARPFBUVJJAVHY-UHFFFAOYSA-N 0 0 387.487 3.480 20 30 GGEDRN N#Cc1ccnc(NCc2cc(Br)c3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000471056349 532540609 /nfs/dbraw/zinc/54/06/09/532540609.db2.gz OPQLDHGFABEEQC-UHFFFAOYSA-N 0 0 391.181 3.007 20 30 GGEDRN C=CCn1c(SCC(=O)NCc2ccccc2F)nnc1-c1ccncc1 ZINC000008471180 209133497 /nfs/dbraw/zinc/13/34/97/209133497.db2.gz NVFYTGFHPLHMQM-UHFFFAOYSA-N 0 0 383.452 3.074 20 30 GGEDRN N#Cc1c2c(sc1NC(=O)CCn1nnc(-c3ccccc3)n1)CCCC2 ZINC000007912235 209131610 /nfs/dbraw/zinc/13/16/10/209131610.db2.gz ZMUKDVKKSMFSKG-UHFFFAOYSA-N 0 0 378.461 3.181 20 30 GGEDRN COc1ccccc1Cn1c2nnc(S[C@@H](C)C#N)n2c2ccccc2c1=O ZINC000006320195 209126110 /nfs/dbraw/zinc/12/61/10/209126110.db2.gz ADDYVHHHSIZWMG-ZDUSSCGKSA-N 0 0 391.456 3.105 20 30 GGEDRN 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/nfs/dbraw/zinc/29/97/60/564299760.db2.gz HQMHXBAKDGQEMM-UHFFFAOYSA-N 0 0 392.278 3.461 20 30 GGEDRN C=CCN(CC(=O)NC(=O)NCc1ccccc1)Cc1ccc(Cl)s1 ZINC000018939417 564302172 /nfs/dbraw/zinc/30/21/72/564302172.db2.gz CJTWCQLJOHRICE-UHFFFAOYSA-N 0 0 377.897 3.416 20 30 GGEDRN N#CC1(NC(=O)COc2cccc(I)c2)CCCCC1 ZINC000021105684 564308820 /nfs/dbraw/zinc/30/88/20/564308820.db2.gz FCADCOZVVMFTGL-UHFFFAOYSA-N 0 0 384.217 3.013 20 30 GGEDRN C=CCN(C(=O)Nc1cccc(-c2nccs2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000120193845 564309159 /nfs/dbraw/zinc/30/91/59/564309159.db2.gz CHJMSNGHVHGOKX-OAHLLOKOSA-N 0 0 377.491 3.017 20 30 GGEDRN C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000120186937 564309206 /nfs/dbraw/zinc/30/92/06/564309206.db2.gz FHNCTKNLWJUVKJ-GFCCVEGCSA-N 0 0 386.249 3.007 20 30 GGEDRN CN(C)S(=O)(=O)c1cccc(CSCCOc2ccc(C#N)cc2)c1 ZINC000021275699 564310186 /nfs/dbraw/zinc/31/01/86/564310186.db2.gz NVABQCJMBIXKFR-UHFFFAOYSA-N 0 0 376.503 3.121 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2Cl)c1 ZINC000021911347 564313049 /nfs/dbraw/zinc/31/30/49/564313049.db2.gz ADKCXOCIYNGAEZ-CYBMUJFWSA-N 0 0 378.881 3.295 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)Cn1c2ccccc2n(C)c1=O ZINC000021896670 564313181 /nfs/dbraw/zinc/31/31/81/564313181.db2.gz ZBAHMNIRWAWDGG-UHFFFAOYSA-N 0 0 375.881 3.270 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc(CNc2nc(C)cc(C)c2C#N)s1 ZINC000022090037 564314237 /nfs/dbraw/zinc/31/42/37/564314237.db2.gz BTFXXHKXMQRTID-UHFFFAOYSA-N 0 0 378.523 3.274 20 30 GGEDRN CN(Cc1ccc(F)cc1Br)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000022185909 564314936 /nfs/dbraw/zinc/31/49/36/564314936.db2.gz GRINREKICGZVFQ-UHFFFAOYSA-N 0 0 397.269 3.422 20 30 GGEDRN C[C@H]1CN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)C[C@H](C)O1 ZINC000022300552 564315990 /nfs/dbraw/zinc/31/59/90/564315990.db2.gz ZPESKBMYACXZIG-UWVGGRQHSA-N 0 0 382.467 3.358 20 30 GGEDRN C[C@@H]1CN(Cc2csc(NC(=O)c3cc(Br)c[nH]3)n2)C[C@@H](C)O1 ZINC000022302808 564316104 /nfs/dbraw/zinc/31/61/04/564316104.db2.gz KDAZQUVCAPDINF-NXEZZACHSA-N 0 0 399.314 3.479 20 30 GGEDRN C[C@H]1CN(Cc2csc(NC(=O)c3cc(Br)c[nH]3)n2)C[C@H](C)O1 ZINC000022302811 564316168 /nfs/dbraw/zinc/31/61/68/564316168.db2.gz KDAZQUVCAPDINF-UWVGGRQHSA-N 0 0 399.314 3.479 20 30 GGEDRN C=CCNc1nnc(S[C@H](C)C(=O)NCCOc2cccc(C)c2)s1 ZINC000022346986 564316658 /nfs/dbraw/zinc/31/66/58/564316658.db2.gz IAQMRXHJGSACII-CYBMUJFWSA-N 0 0 378.523 3.120 20 30 GGEDRN COc1ccc(Br)cc1CN(C)S(=O)(=O)c1ccccc1C#N ZINC000022458610 564317126 /nfs/dbraw/zinc/31/71/26/564317126.db2.gz ZXCVPBFQSJXFSS-UHFFFAOYSA-N 0 0 395.278 3.150 20 30 GGEDRN Cc1nc(C)c(C#N)c(SCC(=O)Nc2ccccc2Br)n1 ZINC000022524510 564317580 /nfs/dbraw/zinc/31/75/80/564317580.db2.gz RKGCPFJFCZXVIS-UHFFFAOYSA-N 0 0 377.267 3.458 20 30 GGEDRN C=CCOc1ccccc1CNC(=O)c1cncc(I)c1 ZINC000120377241 564317958 /nfs/dbraw/zinc/31/79/58/564317958.db2.gz HRRXWBPQOGSBOW-UHFFFAOYSA-N 0 0 394.212 3.181 20 30 GGEDRN N#C[C@H](NC(=O)c1ccnc(-n2cccn2)c1)c1cccc(Br)c1 ZINC000120440764 564319667 /nfs/dbraw/zinc/31/96/67/564319667.db2.gz CEBBLGHWEDGFAL-HNNXBMFYSA-N 0 0 382.221 3.024 20 30 GGEDRN COc1c(Br)cc(Cl)cc1NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000022812946 564320439 /nfs/dbraw/zinc/32/04/39/564320439.db2.gz YAFYAIJUIPKHCB-HNNXBMFYSA-N 0 0 386.677 3.331 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)Cc1cccc(I)c1 ZINC000120452576 564320887 /nfs/dbraw/zinc/32/08/87/564320887.db2.gz XSWFNTGVBJPGCC-UHFFFAOYSA-N 0 0 390.224 3.364 20 30 GGEDRN C=C(C)CN(CC)S(=O)(=O)c1cc(OC)c(OC)cc1Br ZINC000023330530 564323471 /nfs/dbraw/zinc/32/34/71/564323471.db2.gz KGZBZZRGJWWLHB-UHFFFAOYSA-N 0 0 378.288 3.053 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000023739151 564326173 /nfs/dbraw/zinc/32/61/73/564326173.db2.gz SIEYFIBERBBSRK-UHFFFAOYSA-N 0 0 398.937 3.285 20 30 GGEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)CSc1cc(Cl)ccc1Cl ZINC000120569728 564326896 /nfs/dbraw/zinc/32/68/96/564326896.db2.gz GNTAXTYLVKSICO-UHFFFAOYSA-N 0 0 398.319 3.354 20 30 GGEDRN C=CCN(CC(=O)Nc1cccc(SC)c1)S(=O)(=O)c1cccs1 ZINC000023985709 564327185 /nfs/dbraw/zinc/32/71/85/564327185.db2.gz VTCUUWDPJANQIV-UHFFFAOYSA-N 0 0 382.532 3.285 20 30 GGEDRN C=CCN(C(=O)Nc1cc(C(F)(F)F)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000120784942 564336906 /nfs/dbraw/zinc/33/69/06/564336906.db2.gz JJNLUMCXZIJVPP-ZDUSSCGKSA-N 0 0 376.400 3.221 20 30 GGEDRN C=CCN(C(=O)Nc1cc(C(F)(F)F)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000120784773 564337149 /nfs/dbraw/zinc/33/71/49/564337149.db2.gz JJNLUMCXZIJVPP-CYBMUJFWSA-N 0 0 376.400 3.221 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)NCc2coc(-c3cccs3)n2)c1 ZINC000120804709 564338272 /nfs/dbraw/zinc/33/82/72/564338272.db2.gz VGFFGATVPQTEHT-UHFFFAOYSA-N 0 0 377.422 3.033 20 30 GGEDRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000120842642 564340276 /nfs/dbraw/zinc/34/02/76/564340276.db2.gz VTZCYVKOIQGSGZ-LLVKDONJSA-N 0 0 377.901 3.089 20 30 GGEDRN C=CCNC(=O)NC(=O)[C@H](C)Sc1nnc(Nc2cccc(C)c2)s1 ZINC000025640361 564340571 /nfs/dbraw/zinc/34/05/71/564340571.db2.gz CSVZWTCWWZFGQC-NSHDSACASA-N 0 0 377.495 3.083 20 30 GGEDRN C=CCn1c(=S)sc2c1ncn(Cc1nc(-c3ccsc3)no1)c2=O ZINC000025822243 564341865 /nfs/dbraw/zinc/34/18/65/564341865.db2.gz DSFOYHKTHGWVQR-UHFFFAOYSA-N 0 0 389.487 3.335 20 30 GGEDRN C=CCN(CC=C)C(=O)[C@H](C)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000026333548 564345518 /nfs/dbraw/zinc/34/55/18/564345518.db2.gz KYNRRIMQKYWRHH-ZDUSSCGKSA-N 0 0 384.307 3.453 20 30 GGEDRN C=CCNc1nnc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000026354486 564345888 /nfs/dbraw/zinc/34/58/88/564345888.db2.gz XQENCNJPODYTHX-UHFFFAOYSA-N 0 0 379.467 3.474 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)c1Br ZINC000120960190 564346221 /nfs/dbraw/zinc/34/62/21/564346221.db2.gz RCYXDWXCSQICFL-UHFFFAOYSA-N 0 0 386.249 3.226 20 30 GGEDRN C=CCn1c(SCC)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000120974182 564346247 /nfs/dbraw/zinc/34/62/47/564346247.db2.gz ABLNTSBJEQBKOO-UHFFFAOYSA-N 0 0 380.539 3.274 20 30 GGEDRN C[C@](C#N)(NC(=O)CN(Cc1cccc(Br)c1)C1CC1)C1CC1 ZINC000026446505 564346453 /nfs/dbraw/zinc/34/64/53/564346453.db2.gz DIJBLDBFWSEIDK-GOSISDBHSA-N 0 0 376.298 3.222 20 30 GGEDRN Cc1cnc(CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)o1 ZINC000120985464 564347124 /nfs/dbraw/zinc/34/71/24/564347124.db2.gz SEAWXEVCEYSMKD-INIZCTEOSA-N 0 0 375.270 3.128 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1F ZINC000121014697 564348132 /nfs/dbraw/zinc/34/81/32/564348132.db2.gz DENKUUSFVCAVGV-CQSZACIVSA-N 0 0 378.157 3.491 20 30 GGEDRN N#Cc1cccc(NC(=O)CNc2cccc(I)c2)c1 ZINC000026782187 564349833 /nfs/dbraw/zinc/34/98/33/564349833.db2.gz NPLAERMAKHVQAT-UHFFFAOYSA-N 0 0 377.185 3.213 20 30 GGEDRN C=CCN(C(=O)[C@H]1C[C@@H]1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000121060637 564351104 /nfs/dbraw/zinc/35/11/04/564351104.db2.gz FMFJHHPZSCJXMZ-WFASDCNBSA-N 0 0 376.503 3.389 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000121128911 564354962 /nfs/dbraw/zinc/35/49/62/564354962.db2.gz VEEJGEWMXUFKHD-UHFFFAOYSA-N 0 0 390.212 3.057 20 30 GGEDRN Cc1cc(Br)ccc1NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000121137443 564355183 /nfs/dbraw/zinc/35/51/83/564355183.db2.gz NBIBCJVWBONPAZ-UHFFFAOYSA-N 0 0 386.249 3.226 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1Cl ZINC000121175466 564356759 /nfs/dbraw/zinc/35/67/59/564356759.db2.gz IIZXZCIRSIYTHS-UHFFFAOYSA-N 0 0 375.837 3.361 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000121228710 564359852 /nfs/dbraw/zinc/35/98/52/564359852.db2.gz BVHYJNRPGKKVAL-UHFFFAOYSA-N 0 0 382.221 3.462 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000028244468 564361677 /nfs/dbraw/zinc/36/16/77/564361677.db2.gz BNEUIKIDFFCRNL-UHFFFAOYSA-N 0 0 377.853 3.378 20 30 GGEDRN CN(C)S(=O)(=O)c1ccc(CSCCOc2ccccc2C#N)cc1 ZINC000121277838 564362163 /nfs/dbraw/zinc/36/21/63/564362163.db2.gz HRTYVJPBDRGPFI-UHFFFAOYSA-N 0 0 376.503 3.121 20 30 GGEDRN Cn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nc2sccc2c1=O ZINC000028628945 564363512 /nfs/dbraw/zinc/36/35/12/564363512.db2.gz UFBFGYUBFIHDET-UHFFFAOYSA-N 0 0 390.877 3.251 20 30 GGEDRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N(CCC#N)CCC#N ZINC000121367150 564365768 /nfs/dbraw/zinc/36/57/68/564365768.db2.gz IACARQRPWRUKBA-UHFFFAOYSA-N 0 0 386.253 3.213 20 30 GGEDRN C=CCNC(=O)[C@H](C)Sc1nnc(Nc2cccc(NC(C)=O)c2)s1 ZINC000028968790 564365913 /nfs/dbraw/zinc/36/59/13/564365913.db2.gz KHUQRMGTTQAVIJ-JTQLQIEISA-N 0 0 377.495 3.023 20 30 GGEDRN C=CCN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000121381814 564366922 /nfs/dbraw/zinc/36/69/22/564366922.db2.gz QJAJIXSJDBYJDJ-UHFFFAOYSA-N 0 0 377.447 3.390 20 30 GGEDRN COC(=O)c1ccc(OCC(=O)Nc2ccc(C#N)cc2)c(Br)c1 ZINC000029347735 564370305 /nfs/dbraw/zinc/37/03/05/564370305.db2.gz QMFJAMAISFZJMG-UHFFFAOYSA-N 0 0 389.205 3.125 20 30 GGEDRN C=CCOCCCC(=O)Nc1cc(S(=O)(=O)C(F)F)ccc1NCC ZINC000121484747 564371921 /nfs/dbraw/zinc/37/19/21/564371921.db2.gz VXSZRPZVYVUTST-UHFFFAOYSA-N 0 0 376.425 3.036 20 30 GGEDRN COc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1I ZINC000121506717 564372111 /nfs/dbraw/zinc/37/21/11/564372111.db2.gz FIBBPYCMPNNZJF-NSHDSACASA-N 0 0 378.169 3.185 20 30 GGEDRN COc1ccc(C#N)cc1CSCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121534727 564372449 /nfs/dbraw/zinc/37/24/49/564372449.db2.gz BAVIXMHUYGZVME-UHFFFAOYSA-N 0 0 376.503 3.251 20 30 GGEDRN N#Cc1ccc(NC(=O)CSc2nnnn2Cc2cccs2)cc1Cl ZINC000029744145 564373024 /nfs/dbraw/zinc/37/30/24/564373024.db2.gz MUEYCTIRZDNLAX-UHFFFAOYSA-N 0 0 390.881 3.039 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)c1cc(I)c(F)cc1F ZINC000121604249 564377902 /nfs/dbraw/zinc/37/79/02/564377902.db2.gz UQYWHBVFWIGDJN-QMMMGPOBSA-N 0 0 378.160 3.191 20 30 GGEDRN COc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccc(C#N)cc1 ZINC000030522868 564382332 /nfs/dbraw/zinc/38/23/32/564382332.db2.gz DZLDGOAIBBGNGP-UHFFFAOYSA-N 0 0 395.278 3.150 20 30 GGEDRN CN(CC(=O)Nc1ccccc1Br)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000030683063 564382984 /nfs/dbraw/zinc/38/29/84/564382984.db2.gz XDMKASKBFMVLGY-UHFFFAOYSA-N 0 0 389.209 3.304 20 30 GGEDRN N#Cc1ccnc(N2CCN(C(=O)c3cc(F)c(Cl)cc3Cl)CC2)c1 ZINC000030940802 564385063 /nfs/dbraw/zinc/38/50/63/564385063.db2.gz PFLKVIXPWXGVBG-UHFFFAOYSA-N 0 0 379.222 3.362 20 30 GGEDRN Cc1nc(CN2CCN(c3ccc(Br)cc3C#N)CC2)cs1 ZINC000121831642 564388369 /nfs/dbraw/zinc/38/83/69/564388369.db2.gz JNMAIBFADLIGAW-UHFFFAOYSA-N 0 0 377.311 3.408 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000031403134 564388992 /nfs/dbraw/zinc/38/89/92/564388992.db2.gz YNUNHSOSSUKGKR-UHFFFAOYSA-N 0 0 388.240 3.422 20 30 GGEDRN COc1ccc(OC)c([C@@H](O)CNc2ccc(Br)cc2C#N)c1 ZINC000121859163 564390252 /nfs/dbraw/zinc/39/02/52/564390252.db2.gz RPVISRCSQNNLSQ-INIZCTEOSA-N 0 0 377.238 3.483 20 30 GGEDRN CN(C(=O)COc1ccccc1I)C1(C#N)CCCCC1 ZINC000031656704 564390608 /nfs/dbraw/zinc/39/06/08/564390608.db2.gz ONFCCBWDOUQZKV-UHFFFAOYSA-N 0 0 398.244 3.355 20 30 GGEDRN C=CCn1c(SCC(=O)N2CCC2)nnc1-c1ccc(Br)cc1 ZINC000031707483 564391102 /nfs/dbraw/zinc/39/11/02/564391102.db2.gz DMWVXMFGSLNIMK-UHFFFAOYSA-N 0 0 393.310 3.218 20 30 GGEDRN N#Cc1cccc(NC(=O)C[S@](=O)Cc2ccc(F)c(Br)c2)c1 ZINC000121883142 564391286 /nfs/dbraw/zinc/39/12/86/564391286.db2.gz IHGYDTHIRADIBS-QHCPKHFHSA-N 0 0 395.253 3.347 20 30 GGEDRN N#Cc1ccc(CN2CCN(C(=O)c3csc(Br)c3)CC2)cc1 ZINC000032079922 564395949 /nfs/dbraw/zinc/39/59/49/564395949.db2.gz XQLAVSRDDUOCMD-UHFFFAOYSA-N 0 0 390.306 3.340 20 30 GGEDRN COc1ccc(OC)c2c1CN(c1ccc(C#N)cc1Br)C[C@H]2O ZINC000122065176 564399178 /nfs/dbraw/zinc/39/91/78/564399178.db2.gz IGIFQZHOGZYSLN-OAHLLOKOSA-N 0 0 389.249 3.392 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(Cl)s2)c1 ZINC000032502630 564401802 /nfs/dbraw/zinc/40/18/02/564401802.db2.gz RDRJOKROKOEXOS-UHFFFAOYSA-N 0 0 384.910 3.138 20 30 GGEDRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@H](C#N)C(C)(C)C ZINC000122172390 564403596 /nfs/dbraw/zinc/40/35/96/564403596.db2.gz SOAXNYVYPGQRME-XJKSGUPXSA-N 0 0 382.551 3.405 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(I)cc1 ZINC000032615116 564403482 /nfs/dbraw/zinc/40/34/82/564403482.db2.gz QYLLJCUAFUPUFO-UHFFFAOYSA-N 0 0 376.197 3.435 20 30 GGEDRN O=C(CS(=O)(=O)CCCc1ccccc1)Nc1nnc(C(F)(F)F)s1 ZINC000032638117 564403496 /nfs/dbraw/zinc/40/34/96/564403496.db2.gz VLWBJBHNUIKMSS-UHFFFAOYSA-N 0 0 393.412 3.193 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCSc3ncccc32)cc1C(F)(F)F ZINC000122199358 564404262 /nfs/dbraw/zinc/40/42/62/564404262.db2.gz AFRWGLQXJXUBKR-UHFFFAOYSA-N 0 0 385.392 3.273 20 30 GGEDRN N#CCSCC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000032648021 564404383 /nfs/dbraw/zinc/40/43/83/564404383.db2.gz DODNUXBDGRPQOO-UHFFFAOYSA-N 0 0 395.893 3.336 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000122225723 564405017 /nfs/dbraw/zinc/40/50/17/564405017.db2.gz QCVOPROJSKQUQR-KRWDZBQOSA-N 0 0 385.917 3.085 20 30 GGEDRN Cc1nc(C)c(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)s1 ZINC000122268734 564406617 /nfs/dbraw/zinc/40/66/17/564406617.db2.gz YQANOEWPQZCNII-UHFFFAOYSA-N 0 0 375.397 3.129 20 30 GGEDRN COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H](C#N)C(C)(C)C ZINC000122293676 564407682 /nfs/dbraw/zinc/40/76/82/564407682.db2.gz KNLVRFSBLUWEMN-OAHLLOKOSA-N 0 0 381.270 3.475 20 30 GGEDRN CN1CCCN(S(=O)(=O)c2ccc(F)cc2C#N)c2cc(Cl)ccc21 ZINC000122292465 564407716 /nfs/dbraw/zinc/40/77/16/564407716.db2.gz LPLRRZIFAQFNQV-UHFFFAOYSA-N 0 0 379.844 3.386 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000122308053 564408525 /nfs/dbraw/zinc/40/85/25/564408525.db2.gz UBBISLOJEBAKKF-MRXNPFEDSA-N 0 0 385.961 3.456 20 30 GGEDRN CC(C)(C)[C@H](C#N)NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000122355690 564410873 /nfs/dbraw/zinc/41/08/73/564410873.db2.gz FJYVKXQHXSAYJQ-ZDUSSCGKSA-N 0 0 381.274 3.015 20 30 GGEDRN CC(C)(C)[C@H](C#N)NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000122422153 564413226 /nfs/dbraw/zinc/41/32/26/564413226.db2.gz ODACJPMLKJNOIH-FPTDNZKUSA-N 0 0 385.327 3.391 20 30 GGEDRN CC(C)(C)[C@H](C#N)NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000122429174 564413681 /nfs/dbraw/zinc/41/36/81/564413681.db2.gz MMRIIOAPFSUPAM-ZDUSSCGKSA-N 0 0 379.233 3.442 20 30 GGEDRN C=CCn1c(SCC(=O)Nc2nc(C)cs2)nc2sccc2c1=O ZINC000036743966 564418574 /nfs/dbraw/zinc/41/85/74/564418574.db2.gz ILXLKKWLDNZOHJ-UHFFFAOYSA-N 0 0 378.504 3.140 20 30 GGEDRN C=CCn1c(SCC(=O)NC2CCC(C)CC2)nc2sccc2c1=O ZINC000036800694 564419458 /nfs/dbraw/zinc/41/94/58/564419458.db2.gz LQADOGDCAUBDCW-UHFFFAOYSA-N 0 0 377.535 3.431 20 30 GGEDRN C=CCn1c(SCc2csc(NC(C)=O)n2)nc2sccc2c1=O ZINC000036852748 564419643 /nfs/dbraw/zinc/41/96/43/564419643.db2.gz BMSDZZLDIJQLLB-UHFFFAOYSA-N 0 0 378.504 3.351 20 30 GGEDRN C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nc2sccc2c1=O ZINC000036800106 564419703 /nfs/dbraw/zinc/41/97/03/564419703.db2.gz DHFIUVDLVFIFKA-GXTWGEPZSA-N 0 0 377.535 3.431 20 30 GGEDRN CC(C)(C)[C@@H](C#N)NC(=O)c1cc(F)c(F)cc1I ZINC000122695472 564424248 /nfs/dbraw/zinc/42/42/48/564424248.db2.gz WVBVFIRIYWNWLM-LLVKDONJSA-N 0 0 378.160 3.237 20 30 GGEDRN CSc1ncc(Cl)c(C(=O)NCCSCc2ccccc2C#N)n1 ZINC000039555793 564424468 /nfs/dbraw/zinc/42/44/68/564424468.db2.gz FYOBCWSETHOFKJ-UHFFFAOYSA-N 0 0 378.910 3.387 20 30 GGEDRN N#CCCN(Cc1ccco1)C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000122723011 564424930 /nfs/dbraw/zinc/42/49/30/564424930.db2.gz SNTZNWCTEMAOQZ-OAHLLOKOSA-N 0 0 375.222 3.461 20 30 GGEDRN N#CCCN(Cc1ccco1)C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000122723200 564425121 /nfs/dbraw/zinc/42/51/21/564425121.db2.gz SNTZNWCTEMAOQZ-HNNXBMFYSA-N 0 0 375.222 3.461 20 30 GGEDRN C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1sc3c(c1C#N)CCCCC3)CS2 ZINC000122763263 564426753 /nfs/dbraw/zinc/42/67/53/564426753.db2.gz RGDDOOPZSQICMA-ACJLOTCBSA-N 0 0 375.519 3.281 20 30 GGEDRN N#Cc1ccsc1NC(=O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000122764767 564426767 /nfs/dbraw/zinc/42/67/67/564426767.db2.gz FPJAJWYAGRVLOA-UHFFFAOYSA-N 0 0 382.195 3.308 20 30 GGEDRN C#Cc1cccc(NC(=O)[C@H](C)NC(=O)c2ccc(Br)s2)c1 ZINC000040153445 564427105 /nfs/dbraw/zinc/42/71/05/564427105.db2.gz BNILPOUIPBGSSH-JTQLQIEISA-N 0 0 377.263 3.249 20 30 GGEDRN N#Cc1cccc(CNS(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000040435436 564427186 /nfs/dbraw/zinc/42/71/86/564427186.db2.gz LSMFYJRNCOHAHX-UHFFFAOYSA-N 0 0 385.670 3.453 20 30 GGEDRN CCC[C@H](C#N)NS(=O)(=O)c1cc(Br)ccc1Br ZINC000040363810 564427472 /nfs/dbraw/zinc/42/74/72/564427472.db2.gz DGPCTHRWGXDEKK-SECBINFHSA-N 0 0 396.104 3.182 20 30 GGEDRN N#CCc1ccc(NC(=O)COc2c(Br)cccc2[N+](=O)[O-])cc1 ZINC000122790534 564427552 /nfs/dbraw/zinc/42/75/52/564427552.db2.gz AOQYPBGSOBXVFY-UHFFFAOYSA-N 0 0 390.193 3.441 20 30 GGEDRN N#CCCN(Cc1ccco1)C[C@H](O)COc1ccc(Br)cc1 ZINC000122818518 564428700 /nfs/dbraw/zinc/42/87/00/564428700.db2.gz MUTHBHNLGMVLCS-HNNXBMFYSA-N 0 0 379.254 3.198 20 30 GGEDRN Cc1cc(CN2CCN(c3ncccc3C#N)CC2)sc1Br ZINC000122935155 564431982 /nfs/dbraw/zinc/43/19/82/564431982.db2.gz PTDZKNKCTYZVAW-UHFFFAOYSA-N 0 0 377.311 3.408 20 30 GGEDRN C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1NS(C)(=O)=O ZINC000123006300 564435089 /nfs/dbraw/zinc/43/50/89/564435089.db2.gz PGWUJBGUGHXSBF-NSHDSACASA-N 0 0 377.853 3.074 20 30 GGEDRN C=CCN(CC=C)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CC ZINC000041771369 564436355 /nfs/dbraw/zinc/43/63/55/564436355.db2.gz NMCGABVQOMGMKL-UHFFFAOYSA-N 0 0 377.535 3.387 20 30 GGEDRN C=CCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000123076000 564437234 /nfs/dbraw/zinc/43/72/34/564437234.db2.gz WPKYAKZMHKNHPF-GDBMZVCRSA-N 0 0 378.519 3.239 20 30 GGEDRN CC(C)N(CC(F)(F)F)C(=O)COc1ccc(Br)cc1C#N ZINC000123074193 564437737 /nfs/dbraw/zinc/43/77/37/564437737.db2.gz WZLFASDOTMKTFM-UHFFFAOYSA-N 0 0 379.176 3.499 20 30 GGEDRN CN(Cc1ccccc1F)C(=O)COc1ccc(Br)cc1C#N ZINC000123095046 564438035 /nfs/dbraw/zinc/43/80/35/564438035.db2.gz ULIKWKIEWUJUHB-UHFFFAOYSA-N 0 0 377.213 3.497 20 30 GGEDRN N#Cc1cc(Br)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000123093494 564438343 /nfs/dbraw/zinc/43/83/43/564438343.db2.gz CAKLRHMKHDGXFI-UHFFFAOYSA-N 0 0 389.205 3.109 20 30 GGEDRN N#Cc1cc(Br)ccc1OCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000123094300 564438679 /nfs/dbraw/zinc/43/86/79/564438679.db2.gz ZYRWWDWBKNVFAJ-OAHLLOKOSA-N 0 0 387.233 3.340 20 30 GGEDRN COC(=O)c1cccc(CC(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 ZINC000123141102 564439064 /nfs/dbraw/zinc/43/90/64/564439064.db2.gz XTGSDEJLACIZSE-INIZCTEOSA-N 0 0 387.233 3.159 20 30 GGEDRN N#C[C@H](NC(=O)c1ccnc(OCC(F)F)c1)c1cccc(Br)c1 ZINC000123137522 564439420 /nfs/dbraw/zinc/43/94/20/564439420.db2.gz OEBRHAVUPJKWRO-ZDUSSCGKSA-N 0 0 396.191 3.483 20 30 GGEDRN COC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C#N)cc1 ZINC000123144772 564440234 /nfs/dbraw/zinc/44/02/34/564440234.db2.gz BEKSQHFMSIWVOL-UHFFFAOYSA-N 0 0 389.205 3.125 20 30 GGEDRN C=CCn1c(SCC(=O)N[C@H](C(C)=O)C(C)C)nnc1-c1cccs1 ZINC000123185256 564441172 /nfs/dbraw/zinc/44/11/72/564441172.db2.gz HWDJNVAFZHKGRQ-HNNXBMFYSA-N 0 0 378.523 3.015 20 30 GGEDRN C=CCn1c(SCC(=O)N(CC)C[C@@H](C)C#N)nnc1-c1cccs1 ZINC000123209980 564442071 /nfs/dbraw/zinc/44/20/71/564442071.db2.gz RMCWSRNXIHEMRG-ZDUSSCGKSA-N 0 0 375.523 3.293 20 30 GGEDRN N#Cc1ccc(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)s1 ZINC000123234497 564443023 /nfs/dbraw/zinc/44/30/23/564443023.db2.gz XPTAENLTYJDEHN-UHFFFAOYSA-N 0 0 390.306 3.340 20 30 GGEDRN N#CCCN(Cc1cccnc1)C(=O)c1ccc(I)cc1 ZINC000042272609 564444476 /nfs/dbraw/zinc/44/44/76/564444476.db2.gz QNBRLIASTKTNTE-UHFFFAOYSA-N 0 0 391.212 3.242 20 30 GGEDRN N#CCCN(Cc1ccco1)S(=O)(=O)c1ccc(Br)s1 ZINC000042294995 564444611 /nfs/dbraw/zinc/44/46/11/564444611.db2.gz GJINYAVOIIDVCU-UHFFFAOYSA-N 0 0 375.269 3.208 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)c1cccc(I)c1 ZINC000042354565 564445699 /nfs/dbraw/zinc/44/56/99/564445699.db2.gz HVYMGKYSWPTJNS-UHFFFAOYSA-N 0 0 376.197 3.435 20 30 GGEDRN C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000123349524 564445967 /nfs/dbraw/zinc/44/59/67/564445967.db2.gz IDZIEARLEAQHIB-VWLOTQADSA-N 0 0 384.929 3.362 20 30 GGEDRN CCC(=O)c1cc(Br)ccc1OCC(=O)N[C@@](C)(C#N)C(C)C ZINC000123380332 564446589 /nfs/dbraw/zinc/44/65/89/564446589.db2.gz BVJBDCDFEWDOIV-KRWDZBQOSA-N 0 0 381.270 3.475 20 30 GGEDRN CCC(=O)c1cc(Br)ccc1OCC(=O)N[C@](C)(C#N)C1CC1 ZINC000123384889 564446973 /nfs/dbraw/zinc/44/69/73/564446973.db2.gz NVEBKQZMJQHXQV-QGZVFWFLSA-N 0 0 379.254 3.229 20 30 GGEDRN N#Cc1ccnc(N2CCN(C(=O)Nc3ccc(Br)cc3)CC2)c1 ZINC000043134079 564453504 /nfs/dbraw/zinc/45/35/04/564453504.db2.gz WMOKABJDYWGVDV-UHFFFAOYSA-N 0 0 386.253 3.070 20 30 GGEDRN N#Cc1ccnc(N2CCN(C(=O)Nc3cccc(Br)c3)CC2)c1 ZINC000043134406 564453788 /nfs/dbraw/zinc/45/37/88/564453788.db2.gz QNNYKBMTIAACJX-UHFFFAOYSA-N 0 0 386.253 3.070 20 30 GGEDRN O=C(CNC(=O)NCC#Cc1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000043138783 564454519 /nfs/dbraw/zinc/45/45/19/564454519.db2.gz XSPFPUPRXLOSEI-UHFFFAOYSA-N 0 0 376.243 3.283 20 30 GGEDRN N#Cc1cccc(CNC(=O)Nc2ccccc2I)c1 ZINC000043157766 564454550 /nfs/dbraw/zinc/45/45/50/564454550.db2.gz PMJMWCBQOBLGCR-UHFFFAOYSA-N 0 0 377.185 3.485 20 30 GGEDRN N#Cc1ccc(NC(=O)CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1Cl ZINC000123644966 564456636 /nfs/dbraw/zinc/45/66/36/564456636.db2.gz GLHJRRCIFFNEQP-CVEARBPZSA-N 0 0 379.913 3.137 20 30 GGEDRN CC1(C)c2cc(S(=O)(=O)Nc3cc(C#N)ccc3Cl)ccc2NC1=O ZINC000123731450 564459561 /nfs/dbraw/zinc/45/95/61/564459561.db2.gz RALPEJIISNJPQX-UHFFFAOYSA-N 0 0 375.837 3.242 20 30 GGEDRN N#Cc1ccc(Cl)c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000123727173 564459738 /nfs/dbraw/zinc/45/97/38/564459738.db2.gz LXIYIRAYVANPDP-UHFFFAOYSA-N 0 0 375.837 3.139 20 30 GGEDRN Cc1cc(NC(=O)CNC(=O)c2sccc2C#N)ccc1Br ZINC000123758607 564460197 /nfs/dbraw/zinc/46/01/97/564460197.db2.gz GVCRCOWTRKTOPI-UHFFFAOYSA-N 0 0 378.251 3.059 20 30 GGEDRN N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)cc1 ZINC000043739598 564461238 /nfs/dbraw/zinc/46/12/38/564461238.db2.gz BHCHZOFFFUOCSF-CYBMUJFWSA-N 0 0 384.233 3.312 20 30 GGEDRN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)[C@H](c2ccccc2)CO1 ZINC000123921221 564466562 /nfs/dbraw/zinc/46/65/62/564466562.db2.gz MZUWKSULSMEEBA-DYVFJYSZSA-N 0 0 376.865 3.362 20 30 GGEDRN CCCN(CC#N)S(=O)(=O)c1cc(Br)ccc1Br ZINC000044373814 564467453 /nfs/dbraw/zinc/46/74/53/564467453.db2.gz PAHYTHDTYICPPR-UHFFFAOYSA-N 0 0 396.104 3.136 20 30 GGEDRN 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ZINC000130104210 564670179 /nfs/dbraw/zinc/67/01/79/564670179.db2.gz GWYIMCNXXFNBMK-UHFFFAOYSA-N 0 0 397.250 3.298 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)NCc2cccc(Br)c2)ccc1Cl ZINC000057680115 564671464 /nfs/dbraw/zinc/67/14/64/564671464.db2.gz GQZBRLLIRMNXRL-UHFFFAOYSA-N 0 0 392.640 3.229 20 30 GGEDRN N#Cc1cn(CC(=O)Nc2ccccc2Br)c2ccccc2c1=O ZINC000057740081 564673072 /nfs/dbraw/zinc/67/30/72/564673072.db2.gz HZHCUWPCOWSAEH-UHFFFAOYSA-N 0 0 382.217 3.274 20 30 GGEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)NCCc2ccc(Cl)s2)cc1 ZINC000130244235 564674415 /nfs/dbraw/zinc/67/44/15/564674415.db2.gz KLGGCTBTQKEAQP-UHFFFAOYSA-N 0 0 396.921 3.451 20 30 GGEDRN N#Cc1ccc(F)cc1CSc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000130308549 564676290 /nfs/dbraw/zinc/67/62/90/564676290.db2.gz XZJNHLVLGUJOGF-UHFFFAOYSA-N 0 0 377.466 3.169 20 30 GGEDRN N#Cc1ccc(OC2CN(C(=O)c3c(F)cccc3Br)C2)cc1 ZINC000130367492 564677873 /nfs/dbraw/zinc/67/78/73/564677873.db2.gz JSGIXISCYDXPFF-UHFFFAOYSA-N 0 0 375.197 3.363 20 30 GGEDRN C[C@H]1CCC[C@](C#N)(NS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000130446441 564681297 /nfs/dbraw/zinc/68/12/97/564681297.db2.gz BHARJGHVLLUPTD-HZMBPMFUSA-N 0 0 375.263 3.339 20 30 GGEDRN C[C@H]1CCC[C@](C#N)(NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000130466968 564681923 /nfs/dbraw/zinc/68/19/23/564681923.db2.gz AKWYBSGDKIZUCG-NHYWBVRUSA-N 0 0 382.283 3.072 20 30 GGEDRN COc1ccc(Br)c(S(=O)(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1 ZINC000130485861 564682876 /nfs/dbraw/zinc/68/28/76/564682876.db2.gz KUDHMMSYVLOBNX-XHDPSFHLSA-N 0 0 387.299 3.208 20 30 GGEDRN C[C@@H]1CCC[C@@](C#N)(NS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000130476002 564682960 /nfs/dbraw/zinc/68/29/60/564682960.db2.gz VQACOQVVVSHBLP-QMTHXVAHSA-N 0 0 375.263 3.339 20 30 GGEDRN COc1ccc(Br)c(S(=O)(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1 ZINC000130486281 564683033 /nfs/dbraw/zinc/68/30/33/564683033.db2.gz KUDHMMSYVLOBNX-NHYWBVRUSA-N 0 0 387.299 3.208 20 30 GGEDRN N#Cc1ccc(OC2CN(C(=O)c3ccc(F)cc3Br)C2)cc1 ZINC000130489270 564683152 /nfs/dbraw/zinc/68/31/52/564683152.db2.gz 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/nfs/dbraw/zinc/69/34/37/564693437.db2.gz JLEPMGMMNMQENU-UHFFFAOYSA-N 0 0 380.853 3.346 20 30 GGEDRN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H](c2ccsc2)O1 ZINC000130822002 564693650 /nfs/dbraw/zinc/69/36/50/564693650.db2.gz COTFVRBLWBWKFN-MEDUHNTESA-N 0 0 382.894 3.424 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)COc1ccc(Br)cc1F ZINC000060243474 564695458 /nfs/dbraw/zinc/69/54/58/564695458.db2.gz RDNPPVKBBOOEMI-UHFFFAOYSA-N 0 0 379.185 3.486 20 30 GGEDRN C=CCN(CCc1ccccc1)C(=O)CNC(=O)c1ccc(Br)o1 ZINC000060169119 564695940 /nfs/dbraw/zinc/69/59/40/564695940.db2.gz ODVXINGTFQIAIG-UHFFFAOYSA-N 0 0 391.265 3.029 20 30 GGEDRN CCSCCOc1c(I)cc(C#N)cc1[N+](=O)[O-] ZINC000130933891 564696866 /nfs/dbraw/zinc/69/68/66/564696866.db2.gz MOXDYEHCCSULQI-UHFFFAOYSA-N 0 0 378.191 3.203 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(F)cn1 ZINC000060380981 564697113 /nfs/dbraw/zinc/69/71/13/564697113.db2.gz RFVKALCWERTJQC-UHFFFAOYSA-N 0 0 394.200 3.271 20 30 GGEDRN N#Cc1ccc(N2CCN(Cc3ccc(Br)cc3F)CC2)nc1 ZINC000060481743 564699101 /nfs/dbraw/zinc/69/91/01/564699101.db2.gz ZKVHXJIIMOABMI-UHFFFAOYSA-N 0 0 375.245 3.177 20 30 GGEDRN CC(C)OCCCOc1c(I)cc(C#N)cc1[N+](=O)[O-] ZINC000131061751 564699648 /nfs/dbraw/zinc/69/96/48/564699648.db2.gz HDAAJIOXZQHZCC-UHFFFAOYSA-N 0 0 390.177 3.265 20 30 GGEDRN COc1ccc(CN2CCN(c3ccc(C#N)cn3)CC2)cc1Br ZINC000060526872 564700146 /nfs/dbraw/zinc/70/01/46/564700146.db2.gz GKDRDBLRQQWIRG-UHFFFAOYSA-N 0 0 387.281 3.047 20 30 GGEDRN COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC(C#N)CC1 ZINC000061585710 564707009 /nfs/dbraw/zinc/70/70/09/564707009.db2.gz FZQMZISPIZJLGT-UHFFFAOYSA-N 0 0 379.254 3.183 20 30 GGEDRN COCCN(CC(F)(F)F)C(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000062921092 564713380 /nfs/dbraw/zinc/71/33/80/564713380.db2.gz LQOWQUZZIKPAPG-UHFFFAOYSA-N 0 0 375.416 3.008 20 30 GGEDRN C[C@@H](CC#N)N(C)S(=O)(=O)c1ccc(Br)cc1Br ZINC000063098095 564714186 /nfs/dbraw/zinc/71/41/86/564714186.db2.gz CYSPHATYMCNETD-QMMMGPOBSA-N 0 0 396.104 3.134 20 30 GGEDRN COCc1cccc(CNC(=O)COc2ccc(Br)cc2C#N)c1 ZINC000131558703 564715508 /nfs/dbraw/zinc/71/55/08/564715508.db2.gz LHTZNLUTFNGJLI-UHFFFAOYSA-N 0 0 389.249 3.162 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccccn1 ZINC000131545165 564715999 /nfs/dbraw/zinc/71/59/99/564715999.db2.gz DWLFHKPVAZWHHX-UHFFFAOYSA-N 0 0 385.258 3.360 20 30 GGEDRN N#Cc1c(Cl)nsc1NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000063266578 564716021 /nfs/dbraw/zinc/71/60/21/564716021.db2.gz AILQTHZJQCCAMC-ZDUSSCGKSA-N 0 0 376.869 3.189 20 30 GGEDRN CC(=O)Nc1ccc(NC(=O)COc2ccc(Br)cc2C#N)cc1 ZINC000131582319 564716569 /nfs/dbraw/zinc/71/65/69/564716569.db2.gz ZYFXQPAFYJUKHS-UHFFFAOYSA-N 0 0 388.221 3.297 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000063424504 564717791 /nfs/dbraw/zinc/71/77/91/564717791.db2.gz MGGPPAJJMKTFBW-UHFFFAOYSA-N 0 0 398.260 3.474 20 30 GGEDRN C=CCN(CC=C)C(=O)CN1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000063580241 564718958 /nfs/dbraw/zinc/71/89/58/564718958.db2.gz QYPWTVQIZPIYET-QGZVFWFLSA-N 0 0 379.298 3.023 20 30 GGEDRN C[C@H](Cc1ccccc1Br)NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000131651510 564719304 /nfs/dbraw/zinc/71/93/04/564719304.db2.gz KSTIWZJGCBLAFL-GFCCVEGCSA-N 0 0 386.249 3.007 20 30 GGEDRN C[C@@H](C#N)CN(C)C(=O)CCSCC(=O)Nc1ccc(Br)cc1 ZINC000063747079 564721799 /nfs/dbraw/zinc/72/17/99/564721799.db2.gz GOAZASKHNCPSKH-LBPRGKRZSA-N 0 0 398.326 3.129 20 30 GGEDRN CN(C(=O)c1cc(F)c(F)cc1I)C1(C#N)CCC1 ZINC000131735779 564722023 /nfs/dbraw/zinc/72/20/23/564722023.db2.gz KQZWHNPHYRKHEZ-UHFFFAOYSA-N 0 0 376.144 3.088 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1F ZINC000063765650 564722430 /nfs/dbraw/zinc/72/24/30/564722430.db2.gz OGSAVNPFWSRXGJ-UHFFFAOYSA-N 0 0 382.844 3.188 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1C ZINC000063765559 564722818 /nfs/dbraw/zinc/72/28/18/564722818.db2.gz SDINQKPEIKEHHF-UHFFFAOYSA-N 0 0 378.881 3.357 20 30 GGEDRN N#Cc1ccc(NCC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000063811975 564723645 /nfs/dbraw/zinc/72/36/45/564723645.db2.gz MRKFGOSGIOWTJF-UHFFFAOYSA-N 0 0 377.231 3.032 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)COc1ccc(I)cc1 ZINC000063960812 564725109 /nfs/dbraw/zinc/72/51/09/564725109.db2.gz OUMBTGDTPAIPEP-UHFFFAOYSA-N 0 0 392.196 3.489 20 30 GGEDRN C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000131912982 564727763 /nfs/dbraw/zinc/72/77/63/564727763.db2.gz AKBWYPHNSLZMJG-MRVPVSSYSA-N 0 0 392.175 3.167 20 30 GGEDRN CN(Cc1cc(C#N)ccc1F)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000131897831 564728027 /nfs/dbraw/zinc/72/80/27/564728027.db2.gz XPSFUDGJGGUYCO-INIZCTEOSA-N 0 0 376.229 3.118 20 30 GGEDRN CN(Cc1cc(C#N)ccc1F)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000131898034 564728129 /nfs/dbraw/zinc/72/81/29/564728129.db2.gz XPSFUDGJGGUYCO-MRXNPFEDSA-N 0 0 376.229 3.118 20 30 GGEDRN C[C@@H](CC#N)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000064346379 564728226 /nfs/dbraw/zinc/72/82/26/564728226.db2.gz FWNHAAHRKAGEJK-LBPRGKRZSA-N 0 0 377.853 3.173 20 30 GGEDRN N#CCc1cccc(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)c1 ZINC000064457152 564729990 /nfs/dbraw/zinc/72/99/90/564729990.db2.gz PWMSEHMBCCLXQP-UHFFFAOYSA-N 0 0 396.248 3.407 20 30 GGEDRN N#Cc1ccc(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)cc1 ZINC000064463390 564730098 /nfs/dbraw/zinc/73/00/98/564730098.db2.gz PQAJJLMLBODQOS-UHFFFAOYSA-N 0 0 382.221 3.213 20 30 GGEDRN C=CCNc1ncc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)s1 ZINC000131991184 564731263 /nfs/dbraw/zinc/73/12/63/564731263.db2.gz AZSFUAZAOMSWHB-UHFFFAOYSA-N 0 0 376.913 3.352 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cn1 ZINC000132061954 564732988 /nfs/dbraw/zinc/73/29/88/564732988.db2.gz CFWKHXFTKJDPIW-CYBMUJFWSA-N 0 0 398.271 3.102 20 30 GGEDRN CCOC(=O)c1sc(NC(=O)CSCc2ccccn2)c(C#N)c1C ZINC000064680368 564734822 /nfs/dbraw/zinc/73/48/22/564734822.db2.gz FUTITUKRYCSWLW-UHFFFAOYSA-N 0 0 375.475 3.372 20 30 GGEDRN C=CCSCCNC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000132173628 564735555 /nfs/dbraw/zinc/73/55/55/564735555.db2.gz XRRKYRZVQOXYHD-UHFFFAOYSA-N 0 0 375.515 3.310 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(OC)ccc2Cl)cc1 ZINC000064880885 564736061 /nfs/dbraw/zinc/73/60/61/564736061.db2.gz XWDIWIUBMJXNAF-UHFFFAOYSA-N 0 0 380.853 3.065 20 30 GGEDRN C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000132179556 564736808 /nfs/dbraw/zinc/73/68/08/564736808.db2.gz OZYCURUFANMIRD-VIFPVBQESA-N 0 0 375.828 3.396 20 30 GGEDRN Cc1cc(Br)c(NS(=O)(=O)c2ccc(C#N)nc2)cc1Cl ZINC000132215685 564736813 /nfs/dbraw/zinc/73/68/13/564736813.db2.gz DYHVTHKNFNVLBI-UHFFFAOYSA-N 0 0 386.658 3.478 20 30 GGEDRN CN(C(=O)c1cncc(I)c1)c1cc(Cl)ccc1C#N ZINC000132370765 564741773 /nfs/dbraw/zinc/74/17/73/564741773.db2.gz MBOMEUNNSARUCU-UHFFFAOYSA-N 0 0 397.603 3.488 20 30 GGEDRN N#Cc1cccnc1N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000065222898 564741924 /nfs/dbraw/zinc/74/19/24/564741924.db2.gz ONWUXZBVGRNTAC-UHFFFAOYSA-N 0 0 375.245 3.177 20 30 GGEDRN C=CC[C@@H](C)NC(=O)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000132417792 564742537 /nfs/dbraw/zinc/74/25/37/564742537.db2.gz CPZHBXMYOGKDFL-LLVKDONJSA-N 0 0 381.263 3.258 20 30 GGEDRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@]1(C#N)CCSC1 ZINC000132395310 564743075 /nfs/dbraw/zinc/74/30/75/564743075.db2.gz JQSYNIUMLRWCQC-WMLDXEAASA-N 0 0 397.338 3.160 20 30 GGEDRN CCc1nc(C(=O)N[C@]2(C#N)CCSC2)nn1-c1c(Cl)cccc1Cl ZINC000132616454 564747696 /nfs/dbraw/zinc/74/76/96/564747696.db2.gz FODAHGKANZQWNM-INIZCTEOSA-N 0 0 396.303 3.266 20 30 GGEDRN C=C(C)COCCNC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000132612498 564747921 /nfs/dbraw/zinc/74/79/21/564747921.db2.gz BLGZRYMVZBZRRX-JOCHJYFZSA-N 0 0 388.327 3.046 20 30 GGEDRN Cc1cc2c(cc1Br)N(S(=O)(=O)c1ccc(C#N)nc1)CCC2 ZINC000132704996 564751086 /nfs/dbraw/zinc/75/10/86/564751086.db2.gz KMWMEFOLTZPIQY-UHFFFAOYSA-N 0 0 392.278 3.166 20 30 GGEDRN C[C@@H](C#N)CN(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000065880682 564751633 /nfs/dbraw/zinc/75/16/33/564751633.db2.gz WSJDUQDGKYJSQQ-CJAAZZPWSA-N 0 0 393.559 3.348 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)NCc2ccc(O)c(Br)c2)c1 ZINC000132806516 564753817 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Cc1nc(NC(=O)C[C@@H](C)NC(=O)C2CCCCC2)sc1SCC#N ZINC000066313784 564761352 /nfs/dbraw/zinc/76/13/52/564761352.db2.gz RACOBLDNAKBNTP-LLVKDONJSA-N 0 0 380.539 3.481 20 30 GGEDRN Cc1nc(NC(=O)C[C@H](C)NC(=O)C2CCCCC2)sc1SCC#N ZINC000066313788 564761598 /nfs/dbraw/zinc/76/15/98/564761598.db2.gz RACOBLDNAKBNTP-NSHDSACASA-N 0 0 380.539 3.481 20 30 GGEDRN C=CCCO[C@@H](C)C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000066320324 564762184 /nfs/dbraw/zinc/76/21/84/564762184.db2.gz GUWMAYXGMZZKNR-ZDUSSCGKSA-N 0 0 385.291 3.259 20 30 GGEDRN C=CCCO[C@H](C)C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000066320212 564762520 /nfs/dbraw/zinc/76/25/20/564762520.db2.gz FFESODNLKOXDRG-CABCVRRESA-N 0 0 381.314 3.373 20 30 GGEDRN N#CCCN(CC(F)(F)F)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000133091570 564762697 /nfs/dbraw/zinc/76/26/97/564762697.db2.gz BPQQDESMMAUTLA-UHFFFAOYSA-N 0 0 380.120 3.275 20 30 GGEDRN Cc1cc(C)n2nc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)nc2n1 ZINC000066394358 564764558 /nfs/dbraw/zinc/76/45/58/564764558.db2.gz RBODPTNUXWLQPX-LBPRGKRZSA-N 0 0 375.219 3.043 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1cccc(Cl)c1Cl ZINC000066393488 564764591 /nfs/dbraw/zinc/76/45/91/564764591.db2.gz SIERYWXHHNWJBI-CYBMUJFWSA-N 0 0 376.199 3.319 20 30 GGEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000133147726 564764598 /nfs/dbraw/zinc/76/45/98/564764598.db2.gz USNPRYTVZJCOHH-UHFFFAOYSA-N 0 0 384.249 3.315 20 30 GGEDRN C[C@H](Sc1nnnn1C1CC1)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000066393711 564764693 /nfs/dbraw/zinc/76/46/93/564764693.db2.gz DUFLCRZHTJMPFI-UFBFGSQYSA-N 0 0 397.291 3.176 20 30 GGEDRN CCCCCS(=O)(=O)CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000066393972 564764799 /nfs/dbraw/zinc/76/47/99/564764799.db2.gz QOBWXPUZFQVVGN-ZDUSSCGKSA-N 0 0 377.293 3.279 20 30 GGEDRN CS(=O)(=O)Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)o1 ZINC000066393221 564764801 /nfs/dbraw/zinc/76/48/01/564764801.db2.gz JCDUNDYRCLYDFY-LBPRGKRZSA-N 0 0 387.244 3.126 20 30 GGEDRN N#C[C@@H](NC(=O)CS(=O)(=O)C1CCCC1)c1cccc(Cl)c1Cl ZINC000066393746 564764935 /nfs/dbraw/zinc/76/49/35/564764935.db2.gz AYVHKFNRTUUJEB-CYBMUJFWSA-N 0 0 375.277 3.032 20 30 GGEDRN N#C[C@@H](NC(=O)Cn1cnc2sccc2c1=O)c1cccc(Cl)c1Cl ZINC000066392559 564765062 /nfs/dbraw/zinc/76/50/62/564765062.db2.gz YWCIKHOHNWPCNM-GFCCVEGCSA-N 0 0 393.255 3.146 20 30 GGEDRN CS(=O)(=O)c1cccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1 ZINC000066392207 564765074 /nfs/dbraw/zinc/76/50/74/564765074.db2.gz CTZFUTBWFCMWRN-CQSZACIVSA-N 0 0 383.256 3.392 20 30 GGEDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000066392781 564765100 /nfs/dbraw/zinc/76/51/00/564765100.db2.gz ICACLRAZRSVYPN-LBPRGKRZSA-N 0 0 382.207 3.178 20 30 GGEDRN CN(C)C(=O)N1CCC(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)CC1 ZINC000066393773 564765102 /nfs/dbraw/zinc/76/51/02/564765102.db2.gz OWYBKOSTWSYYCE-AWEZNQCLSA-N 0 0 383.279 3.068 20 30 GGEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1c(F)cccc1Br ZINC000133221048 564766409 /nfs/dbraw/zinc/76/64/09/564766409.db2.gz GZOWEBCZPLFOGR-UHFFFAOYSA-N 0 0 384.249 3.315 20 30 GGEDRN Cc1ccc(NC(=O)C(=O)N(CCC#N)CCC(C)C)cc1Br ZINC000133207799 564766802 /nfs/dbraw/zinc/76/68/02/564766802.db2.gz DRJJLFITXMKALZ-UHFFFAOYSA-N 0 0 380.286 3.484 20 30 GGEDRN Cc1ccc(NC(=O)C(=O)N(CCC#N)CCC(C)C)c(Br)c1 ZINC000133230445 564766620 /nfs/dbraw/zinc/76/66/20/564766620.db2.gz WGYPVVZTIHLNPZ-UHFFFAOYSA-N 0 0 380.286 3.484 20 30 GGEDRN CCN(CCC#N)C(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000133259954 564767349 /nfs/dbraw/zinc/76/73/49/564767349.db2.gz QMYWFKQGYSKAKJ-UHFFFAOYSA-N 0 0 383.539 3.125 20 30 GGEDRN Cc1cc(Br)ccc1S(=O)(=O)N(CCC#N)Cc1cccnc1 ZINC000133240683 564767858 /nfs/dbraw/zinc/76/78/58/564767858.db2.gz WGGVLZUCROUZOW-UHFFFAOYSA-N 0 0 394.294 3.257 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)c3nc(Cl)ccc3Cl)CC2)nc1 ZINC000066526861 564768228 /nfs/dbraw/zinc/76/82/28/564768228.db2.gz PWFVERATZYATBV-UHFFFAOYSA-N 0 0 376.247 3.054 20 30 GGEDRN Cc1cc(NC(=O)C(=O)N(CCC#N)CCC(C)C)ccc1Br ZINC000133308134 564769667 /nfs/dbraw/zinc/76/96/67/564769667.db2.gz JKIBIHFAIXJDTL-UHFFFAOYSA-N 0 0 380.286 3.484 20 30 GGEDRN N#Cc1ccc(NCC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000133292547 564769669 /nfs/dbraw/zinc/76/96/69/564769669.db2.gz NDZZKWIMLBHVHM-UHFFFAOYSA-N 0 0 378.259 3.298 20 30 GGEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000133347155 564771038 /nfs/dbraw/zinc/77/10/38/564771038.db2.gz BMZVQTQODGFHKF-UHFFFAOYSA-N 0 0 384.249 3.315 20 30 GGEDRN CS(=O)(=O)N(CCOc1ccccc1Br)c1cccc(C#N)c1 ZINC000133506840 564776030 /nfs/dbraw/zinc/77/60/30/564776030.db2.gz MKNHKCHQVXRKCC-UHFFFAOYSA-N 0 0 395.278 3.166 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CNS(=O)(=O)c1cccs1 ZINC000066856493 564776739 /nfs/dbraw/zinc/77/67/39/564776739.db2.gz VEUYFMMODUBQGJ-GFCCVEGCSA-N 0 0 395.531 3.059 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000066933561 564778394 /nfs/dbraw/zinc/77/83/94/564778394.db2.gz XIUQLHVURKDGRK-QGZVFWFLSA-N 0 0 380.828 3.113 20 30 GGEDRN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000133575647 564778528 /nfs/dbraw/zinc/77/85/28/564778528.db2.gz BQXUXHUBFXHZQN-UHFFFAOYSA-N 0 0 395.301 3.270 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1Cl ZINC000066933880 564778841 /nfs/dbraw/zinc/77/88/41/564778841.db2.gz VXDUDSVJVADYLA-KRWDZBQOSA-N 0 0 380.828 3.113 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1Cl ZINC000066933881 564778903 /nfs/dbraw/zinc/77/89/03/564778903.db2.gz VXDUDSVJVADYLA-QGZVFWFLSA-N 0 0 380.828 3.113 20 30 GGEDRN CN(C(=O)COc1ccc([N+](=O)[O-])cc1Br)C1(C#N)CCCCC1 ZINC000133711708 564783192 /nfs/dbraw/zinc/78/31/92/564783192.db2.gz ZXLUYNDFLLJDFX-UHFFFAOYSA-N 0 0 396.241 3.421 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000067194393 564787166 /nfs/dbraw/zinc/78/71/66/564787166.db2.gz LXKBQAUYBWNQEB-UHFFFAOYSA-N 0 0 380.853 3.195 20 30 GGEDRN N#Cc1ccnc(N2CCO[C@@H](c3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000133924796 564788731 /nfs/dbraw/zinc/78/87/31/564788731.db2.gz KLFFSYUMLPYQLB-CQSZACIVSA-N 0 0 389.209 3.202 20 30 GGEDRN CCCS(=O)(=O)N1CCC(Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000067351096 564789528 /nfs/dbraw/zinc/78/95/28/564789528.db2.gz PPLCIKWDKMWKBK-UHFFFAOYSA-N 0 0 375.416 3.193 20 30 GGEDRN Cc1c(C(=O)N(CCC#N)CCC#N)cnn1-c1ccc(Br)cc1 ZINC000067676785 564797236 /nfs/dbraw/zinc/79/72/36/564797236.db2.gz QELAFIBXOQLAKI-UHFFFAOYSA-N 0 0 386.253 3.213 20 30 GGEDRN N#Cc1ccc(OCC(=O)Nc2ccccc2I)c(F)c1 ZINC000134317895 564800288 /nfs/dbraw/zinc/80/02/88/564800288.db2.gz DQULVAMBQCMQSY-UHFFFAOYSA-N 0 0 396.159 3.319 20 30 GGEDRN N#CCc1cccc(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000067936354 564802695 /nfs/dbraw/zinc/80/26/95/564802695.db2.gz WJDFAGUQQRTQQK-CQSZACIVSA-N 0 0 379.243 3.229 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)c1ccccn1 ZINC000134518639 564805176 /nfs/dbraw/zinc/80/51/76/564805176.db2.gz LXIBMJTWUPLKJH-UHFFFAOYSA-N 0 0 390.237 3.156 20 30 GGEDRN C[C@H](Nc1ccc(Br)cc1C#N)c1cccc(S(N)(=O)=O)c1 ZINC000134505388 564805568 /nfs/dbraw/zinc/80/55/68/564805568.db2.gz HZZFPVIHVKBTHL-JTQLQIEISA-N 0 0 380.267 3.141 20 30 GGEDRN C=C(C)CN(CC)C(=O)CS(=O)(=O)[C@H](C)c1cccc(Br)c1 ZINC000134531463 564806222 /nfs/dbraw/zinc/80/62/22/564806222.db2.gz VPWPNGVRZHJFJH-CYBMUJFWSA-N 0 0 388.327 3.350 20 30 GGEDRN CCc1c(C(=O)N(C)C[C@@H](C)C#N)cnn1-c1ccc(Br)cc1 ZINC000068081320 564807572 /nfs/dbraw/zinc/80/75/72/564807572.db2.gz VGKKNOOEFXVLMR-LBPRGKRZSA-N 0 0 375.270 3.429 20 30 GGEDRN C[C@H](C#N)CN(C)C(=O)CCCOc1ccc(I)cc1 ZINC000068081052 564807957 /nfs/dbraw/zinc/80/79/57/564807957.db2.gz QLKKKDAMVYVFMW-GFCCVEGCSA-N 0 0 386.233 3.068 20 30 GGEDRN CS(=O)(=O)Cc1ccc(CNc2ccc(C#N)cc2Br)cc1 ZINC000134684145 564812653 /nfs/dbraw/zinc/81/26/53/564812653.db2.gz JMCHIMNBQOUOFQ-UHFFFAOYSA-N 0 0 379.279 3.477 20 30 GGEDRN C=CCNc1nnc(SCC(=O)Nc2nnc(-c3sccc3C)o2)s1 ZINC000068276105 564812929 /nfs/dbraw/zinc/81/29/29/564812929.db2.gz JSEKOYBQZPGTMX-UHFFFAOYSA-N 0 0 394.507 3.287 20 30 GGEDRN CS(=O)(=O)Cc1cccc(CNc2ccc(C#N)cc2Br)c1 ZINC000134751744 564814515 /nfs/dbraw/zinc/81/45/15/564814515.db2.gz YPYGSKLLKYACAA-UHFFFAOYSA-N 0 0 379.279 3.477 20 30 GGEDRN CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000068328662 564814567 /nfs/dbraw/zinc/81/45/67/564814567.db2.gz YENDFFALRWMAQF-SQNIBIBYSA-N 0 0 390.325 3.245 20 30 GGEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CCc2cc(Br)cs2)CC1 ZINC000068328565 564814818 /nfs/dbraw/zinc/81/48/18/564814818.db2.gz OMKUSSBAENRQKX-OAHLLOKOSA-N 0 0 384.343 3.136 20 30 GGEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000068328349 564815068 /nfs/dbraw/zinc/81/50/68/564815068.db2.gz JOEJFNYGUYBEKJ-QGZVFWFLSA-N 0 0 390.325 3.173 20 30 GGEDRN CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(Br)cc2Cl)CC1 ZINC000068326970 564815215 /nfs/dbraw/zinc/81/52/15/564815215.db2.gz SEKNCRGNYPJIRJ-HNNXBMFYSA-N 0 0 384.705 3.408 20 30 GGEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CCc2ccccc2Br)CC1 ZINC000068327638 564815158 /nfs/dbraw/zinc/81/51/58/564815158.db2.gz ZIJMKVCYFRHGMP-KRWDZBQOSA-N 0 0 378.314 3.074 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)NCCOc2ncc(Cl)cc2Cl)c1 ZINC000134789009 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C[C@@H]1CN(S(=O)(=O)CCCC#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000292801925 565136127 /nfs/dbraw/zinc/13/61/27/565136127.db2.gz XPQGMSSBKXYNSY-IUODEOHRSA-N 0 0 376.400 3.101 20 30 GGEDRN C[C@H]1CN(S(=O)(=O)CCCC#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000292801928 565136208 /nfs/dbraw/zinc/13/62/08/565136208.db2.gz XPQGMSSBKXYNSY-SWLSCSKDSA-N 0 0 376.400 3.101 20 30 GGEDRN N#Cc1cc(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)c[nH]1 ZINC000184474993 565136614 /nfs/dbraw/zinc/13/66/14/565136614.db2.gz YEHZVMACSVEBSC-HNNXBMFYSA-N 0 0 378.201 3.002 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)Nc1cc(F)c(F)cc1I ZINC000157571796 565137132 /nfs/dbraw/zinc/13/71/32/565137132.db2.gz BDUJVPGHZIOFOV-ZETCQYMHSA-N 0 0 379.148 3.383 20 30 GGEDRN C[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1nc(C(C)(C)C)cs1 ZINC000184476329 565137043 /nfs/dbraw/zinc/13/70/43/565137043.db2.gz PMNMQHNZQPLLHH-ZDUSSCGKSA-N 0 0 377.535 3.437 20 30 GGEDRN C=CCCO[C@@H](C)C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000184489178 565138225 /nfs/dbraw/zinc/13/82/25/565138225.db2.gz DJXUKEORSZOGPS-LRDDRELGSA-N 0 0 386.261 3.469 20 30 GGEDRN CC(C)(C#N)CCN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000157592655 565138290 /nfs/dbraw/zinc/13/82/90/565138290.db2.gz RPQGEGLGOZLXSV-UHFFFAOYSA-N 0 0 390.336 3.240 20 30 GGEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCCSC ZINC000292902252 565140443 /nfs/dbraw/zinc/14/04/43/565140443.db2.gz IWJAZVGREONPCE-UHFFFAOYSA-N 0 0 379.555 3.035 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000157716269 565141042 /nfs/dbraw/zinc/14/10/42/565141042.db2.gz GGMCPULRRUUNBQ-CQSZACIVSA-N 0 0 376.306 3.418 20 30 GGEDRN CCN(C[C@H](C)C#N)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000157672068 565141230 /nfs/dbraw/zinc/14/12/30/565141230.db2.gz FCLFNNUOFKKIBJ-NEPJUHHUSA-N 0 0 385.249 3.100 20 30 GGEDRN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CC[C@@H](CC)O2)nc1C ZINC000268174296 565143452 /nfs/dbraw/zinc/14/34/52/565143452.db2.gz QFUPZHTZYHYFJG-MNOVXSKESA-N 0 0 379.511 3.081 20 30 GGEDRN CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2ccc(C#N)cc2Cl)CC1 ZINC000268206285 565145098 /nfs/dbraw/zinc/14/50/98/565145098.db2.gz GXWOKSVMQHKSCA-LBPRGKRZSA-N 0 0 380.897 3.494 20 30 GGEDRN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000293046740 565148182 /nfs/dbraw/zinc/14/81/82/565148182.db2.gz RATOLZASPVEEFM-CJNGLKHVSA-N 0 0 381.311 3.275 20 30 GGEDRN C[C@]12CCC(=O)N1[C@H](C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)CS2 ZINC000157948666 565150123 /nfs/dbraw/zinc/15/01/23/565150123.db2.gz RFZYKSPIUMAYPS-MKBNYLNASA-N 0 0 384.288 3.128 20 30 GGEDRN Cc1nn(C)c(/C=C/C(=O)c2cc3c(s2)SCC(=O)N3)c1Br ZINC000370579158 565150225 /nfs/dbraw/zinc/15/02/25/565150225.db2.gz HPTYVCPCHWHRSK-ONEGZZNKSA-N 0 0 398.307 3.493 20 30 GGEDRN N#C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)C1CCC1)c1cccc(Cl)c1Cl ZINC000157947058 565150335 /nfs/dbraw/zinc/15/03/35/565150335.db2.gz NGVQBRDVSRLYMS-KGLIPLIRSA-N 0 0 398.315 3.376 20 30 GGEDRN C[C@@]12CCC(=O)N1[C@@H](C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)CS2 ZINC000157948798 565150393 /nfs/dbraw/zinc/15/03/93/565150393.db2.gz RFZYKSPIUMAYPS-HWWQOWPSSA-N 0 0 384.288 3.128 20 30 GGEDRN CS(=O)(=O)c1ccccc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000157973821 565151691 /nfs/dbraw/zinc/15/16/91/565151691.db2.gz FDCLXJWJVADWPT-ZDUSSCGKSA-N 0 0 383.256 3.392 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000268433776 565152369 /nfs/dbraw/zinc/15/23/69/565152369.db2.gz YNORUYNFENTEMW-LLVKDONJSA-N 0 0 376.247 3.006 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000268433779 565152510 /nfs/dbraw/zinc/15/25/10/565152510.db2.gz YNORUYNFENTEMW-NSHDSACASA-N 0 0 376.247 3.006 20 30 GGEDRN N#CCCCC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000293137439 565152472 /nfs/dbraw/zinc/15/24/72/565152472.db2.gz FHIVLWREAWGNBE-GFCCVEGCSA-N 0 0 379.176 3.311 20 30 GGEDRN COCCOc1ncccc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000158022395 565154037 /nfs/dbraw/zinc/15/40/37/565154037.db2.gz INGBZROTVDYYQQ-CQSZACIVSA-N 0 0 380.231 3.408 20 30 GGEDRN N#CCOc1ccccc1C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000370652176 565154128 /nfs/dbraw/zinc/15/41/28/565154128.db2.gz TWSSDNIQHIHBPI-UHFFFAOYSA-N 0 0 389.253 3.025 20 30 GGEDRN CCOc1cc(CNS(=O)(=O)c2cc(C#N)ccc2Cl)ccc1OC ZINC000184721301 565154291 /nfs/dbraw/zinc/15/42/91/565154291.db2.gz OUKQBTSOFXDTAS-UHFFFAOYSA-N 0 0 380.853 3.097 20 30 GGEDRN CN(C)S(=O)(=O)N(CCCC(C)(C)C#N)c1ccccc1Br ZINC000158130295 565156934 /nfs/dbraw/zinc/15/69/34/565156934.db2.gz LUXSYARYTWJRJM-UHFFFAOYSA-N 0 0 388.331 3.392 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)CCS(C)(=O)=O ZINC000268546472 565157059 /nfs/dbraw/zinc/15/70/59/565157059.db2.gz BAIQKMIAUKDLQM-ZDUSSCGKSA-N 0 0 383.539 3.416 20 30 GGEDRN COc1ccc(NS(=O)(=O)c2ccc(C#N)cc2F)c(Br)c1 ZINC000158123669 565157296 /nfs/dbraw/zinc/15/72/96/565157296.db2.gz TXOFRMRATIZKTM-UHFFFAOYSA-N 0 0 385.214 3.269 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)CCS(C)(=O)=O ZINC000268546470 565158031 /nfs/dbraw/zinc/15/80/31/565158031.db2.gz BAIQKMIAUKDLQM-CYBMUJFWSA-N 0 0 383.539 3.416 20 30 GGEDRN N#Cc1ccsc1NC(=O)CN(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158185349 565160087 /nfs/dbraw/zinc/16/00/87/565160087.db2.gz VCQMMFFIAVARFE-UHFFFAOYSA-N 0 0 384.288 3.360 20 30 GGEDRN C#CCSCCNC(=O)C1CCN(c2noc3ccc(Cl)cc32)CC1 ZINC000293317592 565161994 /nfs/dbraw/zinc/16/19/94/565161994.db2.gz ZYGXWVCNENJDCP-UHFFFAOYSA-N 0 0 377.897 3.180 20 30 GGEDRN C=C(C)COCCNC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000158249083 565162233 /nfs/dbraw/zinc/16/22/33/565162233.db2.gz SRJUQMNWBLEULQ-UHFFFAOYSA-N 0 0 393.285 3.408 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(F)ccc1Br ZINC000184867019 565162380 /nfs/dbraw/zinc/16/23/80/565162380.db2.gz PRJAHPALNPQUND-UHFFFAOYSA-N 0 0 385.214 3.269 20 30 GGEDRN CS[C@@H]1CCCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000158269030 565164169 /nfs/dbraw/zinc/16/41/69/565164169.db2.gz AUDAPVBQUZAQAE-GFCCVEGCSA-N 0 0 378.441 3.483 20 30 GGEDRN CS[C@H]1CCCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000158304844 565164918 /nfs/dbraw/zinc/16/49/18/565164918.db2.gz VJUBMGZZSRRZME-ZDUSSCGKSA-N 0 0 378.441 3.483 20 30 GGEDRN CS[C@H]1CCCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000158319913 565166590 /nfs/dbraw/zinc/16/65/90/565166590.db2.gz ODIJRBNWIUOISY-ZDUSSCGKSA-N 0 0 389.340 3.227 20 30 GGEDRN CS[C@@H]1CCCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000158319765 565166676 /nfs/dbraw/zinc/16/66/76/565166676.db2.gz ODIJRBNWIUOISY-CYBMUJFWSA-N 0 0 389.340 3.227 20 30 GGEDRN N#Cc1ccc(F)c(CNS(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000184952967 565167224 /nfs/dbraw/zinc/16/72/24/565167224.db2.gz RCOFASLUUJOVHM-UHFFFAOYSA-N 0 0 387.205 3.077 20 30 GGEDRN C=C(Br)CN1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000158431231 565170574 /nfs/dbraw/zinc/17/05/74/565170574.db2.gz HIIKPNKURUBWIQ-LBPRGKRZSA-N 0 0 393.281 3.209 20 30 GGEDRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185022995 565172070 /nfs/dbraw/zinc/17/20/70/565172070.db2.gz MGWTUFWNYODITB-MCFWBGNESA-N 0 0 396.921 3.331 20 30 GGEDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185023057 565173050 /nfs/dbraw/zinc/17/30/50/565173050.db2.gz MGWTUFWNYODITB-OIRASMEMSA-N 0 0 396.921 3.331 20 30 GGEDRN Cc1cc(Br)c(S(=O)(=O)N(C)[C@H](C)C#N)cc1Br ZINC000158607156 565175270 /nfs/dbraw/zinc/17/52/70/565175270.db2.gz PHARQPFUTRKLMJ-MRVPVSSYSA-N 0 0 396.104 3.053 20 30 GGEDRN N#CCN1CCC[C@@H](CNC(=O)CCCc2ccccc2Br)C1 ZINC000269049511 565176239 /nfs/dbraw/zinc/17/62/39/565176239.db2.gz ZORIPHDFMBNXGA-HNNXBMFYSA-N 0 0 378.314 3.124 20 30 GGEDRN CSC[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000269100587 565177130 /nfs/dbraw/zinc/17/71/30/565177130.db2.gz HXLPMUMQSPSMDW-KGLIPLIRSA-N 0 0 377.535 3.373 20 30 GGEDRN CSC[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000269098144 565177540 /nfs/dbraw/zinc/17/75/40/565177540.db2.gz HARCBMPANRILPQ-ZIAGYGMSSA-N 0 0 377.535 3.231 20 30 GGEDRN CSC[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000269100591 565177763 /nfs/dbraw/zinc/17/77/63/565177763.db2.gz HXLPMUMQSPSMDW-ZIAGYGMSSA-N 0 0 377.535 3.373 20 30 GGEDRN COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000158717183 565179029 /nfs/dbraw/zinc/17/90/29/565179029.db2.gz BMWCKBOSPNDDID-NSHDSACASA-N 0 0 378.837 3.038 20 30 GGEDRN Cc1cc(Br)c(F)cc1NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000185105176 565179018 /nfs/dbraw/zinc/17/90/18/565179018.db2.gz LSYACUOXFZRVMS-UHFFFAOYSA-N 0 0 390.212 3.137 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cc1F ZINC000293641061 565179185 /nfs/dbraw/zinc/17/91/85/565179185.db2.gz ZTJCFXSYWCCSLM-XJKSGUPXSA-N 0 0 380.466 3.036 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)cc1F ZINC000293641048 565179204 /nfs/dbraw/zinc/17/92/04/565179204.db2.gz ZTJCFXSYWCCSLM-CJNGLKHVSA-N 0 0 380.466 3.036 20 30 GGEDRN N#C[C@]1(NS(=O)(=O)c2cccc(Br)c2)CCc2ccccc2C1 ZINC000185144245 565181279 /nfs/dbraw/zinc/18/12/79/565181279.db2.gz MZDWNJBJTQDGQL-KRWDZBQOSA-N 0 0 391.290 3.179 20 30 GGEDRN C[C@H](O)C[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000185172113 565182847 /nfs/dbraw/zinc/18/28/47/565182847.db2.gz HJFAUZBPUHTFSR-BBRMVZONSA-N 0 0 378.881 3.045 20 30 GGEDRN C[C@H](O)C[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000185172153 565183206 /nfs/dbraw/zinc/18/32/06/565183206.db2.gz HJFAUZBPUHTFSR-XJKSGUPXSA-N 0 0 378.881 3.045 20 30 GGEDRN CCOc1ccc(Cl)cc1CCNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000158807287 565183426 /nfs/dbraw/zinc/18/34/26/565183426.db2.gz OXEHKGWSPBIKRH-UHFFFAOYSA-N 0 0 378.881 3.272 20 30 GGEDRN Cc1ncc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(Cl)c1Cl ZINC000293798379 565184296 /nfs/dbraw/zinc/18/42/96/565184296.db2.gz STRSRDOTVNRJBE-GFCCVEGCSA-N 0 0 377.231 3.257 20 30 GGEDRN N#Cc1cccc([C@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])CCO2)c1 ZINC000371288153 565186465 /nfs/dbraw/zinc/18/64/65/565186465.db2.gz WNCNVYYZANOOQB-OAHLLOKOSA-N 0 0 389.209 3.202 20 30 GGEDRN CCOC[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000158917104 565187700 /nfs/dbraw/zinc/18/77/00/565187700.db2.gz AMUKHVOJGLXKDL-GFCCVEGCSA-N 0 0 376.400 3.014 20 30 GGEDRN 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ZINC000173623982 565570894 /nfs/dbraw/zinc/57/08/94/565570894.db2.gz VWEHFGXLOJMMHO-CQSZACIVSA-N 0 0 380.206 3.130 20 30 GGEDRN N#CCCCS(=O)(=O)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000190937290 565571590 /nfs/dbraw/zinc/57/15/90/565571590.db2.gz VUSZQGTUIWRSJJ-UHFFFAOYSA-N 0 0 380.267 3.125 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CCc2c(Br)cccc2C1 ZINC000303668353 565572869 /nfs/dbraw/zinc/57/28/69/565572869.db2.gz YAHJUXJURSEVEX-UHFFFAOYSA-N 0 0 391.290 3.376 20 30 GGEDRN C=CCCN(C)S(=O)(=O)c1cc(Br)ccc1Br ZINC000303798095 565574108 /nfs/dbraw/zinc/57/41/08/565574108.db2.gz JCMWISJSNWJYBD-UHFFFAOYSA-N 0 0 383.105 3.408 20 30 GGEDRN C=CCn1c(SCc2nccc(OC)c2OC)nc2sccc2c1=O ZINC000190987397 565574826 /nfs/dbraw/zinc/57/48/26/565574826.db2.gz MBVFQGPNDOLSCZ-UHFFFAOYSA-N 0 0 375.475 3.349 20 30 GGEDRN C=CCn1c(SCCCCCS(=O)(=O)CC)nc2ccccc2c1=O ZINC000190976291 565575180 /nfs/dbraw/zinc/57/51/80/565575180.db2.gz LLIUBRQRTJDVNP-UHFFFAOYSA-N 0 0 380.535 3.280 20 30 GGEDRN CS(=O)(=O)N(CCSCc1cc(F)ccc1C#N)Cc1ccccc1 ZINC000191035789 565577919 /nfs/dbraw/zinc/57/79/19/565577919.db2.gz OADMHHCWABBDGP-UHFFFAOYSA-N 0 0 378.494 3.392 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2cnc(Br)c(C)c2)n1 ZINC000278817801 565578838 /nfs/dbraw/zinc/57/88/38/565578838.db2.gz OAHMVYRHYNXISO-UHFFFAOYSA-N 0 0 376.258 3.036 20 30 GGEDRN COc1cc(C)c(Br)cc1NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000191041152 565579970 /nfs/dbraw/zinc/57/99/70/565579970.db2.gz DIPGAGBTZWGJNX-UHFFFAOYSA-N 0 0 388.221 3.215 20 30 GGEDRN O=C(CC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)NCC(F)(F)F ZINC000278833348 565580006 /nfs/dbraw/zinc/58/00/06/565580006.db2.gz QJHUOJPTEBYFIA-NSHDSACASA-N 0 0 394.674 3.267 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N1CCCSc2ccc(F)cc21 ZINC000191074327 565580693 /nfs/dbraw/zinc/58/06/93/565580693.db2.gz FIJYQCJPDYQIFS-UHFFFAOYSA-N 0 0 378.450 3.397 20 30 GGEDRN COc1cc(Cl)c(S(=O)(=O)NCc2cc(C#N)ccc2F)cc1Cl ZINC000173742106 565581304 /nfs/dbraw/zinc/58/13/04/565581304.db2.gz RLETZCHYCVPHRZ-UHFFFAOYSA-N 0 0 389.235 3.491 20 30 GGEDRN N#Cc1ccc(F)c(CNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000173741624 565581504 /nfs/dbraw/zinc/58/15/04/565581504.db2.gz UUUZGIDTPGFEKQ-UHFFFAOYSA-N 0 0 376.306 3.334 20 30 GGEDRN CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278935607 565586181 /nfs/dbraw/zinc/58/61/81/565586181.db2.gz XVZPZOUFOLPHJI-MRXNPFEDSA-N 0 0 394.294 3.488 20 30 GGEDRN Cn1cc([C@@H]2CSCCN2Cc2ccc(C#N)cc2Br)cn1 ZINC000191186081 565587301 /nfs/dbraw/zinc/58/73/01/565587301.db2.gz UYCCAUXWFSLOPU-INIZCTEOSA-N 0 0 377.311 3.344 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccc(F)cc2Br)n1 ZINC000278960415 565587689 /nfs/dbraw/zinc/58/76/89/565587689.db2.gz BEVWZFKJMAFKSA-UHFFFAOYSA-N 0 0 379.233 3.472 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N(Cc2cccnc2)C2CC2)cc1Br ZINC000278964359 565587720 /nfs/dbraw/zinc/58/77/20/565587720.db2.gz BPVLNWVULOPBLS-UHFFFAOYSA-N 0 0 392.278 3.069 20 30 GGEDRN C[C@@H](CN(C)S(=O)(=O)CC1(C#N)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000191192673 565587844 /nfs/dbraw/zinc/58/78/44/565587844.db2.gz FFVZNJWPNRXCLN-NSHDSACASA-N 0 0 377.293 3.326 20 30 GGEDRN CCc1[nH]nc(C(=O)Nc2ncccc2OCCCC#N)c1Br ZINC000278974256 565587828 /nfs/dbraw/zinc/58/78/28/565587828.db2.gz FZRBPZMLAKSABF-UHFFFAOYSA-N 0 0 378.230 3.064 20 30 GGEDRN C=CCOCCCC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000173806566 565588636 /nfs/dbraw/zinc/58/86/36/565588636.db2.gz UGMXMFILNXGZSY-HNNXBMFYSA-N 0 0 381.314 3.374 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Cc2c[nH]c3cccc(Br)c23)n1 ZINC000278988336 565588925 /nfs/dbraw/zinc/58/89/25/565588925.db2.gz QRNSVMADQCVLMX-UHFFFAOYSA-N 0 0 399.292 3.351 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2cc(Br)c(F)cc2F)n1 ZINC000279008148 565590212 /nfs/dbraw/zinc/59/02/12/565590212.db2.gz TWVIYADGWHODRV-UHFFFAOYSA-N 0 0 382.208 3.219 20 30 GGEDRN C=CCC[C@@H](CO)NC(=O)c1ccc(I)c(Cl)c1 ZINC000315869506 565590483 /nfs/dbraw/zinc/59/04/83/565590483.db2.gz JCQSETFKDNOMGX-JTQLQIEISA-N 0 0 379.625 3.002 20 30 GGEDRN C=CCC[C@@H](CO)NC(=O)c1cc(Br)sc1Br ZINC000316423613 565591792 /nfs/dbraw/zinc/59/17/92/565591792.db2.gz ZZHBXMBPDYIVOJ-ZETCQYMHSA-N 0 0 383.105 3.330 20 30 GGEDRN C=CCC1(C(=O)NCCc2ccc(S(=O)(=O)N(CC)CC)s2)CCC1 ZINC000191265516 565592496 /nfs/dbraw/zinc/59/24/96/565592496.db2.gz FXOJKKIDWIVDJP-UHFFFAOYSA-N 0 0 384.567 3.184 20 30 GGEDRN C=CCN(Cc1cc(Br)c(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000191265620 565592616 /nfs/dbraw/zinc/59/26/16/565592616.db2.gz RKBDVBIMAQTEBQ-SECBINFHSA-N 0 0 384.748 3.339 20 30 GGEDRN CC1(C)CCCN(S(=O)(=O)c2cccc(Br)c2C#N)[C@H]1C#N ZINC000408115517 565595256 /nfs/dbraw/zinc/59/52/56/565595256.db2.gz OGIQKMFMNVSBIC-AWEZNQCLSA-N 0 0 382.283 3.024 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2c(F)ccc(Br)c2F)n1 ZINC000279130042 565596747 /nfs/dbraw/zinc/59/67/47/565596747.db2.gz NABQTJRIFMGRCY-UHFFFAOYSA-N 0 0 382.208 3.219 20 30 GGEDRN COC(=O)c1cccc(NC(=O)COc2ccccc2C#N)c1Br ZINC000191334476 565597833 /nfs/dbraw/zinc/59/78/33/565597833.db2.gz BNQHSCTYDLFHJN-UHFFFAOYSA-N 0 0 389.205 3.125 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1Br ZINC000408191000 565598424 /nfs/dbraw/zinc/59/84/24/565598424.db2.gz CATJQSNVFYGGAA-GHMZBOCLSA-N 0 0 387.274 3.271 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2cc(Br)ccc2F)n1 ZINC000279158004 565599356 /nfs/dbraw/zinc/59/93/56/565599356.db2.gz TWVGLILWBHPVIX-UHFFFAOYSA-N 0 0 379.233 3.472 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)NCc1cc(Br)ccc1F ZINC000319718346 565599515 /nfs/dbraw/zinc/59/95/15/565599515.db2.gz MCZNMXFVUWRKOX-UHFFFAOYSA-N 0 0 383.242 3.247 20 30 GGEDRN N#CC1CCN(S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000408236697 565600424 /nfs/dbraw/zinc/60/04/24/565600424.db2.gz QDBQPURUUXMUBT-UHFFFAOYSA-N 0 0 397.216 3.392 20 30 GGEDRN COc1ccc(NS(=O)(=O)c2ccc(C#N)c(C)c2)cc1Br ZINC000319787333 565600385 /nfs/dbraw/zinc/60/03/85/565600385.db2.gz SIBMHOURRGTOQS-UHFFFAOYSA-N 0 0 381.251 3.439 20 30 GGEDRN Cc1cc(CNC(=O)N2CCC(C#N)CC2)ccc1I ZINC000408234437 565600889 /nfs/dbraw/zinc/60/08/89/565600889.db2.gz FKIRASWIAFWFHV-UHFFFAOYSA-N 0 0 383.233 3.045 20 30 GGEDRN N#CC1CCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2O)CC1 ZINC000408275416 565601966 /nfs/dbraw/zinc/60/19/66/565601966.db2.gz ZBZIJQXSCXJJBS-UHFFFAOYSA-N 0 0 394.656 3.320 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCCc2ccc(Br)cc2)cc1Cl ZINC000320323008 565602238 /nfs/dbraw/zinc/60/22/38/565602238.db2.gz HGYVXEJFNTVZJS-UHFFFAOYSA-N 0 0 399.697 3.495 20 30 GGEDRN CS(=O)(=O)c1ccc(CNc2cc(Br)c(C#N)cc2F)cc1 ZINC000320707612 565603450 /nfs/dbraw/zinc/60/34/50/565603450.db2.gz PFBJPZTYEWHBHX-UHFFFAOYSA-N 0 0 383.242 3.475 20 30 GGEDRN Cc1ccc(S(=O)(=O)N(CCC#N)CC(F)(F)F)c(Br)c1 ZINC000173977581 565604252 /nfs/dbraw/zinc/60/42/52/565604252.db2.gz PLYAVVCDINACPE-UHFFFAOYSA-N 0 0 385.205 3.224 20 30 GGEDRN CS(=O)(=O)c1cc(NC(=O)CSCc2ccc(C#N)cc2)ccc1Cl ZINC000191450435 565605757 /nfs/dbraw/zinc/60/57/57/565605757.db2.gz ORDHJZBEOXODSA-UHFFFAOYSA-N 0 0 394.905 3.487 20 30 GGEDRN COC(=O)[C@H](c1cccc(Br)c1)N(C)Cc1cc(C#N)n(C)c1 ZINC000191452698 565606061 /nfs/dbraw/zinc/60/60/61/565606061.db2.gz XYURQNCFZJGUEV-INIZCTEOSA-N 0 0 376.254 3.005 20 30 GGEDRN N#CCSCCCSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1 ZINC000174012164 565606936 /nfs/dbraw/zinc/60/69/36/565606936.db2.gz FUQVWKAHLKCVNX-HNNXBMFYSA-N 0 0 381.571 3.186 20 30 GGEDRN COc1ccc(Br)c(S(=O)(=O)N2CCCC(C)(C)[C@H]2C#N)c1 ZINC000408401055 565607127 /nfs/dbraw/zinc/60/71/27/565607127.db2.gz AKTQAAZHWZCZMP-CQSZACIVSA-N 0 0 387.299 3.161 20 30 GGEDRN CC1(C)CCCN(S(=O)(=O)c2cc(F)ccc2Br)[C@@H]1C#N ZINC000408403146 565607259 /nfs/dbraw/zinc/60/72/59/565607259.db2.gz RYLGNILMIFQXMM-CYBMUJFWSA-N 0 0 375.263 3.291 20 30 GGEDRN CC1(C)CCCN(S(=O)(=O)c2ccc(F)c(Br)c2)[C@H]1C#N ZINC000408401253 565607558 /nfs/dbraw/zinc/60/75/58/565607558.db2.gz BTTXOFDXSAADME-ZDUSSCGKSA-N 0 0 375.263 3.291 20 30 GGEDRN N#Cc1ccc(CN2CCn3c(Br)cnc3C2)c(Br)c1 ZINC000279330251 565608359 /nfs/dbraw/zinc/60/83/59/565608359.db2.gz TWSRCZWEKLIIBA-UHFFFAOYSA-N 0 0 396.086 3.296 20 30 GGEDRN C=CCCO[C@@H](C)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000279324283 565608481 /nfs/dbraw/zinc/60/84/81/565608481.db2.gz NBXHNGCXZUHKFG-NSHDSACASA-N 0 0 380.242 3.097 20 30 GGEDRN C[C@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C(C)(C)C1 ZINC000408460889 565610408 /nfs/dbraw/zinc/61/04/08/565610408.db2.gz RXKQLACPJKQANU-SECBINFHSA-N 0 0 375.263 3.269 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1Br ZINC000408459230 565610554 /nfs/dbraw/zinc/61/05/54/565610554.db2.gz HXBDTOJJJSMQSN-HZMBPMFUSA-N 0 0 387.274 3.413 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H]3CCC[C@H]32)cc1Br ZINC000408459231 565610673 /nfs/dbraw/zinc/61/06/73/565610673.db2.gz HXBDTOJJJSMQSN-IINYFYTJSA-N 0 0 387.274 3.413 20 30 GGEDRN CC[C@H]1[C@@H](C)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000408459027 565611134 /nfs/dbraw/zinc/61/11/34/565611134.db2.gz HGWZTGKHGBBQFY-ZANVPECISA-N 0 0 375.263 3.269 20 30 GGEDRN N#Cc1cc(Br)ccc1CSc1nnnn1-c1ccc(O)cc1 ZINC000323291899 565612822 /nfs/dbraw/zinc/61/28/22/565612822.db2.gz ACKBOQOQCCJOKN-UHFFFAOYSA-N 0 0 388.250 3.294 20 30 GGEDRN C[C@@H](O/N=C/C(=O)Nc1ccccc1Br)c1nc(C2CC2)no1 ZINC000174103684 565613385 /nfs/dbraw/zinc/61/33/85/565613385.db2.gz PLFQJPYEBSURCI-YFEDRJBBSA-N 0 0 379.214 3.412 20 30 GGEDRN C=CCN(Cc1nc([C@@H](C)OCC(C)C)no1)S(=O)(=O)c1cccs1 ZINC000174107159 565613532 /nfs/dbraw/zinc/61/35/32/565613532.db2.gz NMSKQOGKDZJBLD-CYBMUJFWSA-N 0 0 385.511 3.242 20 30 GGEDRN N#Cc1cc(C#N)c(SCc2ccc(I)cc2)nc1N ZINC000174108101 565614624 /nfs/dbraw/zinc/61/46/24/565614624.db2.gz UKJRUKVNFATGIE-UHFFFAOYSA-N 0 0 392.225 3.304 20 30 GGEDRN N#CCN1CCN(Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000174136703 565615575 /nfs/dbraw/zinc/61/55/75/565615575.db2.gz KCLYEJZXYHIGJG-UHFFFAOYSA-N 0 0 377.311 3.214 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C ZINC000409478678 565618201 /nfs/dbraw/zinc/61/82/01/565618201.db2.gz SHMCPPLGOKRMFC-NSHDSACASA-N 0 0 376.309 3.393 20 30 GGEDRN CC1(C)C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C(C)(C)O1 ZINC000409482517 565618392 /nfs/dbraw/zinc/61/83/92/565618392.db2.gz FPKHFGPAAIQXEQ-CYBMUJFWSA-N 0 0 376.400 3.201 20 30 GGEDRN N#Cc1ccc(Br)c(CSc2nnnn2CC(F)(F)F)c1 ZINC000191622137 565618431 /nfs/dbraw/zinc/61/84/31/565618431.db2.gz IRXADFFNWKJDNI-UHFFFAOYSA-N 0 0 378.177 3.162 20 30 GGEDRN Cc1cnc([C@@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000409485235 565618547 /nfs/dbraw/zinc/61/85/47/565618547.db2.gz NORRWJWWDHAKCW-SECBINFHSA-N 0 0 375.397 3.382 20 30 GGEDRN Cc1ccc(CS(=O)(=O)Cc2cc(C#N)ccc2Br)c(C)n1 ZINC000191619096 565618505 /nfs/dbraw/zinc/61/85/05/565618505.db2.gz KWOQFVDGBRZISS-UHFFFAOYSA-N 0 0 379.279 3.448 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000409488067 565619337 /nfs/dbraw/zinc/61/93/37/565619337.db2.gz UIJHKFPJCHWAMT-OAHLLOKOSA-N 0 0 377.432 3.472 20 30 GGEDRN C[C@@H](C#N)CN(C)S(=O)(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000409495428 565619521 /nfs/dbraw/zinc/61/95/21/565619521.db2.gz WDUDLXFPGKVADD-LBPRGKRZSA-N 0 0 390.336 3.341 20 30 GGEDRN N#Cc1cccc(-n2ccc(C(=O)NCc3ccc(Br)cc3)n2)c1 ZINC000409489498 565619658 /nfs/dbraw/zinc/61/96/58/565619658.db2.gz ZBBHCCDTKWWFGB-UHFFFAOYSA-N 0 0 381.233 3.436 20 30 GGEDRN C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(Sc2ccccc2)cc1 ZINC000409491533 565619662 /nfs/dbraw/zinc/61/96/62/565619662.db2.gz ACXBMOUKLGPEOZ-HNNXBMFYSA-N 0 0 375.519 3.264 20 30 GGEDRN C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(Sc2ccccc2)cc1 ZINC000409491534 565619666 /nfs/dbraw/zinc/61/96/66/565619666.db2.gz ACXBMOUKLGPEOZ-OAHLLOKOSA-N 0 0 375.519 3.264 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)NCC(C)(C)c1cccc(Cl)c1F ZINC000409507427 565620229 /nfs/dbraw/zinc/62/02/29/565620229.db2.gz NJXHYQDQHBFSMN-GFCCVEGCSA-N 0 0 375.897 3.073 20 30 GGEDRN COCC(=O)Nc1ccc(OCc2cc(C#N)ccc2Br)cc1 ZINC000191685538 565620619 /nfs/dbraw/zinc/62/06/19/565620619.db2.gz JOCBECOVXLDKSV-UHFFFAOYSA-N 0 0 375.222 3.485 20 30 GGEDRN N#Cc1ccc(Br)c(CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 ZINC000191675522 565620689 /nfs/dbraw/zinc/62/06/89/565620689.db2.gz JZTFIIMOMLJGSI-IBGZPJMESA-N 0 0 396.244 3.214 20 30 GGEDRN C[C@@]1(c2cccs2)NC(=O)N(Cc2cc(C#N)ccc2Br)C1=O ZINC000191679510 565620773 /nfs/dbraw/zinc/62/07/73/565620773.db2.gz SCKLBNOSDTUVIX-INIZCTEOSA-N 0 0 390.262 3.349 20 30 GGEDRN N#Cc1ccc(Br)c(CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)c1 ZINC000191675780 565620775 /nfs/dbraw/zinc/62/07/75/565620775.db2.gz IEEBYGLQDQNJJE-KRWDZBQOSA-N 0 0 398.260 3.374 20 30 GGEDRN CNC(=O)COc1ccc(OCc2cc(C#N)ccc2Br)cc1 ZINC000191685692 565620799 /nfs/dbraw/zinc/62/07/99/565620799.db2.gz QIEJQOXVMMJREY-UHFFFAOYSA-N 0 0 375.222 3.025 20 30 GGEDRN N#CC1(C(=O)NCc2nc(-c3cccc(Br)c3)no2)CCCC1 ZINC000279577508 565621147 /nfs/dbraw/zinc/62/11/47/565621147.db2.gz MNKKJFQYQMEZLC-UHFFFAOYSA-N 0 0 375.226 3.199 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)[C@H](C)Oc1ccc(I)cc1 ZINC000409520264 565621722 /nfs/dbraw/zinc/62/17/22/565621722.db2.gz RAJYACQFTGWRNU-RYUDHWBXSA-N 0 0 386.233 3.067 20 30 GGEDRN N#Cc1cc(Br)ccc1NCC(=O)N[C@H]1CCOc2ccccc21 ZINC000409532702 565622038 /nfs/dbraw/zinc/62/20/38/565622038.db2.gz CLHLJHXZCVLAGB-INIZCTEOSA-N 0 0 386.249 3.373 20 30 GGEDRN C=CCOCCCC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000279610707 565622284 /nfs/dbraw/zinc/62/22/84/565622284.db2.gz QUQJNKLNULBDDQ-UHFFFAOYSA-N 0 0 380.242 3.098 20 30 GGEDRN N#Cc1ccc(NCC(=O)N[C@@H]2CCOc3ccccc32)c(Br)c1 ZINC000409523714 565622775 /nfs/dbraw/zinc/62/27/75/565622775.db2.gz VCMSVSWCHGBQSP-OAHLLOKOSA-N 0 0 386.249 3.373 20 30 GGEDRN N#Cc1ccc(CSCc2nnnn2CC(F)(F)F)c(Br)c1 ZINC000191706132 565622972 /nfs/dbraw/zinc/62/29/72/565622972.db2.gz JCZSJNWYTIUSQR-UHFFFAOYSA-N 0 0 392.204 3.303 20 30 GGEDRN Cc1csc(C(=O)Nc2ccn(CCC#N)n2)c1I ZINC000191704001 565623194 /nfs/dbraw/zinc/62/31/94/565623194.db2.gz KSOQRQKEPYUZEK-UHFFFAOYSA-N 0 0 386.218 3.024 20 30 GGEDRN COC(=O)c1cccc(NCC(=O)Nc2cccc(C#N)c2)c1Br ZINC000191705871 565623218 /nfs/dbraw/zinc/62/32/18/565623218.db2.gz DUCBBKADDHMYRF-UHFFFAOYSA-N 0 0 388.221 3.158 20 30 GGEDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NS(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409551064 565623457 /nfs/dbraw/zinc/62/34/57/565623457.db2.gz AZZOSKFDKQEINE-JSGCOSHPSA-N 0 0 378.523 3.105 20 30 GGEDRN Cc1sc(CNS(=O)(=O)N(C)C[C@@H](C)C#N)nc1-c1ccc(Cl)cc1 ZINC000409560500 565624308 /nfs/dbraw/zinc/62/43/08/565624308.db2.gz FYVMTNUPXAFVLJ-NSHDSACASA-N 0 0 398.941 3.198 20 30 GGEDRN N#Cc1cc(S(=O)(=O)NCc2ccc(F)c(F)c2)ccc1C(F)(F)F ZINC000409559051 565624359 /nfs/dbraw/zinc/62/43/59/565624359.db2.gz RQTXUOTXGNBGCY-UHFFFAOYSA-N 0 0 376.306 3.334 20 30 GGEDRN CCCN(Cc1c(F)cccc1Cl)S(=O)(=O)N(CC)C[C@H](C)C#N ZINC000409573048 565624426 /nfs/dbraw/zinc/62/44/26/565624426.db2.gz IJUZGSWZMJXNGR-CYBMUJFWSA-N 0 0 375.897 3.417 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000409560170 565624627 /nfs/dbraw/zinc/62/46/27/565624627.db2.gz BWIHJEJMSNZDAS-UHFFFAOYSA-N 0 0 398.941 3.342 20 30 GGEDRN CCC(CC)N(CCOC)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409572183 565624928 /nfs/dbraw/zinc/62/49/28/565624928.db2.gz YTGVMMYRWOVZDX-UHFFFAOYSA-N 0 0 378.416 3.403 20 30 GGEDRN CCCN(Cc1c(F)cccc1Cl)S(=O)(=O)N(CC)C[C@@H](C)C#N ZINC000409573049 565624991 /nfs/dbraw/zinc/62/49/91/565624991.db2.gz IJUZGSWZMJXNGR-ZDUSSCGKSA-N 0 0 375.897 3.417 20 30 GGEDRN CCCCCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000191726461 565625608 /nfs/dbraw/zinc/62/56/08/565625608.db2.gz SEDDRNDNEHQJIY-LLVKDONJSA-N 0 0 376.400 3.046 20 30 GGEDRN CCC[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000191725626 565625754 /nfs/dbraw/zinc/62/57/54/565625754.db2.gz NUFSKRFBFJXTBA-GHMZBOCLSA-N 0 0 376.400 3.044 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000409580387 565625914 /nfs/dbraw/zinc/62/59/14/565625914.db2.gz KZAIXYWFTFNNIP-OAHLLOKOSA-N 0 0 383.945 3.468 20 30 GGEDRN N#Cc1c(N)n[nH]c1CCCNC(=O)Nc1cccc(Cl)c1Br ZINC000191732516 565626425 /nfs/dbraw/zinc/62/64/25/565626425.db2.gz WAQMPFRRVOPSAS-UHFFFAOYSA-N 0 0 397.664 3.034 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000409589944 565626609 /nfs/dbraw/zinc/62/66/09/565626609.db2.gz ZQUSBJBYMOBCTJ-STQMWFEESA-N 0 0 377.432 3.425 20 30 GGEDRN CCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)N(C)C[C@H](C)C#N ZINC000409593430 565626641 /nfs/dbraw/zinc/62/66/41/565626641.db2.gz CODCTGUMDQDISG-OLZOCXBDSA-N 0 0 377.432 3.425 20 30 GGEDRN N#Cc1ccc(CNC(=O)N[C@H]2COc3cc(F)c(Br)cc32)cc1 ZINC000409599899 565626784 /nfs/dbraw/zinc/62/67/84/565626784.db2.gz GYSGXUUYUJTKBM-HNNXBMFYSA-N 0 0 390.212 3.393 20 30 GGEDRN COCCN(CCC#N)S(=O)(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000409591382 565626923 /nfs/dbraw/zinc/62/69/23/565626923.db2.gz KDOSPGTZXBTDBF-GFCCVEGCSA-N 0 0 394.324 3.093 20 30 GGEDRN N#Cc1cc(S(=O)(=O)NCc2ccc(F)cc2F)ccc1C(F)(F)F ZINC000409597637 565627038 /nfs/dbraw/zinc/62/70/38/565627038.db2.gz SOAFQNJMWIFNAB-UHFFFAOYSA-N 0 0 376.306 3.334 20 30 GGEDRN CC(C)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)N(C)C[C@H](C)C#N ZINC000409597048 565627110 /nfs/dbraw/zinc/62/71/10/565627110.db2.gz RILQLUUASXXZSN-CYBMUJFWSA-N 0 0 377.432 3.252 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000279681406 565627206 /nfs/dbraw/zinc/62/72/06/565627206.db2.gz SHQGTSJJZZZRKS-QGZVFWFLSA-N 0 0 394.269 3.344 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1 ZINC000326904799 565627369 /nfs/dbraw/zinc/62/73/69/565627369.db2.gz KHTWAMGGRYAKAR-UHFFFAOYSA-N 0 0 396.299 3.376 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000327101229 565628253 /nfs/dbraw/zinc/62/82/53/565628253.db2.gz OZLSJHBILHCQSK-UHFFFAOYSA-N 0 0 375.881 3.031 20 30 GGEDRN COc1ccccc1C[C@@H](C)N(C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000327224231 565628392 /nfs/dbraw/zinc/62/83/92/565628392.db2.gz VRZXISSIXGTNKU-CYBMUJFWSA-N 0 0 378.881 3.472 20 30 GGEDRN CS(=O)(=O)c1ccc(F)c(CNc2ccc(C#N)cc2Br)c1 ZINC000409650108 565630087 /nfs/dbraw/zinc/63/00/87/565630087.db2.gz GKPWUPIIBVNIEH-UHFFFAOYSA-N 0 0 383.242 3.475 20 30 GGEDRN N#Cc1ccc(Br)c(CN2CCCN(c3nccs3)CC2)c1 ZINC000191778085 565630615 /nfs/dbraw/zinc/63/06/15/565630615.db2.gz ZGXOWLJZVRVVOQ-UHFFFAOYSA-N 0 0 377.311 3.490 20 30 GGEDRN C#CCn1ccc(CN(CC)Cc2ccc(OC)c(OC)c2Br)n1 ZINC000279734658 565630674 /nfs/dbraw/zinc/63/06/74/565630674.db2.gz NUQFZUVKOUKOJA-UHFFFAOYSA-N 0 0 392.297 3.318 20 30 GGEDRN CN(Cc1cc(C#N)ccc1Br)C[C@@H](O)COCc1ccccc1 ZINC000191790088 565631999 /nfs/dbraw/zinc/63/19/99/565631999.db2.gz ATUMMFVNWXZZCC-GOSISDBHSA-N 0 0 389.293 3.330 20 30 GGEDRN COc1ccc([C@H](CO)N(C)Cc2cc(C#N)ccc2Br)cc1 ZINC000191790829 565632855 /nfs/dbraw/zinc/63/28/55/565632855.db2.gz ZWYOUDMEADGPBL-SFHVURJKSA-N 0 0 375.266 3.495 20 30 GGEDRN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cc(C#N)ccc1Br)CC2 ZINC000191794354 565633127 /nfs/dbraw/zinc/63/31/27/565633127.db2.gz IKFQIESVCVDBCI-IAGOWNOFSA-N 0 0 379.298 3.073 20 30 GGEDRN CN(Cc1cc(C#N)ccc1Br)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000191813157 565634497 /nfs/dbraw/zinc/63/44/97/565634497.db2.gz TWKGHRZLFCOBEP-HOTGVXAUSA-N 0 0 385.327 3.108 20 30 GGEDRN N#Cc1ccc(Br)c(CN2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000191806540 565634662 /nfs/dbraw/zinc/63/46/62/565634662.db2.gz XGAZWQDZAOUXLH-KRWDZBQOSA-N 0 0 379.298 3.481 20 30 GGEDRN C[C@@H]1CN(Cc2cc(C#N)ccc2Br)CCN1CC(F)(F)F ZINC000191818162 565635425 /nfs/dbraw/zinc/63/54/25/565635425.db2.gz FNDLTDMAQHBKIJ-LLVKDONJSA-N 0 0 376.220 3.389 20 30 GGEDRN O=C(N[C@H]1CCCN(CC(F)(F)F)C1)c1cc(Br)ccc1O ZINC000328596552 565635802 /nfs/dbraw/zinc/63/58/02/565635802.db2.gz BRFCOQUGKDGTSC-JTQLQIEISA-N 0 0 381.192 3.486 20 30 GGEDRN C[C@H](NC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)c1ccc(F)cc1Cl ZINC000328598037 565635909 /nfs/dbraw/zinc/63/59/09/565635909.db2.gz AWHVYGBQPMUKQR-IUIKQTSFSA-N 0 0 388.892 3.496 20 30 GGEDRN Cc1cc(Br)c(NC(=O)N2CCN3C(=O)CC[C@H]3C2)cc1Cl ZINC000328619591 565635933 /nfs/dbraw/zinc/63/59/33/565635933.db2.gz WBHYQWKNGKVHGL-JTQLQIEISA-N 0 0 386.677 3.263 20 30 GGEDRN CCOC(=O)[C@@H](NCc1cc(C#N)ccc1Br)c1cccc(O)c1 ZINC000191822829 565635923 /nfs/dbraw/zinc/63/59/23/565635923.db2.gz DRIRXGCTYXBOFH-KRWDZBQOSA-N 0 0 389.249 3.420 20 30 GGEDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000328599704 565636061 /nfs/dbraw/zinc/63/60/61/565636061.db2.gz CJNJZMQLNWFOEO-JJRVBVJISA-N 0 0 378.270 3.271 20 30 GGEDRN Cn1c(CC#N)nnc1SCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000279836052 565636400 /nfs/dbraw/zinc/63/64/00/565636400.db2.gz CNADSZRHNXGERM-UHFFFAOYSA-N 0 0 389.790 3.284 20 30 GGEDRN COc1cc(C(=O)N(CCC#N)CC(F)(F)F)cc(OC)c1Br ZINC000174437072 565636533 /nfs/dbraw/zinc/63/65/33/565636533.db2.gz IFTHGQOVIROLIO-UHFFFAOYSA-N 0 0 395.175 3.384 20 30 GGEDRN CC(=O)N[C@H](CC(=O)N(CCC#N)CC(F)(F)F)c1ccc(Cl)cc1 ZINC000174437035 565636808 /nfs/dbraw/zinc/63/68/08/565636808.db2.gz WAGUNQREECLRDH-CQSZACIVSA-N 0 0 375.778 3.212 20 30 GGEDRN N#CCCN(CC(F)(F)F)C(=O)c1cccc(I)c1 ZINC000174438010 565637081 /nfs/dbraw/zinc/63/70/81/565637081.db2.gz RCQXZBFPZFYMCZ-UHFFFAOYSA-N 0 0 382.123 3.209 20 30 GGEDRN N#CCCN(CC(F)(F)F)C(=O)c1ccccc1I ZINC000174437987 565637122 /nfs/dbraw/zinc/63/71/22/565637122.db2.gz CZBDZNOPNUCWJQ-UHFFFAOYSA-N 0 0 382.123 3.209 20 30 GGEDRN N#CCCN(CC(F)(F)F)C(=O)COc1ccc(Br)cc1F ZINC000174436873 565637134 /nfs/dbraw/zinc/63/71/34/565637134.db2.gz KNRTUPTUWORFIJ-UHFFFAOYSA-N 0 0 383.139 3.272 20 30 GGEDRN C[C@H](NCc1cc(C#N)ccc1Br)c1nnnn1-c1ccccc1 ZINC000191837909 565637221 /nfs/dbraw/zinc/63/72/21/565637221.db2.gz UDNVKKVTYOVNGA-LBPRGKRZSA-N 0 0 383.253 3.147 20 30 GGEDRN O=C(N[C@H]1CCOC2(CCOCC2)C1)c1cc(Br)cc2[nH]cnc21 ZINC000328653691 565637236 /nfs/dbraw/zinc/63/72/36/565637236.db2.gz LESDRBXWFMPUGM-LBPRGKRZSA-N 0 0 394.269 3.358 20 30 GGEDRN Cn1c(CNC(=O)C2(c3cncc(Br)c3)CC2)nnc1C1CCC1 ZINC000328680838 565638350 /nfs/dbraw/zinc/63/83/50/565638350.db2.gz USWBXPMFRKPRJQ-UHFFFAOYSA-N 0 0 390.285 3.428 20 30 GGEDRN C[C@H](NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21)[C@H]1CCCCO1 ZINC000328678465 565638520 /nfs/dbraw/zinc/63/85/20/565638520.db2.gz STHQDKHHJHGFPX-CUOATXAZSA-N 0 0 387.249 3.483 20 30 GGEDRN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)[C@H]1CCn2ccnc2C1 ZINC000328702779 565639220 /nfs/dbraw/zinc/63/92/20/565639220.db2.gz JTLQGTNMLKNPGC-TVQRCGJNSA-N 0 0 380.217 3.437 20 30 GGEDRN 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20 30 GGEDRN N#Cc1cn(Cc2nnc(-c3ccc(Br)o3)o2)c2ccccc2c1=O ZINC000193491196 565755497 /nfs/dbraw/zinc/75/54/97/565755497.db2.gz ZFAWQLGAIYMXCU-UHFFFAOYSA-N 0 0 397.188 3.327 20 30 GGEDRN CC(C)(C)[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCO1 ZINC000331325348 565755671 /nfs/dbraw/zinc/75/56/71/565755671.db2.gz OECYGXUVSLTPQK-AWEZNQCLSA-N 0 0 376.400 3.013 20 30 GGEDRN N#Cc1ccc(Cl)c(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000176205159 565757182 /nfs/dbraw/zinc/75/71/82/565757182.db2.gz GZRRMNUDTXJMIG-UHFFFAOYSA-N 0 0 375.837 3.287 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1F ZINC000411823306 565757652 /nfs/dbraw/zinc/75/76/52/565757652.db2.gz TTWSMRIDSNKVHS-CHWSQXEVSA-N 0 0 399.260 3.349 20 30 GGEDRN CN(C)c1noc([C@@H]2CCCN(c3ccc(Br)cc3C#N)C2)n1 ZINC000193506448 565757714 /nfs/dbraw/zinc/75/77/14/565757714.db2.gz REOKHKYJXDNYGF-LLVKDONJSA-N 0 0 376.258 3.154 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1CC ZINC000281971113 565758334 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C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(Br)c(C)c2F)C1=O ZINC000282071520 565763870 /nfs/dbraw/zinc/76/38/70/565763870.db2.gz WTYXAYVLQSWRRE-ZDUSSCGKSA-N 0 0 384.249 3.147 20 30 GGEDRN N#Cc1cc(F)c(C(=O)Nc2ccc(I)cn2)c(F)c1 ZINC000176324213 565764599 /nfs/dbraw/zinc/76/45/99/565764599.db2.gz OCTHDXVGDYZEHJ-UHFFFAOYSA-N 0 0 385.111 3.088 20 30 GGEDRN CC(C)CCN(CCC#N)C(=O)CNC(=O)c1ccc(Br)s1 ZINC000176321533 565764855 /nfs/dbraw/zinc/76/48/55/565764855.db2.gz GCWWRQADRMYSFY-UHFFFAOYSA-N 0 0 386.315 3.029 20 30 GGEDRN CC(C)(C)n1ncnc1COc1ccc(C#N)cc1I ZINC000282126320 565765660 /nfs/dbraw/zinc/76/56/60/565765660.db2.gz BYGNJKUXJMEXOL-UHFFFAOYSA-N 0 0 382.205 3.088 20 30 GGEDRN C[C@@](C#N)(NC(=O)CN(Cc1csc(Br)c1)C1CC1)C1CC1 ZINC000193619254 565765828 /nfs/dbraw/zinc/76/58/28/565765828.db2.gz VYQXWHIQTPOOTE-INIZCTEOSA-N 0 0 382.327 3.283 20 30 GGEDRN C=CC[C@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000193701364 565770508 /nfs/dbraw/zinc/77/05/08/565770508.db2.gz VJEUWOBPJVJZSS-QMMMGPOBSA-N 0 0 379.176 3.487 20 30 GGEDRN C=C[C@H](C)NC(=O)Cc1ccc(I)c(Br)c1 ZINC000412180974 565774051 /nfs/dbraw/zinc/77/40/51/565774051.db2.gz HNZTUKQINCCWNZ-QMMMGPOBSA-N 0 0 394.050 3.287 20 30 GGEDRN N#C[C@H]1CC[C@@H](NC(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000331649535 565774295 /nfs/dbraw/zinc/77/42/95/565774295.db2.gz UHCOAQAEVHSVOB-GHJWDPDVSA-N 0 0 396.260 3.363 20 30 GGEDRN C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000193785816 565775534 /nfs/dbraw/zinc/77/55/34/565775534.db2.gz NZKMBFGTFFWALT-MRVPVSSYSA-N 0 0 392.175 3.167 20 30 GGEDRN C=CCn1c(SC[C@H](O)COCC)nc2sc3c(c2c1=O)CCCC3 ZINC000193788130 565775567 /nfs/dbraw/zinc/77/55/67/565775567.db2.gz JMEYMVMTCKMQJU-GFCCVEGCSA-N 0 0 380.535 3.012 20 30 GGEDRN N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](CO)c2ccc(Br)cc2)c1 ZINC000412239224 565775524 /nfs/dbraw/zinc/77/55/24/565775524.db2.gz GCCAACFGVJXYJL-RCCFBDPRSA-N 0 0 385.261 3.274 20 30 GGEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000331666052 565776134 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Cc1csc([C@@H]2COCCN2C(=O)c2cccc(C#N)c2Br)n1 ZINC000331873653 565789860 /nfs/dbraw/zinc/78/98/60/565789860.db2.gz CXPSWXPSUHRYHE-ZDUSSCGKSA-N 0 0 392.278 3.299 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)NCc3cc(Cl)sc3Cl)CC2)nc1 ZINC000331885355 565790368 /nfs/dbraw/zinc/79/03/68/565790368.db2.gz QOWKTWCPAWRCQK-UHFFFAOYSA-N 0 0 396.303 3.353 20 30 GGEDRN N#C[C@H]1CC[C@@H](NC(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 ZINC000331891526 565790717 /nfs/dbraw/zinc/79/07/17/565790717.db2.gz XDJPIWGWXMBCQC-QWHCGFSZSA-N 0 0 397.342 3.030 20 30 GGEDRN C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](COC)C1 ZINC000282671202 565791602 /nfs/dbraw/zinc/79/16/02/565791602.db2.gz RXBBPYGXMPTFPI-NSHDSACASA-N 0 0 383.315 3.428 20 30 GGEDRN Cc1cc(Cl)c(S(=O)(=O)N(CCC#N)Cc2ccco2)cc1[N+](=O)[O-] ZINC000176652701 565792003 /nfs/dbraw/zinc/79/20/03/565792003.db2.gz TVDAADKOTSQCBW-UHFFFAOYSA-N 0 0 383.813 3.254 20 30 GGEDRN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000331924150 565792287 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COC(=O)[C@@H](Nc1cccc(I)c1)c1cccc(C#N)c1 ZINC000176708128 565796497 /nfs/dbraw/zinc/79/64/97/565796497.db2.gz HGQCFZCVJASEGG-HNNXBMFYSA-N 0 0 392.196 3.489 20 30 GGEDRN COC(=O)[C@@H](Nc1ccc(I)cc1)c1cccc(C#N)c1 ZINC000176707730 565796638 /nfs/dbraw/zinc/79/66/38/565796638.db2.gz CRTOBBVLMIUBHO-HNNXBMFYSA-N 0 0 392.196 3.489 20 30 GGEDRN N#CCCN(CC1CC1)S(=O)(=O)c1cc(Br)sc1Cl ZINC000331994454 565798314 /nfs/dbraw/zinc/79/83/14/565798314.db2.gz ZFMMBXLJRRCSSZ-UHFFFAOYSA-N 0 0 383.720 3.478 20 30 GGEDRN COC(=O)[C@H](NCc1ccc(F)cc1Br)c1cccc(C#N)c1 ZINC000176727016 565798632 /nfs/dbraw/zinc/79/86/32/565798632.db2.gz WVVXHRDEYJVGFU-MRXNPFEDSA-N 0 0 377.213 3.464 20 30 GGEDRN CO[C@@](C)([C@H](C)NC(=O)COc1cccc(Br)c1C#N)C1CC1 ZINC000412605415 565799382 /nfs/dbraw/zinc/79/93/82/565799382.db2.gz VQPJJHVBBQNSHM-GTNSWQLSSA-N 0 0 381.270 3.019 20 30 GGEDRN COC(=O)[C@@H](NCc1cc(Br)ccc1OC)c1cccc(C#N)c1 ZINC000176745366 565799411 /nfs/dbraw/zinc/79/94/11/565799411.db2.gz QMJBZYIPKWBPJU-KRWDZBQOSA-N 0 0 389.249 3.333 20 30 GGEDRN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000332032264 565800315 /nfs/dbraw/zinc/80/03/15/565800315.db2.gz JZZHKOBLGYDQEZ-HSMVNMDESA-N 0 0 390.281 3.439 20 30 GGEDRN COC(=O)[C@H](NCc1ccc(OC)c(Br)c1)c1cccc(C#N)c1 ZINC000176746904 565800666 /nfs/dbraw/zinc/80/06/66/565800666.db2.gz IFTPHKCBQQKSQR-QGZVFWFLSA-N 0 0 389.249 3.333 20 30 GGEDRN CC1(C#N)CN(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000332029774 565801004 /nfs/dbraw/zinc/80/10/04/565801004.db2.gz YRGRCDQIBIBDAM-UHFFFAOYSA-N 0 0 383.189 3.002 20 30 GGEDRN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2Br)[C@H]2CCCC[C@@H]12 ZINC000332041971 565802032 /nfs/dbraw/zinc/80/20/32/565802032.db2.gz KWPKKSQGLJYVQW-ZLDLUXBVSA-N 0 0 390.281 3.296 20 30 GGEDRN COCCCn1nccc1/C=C/C(=O)c1ccccc1I ZINC000282923455 565802706 /nfs/dbraw/zinc/80/27/06/565802706.db2.gz HTKAWLKNNGXXFO-BQYQJAHWSA-N 0 0 396.228 3.420 20 30 GGEDRN C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)c2cc(Br)ccc2O1 ZINC000194256738 565805243 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VPGFPLHHOVBDMU-QWHCGFSZSA-N 0 0 391.309 3.476 20 30 GGEDRN CC(C)n1cc2c(n1)C[C@H](NC(=O)c1cccc(C#N)c1Br)CC2 ZINC000450145571 566638386 /nfs/dbraw/zinc/63/83/86/566638386.db2.gz RQKSRVZOZCJNDT-CQSZACIVSA-N 0 0 387.281 3.385 20 30 GGEDRN CN1c2cc(Br)ccc2N(S(=O)(=O)CC2(C#N)CC2)CC1(C)C ZINC000579786065 566638575 /nfs/dbraw/zinc/63/85/75/566638575.db2.gz BGQVYQVRSJGZSJ-UHFFFAOYSA-N 0 0 398.326 3.117 20 30 GGEDRN Cc1nc(CCNC(=O)COc2cccc(Br)c2C#N)sc1C ZINC000450135982 566638605 /nfs/dbraw/zinc/63/86/05/566638605.db2.gz VHZFWAIZSCCKTC-UHFFFAOYSA-N 0 0 394.294 3.132 20 30 GGEDRN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(CC#N)cc1 ZINC000514059807 566639174 /nfs/dbraw/zinc/63/91/74/566639174.db2.gz WRSPZPFRCRPSQG-SNVBAGLBSA-N 0 0 392.278 3.334 20 30 GGEDRN C[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1cc2c(cc1Br)OCCO2 ZINC000425417225 566641872 /nfs/dbraw/zinc/64/18/72/566641872.db2.gz JUFIVWNLDODNOK-GRYCIOLGSA-N 0 0 394.269 3.273 20 30 GGEDRN N#Cc1c(Br)cccc1OCC(=O)N[C@H](CCO)C1CCCCC1 ZINC000450193494 566642743 /nfs/dbraw/zinc/64/27/43/566642743.db2.gz NLEVXXGCGDBCDG-MRXNPFEDSA-N 0 0 395.297 3.147 20 30 GGEDRN COc1ccc(Br)cc1CN(C)c1nc2c(cc1C#N)COCC2 ZINC000450212132 566644252 /nfs/dbraw/zinc/64/42/52/566644252.db2.gz CEZMPNTXWNQUMF-UHFFFAOYSA-N 0 0 388.265 3.433 20 30 GGEDRN N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000425448650 566644975 /nfs/dbraw/zinc/64/49/75/566644975.db2.gz RVJYZBLGWXTVMD-CFVMTHIKSA-N 0 0 377.286 3.019 20 30 GGEDRN C=CCCCCCN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000606816591 566645154 /nfs/dbraw/zinc/64/51/54/566645154.db2.gz CMPZCMNBTBNLFJ-INIZCTEOSA-N 0 0 384.567 3.414 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)Cn1cc(-c2ccc(Br)cc2)cn1 ZINC000579852613 566645087 /nfs/dbraw/zinc/64/50/87/566645087.db2.gz REJZHCKJPACPFG-ZDUSSCGKSA-N 0 0 375.270 3.321 20 30 GGEDRN C=CCn1cc(CNC(=O)N[C@@H](CC)Cc2ccccc2Br)nn1 ZINC000425461528 566645339 /nfs/dbraw/zinc/64/53/39/566645339.db2.gz BWZNLPCNSNQNTI-AWEZNQCLSA-N 0 0 392.301 3.047 20 30 GGEDRN COc1ccc([C@H](C)Nc2nc3c(cc2C#N)COCC3)cc1Br ZINC000450227846 566645425 /nfs/dbraw/zinc/64/54/25/566645425.db2.gz KVGAUBHPFBMQPG-NSHDSACASA-N 0 0 388.265 3.392 20 30 GGEDRN CS(=O)(=O)C[C@@H](NCc1ccc(Br)cc1C#N)c1ccccc1 ZINC000579868675 566646040 /nfs/dbraw/zinc/64/60/40/566646040.db2.gz FRUDATPZCZHQCC-QGZVFWFLSA-N 0 0 393.306 3.196 20 30 GGEDRN N#Cc1cccc(CNC(=O)CNc2cc(F)c(Br)c(F)c2)c1 ZINC000540339337 566646939 /nfs/dbraw/zinc/64/69/39/566646939.db2.gz AGQXXHKDEBWOHD-UHFFFAOYSA-N 0 0 380.192 3.327 20 30 GGEDRN N#CC[C@@H](O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1 ZINC000487098613 566647563 /nfs/dbraw/zinc/64/75/63/566647563.db2.gz IOSXDPKQPWJEEI-GFCCVEGCSA-N 0 0 375.837 3.058 20 30 GGEDRN COC(=O)c1cnc([C@@H](C)NCc2ccc(Br)cc2C#N)s1 ZINC000425481898 566648688 /nfs/dbraw/zinc/64/86/88/566648688.db2.gz GNUFJGHABYLBIF-SECBINFHSA-N 0 0 380.267 3.415 20 30 GGEDRN C=CCSCCNC(=O)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000560671435 566649055 /nfs/dbraw/zinc/64/90/55/566649055.db2.gz SBZHXRXMCNQPRC-NSHDSACASA-N 0 0 375.321 3.249 20 30 GGEDRN N#Cc1cc(Br)cnc1NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000450248614 566649653 /nfs/dbraw/zinc/64/96/53/566649653.db2.gz XYFHSYJTVTWNLV-KRWDZBQOSA-N 0 0 387.281 3.201 20 30 GGEDRN CN(CCNC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F)CC(F)(F)F ZINC000487121019 566649769 /nfs/dbraw/zinc/64/97/69/566649769.db2.gz DYUJBJVSGATVAA-NSHDSACASA-N 0 0 375.288 3.222 20 30 GGEDRN CCc1ccc(C(=O)N2CCN(c3ncc(Br)cc3C#N)CC2)cc1 ZINC000450245813 566649890 /nfs/dbraw/zinc/64/98/90/566649890.db2.gz JAKCRUZYOZIXDH-UHFFFAOYSA-N 0 0 399.292 3.241 20 30 GGEDRN CC[C@H](C)NC(=O)c1cccc(CNc2ncc(Br)cc2C#N)c1 ZINC000450253082 566650038 /nfs/dbraw/zinc/65/00/38/566650038.db2.gz MEXSODQVLUKERD-LBPRGKRZSA-N 0 0 387.281 3.278 20 30 GGEDRN N#C[C@@H]1CSCCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000540431968 566650077 /nfs/dbraw/zinc/65/00/77/566650077.db2.gz RLHAMGQPAPEZFH-SNVBAGLBSA-N 0 0 378.807 3.023 20 30 GGEDRN N#C[C@H]1CSCCN1C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000540430941 566650210 /nfs/dbraw/zinc/65/02/10/566650210.db2.gz UPUWTVHWOUTIPD-AWEZNQCLSA-N 0 0 393.921 3.386 20 30 GGEDRN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc(C#N)n1C ZINC000450256071 566650363 /nfs/dbraw/zinc/65/03/63/566650363.db2.gz FFPHCBCRVMMZDJ-PXAZEXFGSA-N 0 0 388.265 3.261 20 30 GGEDRN N#C[C@H]1CSCCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000540431967 566650350 /nfs/dbraw/zinc/65/03/50/566650350.db2.gz RLHAMGQPAPEZFH-JTQLQIEISA-N 0 0 378.807 3.023 20 30 GGEDRN N#Cc1c(Br)cccc1OCC(=O)N1CC=C(C(F)(F)F)CC1 ZINC000450258624 566650512 /nfs/dbraw/zinc/65/05/12/566650512.db2.gz RZRWYJCSAXLCLO-UHFFFAOYSA-N 0 0 389.171 3.421 20 30 GGEDRN N#C[C@]1(c2nc(Cc3cc(Br)c[nH]c3=O)no2)CC12CCCC2 ZINC000579920606 566650505 /nfs/dbraw/zinc/65/05/05/566650505.db2.gz VVNPMSRSRHYFDV-INIZCTEOSA-N 0 0 375.226 3.249 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C ZINC000450257891 566650723 /nfs/dbraw/zinc/65/07/23/566650723.db2.gz NYMPFBBDBLZTOZ-VDNDLQMASA-N 0 0 380.282 3.329 20 30 GGEDRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCSC[C@H]1C#N ZINC000540430343 566650804 /nfs/dbraw/zinc/65/08/04/566650804.db2.gz OKTVUPQMZPPEPH-GDBMZVCRSA-N 0 0 397.338 3.112 20 30 GGEDRN C=CC[C@H](CO)CNC(=O)c1cc(Br)sc1Br ZINC000540421958 566650835 /nfs/dbraw/zinc/65/08/35/566650835.db2.gz KXLZHTSOOMUDSW-ZETCQYMHSA-N 0 0 383.105 3.188 20 30 GGEDRN O=C(NCC1(CF)CCOCC1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000653106357 566651570 /nfs/dbraw/zinc/65/15/70/566651570.db2.gz QOGANWPFIIKFIW-NXEZZACHSA-N 0 0 380.304 3.135 20 30 GGEDRN Cc1sc2nc(C)nc(SCC(=O)N3CCSC[C@H]3C#N)c2c1C ZINC000540449958 566652142 /nfs/dbraw/zinc/65/21/42/566652142.db2.gz JODJWGWZEADWFD-GFCCVEGCSA-N 0 0 378.548 3.176 20 30 GGEDRN N#Cc1cncc(S(=O)(=O)N2CCc3cc(Cl)cc(Br)c32)c1 ZINC000579941356 566652760 /nfs/dbraw/zinc/65/27/60/566652760.db2.gz PKZLYICSOISUPH-UHFFFAOYSA-N 0 0 398.669 3.121 20 30 GGEDRN C=CCN1CC[C@H](N(C)Cc2cc(Br)c(OCC)c(OC)c2)C1=O ZINC000467517011 566652769 /nfs/dbraw/zinc/65/27/69/566652769.db2.gz QQHUVSWBSDPRBY-HNNXBMFYSA-N 0 0 397.313 3.075 20 30 GGEDRN CO[C@H](c1ccccc1F)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000540483918 566653264 /nfs/dbraw/zinc/65/32/64/566653264.db2.gz WQXOLLPXFDXLAZ-GTNSWQLSSA-N 0 0 382.844 3.405 20 30 GGEDRN CO[C@@H](c1ccccc1F)[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000540483919 566653371 /nfs/dbraw/zinc/65/33/71/566653371.db2.gz WQXOLLPXFDXLAZ-PIGZYNQJSA-N 0 0 382.844 3.405 20 30 GGEDRN COc1ccc(COCCCNc2ncc(Br)cc2C#N)cc1 ZINC000450299591 566654340 /nfs/dbraw/zinc/65/43/40/566654340.db2.gz BKAQMYQQOKGOGK-UHFFFAOYSA-N 0 0 376.254 3.165 20 30 GGEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCOc2c(Br)cccc2C1 ZINC000653154806 566654533 /nfs/dbraw/zinc/65/45/33/566654533.db2.gz ZSPLSIVHFXWGRP-CABCVRRESA-N 0 0 381.270 3.087 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000540490114 566654547 /nfs/dbraw/zinc/65/45/47/566654547.db2.gz MPCCKDGEYNPWDV-CYBMUJFWSA-N 0 0 382.302 3.223 20 30 GGEDRN N#Cc1ccc(OCC(=O)N2CCc3ccsc3C2)cc1Br ZINC000450292317 566654675 /nfs/dbraw/zinc/65/46/75/566654675.db2.gz XSLIPCCCYREYFP-UHFFFAOYSA-N 0 0 377.263 3.346 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cc(SC)ccc2C)c1 ZINC000540497854 566654828 /nfs/dbraw/zinc/65/48/28/566654828.db2.gz HBXNENZQPJXHNP-UHFFFAOYSA-N 0 0 376.503 3.434 20 30 GGEDRN CC(C)(C)[C@H]1C[C@H](NC(=O)COc2cccc(Br)c2C#N)CCO1 ZINC000450308756 566655308 /nfs/dbraw/zinc/65/53/08/566655308.db2.gz OERSQHMGALSYRZ-MLGOLLRUSA-N 0 0 395.297 3.409 20 30 GGEDRN C[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CCN1CC(F)(F)F ZINC000450304467 566655349 /nfs/dbraw/zinc/65/53/49/566655349.db2.gz QWZFFYYRNFFJIH-JTQLQIEISA-N 0 0 390.203 3.029 20 30 GGEDRN C=CCSCCNC(=O)C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1 ZINC000467581844 566655580 /nfs/dbraw/zinc/65/55/80/566655580.db2.gz AFHXFYDUMAGNMR-UHFFFAOYSA-N 0 0 377.293 3.366 20 30 GGEDRN CC(C)(C)[C@H]1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CCO1 ZINC000450307699 566655485 /nfs/dbraw/zinc/65/54/85/566655485.db2.gz HMNVIUBCJFXCAU-CZUORRHYSA-N 0 0 395.297 3.409 20 30 GGEDRN C=CCCn1cc(C(=O)N2C[C@H](C)Oc3ccc(Br)cc32)nn1 ZINC000425563684 566655752 /nfs/dbraw/zinc/65/57/52/566655752.db2.gz DQLDWNLDXZESIA-NSHDSACASA-N 0 0 377.242 3.044 20 30 GGEDRN CC(C)(C)[C@H]1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)CCO1 ZINC000450308754 566655805 /nfs/dbraw/zinc/65/58/05/566655805.db2.gz OERSQHMGALSYRZ-BLLLJJGKSA-N 0 0 395.297 3.409 20 30 GGEDRN CC(C)(C)[C@@H]1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)CCO1 ZINC000450308755 566655936 /nfs/dbraw/zinc/65/59/36/566655936.db2.gz OERSQHMGALSYRZ-LRDDRELGSA-N 0 0 395.297 3.409 20 30 GGEDRN C=CCn1cc(CNC(=O)N[C@@H](CC)c2cc(F)cc(Br)c2)nn1 ZINC000425567521 566656007 /nfs/dbraw/zinc/65/60/07/566656007.db2.gz SUTGCFQJNZDUNX-HNNXBMFYSA-N 0 0 396.264 3.316 20 30 GGEDRN C=CCC(CC=C)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000487224225 566656670 /nfs/dbraw/zinc/65/66/70/566656670.db2.gz CVQKJAGVDSUKKL-MRXNPFEDSA-N 0 0 377.282 3.439 20 30 GGEDRN Cc1ccccc1CNS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000580002960 566656790 /nfs/dbraw/zinc/65/67/90/566656790.db2.gz YYKGFQHTKJZRKT-UHFFFAOYSA-N 0 0 383.242 3.247 20 30 GGEDRN CSCC[C@@](C)(C#N)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000580005695 566656847 /nfs/dbraw/zinc/65/68/47/566656847.db2.gz SOAUGQZPWGQWFF-KRWDZBQOSA-N 0 0 378.885 3.474 20 30 GGEDRN N#Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1Br ZINC000514630213 566657039 /nfs/dbraw/zinc/65/70/39/566657039.db2.gz JBQZSOIRVMDXNJ-UHFFFAOYSA-N 0 0 386.249 3.410 20 30 GGEDRN C=CCCOCCCCC(=O)N1CCNC(=O)c2ccc(Br)cc21 ZINC000425575078 566657509 /nfs/dbraw/zinc/65/75/09/566657509.db2.gz RNWSHBHPVNXRDZ-UHFFFAOYSA-N 0 0 395.297 3.289 20 30 GGEDRN N#CC1(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCCCC1 ZINC000487226359 566657756 /nfs/dbraw/zinc/65/77/56/566657756.db2.gz GPQHYCKTOOBFCQ-OAHLLOKOSA-N 0 0 390.281 3.145 20 30 GGEDRN N#CC1(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CCCCC1 ZINC000487226357 566658210 /nfs/dbraw/zinc/65/82/10/566658210.db2.gz GPQHYCKTOOBFCQ-HNNXBMFYSA-N 0 0 390.281 3.145 20 30 GGEDRN CC(C)(C)C(=O)NC[C@@H]1CCCN(c2ncc(Br)cc2C#N)C1 ZINC000450331539 566659106 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Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000609634322 566778675 /nfs/dbraw/zinc/77/86/75/566778675.db2.gz FAQGKKULZJTMHE-INIZCTEOSA-N 0 0 375.519 3.044 20 30 GGEDRN Cc1cc(NC(=O)c2ccc(Br)c3c2OCCC3)n(CCC#N)n1 ZINC000516700843 566778935 /nfs/dbraw/zinc/77/89/35/566778935.db2.gz DBXWDYBANAHCEC-UHFFFAOYSA-N 0 0 389.253 3.445 20 30 GGEDRN C[C@]1(c2ccccc2Br)NC(=O)N(Cc2ccc(CC#N)cc2)C1=O ZINC000542194837 566781790 /nfs/dbraw/zinc/78/17/90/566781790.db2.gz BRYOWYUYBZAHHD-LJQANCHMSA-N 0 0 398.260 3.482 20 30 GGEDRN Cc1ccnc(NCc2ccc(Br)cc2N2CCOCC2)c1C#N ZINC000542207536 566782448 /nfs/dbraw/zinc/78/24/48/566782448.db2.gz KNSMZNHKNIEGAT-UHFFFAOYSA-N 0 0 387.281 3.473 20 30 GGEDRN CS[C@@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(C)(C)C ZINC000542202961 566782583 /nfs/dbraw/zinc/78/25/83/566782583.db2.gz INDBVMPXYRSDHF-INIZCTEOSA-N 0 0 382.551 3.272 20 30 GGEDRN Cc1onc(CC(=O)NCC2(c3ccccc3Br)CCC2)c1C#N ZINC000581506133 566782622 /nfs/dbraw/zinc/78/26/22/566782622.db2.gz 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C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1c(C)cc(Br)cc1OC ZINC000427683618 566788182 /nfs/dbraw/zinc/78/81/82/566788182.db2.gz XATQXBVNTDJVOQ-CYBMUJFWSA-N 0 0 381.270 3.272 20 30 GGEDRN N#Cc1c(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)nc2n1CCS2 ZINC000609814569 566788617 /nfs/dbraw/zinc/78/86/17/566788617.db2.gz IXEMVAYSGZOTOV-VXGBXAGGSA-N 0 0 389.278 3.365 20 30 GGEDRN CC(C)(C)S(=O)(=O)Cc1ccc(NS(=O)(=O)CCC(C)(C)C#N)cc1 ZINC000581551262 566788848 /nfs/dbraw/zinc/78/88/48/566788848.db2.gz HIESGUPMLIUCSE-UHFFFAOYSA-N 0 0 386.539 3.081 20 30 GGEDRN COc1cc(Br)ccc1OC[C@H](O)COc1ccc(CC#N)cc1 ZINC000489456549 566789174 /nfs/dbraw/zinc/78/91/74/566789174.db2.gz JDORMJQBOZHRRQ-OAHLLOKOSA-N 0 0 392.249 3.342 20 30 GGEDRN C=C(C)CN(CC)C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000516888288 566789543 /nfs/dbraw/zinc/78/95/43/566789543.db2.gz SAIORYKSDRUDIS-GFCCVEGCSA-N 0 0 383.286 3.060 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1Cl)c1nc(C(C)(C)C)no1 ZINC000451284975 566789494 /nfs/dbraw/zinc/78/94/94/566789494.db2.gz 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N#CCc1ccc(S(=O)(=O)N2CCC(c3ccncc3)CC2)c(Cl)c1 ZINC000451463484 566822175 /nfs/dbraw/zinc/82/21/75/566822175.db2.gz LEJWXZUYFMVWQF-UHFFFAOYSA-N 0 0 375.881 3.369 20 30 GGEDRN CN(Cc1ccc(Br)c(F)c1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451461336 566822487 /nfs/dbraw/zinc/82/24/87/566822487.db2.gz ILNZDKOQVAEVSB-UHFFFAOYSA-N 0 0 375.263 3.044 20 30 GGEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H](C)c2ccc(Br)s2)CC1 ZINC000610291920 566822726 /nfs/dbraw/zinc/82/27/26/566822726.db2.gz XKDWVEYFAHHRTR-QWHCGFSZSA-N 0 0 384.343 3.306 20 30 GGEDRN CN(Cc1ccc(F)cc1Br)S(=O)(=O)CC1(CC#N)CC1 ZINC000451465198 566823196 /nfs/dbraw/zinc/82/31/96/566823196.db2.gz WTBJNGXULGZRMU-UHFFFAOYSA-N 0 0 375.263 3.044 20 30 GGEDRN CN(Cc1ccc(Br)c(F)c1)S(=O)(=O)CC(C)(C)CC#N ZINC000451468062 566823597 /nfs/dbraw/zinc/82/35/97/566823597.db2.gz RDRVKGWLDFVNBJ-UHFFFAOYSA-N 0 0 377.279 3.290 20 30 GGEDRN N#Cc1ccc(N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)nc1N ZINC000517391015 566823816 /nfs/dbraw/zinc/82/38/16/566823816.db2.gz 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566827113 /nfs/dbraw/zinc/82/71/13/566827113.db2.gz RJICALFTSHHGGI-SNVBAGLBSA-N 0 0 392.196 3.359 20 30 GGEDRN N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)nc1 ZINC000490052744 566827648 /nfs/dbraw/zinc/82/76/48/566827648.db2.gz HUMZRSHZDNECCW-CYBMUJFWSA-N 0 0 398.271 3.102 20 30 GGEDRN C=CCSCCNC(=O)[C@](N)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000490055431 566827856 /nfs/dbraw/zinc/82/78/56/566827856.db2.gz CECOGHVIIAMMJZ-CYBMUJFWSA-N 0 0 386.361 3.457 20 30 GGEDRN Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1Br ZINC000610387017 566827914 /nfs/dbraw/zinc/82/79/14/566827914.db2.gz TUONOIDEMZLELY-LBPRGKRZSA-N 0 0 386.249 3.445 20 30 GGEDRN Cc1csc([C@@H]2CN(C(=O)c3cccc(C#N)c3Br)CCO2)n1 ZINC000451504489 566828115 /nfs/dbraw/zinc/82/81/15/566828115.db2.gz SRXQUYJEQWDZTD-ZDUSSCGKSA-N 0 0 392.278 3.299 20 30 GGEDRN N#CCC1(CS(=O)(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000451498098 566828215 /nfs/dbraw/zinc/82/82/15/566828215.db2.gz NJGURVYDBAFPSE-ZDUSSCGKSA-N 0 0 396.818 3.005 20 30 GGEDRN C[C@@H](NC(=O)C(=O)N1CCc2ccc(Br)cc21)c1cccc(C#N)c1 ZINC000610386733 566828525 /nfs/dbraw/zinc/82/85/25/566828525.db2.gz KFJHETRAPFINFM-GFCCVEGCSA-N 0 0 398.260 3.087 20 30 GGEDRN Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610386918 566828743 /nfs/dbraw/zinc/82/87/43/566828743.db2.gz PLAWNFYZXJUZNW-LBPRGKRZSA-N 0 0 386.249 3.445 20 30 GGEDRN C=C1CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC1 ZINC000517482132 566828764 /nfs/dbraw/zinc/82/87/64/566828764.db2.gz AVLZFZDFNCFOQH-UHFFFAOYSA-N 0 0 382.532 3.080 20 30 GGEDRN C=CCN(C)C(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC000490068478 566828798 /nfs/dbraw/zinc/82/87/98/566828798.db2.gz RYKNOBPQTPOXKL-UHFFFAOYSA-N 0 0 389.175 3.307 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2CCC(F)(F)C2)cc1Br ZINC000451496844 566828877 /nfs/dbraw/zinc/82/88/77/566828877.db2.gz KNLBCTGKMWZLJT-MRVPVSSYSA-N 0 0 397.216 3.174 20 30 GGEDRN C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C(F)(F)F)O1 ZINC000610413551 566829716 /nfs/dbraw/zinc/82/97/16/566829716.db2.gz 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CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2ccc(Cl)cc2C#N)CC1 ZINC000610654919 566850777 /nfs/dbraw/zinc/85/07/77/566850777.db2.gz ILAYAWBDSLGNRL-GFCCVEGCSA-N 0 0 380.897 3.494 20 30 GGEDRN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)NC1CCN(CC#N)CC1 ZINC000610656690 566850810 /nfs/dbraw/zinc/85/08/10/566850810.db2.gz FPHHNBKPIWEDMQ-UHFFFAOYSA-N 0 0 383.926 3.129 20 30 GGEDRN C=CCn1c([C@H]2CCOC2)nnc1N1CCc2c(Br)cccc2C1 ZINC000582329369 566851161 /nfs/dbraw/zinc/85/11/61/566851161.db2.gz OAXKFROCIHMFSZ-AWEZNQCLSA-N 0 0 389.297 3.293 20 30 GGEDRN CC(C)[C@@H](C#N)NC(=O)CCCOc1ccc(I)cc1 ZINC000470157437 566851399 /nfs/dbraw/zinc/85/13/99/566851399.db2.gz YJORULNRNWKMCW-CQSZACIVSA-N 0 0 386.233 3.115 20 30 GGEDRN C[C@@](C#N)(NC(=O)CN1CCC[C@H]1c1ccccc1Br)C1CC1 ZINC000610676294 566851620 /nfs/dbraw/zinc/85/16/20/566851620.db2.gz TVQXWZHANCSHAN-WMZOPIPTSA-N 0 0 376.298 3.394 20 30 GGEDRN CCCN(CC(F)(F)F)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000610657897 566852562 /nfs/dbraw/zinc/85/25/62/566852562.db2.gz JWLXQNSKGUMCAB-UHFFFAOYSA-N 0 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N#Cc1ccccc1OCC(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000610728107 566857664 /nfs/dbraw/zinc/85/76/64/566857664.db2.gz WOEMJEFJUXFEBW-UHFFFAOYSA-N 0 0 389.224 3.424 20 30 GGEDRN O=S(=O)(Cc1ccc(F)cc1F)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000679469482 566857855 /nfs/dbraw/zinc/85/78/55/566857855.db2.gz PBFQMQOHKPSPPW-AOOOYVTPSA-N 0 0 397.287 3.467 20 30 GGEDRN CC[C@@H](Cc1ccccc1Br)NC(=O)NC1CCN(CC#N)CC1 ZINC000610737262 566857866 /nfs/dbraw/zinc/85/78/66/566857866.db2.gz XFHVURBJSNDHFI-HNNXBMFYSA-N 0 0 393.329 3.057 20 30 GGEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@H]1OCCc2sccc21 ZINC000490498196 566858016 /nfs/dbraw/zinc/85/80/16/566858016.db2.gz CPFMZKMXWUAJJW-MGPLVRAMSA-N 0 0 382.894 3.254 20 30 GGEDRN N#Cc1cccc(NC(=O)CN2CCc3c(F)cc(Br)cc3C2)c1 ZINC000610729022 566858095 /nfs/dbraw/zinc/85/80/95/566858095.db2.gz AJMKRPULOWJLAK-UHFFFAOYSA-N 0 0 388.240 3.457 20 30 GGEDRN N#C[C@H](NC(=O)c1cnn(-c2cccnc2)c1)c1ccccc1Br ZINC000610739292 566858345 /nfs/dbraw/zinc/85/83/45/566858345.db2.gz FFVJMHFANYUMBT-INIZCTEOSA-N 0 0 382.221 3.024 20 30 GGEDRN COC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1Cl ZINC000543165525 566858874 /nfs/dbraw/zinc/85/88/74/566858874.db2.gz BGADHWYLBBFEON-HNNXBMFYSA-N 0 0 399.255 3.058 20 30 GGEDRN C[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(Br)cc1OCCCO ZINC000428589689 566859354 /nfs/dbraw/zinc/85/93/54/566859354.db2.gz NBFYVVVKUWSDAD-GFCCVEGCSA-N 0 0 383.286 3.327 20 30 GGEDRN CS[C@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)C(C)(C)C ZINC000543172709 566859525 /nfs/dbraw/zinc/85/95/25/566859525.db2.gz SWLOYLNNPRNXSE-CYBMUJFWSA-N 0 0 391.356 3.377 20 30 GGEDRN N#CCN1CCC[C@H](CNC(=O)CCCc2cccc(Br)c2)C1 ZINC000610765824 566860841 /nfs/dbraw/zinc/86/08/41/566860841.db2.gz QCLQLABLZUOXBK-MRXNPFEDSA-N 0 0 378.314 3.124 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H]1OCCc2sccc21 ZINC000490528194 566861161 /nfs/dbraw/zinc/86/11/61/566861161.db2.gz OTEBUZPBSJNEKC-HWPZZCPQSA-N 0 0 382.894 3.254 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NC2(Cc3ccccc3Br)CC2)s1 ZINC000490528877 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N#Cc1ccc(NC[C@@H](CO)Cc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000428649655 566864638 /nfs/dbraw/zinc/86/46/38/566864638.db2.gz GYXONPXEUIUSTE-AWEZNQCLSA-N 0 0 390.237 3.492 20 30 GGEDRN Cc1nc(NC(=O)c2cc(C)ccc2Br)n(-c2ccc(C#N)cc2)n1 ZINC000610793687 566865308 /nfs/dbraw/zinc/86/53/08/566865308.db2.gz FLTSUIOQQJGGLC-UHFFFAOYSA-N 0 0 396.248 3.193 20 30 GGEDRN C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@@H]1OCCc2sccc21 ZINC000490579603 566865914 /nfs/dbraw/zinc/86/59/14/566865914.db2.gz NFMYFHGLRFRYSO-QFYYESIMSA-N 0 0 382.894 3.254 20 30 GGEDRN N#Cc1csc(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)c1 ZINC000470348848 566866022 /nfs/dbraw/zinc/86/60/22/566866022.db2.gz AGLUPWXSLLMITN-UHFFFAOYSA-N 0 0 387.262 3.498 20 30 GGEDRN COc1cc(I)c(Cl)cc1C(=O)N[C@H](C#N)C(C)C ZINC000470343464 566866275 /nfs/dbraw/zinc/86/62/75/566866275.db2.gz PTOGPQSKTWCZKR-LLVKDONJSA-N 0 0 392.624 3.231 20 30 GGEDRN N#Cc1c(NC[C@H](CO)Cc2ccccc2Br)nc2ccccn12 ZINC000428660977 566866317 /nfs/dbraw/zinc/86/63/17/566866317.db2.gz 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Cc1noc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Br)n1 ZINC000451725315 566869588 /nfs/dbraw/zinc/86/95/88/566869588.db2.gz LQCHDZYICHEUKL-ZDUSSCGKSA-N 0 0 375.226 3.380 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NC2(Cc3ccccc3Br)CC2)cc1 ZINC000490600625 566869731 /nfs/dbraw/zinc/86/97/31/566869731.db2.gz JVPWUCXKUSCGNQ-UHFFFAOYSA-N 0 0 391.290 3.374 20 30 GGEDRN N#Cc1cccc(NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)c1 ZINC000428683711 566869828 /nfs/dbraw/zinc/86/98/28/566869828.db2.gz GDKPLIRRBHVXSS-HNNXBMFYSA-N 0 0 388.265 3.293 20 30 GGEDRN N#CCC1(CS(=O)(=O)NC2(Cc3ccccc3Br)CC2)CC1 ZINC000582528153 566870059 /nfs/dbraw/zinc/87/00/59/566870059.db2.gz JGYWNRKJZKNNBV-UHFFFAOYSA-N 0 0 383.311 3.137 20 30 GGEDRN Cc1nc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)ccc1C#N ZINC000470433675 566870565 /nfs/dbraw/zinc/87/05/65/566870565.db2.gz ZPGRBSLUGJOARM-HNNXBMFYSA-N 0 0 385.265 3.033 20 30 GGEDRN N#Cc1ccc(NC(=O)NC[C@@H](CO)Cc2ccccc2Br)cc1 ZINC000428693632 566870756 /nfs/dbraw/zinc/87/07/56/566870756.db2.gz QQKBAZKLMXZROW-AWEZNQCLSA-N 0 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N#Cc1ccc(CC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)cc1 ZINC000470456337 566875572 /nfs/dbraw/zinc/87/55/72/566875572.db2.gz UVILWKUJHALUQP-QGZVFWFLSA-N 0 0 384.277 3.258 20 30 GGEDRN N#Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)s1 ZINC000470454878 566875873 /nfs/dbraw/zinc/87/58/73/566875873.db2.gz CLWYSOCVBOSXGD-LBPRGKRZSA-N 0 0 376.279 3.391 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CCc2sc(Br)cc2C1 ZINC000610932151 566876094 /nfs/dbraw/zinc/87/60/94/566876094.db2.gz QDEKZCJHZZJTDN-UHFFFAOYSA-N 0 0 397.319 3.438 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCc3sc(Br)cc3C2)cc1 ZINC000610932181 566876135 /nfs/dbraw/zinc/87/61/35/566876135.db2.gz XWSLYSNAPGEJAG-UHFFFAOYSA-N 0 0 383.292 3.129 20 30 GGEDRN N#CCCC1CCN(C(=O)C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000518371949 566879113 /nfs/dbraw/zinc/87/91/13/566879113.db2.gz VPXVXOPLMXGCLE-UHFFFAOYSA-N 0 0 382.233 3.069 20 30 GGEDRN C=CCCOCC(=O)Nc1cc(Br)cc(C(=O)OC)c1Cl ZINC000610983552 566879277 /nfs/dbraw/zinc/87/92/77/566879277.db2.gz IZFPTGIOMNKHKS-UHFFFAOYSA-N 0 0 376.634 3.420 20 30 GGEDRN N#Cc1ccc(CNC(=O)CN2CCc3sc(Br)cc3C2)cc1 ZINC000610990278 566879350 /nfs/dbraw/zinc/87/93/50/566879350.db2.gz YMMNLCJHXKVAIN-UHFFFAOYSA-N 0 0 390.306 3.057 20 30 GGEDRN N#Cc1cccc(CNC(=O)CN2CCc3sc(Br)cc3C2)c1 ZINC000610990110 566879774 /nfs/dbraw/zinc/87/97/74/566879774.db2.gz JGLGBFBEVFCCJK-UHFFFAOYSA-N 0 0 390.306 3.057 20 30 GGEDRN C=CCCCCCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000563382092 566879766 /nfs/dbraw/zinc/87/97/66/566879766.db2.gz BLDPLESTLFJLSZ-UHFFFAOYSA-N 0 0 384.230 3.158 20 30 GGEDRN CC1(C)CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000490791732 566879823 /nfs/dbraw/zinc/87/98/23/566879823.db2.gz IVCKTFCYIHGRPN-GFCCVEGCSA-N 0 0 378.270 3.202 20 30 GGEDRN N#Cc1cccc(NC(=O)CN2CCc3sc(Br)cc3C2)c1 ZINC000610990299 566879877 /nfs/dbraw/zinc/87/98/77/566879877.db2.gz ZSWQBJKDFBRNFQ-UHFFFAOYSA-N 0 0 376.279 3.379 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc2nccnc2c1Br ZINC000490815779 566880244 /nfs/dbraw/zinc/88/02/44/566880244.db2.gz SCJCRDYIJPAYOC-BDJLRTHQSA-N 0 0 391.269 3.495 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc2nccnc2c1Br ZINC000490815791 566880931 /nfs/dbraw/zinc/88/09/31/566880931.db2.gz SCJCRDYIJPAYOC-MEDUHNTESA-N 0 0 391.269 3.495 20 30 GGEDRN N#Cc1cccc(NC(=O)COc2cccc(F)c2I)c1 ZINC000611000631 566881203 /nfs/dbraw/zinc/88/12/03/566881203.db2.gz VUYVWGDIVOYAJG-UHFFFAOYSA-N 0 0 396.159 3.319 20 30 GGEDRN N#Cc1nccc(N2CCC[C@@H]2c2ccc(I)cc2)n1 ZINC000563420709 566881499 /nfs/dbraw/zinc/88/14/99/566881499.db2.gz WAPXUAVZTQTBEX-CYBMUJFWSA-N 0 0 376.201 3.294 20 30 GGEDRN N#C[C@@H](NC(=O)CNC(=O)c1c(F)cccc1Cl)c1ccccc1Cl ZINC000470550764 566881597 /nfs/dbraw/zinc/88/15/97/566881597.db2.gz CXURVXXYCWJCHB-CQSZACIVSA-N 0 0 380.206 3.243 20 30 GGEDRN COc1cccc(S(=O)(=O)N(CCC(F)(F)F)CC(F)(F)F)c1F ZINC000656183945 566881565 /nfs/dbraw/zinc/88/15/65/566881565.db2.gz UULJXCXNXWGMJY-UHFFFAOYSA-N 0 0 383.285 3.340 20 30 GGEDRN N#Cc1ccc(OCC(=O)N[C@H](C2CC2)C(F)(F)F)cc1Br ZINC000451787152 566881857 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CN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432939834 567205720 /nfs/dbraw/zinc/20/57/20/567205720.db2.gz PLXMFYVLUVDIJE-UHFFFAOYSA-N 0 0 383.242 3.281 20 30 GGEDRN Cc1ccccc1CN(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432936968 567206846 /nfs/dbraw/zinc/20/68/46/567206846.db2.gz FVSPAYZXECTDMV-UHFFFAOYSA-N 0 0 379.279 3.450 20 30 GGEDRN Cc1cc(NC(=O)[C@H](C)Oc2cccc(Br)c2)n(CCC#N)n1 ZINC000524668056 567207112 /nfs/dbraw/zinc/20/71/12/567207112.db2.gz SNJOERITWLXRJI-LBPRGKRZSA-N 0 0 377.242 3.274 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC(=O)c3cc(Br)ccc32)cc1 ZINC000432953967 567207462 /nfs/dbraw/zinc/20/74/62/567207462.db2.gz DQJWSRWJOITSJX-UHFFFAOYSA-N 0 0 391.246 3.102 20 30 GGEDRN N#Cc1cccc(F)c1CC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000498871886 567207667 /nfs/dbraw/zinc/20/76/67/567207667.db2.gz AVPMFKXULKTNOP-UHFFFAOYSA-N 0 0 399.223 3.249 20 30 GGEDRN CN(C)c1cc(Br)cc(C(=O)NCc2ccc(C#N)cc2F)c1 ZINC000590094425 567207712 /nfs/dbraw/zinc/20/77/12/567207712.db2.gz HOAXRMOWICSEQI-UHFFFAOYSA-N 0 0 376.229 3.456 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1Br ZINC000432944727 567207928 /nfs/dbraw/zinc/20/79/28/567207928.db2.gz OCOZQSDHMVHXKG-UHFFFAOYSA-N 0 0 397.319 3.391 20 30 GGEDRN CCOc1ccc(Br)cc1S(=O)(=O)N(C)CC(C)(C)C#N ZINC000590091614 567208107 /nfs/dbraw/zinc/20/81/07/567208107.db2.gz VBPJDYCBTHOAEY-UHFFFAOYSA-N 0 0 375.288 3.018 20 30 GGEDRN COc1cc2c(cc1Cl)CN(S(=O)(=O)c1ccc(F)c(C#N)c1)CC2 ZINC000566987234 567208195 /nfs/dbraw/zinc/20/81/95/567208195.db2.gz VYGVPRPRXJSUHF-UHFFFAOYSA-N 0 0 380.828 3.106 20 30 GGEDRN C=CCN1CC[C@@H](N(C)Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1=O ZINC000547407182 567208415 /nfs/dbraw/zinc/20/84/15/567208415.db2.gz MKGQEBRRQNQGIC-MRXNPFEDSA-N 0 0 389.297 3.058 20 30 GGEDRN N#CC1CN(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)C1 ZINC000590120551 567209110 /nfs/dbraw/zinc/20/91/10/567209110.db2.gz PTCINWNDEHLCFL-UHFFFAOYSA-N 0 0 377.267 3.484 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)N2CCC(=O)c3cc(Br)ccc32)c1 ZINC000432958183 567209017 /nfs/dbraw/zinc/20/90/17/567209017.db2.gz 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567212047 /nfs/dbraw/zinc/21/20/47/567212047.db2.gz CKNYZNHOAJRCMJ-GOSISDBHSA-N 0 0 387.252 3.113 20 30 GGEDRN C=CCN(C(=O)c1ccc([C@H](C)C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000454910110 567211995 /nfs/dbraw/zinc/21/19/95/567211995.db2.gz IQLMVOHXHXJLJD-SWLSCSKDSA-N 0 0 375.412 3.168 20 30 GGEDRN N#CCc1cccc(S(=O)(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000590175024 567212292 /nfs/dbraw/zinc/21/22/92/567212292.db2.gz ROMVRAKVNCEHJL-GOSISDBHSA-N 0 0 376.865 3.168 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)c3c(Cl)cncc3Cl)CC2)nc1 ZINC000590211101 567213148 /nfs/dbraw/zinc/21/31/48/567213148.db2.gz CDTDCHZSHWEFFA-UHFFFAOYSA-N 0 0 376.247 3.054 20 30 GGEDRN N#Cc1cc(F)ccc1CN1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000498936846 567213473 /nfs/dbraw/zinc/21/34/73/567213473.db2.gz GHQYFGUCLCAEPP-KRWDZBQOSA-N 0 0 388.240 3.133 20 30 GGEDRN CC[C@@H](C#N)NC(=O)c1ccc(I)c(Br)c1 ZINC000547491580 567213976 /nfs/dbraw/zinc/21/39/76/567213976.db2.gz IZZQOFLSLSDRKP-QMMMGPOBSA-N 0 0 393.022 3.086 20 30 GGEDRN N#Cc1cc(CN2CCNC(=O)[C@@H]2c2cccc(Br)c2)ccc1F ZINC000498923978 567214083 /nfs/dbraw/zinc/21/40/83/567214083.db2.gz SMCDCMNTCQHPLO-KRWDZBQOSA-N 0 0 388.240 3.133 20 30 GGEDRN C=CCOCC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000474955426 567214220 /nfs/dbraw/zinc/21/42/20/567214220.db2.gz RFUNWJPYGGNFRR-QGZVFWFLSA-N 0 0 375.266 3.447 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)Nc1cc(I)ccc1Cl ZINC000454937144 567214320 /nfs/dbraw/zinc/21/43/20/567214320.db2.gz DHUUJNJDKVPGLF-SNVBAGLBSA-N 0 0 394.640 3.393 20 30 GGEDRN CCN(CCC(F)(F)F)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000590221892 567214456 /nfs/dbraw/zinc/21/44/56/567214456.db2.gz KAOLXYRWMFSJEN-UHFFFAOYSA-N 0 0 392.175 3.060 20 30 GGEDRN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)CC2 ZINC000590223402 567215198 /nfs/dbraw/zinc/21/51/98/567215198.db2.gz NSTVLWCLNFFKAT-QGZVFWFLSA-N 0 0 398.260 3.371 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NC2(c3ccc(F)cc3)CC2)cc1Br ZINC000433008692 567215792 /nfs/dbraw/zinc/21/57/92/567215792.db2.gz PWTRPEKGACJPQK-UHFFFAOYSA-N 0 0 395.253 3.427 20 30 GGEDRN C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C[C@H]1C ZINC000590241505 567215994 /nfs/dbraw/zinc/21/59/94/567215994.db2.gz QHIRYHBKUQUKPB-NQBHXWOUSA-N 0 0 378.270 3.200 20 30 GGEDRN CN(C)c1cc(C#N)cc(C(=O)N[C@H](C#N)c2ccccc2Br)c1 ZINC000590247911 567216023 /nfs/dbraw/zinc/21/60/23/567216023.db2.gz FORVGAHHVBISIK-QGZVFWFLSA-N 0 0 383.249 3.381 20 30 GGEDRN CS(=O)(=O)[C@@H]1CCC[C@H](Nc2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000524847849 567216816 /nfs/dbraw/zinc/21/68/16/567216816.db2.gz NUCUWFZDVCCDHD-NWDGAFQWSA-N 0 0 381.860 3.089 20 30 GGEDRN CC[C@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)c1ccncc1 ZINC000567083226 567217041 /nfs/dbraw/zinc/21/70/41/567217041.db2.gz CDQNRDUMENRRAS-AWEZNQCLSA-N 0 0 398.257 3.284 20 30 GGEDRN COc1nc(C)c(Br)cc1-c1noc(-c2ncc(C#N)cc2C)n1 ZINC000590274026 567217605 /nfs/dbraw/zinc/21/76/05/567217605.db2.gz HVMZRXVFUJKHCR-UHFFFAOYSA-N 0 0 386.209 3.453 20 30 GGEDRN C=CCN(CCC#N)C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000590270261 567218044 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N#CCc1ccc(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)cc1 ZINC000590390666 567222494 /nfs/dbraw/zinc/22/24/94/567222494.db2.gz WRKGDSDNGNKYTD-INIZCTEOSA-N 0 0 386.249 3.204 20 30 GGEDRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N(CCC#N)CCC#N ZINC000524938594 567222895 /nfs/dbraw/zinc/22/28/95/567222895.db2.gz MFZYUMWWNNQUPN-MRXNPFEDSA-N 0 0 392.297 3.300 20 30 GGEDRN CC[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000499076716 567222946 /nfs/dbraw/zinc/22/29/46/567222946.db2.gz RJDPHSXSGOPFIX-WCQYABFASA-N 0 0 378.270 3.344 20 30 GGEDRN CN(CC(C)(C)C#N)C(=O)Nc1cccc(F)c1I ZINC000455020729 567223660 /nfs/dbraw/zinc/22/36/60/567223660.db2.gz IFBRMEPFPJGQJT-UHFFFAOYSA-N 0 0 375.185 3.444 20 30 GGEDRN C=CCN(CCOC)C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000433128452 567225393 /nfs/dbraw/zinc/22/53/93/567225393.db2.gz WVCRUKQMRMDWSF-UHFFFAOYSA-N 0 0 389.221 3.041 20 30 GGEDRN N#C[C@@H](CCc1ccccc1)C(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000590416182 567225559 /nfs/dbraw/zinc/22/55/59/567225559.db2.gz 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567227569 /nfs/dbraw/zinc/22/75/69/567227569.db2.gz NMRGWIYZIHXGAE-JTQLQIEISA-N 0 0 377.256 3.350 20 30 GGEDRN COC(=O)[C@@H](CC(F)(F)F)NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000475138693 567228004 /nfs/dbraw/zinc/22/80/04/567228004.db2.gz NMRGWIYZIHXGAE-SNVBAGLBSA-N 0 0 377.256 3.350 20 30 GGEDRN C[C@H](C#N)CN(C)C(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000475155885 567228679 /nfs/dbraw/zinc/22/86/79/567228679.db2.gz VBVNOALXGVKCML-OLZOCXBDSA-N 0 0 399.276 3.413 20 30 GGEDRN N#CC1CN(C(=O)CCCCCc2ccc(I)cc2)C1 ZINC000590488658 567228990 /nfs/dbraw/zinc/22/89/90/567228990.db2.gz IAVFZKDVRPUXHK-UHFFFAOYSA-N 0 0 382.245 3.376 20 30 GGEDRN N#CC1CN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)C1 ZINC000590489123 567229308 /nfs/dbraw/zinc/22/93/08/567229308.db2.gz VFEUMRRIVWQOIB-UHFFFAOYSA-N 0 0 385.265 3.109 20 30 GGEDRN N#CCCC1CCN(S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000567230631 567230069 /nfs/dbraw/zinc/23/00/69/567230069.db2.gz AIQRYKOQBOGVQQ-UHFFFAOYSA-N 0 0 375.263 3.293 20 30 GGEDRN Cc1nc(OCC(=O)Nc2ccc(F)cc2F)c(Br)cc1C#N ZINC000590587837 567233393 /nfs/dbraw/zinc/23/33/93/567233393.db2.gz GVMPSNAGXZOFQM-UHFFFAOYSA-N 0 0 382.164 3.320 20 30 GGEDRN CCOc1ccc(NC(=O)COc2nc(C)c(C#N)cc2Br)cc1 ZINC000590587680 567233688 /nfs/dbraw/zinc/23/36/88/567233688.db2.gz ZDFGMGZDKSAQOC-UHFFFAOYSA-N 0 0 390.237 3.440 20 30 GGEDRN N#Cc1nc(NC[C@@H](c2ccccc2Cl)N2CCOCC2)sc1Cl ZINC000590572155 567234003 /nfs/dbraw/zinc/23/40/03/567234003.db2.gz HEKXWTOIXBKUNO-AWEZNQCLSA-N 0 0 383.304 3.229 20 30 GGEDRN Cc1nc(OCCOc2ccccc2[N+](=O)[O-])c(Br)cc1C#N ZINC000590587687 567234179 /nfs/dbraw/zinc/23/41/79/567234179.db2.gz ZIGJDILAAXNUDU-UHFFFAOYSA-N 0 0 378.182 3.390 20 30 GGEDRN COc1ccc(NC(=O)COc2nc(C)c(C#N)cc2Br)cc1 ZINC000590587506 567234430 /nfs/dbraw/zinc/23/44/30/567234430.db2.gz TVLIVFRTTJTFFO-UHFFFAOYSA-N 0 0 376.210 3.050 20 30 GGEDRN N#CC1(CCCS(=O)(=O)Cc2ccc(C(F)(F)F)cn2)CCOCC1 ZINC000567297184 567234739 /nfs/dbraw/zinc/23/47/39/567234739.db2.gz PJTNYSHLZUYEMY-UHFFFAOYSA-N 0 0 376.400 3.116 20 30 GGEDRN CC(C)Cc1noc(CS(=O)(=O)Cc2cc(C#N)ccc2Br)n1 ZINC000567303748 567235453 /nfs/dbraw/zinc/23/54/53/567235453.db2.gz FCISMTZPDORDEF-UHFFFAOYSA-N 0 0 398.282 3.017 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCCc3sccc32)c1 ZINC000684764211 567235910 /nfs/dbraw/zinc/23/59/10/567235910.db2.gz KNCBURDGRVGYBY-UHFFFAOYSA-N 0 0 376.503 3.196 20 30 GGEDRN Nc1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(F)c1 ZINC000659894961 567236112 /nfs/dbraw/zinc/23/61/12/567236112.db2.gz PMFKXXIBGVOXIM-OCAPTIKFSA-N 0 0 394.312 3.159 20 30 GGEDRN O=S(=O)(CCOCC(F)(F)F)Nc1cc(F)cc(NCC(F)(F)F)c1 ZINC000567318338 567236498 /nfs/dbraw/zinc/23/64/98/567236498.db2.gz DGQXNVDXEZZBJB-UHFFFAOYSA-N 0 0 398.300 3.121 20 30 GGEDRN Cc1cc(=NC(=O)N[C@@H](C)c2ccc(F)c(Br)c2)[nH]n1CCC#N ZINC000455116775 567236551 /nfs/dbraw/zinc/23/65/51/567236551.db2.gz NVMWDQOXVHVDFN-NSHDSACASA-N 0 0 394.248 3.311 20 30 GGEDRN Nc1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(F)c1 ZINC000659894962 567236495 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C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCOc2c(Br)cccc2C1 ZINC000684803299 567238162 /nfs/dbraw/zinc/23/81/62/567238162.db2.gz SZFGHEKBTGQSJT-CZUORRHYSA-N 0 0 395.297 3.334 20 30 GGEDRN N#Cc1cc(Br)cnc1N1CCC(CC(=O)NC2CCCC2)CC1 ZINC000590687284 567238599 /nfs/dbraw/zinc/23/85/99/567238599.db2.gz QEHCFVYEFBUYLY-UHFFFAOYSA-N 0 0 391.313 3.381 20 30 GGEDRN Cc1noc(C)c1[C@@H](C)NC(=O)COc1cccc(Br)c1C#N ZINC000590667426 567238885 /nfs/dbraw/zinc/23/88/85/567238885.db2.gz VNSJVZCRKUPWHT-SECBINFHSA-N 0 0 378.226 3.182 20 30 GGEDRN N#Cc1ccc2c(c1)N(C[C@H](O)COc1cc(F)cc(Br)c1)CC2 ZINC000433268578 567239124 /nfs/dbraw/zinc/23/91/24/567239124.db2.gz LVYPHKPJSPMMPC-INIZCTEOSA-N 0 0 391.240 3.262 20 30 GGEDRN CC(C)(CNC(=O)COc1ccc(C#N)c(Br)c1)c1ccncc1 ZINC000590690711 567239733 /nfs/dbraw/zinc/23/97/33/567239733.db2.gz OFSGYACVXPTEAT-UHFFFAOYSA-N 0 0 388.265 3.189 20 30 GGEDRN C[C@@H](C(=O)Nc1cccc(I)c1)N(C)CC(C)(C)C#N ZINC000433296282 567239752 /nfs/dbraw/zinc/23/97/52/567239752.db2.gz RVEXNTYAEGFEAY-NSHDSACASA-N 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CCC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000499405320 567245571 /nfs/dbraw/zinc/24/55/71/567245571.db2.gz IVRAKRYAVBRGDS-GFCCVEGCSA-N 0 0 378.270 3.298 20 30 GGEDRN CC(C)CC1(CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000499404294 567245757 /nfs/dbraw/zinc/24/57/57/567245757.db2.gz GMHBODLVQXANSP-UHFFFAOYSA-N 0 0 378.270 3.202 20 30 GGEDRN Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@](C)(C#N)C1 ZINC000616430880 567245852 /nfs/dbraw/zinc/24/58/52/567245852.db2.gz WERZLXRYCZKHBZ-CQSZACIVSA-N 0 0 375.263 3.211 20 30 GGEDRN N#Cc1cccc(C(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)c1Br ZINC000590766506 567245967 /nfs/dbraw/zinc/24/59/67/567245967.db2.gz VHYAAJKNSOTHFS-INIZCTEOSA-N 0 0 375.266 3.352 20 30 GGEDRN CC1(C)CCCC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000499415477 567246317 /nfs/dbraw/zinc/24/63/17/567246317.db2.gz CKZCZGDVLDBUSX-CQSZACIVSA-N 0 0 378.270 3.344 20 30 GGEDRN N#C[C@]1(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC12CCCC2 ZINC000590766042 567246374 /nfs/dbraw/zinc/24/63/74/567246374.db2.gz 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CSC1(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCC1 ZINC000433557868 567258490 /nfs/dbraw/zinc/25/84/90/567258490.db2.gz KMRVADSBXBHGGH-UHFFFAOYSA-N 0 0 375.885 3.226 20 30 GGEDRN CCN(Cc1cc(Br)ccc1F)C(=O)Cc1noc(C)c1C#N ZINC000499586342 567258622 /nfs/dbraw/zinc/25/86/22/567258622.db2.gz DMWKUGXWNWWORW-UHFFFAOYSA-N 0 0 380.217 3.348 20 30 GGEDRN C=CCN(CCC#N)C(=O)Nc1cc(Br)c(F)cc1C(=O)OC ZINC000455318100 567259201 /nfs/dbraw/zinc/25/92/01/567259201.db2.gz FUFZIUFEKDYCQL-UHFFFAOYSA-N 0 0 384.205 3.308 20 30 GGEDRN COCCN(CCc1ccccc1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475592551 567260584 /nfs/dbraw/zinc/26/05/84/567260584.db2.gz SYNPIMUWZOAAGR-UHFFFAOYSA-N 0 0 378.881 3.091 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(S(C)(=O)=O)s3)sc2C1 ZINC000567607220 567261285 /nfs/dbraw/zinc/26/12/85/567261285.db2.gz UFTBBJNNNOESGK-SECBINFHSA-N 0 0 380.516 3.462 20 30 GGEDRN C=CCN1CCC(NS(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000433634410 567263210 /nfs/dbraw/zinc/26/32/10/567263210.db2.gz PTVJTTJUIRHCBV-UHFFFAOYSA-N 0 0 399.763 3.093 20 30 GGEDRN C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)c1cnn(C)c1C#N ZINC000475648004 567264423 /nfs/dbraw/zinc/26/44/23/567264423.db2.gz SXNIBRGPCJUCML-RFAUZJTJSA-N 0 0 391.294 3.267 20 30 GGEDRN C[C@H](NC(=O)NCC(C)(C)C#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000499723973 567268553 /nfs/dbraw/zinc/26/85/53/567268553.db2.gz QFTNQLRRCDVPDI-JTQLQIEISA-N 0 0 392.257 3.409 20 30 GGEDRN C[C@@H](C(=O)N(CCC#N)CCN1CCOCC1)c1c(Cl)cccc1Cl ZINC000591160427 567268760 /nfs/dbraw/zinc/26/87/60/567268760.db2.gz VFMLEPDEWJSRPA-CQSZACIVSA-N 0 0 384.307 3.171 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000499736788 567269610 /nfs/dbraw/zinc/26/96/10/567269610.db2.gz WOFOWDFOIJLLLG-ITDIGPHOSA-N 0 0 376.309 3.165 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC(F)(F)C2)cc1Br ZINC000499743878 567270039 /nfs/dbraw/zinc/27/00/39/567270039.db2.gz RYMVWNBDLQPDJI-SNVBAGLBSA-N 0 0 393.253 3.425 20 30 GGEDRN C=CCCC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)CCCC)cc1 ZINC000660143155 567270260 /nfs/dbraw/zinc/27/02/60/567270260.db2.gz NNTUINYPLBTIRP-UHFFFAOYSA-N 0 0 388.555 3.252 20 30 GGEDRN C=CCN(C)C(=O)c1ccc(I)c(Br)c1 ZINC000547981828 567270869 /nfs/dbraw/zinc/27/08/69/567270869.db2.gz JKBCGVITUULSRZ-UHFFFAOYSA-N 0 0 380.023 3.312 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1NC(=O)N(CCOC)Cc1sccc1Br ZINC000455401309 567271263 /nfs/dbraw/zinc/27/12/63/567271263.db2.gz GUTLJXFWCANLDI-OLZOCXBDSA-N 0 0 389.315 3.012 20 30 GGEDRN Cn1cc(-c2nc(CS(=O)(=O)CCC3(C#N)CCCCC3)cs2)cn1 ZINC000591259268 567271919 /nfs/dbraw/zinc/27/19/19/567271919.db2.gz RSALQKQOYSWMCA-UHFFFAOYSA-N 0 0 378.523 3.323 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1NC(=O)N(CCOC)Cc1cc(Br)cs1 ZINC000455412462 567272211 /nfs/dbraw/zinc/27/22/11/567272211.db2.gz PZBMRRKMZUCBCI-KGLIPLIRSA-N 0 0 389.315 3.012 20 30 GGEDRN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC(C)(C)CCC#N ZINC000567719403 567272560 /nfs/dbraw/zinc/27/25/60/567272560.db2.gz SMHOCVUVRZLWCP-CYBMUJFWSA-N 0 0 388.917 3.362 20 30 GGEDRN C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C[C@@H]1C ZINC000499778839 567272581 /nfs/dbraw/zinc/27/25/81/567272581.db2.gz GRWAZBZGRCOIKZ-MDZLAQPJSA-N 0 0 378.270 3.200 20 30 GGEDRN N#CC1(NC(=O)COc2ccc(Br)cc2C(F)(F)F)CCC1 ZINC000525877361 567273202 /nfs/dbraw/zinc/27/32/02/567273202.db2.gz RQNLRLBWLKYWGW-UHFFFAOYSA-N 0 0 377.160 3.409 20 30 GGEDRN CSc1ccc(NC(=O)C(=O)Nc2cc(C)nn2CCC#N)cc1Cl ZINC000525882864 567273492 /nfs/dbraw/zinc/27/34/92/567273492.db2.gz IRYZFZFDPBHISI-UHFFFAOYSA-N 0 0 377.857 3.058 20 30 GGEDRN N#CC1(NC(=O)CN2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CCC1 ZINC000525886044 567273527 /nfs/dbraw/zinc/27/35/27/567273527.db2.gz MDKMWLMROMSBHH-CQSZACIVSA-N 0 0 382.291 3.399 20 30 GGEDRN N#C[C@@H](NC(=O)CNC(=O)NC1CCCCC1)c1c(Cl)cccc1Cl ZINC000499809708 567273648 /nfs/dbraw/zinc/27/36/48/567273648.db2.gz HFPCVQPWSZKVGQ-CQSZACIVSA-N 0 0 383.279 3.306 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1NC(=O)N(CC)CCOc1ccc(Br)cc1 ZINC000455424021 567274132 /nfs/dbraw/zinc/27/41/32/567274132.db2.gz 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567276660 /nfs/dbraw/zinc/27/66/60/567276660.db2.gz OHTKNOUMZITVRJ-ZLDLUXBVSA-N 0 0 378.270 3.336 20 30 GGEDRN N#CC1(CS(=O)(=O)NCCc2ccc(Br)cc2)CCCCC1 ZINC000475793214 567277246 /nfs/dbraw/zinc/27/72/46/567277246.db2.gz YTKUADDKMIKNSC-UHFFFAOYSA-N 0 0 385.327 3.385 20 30 GGEDRN N#CCc1ccccc1S(=O)(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000475794328 567277435 /nfs/dbraw/zinc/27/74/35/567277435.db2.gz ZMKOGRFBXGZULK-UHFFFAOYSA-N 0 0 378.837 3.368 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCN(c3ccccc3)C2)c1 ZINC000475798485 567277685 /nfs/dbraw/zinc/27/76/85/567277685.db2.gz YJFIWAQDUJYXBW-HNNXBMFYSA-N 0 0 375.881 3.159 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)Nc1cc(F)c(Br)cc1OCC ZINC000455468314 567277870 /nfs/dbraw/zinc/27/78/70/567277870.db2.gz UOSHWVYHPVVZTK-SNVBAGLBSA-N 0 0 375.238 3.436 20 30 GGEDRN Cc1c(Br)cc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c(=O)n1C ZINC000433861042 567278733 /nfs/dbraw/zinc/27/87/33/567278733.db2.gz XDOJIHONPPGXAT-AWEZNQCLSA-N 0 0 394.656 3.104 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCc3c(F)cccc3C2)cc1Br ZINC000433861591 567279117 /nfs/dbraw/zinc/27/91/17/567279117.db2.gz CTCZSNZLOAOIRE-UHFFFAOYSA-N 0 0 395.253 3.207 20 30 GGEDRN COc1ccc(NS(=O)(=O)c2ccccc2CC#N)c(Br)c1 ZINC000475811959 567279197 /nfs/dbraw/zinc/27/91/97/567279197.db2.gz RKGOGMJAXVXDSO-UHFFFAOYSA-N 0 0 381.251 3.325 20 30 GGEDRN N#CCc1ccccc1S(=O)(=O)N1CCc2ccc(Br)cc21 ZINC000475812230 567279208 /nfs/dbraw/zinc/27/92/08/567279208.db2.gz PJALPLSGBORPID-UHFFFAOYSA-N 0 0 377.263 3.267 20 30 GGEDRN COc1ccc(NS(=O)(=O)c2ccccc2CC#N)cc1Br ZINC000475819891 567280371 /nfs/dbraw/zinc/28/03/71/567280371.db2.gz WJBWHOOJSYHLOX-UHFFFAOYSA-N 0 0 381.251 3.325 20 30 GGEDRN Cc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000475819197 567280479 /nfs/dbraw/zinc/28/04/79/567280479.db2.gz QXKYKDSJQAVCJO-UHFFFAOYSA-N 0 0 377.263 3.381 20 30 GGEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1cccc(O)c1 ZINC000433875137 567281455 /nfs/dbraw/zinc/28/14/55/567281455.db2.gz OMOBVHDCYSDKSY-JTQLQIEISA-N 0 0 381.251 3.066 20 30 GGEDRN Cc1cc(NC(=O)c2c(C)nc3ccc(Br)cn32)n(CCC#N)n1 ZINC000525993978 567281600 /nfs/dbraw/zinc/28/16/00/567281600.db2.gz FCTOAFNULKOHOO-UHFFFAOYSA-N 0 0 387.241 3.076 20 30 GGEDRN CCS[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433883845 567281564 /nfs/dbraw/zinc/28/15/64/567281564.db2.gz RMTMDNNKDZDAPP-ZIAGYGMSSA-N 0 0 389.340 3.273 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1cccc(O)c1 ZINC000433875138 567281692 /nfs/dbraw/zinc/28/16/92/567281692.db2.gz OMOBVHDCYSDKSY-SNVBAGLBSA-N 0 0 381.251 3.066 20 30 GGEDRN CN(Cc1cc(Br)cn1C)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000455532976 567281665 /nfs/dbraw/zinc/28/16/65/567281665.db2.gz GEJRXCGNWDKZAK-UHFFFAOYSA-N 0 0 379.233 3.140 20 30 GGEDRN CS[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)C(C)(C)C ZINC000433875433 567281763 /nfs/dbraw/zinc/28/17/63/567281763.db2.gz RKQMKBLMZITASJ-ZDUSSCGKSA-N 0 0 391.356 3.377 20 30 GGEDRN N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC3CCC2CC3)c1Br ZINC000567833489 567281914 /nfs/dbraw/zinc/28/19/14/567281914.db2.gz 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/nfs/dbraw/zinc/31/34/62/567313462.db2.gz FOJJVIPFYFPKFV-ZDUSSCGKSA-N 0 0 377.897 3.292 20 30 GGEDRN C[C@]1(C#N)CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000617477434 567314099 /nfs/dbraw/zinc/31/40/99/567314099.db2.gz UZCIPBGHWOFYFA-CYBMUJFWSA-N 0 0 377.691 3.417 20 30 GGEDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000476314758 567314711 /nfs/dbraw/zinc/31/47/11/567314711.db2.gz PTPUUIRLFCQXDJ-OYLFLEFRSA-N 0 0 382.551 3.221 20 30 GGEDRN Cn1cc(Br)cc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)c1=O ZINC000455873046 567316006 /nfs/dbraw/zinc/31/60/06/567316006.db2.gz WZGHZYNFIKIBTH-UHFFFAOYSA-N 0 0 388.265 3.227 20 30 GGEDRN Cc1onc(CC(=O)N(Cc2csc(Br)c2)C2CC2)c1C#N ZINC000500358301 567316312 /nfs/dbraw/zinc/31/63/12/567316312.db2.gz DKXPPTNCXQIGIK-UHFFFAOYSA-N 0 0 380.267 3.412 20 30 GGEDRN CCC(=O)Nc1cccc(CNS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000548446743 567316834 /nfs/dbraw/zinc/31/68/34/567316834.db2.gz NSVMWZQOZZWNEF-UHFFFAOYSA-N 0 0 377.853 3.039 20 30 GGEDRN Cn1ncc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1C#N ZINC000476344211 567317502 /nfs/dbraw/zinc/31/75/02/567317502.db2.gz WWVUGMKODJDGQN-UHFFFAOYSA-N 0 0 388.250 3.430 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)NCCc2c[nH]c3cc(F)ccc23)c1 ZINC000476339137 567317545 /nfs/dbraw/zinc/31/75/45/567317545.db2.gz DUSYFZHESCLWPP-UHFFFAOYSA-N 0 0 377.828 3.353 20 30 GGEDRN N#CC[C@]1(O)CCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000592149269 567318227 /nfs/dbraw/zinc/31/82/27/567318227.db2.gz LXSQOEPAFKJKEK-WMZOPIPTSA-N 0 0 382.291 3.007 20 30 GGEDRN N#CC[C@@]1(O)CCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000592149268 567318546 /nfs/dbraw/zinc/31/85/46/567318546.db2.gz LXSQOEPAFKJKEK-SJLPKXTDSA-N 0 0 382.291 3.007 20 30 GGEDRN C=CC[C@H](CC)NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000455906323 567319733 /nfs/dbraw/zinc/31/97/33/567319733.db2.gz RTPFQMGXBDGHSC-AWEZNQCLSA-N 0 0 396.333 3.072 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCOc3ccc(Br)cc32)c(F)c1 ZINC000527210228 567319918 /nfs/dbraw/zinc/31/99/18/567319918.db2.gz FWTJIHBBMFWBEL-UHFFFAOYSA-N 0 0 397.225 3.048 20 30 GGEDRN Cc1cccc(Cl)c1S(=O)(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000568370236 567322461 /nfs/dbraw/zinc/32/24/61/567322461.db2.gz PZRHJYKXKJNSMI-UHFFFAOYSA-N 0 0 375.881 3.290 20 30 GGEDRN C=CCN(C(=O)c1c(O)cnc2c(Br)cccc21)[C@@H](C)COC ZINC000617583428 567323265 /nfs/dbraw/zinc/32/32/65/567323265.db2.gz IGSZGLVSPQEMOF-NSHDSACASA-N 0 0 379.254 3.366 20 30 GGEDRN C=CCN(C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[C@@H](C)COC ZINC000617577817 567323297 /nfs/dbraw/zinc/32/32/97/567323297.db2.gz WKXODAZIWJCGLQ-ZDUSSCGKSA-N 0 0 384.929 3.303 20 30 GGEDRN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000500452675 567323351 /nfs/dbraw/zinc/32/33/51/567323351.db2.gz BVSYKQJLDYOAEL-UTUOFQBUSA-N 0 0 378.270 3.152 20 30 GGEDRN C=CCN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)[C@@H](C)COC ZINC000617576582 567323363 /nfs/dbraw/zinc/32/33/63/567323363.db2.gz XHMASQOOBRBFCB-LBPRGKRZSA-N 0 0 379.507 3.049 20 30 GGEDRN CCOc1ccc2c(c1)CCN(S(=O)(=O)c1cc(C#N)ccc1Cl)C2 ZINC000476420088 567323510 /nfs/dbraw/zinc/32/35/10/567323510.db2.gz UOGPQPHQTDIQGR-UHFFFAOYSA-N 0 0 376.865 3.357 20 30 GGEDRN C=CCN(C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[C@@H](C)COC ZINC000617584813 567323557 /nfs/dbraw/zinc/32/35/57/567323557.db2.gz MBNMLXQDEHRIEK-LBPRGKRZSA-N 0 0 383.279 3.296 20 30 GGEDRN C=CCN(C(=O)c1ccn(-c2ccc(Br)cc2)n1)[C@@H](C)COC ZINC000617583500 567323587 /nfs/dbraw/zinc/32/35/87/567323587.db2.gz KALCZEHGZBNOCS-ZDUSSCGKSA-N 0 0 378.270 3.298 20 30 GGEDRN C=CCN(C(=O)c1c(O)cnc2c(Br)cccc21)[C@H](C)COC ZINC000617583427 567323897 /nfs/dbraw/zinc/32/38/97/567323897.db2.gz IGSZGLVSPQEMOF-LLVKDONJSA-N 0 0 379.254 3.366 20 30 GGEDRN Cc1ccc2c(c1)CCN2S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000527247140 567323968 /nfs/dbraw/zinc/32/39/68/567323968.db2.gz CJAAEGFKZIFBJC-UHFFFAOYSA-N 0 0 377.263 3.381 20 30 GGEDRN CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000617601108 567325362 /nfs/dbraw/zinc/32/53/62/567325362.db2.gz FXQIUNSCCFDZGF-HNNXBMFYSA-N 0 0 386.240 3.033 20 30 GGEDRN Cn1ncc(C(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)c1C#N ZINC000527260018 567325431 /nfs/dbraw/zinc/32/54/31/567325431.db2.gz GSBJGYYASPTOGE-OAHLLOKOSA-N 0 0 387.281 3.195 20 30 GGEDRN C=CC(C)(C)CNC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000455961006 567325667 /nfs/dbraw/zinc/32/56/67/567325667.db2.gz YBZPLADCMZEEHZ-UHFFFAOYSA-N 0 0 383.290 3.014 20 30 GGEDRN C=CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000617616274 567326566 /nfs/dbraw/zinc/32/65/66/567326566.db2.gz PQEKGMKECNIRBX-CQSZACIVSA-N 0 0 379.298 3.302 20 30 GGEDRN C=CCCNC(=O)c1ccc(Br)cc1C1(C(=O)NCCC=C)CC1 ZINC000617619532 567326646 /nfs/dbraw/zinc/32/66/46/567326646.db2.gz ZIZRYKWUVPXCPL-UHFFFAOYSA-N 0 0 391.309 3.479 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC1CC(C)(C)C1 ZINC000568414534 567327185 /nfs/dbraw/zinc/32/71/85/567327185.db2.gz NPMNKJWWBICKJC-UHFFFAOYSA-N 0 0 381.270 3.257 20 30 GGEDRN COc1cc(Br)cc(S(=O)(=O)N2CCCC(C)(C)[C@@H]2C#N)c1 ZINC000434773546 567327317 /nfs/dbraw/zinc/32/73/17/567327317.db2.gz FAHLIVGJALVIBS-AWEZNQCLSA-N 0 0 387.299 3.161 20 30 GGEDRN CO[C@@H](c1ccc(F)cc1)[C@H](C)NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476507754 567329572 /nfs/dbraw/zinc/32/95/72/567329572.db2.gz IBYKTYZFJSQYDQ-APPDUMDISA-N 0 0 382.844 3.405 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N2CCCC[C@H]2C2CCC2)ccc1Br ZINC000592318535 567330458 /nfs/dbraw/zinc/33/04/58/567330458.db2.gz GKJLJLATIRIBOS-INIZCTEOSA-N 0 0 390.281 3.440 20 30 GGEDRN Cc1ccc2c(ncc(C#N)c2N2CCN(c3ncc[nH]3)CC2)c1Br ZINC000568457777 567330669 /nfs/dbraw/zinc/33/06/69/567330669.db2.gz MXSCGZMQYNHQRT-UHFFFAOYSA-N 0 0 397.280 3.227 20 30 GGEDRN Cc1cc2c(cc1[N+](=O)[O-])N(S(=O)(=O)c1cc(C#N)ccc1Cl)CC2 ZINC000476511622 567331365 /nfs/dbraw/zinc/33/13/65/567331365.db2.gz SQDTUJIMFICTMH-UHFFFAOYSA-N 0 0 377.809 3.180 20 30 GGEDRN Cn1ncc(C(=O)NCc2ccc(Br)cc2C(F)(F)F)c1C#N ZINC000476530945 567332265 /nfs/dbraw/zinc/33/22/65/567332265.db2.gz HONPKIVIBOBENS-UHFFFAOYSA-N 0 0 387.159 3.003 20 30 GGEDRN N#CCN(C(=O)CN(C#N)c1ccc(F)c(Br)c1)c1ccccc1 ZINC000476530390 567332429 /nfs/dbraw/zinc/33/24/29/567332429.db2.gz DVBGLQBLWSSRNX-UHFFFAOYSA-N 0 0 387.212 3.432 20 30 GGEDRN CC(C)OC[C@H](O)COc1c(Br)cc(C#N)cc1Br ZINC000592361023 567332692 /nfs/dbraw/zinc/33/26/92/567332692.db2.gz FBCCWZSYLQVIOW-JTQLQIEISA-N 0 0 393.075 3.248 20 30 GGEDRN CN(C(=O)COc1c(Br)cc(C#N)cc1Br)C1CC1 ZINC000592361191 567332792 /nfs/dbraw/zinc/33/27/92/567332792.db2.gz QVEXEDLASBYEDO-UHFFFAOYSA-N 0 0 388.059 3.083 20 30 GGEDRN C=CCCn1cc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)nn1 ZINC000617776279 567334261 /nfs/dbraw/zinc/33/42/61/567334261.db2.gz NCXIYDFQEWYAGU-UHFFFAOYSA-N 0 0 380.279 3.123 20 30 GGEDRN C=CC[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000617788686 567334338 /nfs/dbraw/zinc/33/43/38/567334338.db2.gz OUPTWLYNLBCPAL-CQSZACIVSA-N 0 0 379.298 3.384 20 30 GGEDRN C=CC[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)C1 ZINC000617785496 567334399 /nfs/dbraw/zinc/33/43/99/567334399.db2.gz KRAHHOQRPGRLBR-NWDGAFQWSA-N 0 0 385.327 3.444 20 30 GGEDRN COc1ccc(CCNC(=O)c2ncc(C#N)cc2Cl)c(Cl)c1OC ZINC000500622097 567334364 /nfs/dbraw/zinc/33/43/64/567334364.db2.gz BWHKMMHVOSQOOM-UHFFFAOYSA-N 0 0 380.231 3.250 20 30 GGEDRN CC(C)(C)[C@@H](C#N)NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000592382292 567334865 /nfs/dbraw/zinc/33/48/65/567334865.db2.gz OFFHZYZFWJLOMN-GFCCVEGCSA-N 0 0 379.707 3.460 20 30 GGEDRN CN(CC(=O)NC1(C#N)CCC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000527377619 567334956 /nfs/dbraw/zinc/33/49/56/567334956.db2.gz GAAAKTANMPZDHG-AWEZNQCLSA-N 0 0 394.338 3.480 20 30 GGEDRN CN(C1(C#N)CCC1)S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000592382378 567335023 /nfs/dbraw/zinc/33/50/23/567335023.db2.gz PWWMSEASAWZOBA-UHFFFAOYSA-N 0 0 377.691 3.310 20 30 GGEDRN N#CC1(NC(=O)CN2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)CCC1 ZINC000527377533 567335233 /nfs/dbraw/zinc/33/52/33/567335233.db2.gz LLDWREKMZCOXRS-HNNXBMFYSA-N 0 0 386.254 3.068 20 30 GGEDRN N#CCCN(C(=O)Cn1cc(Br)cn1)C12CC3CC(CC(C3)C1)C2 ZINC000548601966 567336557 /nfs/dbraw/zinc/33/65/57/567336557.db2.gz GFSNDPBZSFNCHD-UHFFFAOYSA-N 0 0 391.313 3.357 20 30 GGEDRN CC(C)[C@@H]1N(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC12CCC2 ZINC000568523305 567336569 /nfs/dbraw/zinc/33/65/69/567336569.db2.gz AJDKQWILYFAGOG-HNNXBMFYSA-N 0 0 390.281 3.296 20 30 GGEDRN COc1ccc(C#N)cc1CSCCOc1cccc(S(C)(=O)=O)c1 ZINC000434940984 567336817 /nfs/dbraw/zinc/33/68/17/567336817.db2.gz ZYHNTIWJAYQZKN-UHFFFAOYSA-N 0 0 377.487 3.283 20 30 GGEDRN N#Cc1cc(Br)ccc1NCCCN1C(=O)c2ccccc2C1=O ZINC000568545122 567337457 /nfs/dbraw/zinc/33/74/57/567337457.db2.gz YOHIKPQTEXHWEG-UHFFFAOYSA-N 0 0 384.233 3.419 20 30 GGEDRN N#Cc1ccc(C(=O)NCC(=O)Nc2cccc(Br)c2)cc1Cl ZINC000548614313 567337574 /nfs/dbraw/zinc/33/75/74/567337574.db2.gz WAPMHKIRHGMLIT-UHFFFAOYSA-N 0 0 392.640 3.343 20 30 GGEDRN C[C@@H](NC(=O)c1cnccc1C#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000568556434 567337823 /nfs/dbraw/zinc/33/78/23/567337823.db2.gz TYDDZOFSEWVKII-SNVBAGLBSA-N 0 0 398.220 3.257 20 30 GGEDRN N#Cc1ccc(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000548618045 567337983 /nfs/dbraw/zinc/33/79/83/567337983.db2.gz LLRSNTDVFMRRHI-UHFFFAOYSA-N 0 0 383.256 3.069 20 30 GGEDRN C=CCn1c(-c2cc(Br)cn2C)nnc1N(C[C@@H](C)OC)C(C)C ZINC000568567219 567338466 /nfs/dbraw/zinc/33/84/66/567338466.db2.gz KKVVFXLCUSKWRT-CYBMUJFWSA-N 0 0 396.333 3.482 20 30 GGEDRN N#Cc1cc(Br)cn(CC(=O)Nc2cccc3ccccc32)c1=O ZINC000568566459 567339053 /nfs/dbraw/zinc/33/90/53/567339053.db2.gz KSZSDGLUONUSOG-UHFFFAOYSA-N 0 0 382.217 3.274 20 30 GGEDRN C=CCOc1c(Br)cc(CN2CC(=O)N(CC3CC3)C2)cc1OC ZINC000435027262 567339149 /nfs/dbraw/zinc/33/91/49/567339149.db2.gz POCDAMYHLCBSJK-UHFFFAOYSA-N 0 0 395.297 3.034 20 30 GGEDRN CSC[C@@H](O)COc1c(Br)cc(C#N)cc1Br ZINC000592446615 567339358 /nfs/dbraw/zinc/33/93/58/567339358.db2.gz JDHBMHRGEXIJKN-QMMMGPOBSA-N 0 0 381.089 3.186 20 30 GGEDRN CC(C)(CO)[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cccs1 ZINC000568567550 567339361 /nfs/dbraw/zinc/33/93/61/567339361.db2.gz QRRXBEYJTYBIAJ-OAHLLOKOSA-N 0 0 384.910 3.311 20 30 GGEDRN CCOCC[C@H](O)COc1c(Br)cc(C#N)cc1Br ZINC000592446566 567339832 /nfs/dbraw/zinc/33/98/32/567339832.db2.gz HDWSBBJPAXLXCF-JTQLQIEISA-N 0 0 393.075 3.250 20 30 GGEDRN C=CCCO[C@@H](C)C(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000500710118 567340724 /nfs/dbraw/zinc/34/07/24/567340724.db2.gz DCUOHEHQWCUMHD-ZDUSSCGKSA-N 0 0 387.307 3.439 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCc2cc(F)cc(F)c2)cc1C(F)(F)F ZINC000435150937 567344037 /nfs/dbraw/zinc/34/40/37/567344037.db2.gz FQSPJBYTDHYFGU-UHFFFAOYSA-N 0 0 376.306 3.334 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCc2ccc(F)c(F)c2)cc1C(F)(F)F ZINC000435161358 567344152 /nfs/dbraw/zinc/34/41/52/567344152.db2.gz BZCNUYBXKVOLNI-UHFFFAOYSA-N 0 0 376.306 3.334 20 30 GGEDRN C=CCOCCCC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000500790927 567344987 /nfs/dbraw/zinc/34/49/87/567344987.db2.gz MWDFQLHXPSGAGG-UHFFFAOYSA-N 0 0 399.304 3.215 20 30 GGEDRN CN(CCOc1ccccc1Cl)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500790751 567345839 /nfs/dbraw/zinc/34/58/39/567345839.db2.gz DCEYNNQGVOBIAK-UHFFFAOYSA-N 0 0 382.844 3.191 20 30 GGEDRN C=CCOc1ccccc1CNC(=O)Nc1c(Br)c(C)nn1C ZINC000640164337 567347535 /nfs/dbraw/zinc/34/75/35/567347535.db2.gz NZQJWOIPDWQDKX-UHFFFAOYSA-N 0 0 379.258 3.378 20 30 GGEDRN Cc1cc(NC(=O)c2c3ccc(Br)cc3nn2C)n(CCC#N)n1 ZINC000592586409 567347663 /nfs/dbraw/zinc/34/76/63/567347663.db2.gz FJMGSMRZUIZTGX-UHFFFAOYSA-N 0 0 387.241 3.007 20 30 GGEDRN N#Cc1cc(NCCOc2c(Cl)cc(Br)cc2Cl)ncn1 ZINC000617964448 567348537 /nfs/dbraw/zinc/34/85/37/567348537.db2.gz LGFBIODDUGGZRO-UHFFFAOYSA-N 0 0 388.052 3.330 20 30 GGEDRN C[C@H](CC(=O)Nc1nn(C(C)(C)C)cc1C#N)n1cc(Br)cn1 ZINC000592602723 567349339 /nfs/dbraw/zinc/34/93/39/567349339.db2.gz RGDFKEDHZXKFTP-SNVBAGLBSA-N 0 0 379.262 3.059 20 30 GGEDRN C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2ccc(C#N)cn2)C1=O ZINC000548779337 567349919 /nfs/dbraw/zinc/34/99/19/567349919.db2.gz FVQVTZIMSQZWBH-QGZVFWFLSA-N 0 0 375.215 3.227 20 30 GGEDRN CN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(F)ccc1Br ZINC000435226483 567350937 /nfs/dbraw/zinc/35/09/37/567350937.db2.gz MQZISGQYYAZQDQ-UHFFFAOYSA-N 0 0 383.242 3.281 20 30 GGEDRN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(C)cc(I)c1 ZINC000500885137 567351849 /nfs/dbraw/zinc/35/18/49/567351849.db2.gz CXHIHIGNHUQILA-CQSZACIVSA-N 0 0 398.244 3.105 20 30 GGEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCCC[C@H]1CS(C)(=O)=O ZINC000456205215 567352160 /nfs/dbraw/zinc/35/21/60/567352160.db2.gz XMGFGEAJYFPYBJ-AWEZNQCLSA-N 0 0 376.503 3.121 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)NC[C@@H]2SCCc3ccccc32)c1 ZINC000500910591 567352899 /nfs/dbraw/zinc/35/28/99/567352899.db2.gz BMCXULYQMGAWLL-SFHVURJKSA-N 0 0 376.478 3.147 20 30 GGEDRN N#CCCC1CCN(C(=O)C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000568746071 567353410 /nfs/dbraw/zinc/35/34/10/567353410.db2.gz BUVSRGDPYWQBDH-UHFFFAOYSA-N 0 0 382.233 3.069 20 30 GGEDRN CN(CC(=O)N1CCC(CCC#N)CC1)C(=O)c1ccc(Br)s1 ZINC000568751519 567353866 /nfs/dbraw/zinc/35/38/66/567353866.db2.gz ITPPBPAOBLPULI-UHFFFAOYSA-N 0 0 398.326 3.125 20 30 GGEDRN Cc1onc(CC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)c1C#N ZINC000456261285 567356303 /nfs/dbraw/zinc/35/63/03/567356303.db2.gz CSOPHXDFQXDCJM-CYBMUJFWSA-N 0 0 378.201 3.103 20 30 GGEDRN COc1ccc(Br)cc1C(=O)CCC(=O)N([C@@H](C)C#N)C1CC1 ZINC000618105655 567356935 /nfs/dbraw/zinc/35/69/35/567356935.db2.gz JJEFBHZYQOCUEW-NSHDSACASA-N 0 0 379.254 3.324 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N2CC3(CC3)c3ccccc32)cc1Br ZINC000501016088 567359117 /nfs/dbraw/zinc/35/91/17/567359117.db2.gz DFKFFKVXRRMXKQ-UHFFFAOYSA-N 0 0 396.244 3.338 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCS[C@H]1C ZINC000592738072 567359306 /nfs/dbraw/zinc/35/93/06/567359306.db2.gz YIVYWSBOKSRTIR-GXFFZTMASA-N 0 0 399.310 3.108 20 30 GGEDRN O=C(NCC#Cc1cccc(F)c1)c1cccc(F)c1I ZINC000548902427 567359796 /nfs/dbraw/zinc/35/97/96/567359796.db2.gz OAZQXIQPASQYTJ-UHFFFAOYSA-N 0 0 397.162 3.351 20 30 GGEDRN C=CCN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@@H](C)COC ZINC000661244504 567360796 /nfs/dbraw/zinc/36/07/96/567360796.db2.gz TZOSPJXBBUWCKP-AWEZNQCLSA-N 0 0 380.535 3.237 20 30 GGEDRN CCOC(=O)C1(CNC(=O)Nc2ccc(C#N)c(Br)c2)CCC1 ZINC000568861467 567361507 /nfs/dbraw/zinc/36/15/07/567361507.db2.gz KFFSEZKAXNBWIB-UHFFFAOYSA-N 0 0 380.242 3.176 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)s1 ZINC000435425067 567361636 /nfs/dbraw/zinc/36/16/36/567361636.db2.gz BLHDRWLQJCEXFL-CYBMUJFWSA-N 0 0 378.475 3.419 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCc2ccc(OCC(F)(F)F)cc2)s1 ZINC000435426820 567362227 /nfs/dbraw/zinc/36/22/27/567362227.db2.gz JYGBMUBRBPGPEU-UHFFFAOYSA-N 0 0 376.381 3.039 20 30 GGEDRN Cc1[nH]c(C#N)cc1C(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000456313155 567362247 /nfs/dbraw/zinc/36/22/47/567362247.db2.gz UQPVAHLKZVHHSX-UHFFFAOYSA-N 0 0 389.253 3.046 20 30 GGEDRN N#Cc1ccnc(N2CCN(Cc3c(F)ccc(Br)c3F)CC2)c1 ZINC000501080420 567362240 /nfs/dbraw/zinc/36/22/40/567362240.db2.gz XWTPNPGPKJFOGM-UHFFFAOYSA-N 0 0 393.235 3.316 20 30 GGEDRN N#Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)o1 ZINC000501076931 567362433 /nfs/dbraw/zinc/36/24/33/567362433.db2.gz UEZSDPAQSAMOPK-OAHLLOKOSA-N 0 0 379.185 3.267 20 30 GGEDRN C[C@@](C#N)(NC(=O)COc1cc(F)c(Br)cc1Cl)C1CC1 ZINC000548950329 567362527 /nfs/dbraw/zinc/36/25/27/567362527.db2.gz ANHBNERDEICXPM-AWEZNQCLSA-N 0 0 375.625 3.429 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCCOCc2ccc(Cl)cc2Cl)s1 ZINC000435425193 567362701 /nfs/dbraw/zinc/36/27/01/567362701.db2.gz CNMZWFJYAKZZOT-UHFFFAOYSA-N 0 0 391.301 3.422 20 30 GGEDRN N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000435427366 567363040 /nfs/dbraw/zinc/36/30/40/567363040.db2.gz MNHVSIVRJASUHN-HZPDHXFCSA-N 0 0 395.253 3.294 20 30 GGEDRN COCCSc1ccc([C@H](C)NS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435427016 567363183 /nfs/dbraw/zinc/36/31/83/567363183.db2.gz KPWQTGVAXHXLTF-LBPRGKRZSA-N 0 0 382.532 3.398 20 30 GGEDRN CCCCOc1ccc(CNS(=O)(=O)c2ccc(C#N)s2)cc1OC ZINC000435429171 567363253 /nfs/dbraw/zinc/36/32/53/567363253.db2.gz WGNMUOKZZRCTJJ-UHFFFAOYSA-N 0 0 380.491 3.286 20 30 GGEDRN CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C#N)s2)cc1OCC ZINC000435426587 567363415 /nfs/dbraw/zinc/36/34/15/567363415.db2.gz IVSARGCQMVPUJK-GFCCVEGCSA-N 0 0 380.491 3.457 20 30 GGEDRN COCCOc1ccc(C#N)cc1NCc1ncc(Br)cc1F ZINC000527691297 567363596 /nfs/dbraw/zinc/36/35/96/567363596.db2.gz JXWBBDPIASCJHI-UHFFFAOYSA-N 0 0 380.217 3.492 20 30 GGEDRN CCCN([C@H](C)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435432568 567364226 /nfs/dbraw/zinc/36/42/26/567364226.db2.gz NSFXFHLDWWTPBQ-CYBMUJFWSA-N 0 0 377.491 3.048 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)s1)c1ccc(Br)s1 ZINC000435432528 567364260 /nfs/dbraw/zinc/36/42/60/567364260.db2.gz NPFYCPRMJCQBNZ-SSDOTTSWSA-N 0 0 377.310 3.483 20 30 GGEDRN COc1ccccc1C1(CNS(=O)(=O)c2ccc(C#N)s2)CCCC1 ZINC000435432257 567364701 /nfs/dbraw/zinc/36/47/01/567364701.db2.gz MJDUWPFLPBMJAY-UHFFFAOYSA-N 0 0 376.503 3.419 20 30 GGEDRN C=CCC1(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)CCOCC1 ZINC000618246344 567365035 /nfs/dbraw/zinc/36/50/35/567365035.db2.gz GMBODUZXXDDLLU-UHFFFAOYSA-N 0 0 390.281 3.490 20 30 GGEDRN C=C(C)CS(=O)(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000435433024 567364871 /nfs/dbraw/zinc/36/48/71/567364871.db2.gz LWGOTYYLIZPJGM-UHFFFAOYSA-N 0 0 388.327 3.336 20 30 GGEDRN N#CCCC1CCN(C(=O)Cc2cccc(I)c2)CC1 ZINC000592819444 567365046 /nfs/dbraw/zinc/36/50/46/567365046.db2.gz QPKIRDRQKQUCLE-UHFFFAOYSA-N 0 0 382.245 3.376 20 30 GGEDRN C=CCC1(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CCOCC1 ZINC000618245894 567365471 /nfs/dbraw/zinc/36/54/71/567365471.db2.gz NKUMWELWXGORKR-HNNXBMFYSA-N 0 0 380.897 3.384 20 30 GGEDRN C=CCC1(NC(=O)c2cnn(-c3cccc(Br)c3)c2)CCOCC1 ZINC000618247665 567365606 /nfs/dbraw/zinc/36/56/06/567365606.db2.gz FSOQBYNCLABOQD-UHFFFAOYSA-N 0 0 390.281 3.490 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NC2(c3ccc(Br)cc3)CC2)s1 ZINC000435433960 567365764 /nfs/dbraw/zinc/36/57/64/567365764.db2.gz VMKMSSMTCMOQLY-UHFFFAOYSA-N 0 0 383.292 3.350 20 30 GGEDRN COc1ccc(CNS(=O)(=O)c2ccc(C#N)s2)c(C(F)(F)F)c1 ZINC000435435102 567365863 /nfs/dbraw/zinc/36/58/63/567365863.db2.gz WWXNMEPEOLNRKE-UHFFFAOYSA-N 0 0 376.381 3.126 20 30 GGEDRN C=CCNC(=O)c1ccc(N2CCOc3ccc(Br)cc3C2)nc1 ZINC000548987704 567365944 /nfs/dbraw/zinc/36/59/44/567365944.db2.gz RGQMIVKBWWKAGR-UHFFFAOYSA-N 0 0 388.265 3.159 20 30 GGEDRN N#CCSc1ccccc1NC(=O)Cn1cc(Br)cc(F)c1=O ZINC000568919041 567366180 /nfs/dbraw/zinc/36/61/80/567366180.db2.gz SLXSWYHKFLENTM-UHFFFAOYSA-N 0 0 396.241 3.004 20 30 GGEDRN CCN(CCCNc1c(C#N)cnc2c(Cl)cc(C)cc21)S(C)(=O)=O ZINC000548987481 567366620 /nfs/dbraw/zinc/36/66/20/567366620.db2.gz JNOJWQKVWJNXOJ-UHFFFAOYSA-N 0 0 380.901 3.152 20 30 GGEDRN C=CCC1(NC(=O)c2c(C)nc3ccc(Br)cn32)CCOCC1 ZINC000618250870 567367040 /nfs/dbraw/zinc/36/70/40/567367040.db2.gz SFPKWEGDWCQBPA-UHFFFAOYSA-N 0 0 378.270 3.260 20 30 GGEDRN Cn1c(CC#N)nnc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000477039374 567367064 /nfs/dbraw/zinc/36/70/64/567367064.db2.gz LFBOUKKQHZMNTJ-UHFFFAOYSA-N 0 0 389.790 3.284 20 30 GGEDRN C=CCC1(NC(=O)COc2ccc(Br)cc2C(C)=O)CCOCC1 ZINC000618250941 567367096 /nfs/dbraw/zinc/36/70/96/567367096.db2.gz VVLRGNOBGVNDQC-UHFFFAOYSA-N 0 0 396.281 3.272 20 30 GGEDRN CCOc1cccc([C@@H]2C[C@H]2NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000435437810 567367668 /nfs/dbraw/zinc/36/76/68/567367668.db2.gz MKZZRCRSYOAKIZ-DOTOQJQBSA-N 0 0 376.865 3.445 20 30 GGEDRN N#CC[C@]1(O)CCN(C(=O)C2(c3cccc(Br)c3)CCCC2)C1 ZINC000592837587 567368141 /nfs/dbraw/zinc/36/81/41/567368141.db2.gz GRPSYINOGXSWAO-KRWDZBQOSA-N 0 0 377.282 3.138 20 30 GGEDRN C=CCn1cc(CNC(=O)N[C@H](CC)Cc2ccc(Br)cc2)nn1 ZINC000661338243 567368127 /nfs/dbraw/zinc/36/81/27/567368127.db2.gz GQZMPVLAJYPNCQ-OAHLLOKOSA-N 0 0 392.301 3.047 20 30 GGEDRN N#CC[C@]1(O)CCN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)C1 ZINC000592843132 567368577 /nfs/dbraw/zinc/36/85/77/567368577.db2.gz NXXCQOQWVJUWMP-HNNXBMFYSA-N 0 0 382.645 3.074 20 30 GGEDRN CC1(C)[C@H](NC(=O)COc2cccc(Br)c2C#N)[C@H]2CCCO[C@H]21 ZINC000568956145 567369140 /nfs/dbraw/zinc/36/91/40/567369140.db2.gz GNCBCRNQPYTXNE-SSKCKEOISA-N 0 0 393.281 3.019 20 30 GGEDRN N#Cc1ccc(OCC(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1Br ZINC000568958401 567369217 /nfs/dbraw/zinc/36/92/17/567369217.db2.gz BVFMRUYZBYOSHR-KRWDZBQOSA-N 0 0 375.266 3.491 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000435444370 567369830 /nfs/dbraw/zinc/36/98/30/567369830.db2.gz WMLGRQLXPXXKAZ-ZFWWWQNUSA-N 0 0 386.857 3.221 20 30 GGEDRN CN(Cc1ccc(Br)cc1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000477085566 567369932 /nfs/dbraw/zinc/36/99/32/567369932.db2.gz SSPSKQLYHPDFNZ-KRWDZBQOSA-N 0 0 398.260 3.085 20 30 GGEDRN Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N1CC[C@](O)(CC#N)C1 ZINC000592853286 567370050 /nfs/dbraw/zinc/37/00/50/567370050.db2.gz QNWFGTCCRBPXOU-QGZVFWFLSA-N 0 0 380.231 3.448 20 30 GGEDRN Cn1ccnc1[C@H](NS(=O)(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000435442905 567370281 /nfs/dbraw/zinc/37/02/81/567370281.db2.gz LAUFWFKFYVVJQV-OAHLLOKOSA-N 0 0 392.893 3.075 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)s1 ZINC000435446364 567370302 /nfs/dbraw/zinc/37/03/02/567370302.db2.gz JWDONSIZBVRPGZ-LBPRGKRZSA-N 0 0 381.910 3.220 20 30 GGEDRN C=C(C)CS(=O)(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000435445658 567370311 /nfs/dbraw/zinc/37/03/11/567370311.db2.gz GCRAMHOWFJWCNZ-LBPRGKRZSA-N 0 0 393.290 3.108 20 30 GGEDRN N#Cc1ccc(CNC(=O)c2cc(Br)cnc2OCC2CC2)s1 ZINC000568973545 567370768 /nfs/dbraw/zinc/37/07/68/567370768.db2.gz ULEXHIRQWCOCSQ-UHFFFAOYSA-N 0 0 392.278 3.496 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)s1 ZINC000435448430 567371087 /nfs/dbraw/zinc/37/10/87/567371087.db2.gz VXZIMUBIWWSTCH-HNNXBMFYSA-N 0 0 380.466 3.129 20 30 GGEDRN CS(=O)(=O)c1cc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cs1 ZINC000501186564 567371431 /nfs/dbraw/zinc/37/14/31/567371431.db2.gz NASAOAVLQCFHFM-LBPRGKRZSA-N 0 0 388.392 3.165 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2Br)s1 ZINC000435491230 567372193 /nfs/dbraw/zinc/37/21/93/567372193.db2.gz AOCSPLKKVOBGRI-UHFFFAOYSA-N 0 0 379.207 3.461 20 30 GGEDRN CN(C)S(=O)(=O)c1ccc(Sc2ccc(C#N)cc2F)c([N+](=O)[O-])c1 ZINC000477113356 567372136 /nfs/dbraw/zinc/37/21/36/567372136.db2.gz UCRYMFNIZXHCCL-UHFFFAOYSA-N 0 0 381.410 3.007 20 30 GGEDRN Cc1nn(Cc2ccc(I)c(Cl)c2)c(=O)c(C#N)c1C ZINC000435484955 567372938 /nfs/dbraw/zinc/37/29/38/567372938.db2.gz ZUOUFLJPKAYTCR-UHFFFAOYSA-N 0 0 399.619 3.038 20 30 GGEDRN N#Cc1ccnc(N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000477141354 567373561 /nfs/dbraw/zinc/37/35/61/567373561.db2.gz UYTLEHGKYPGRCG-NSHDSACASA-N 0 0 378.219 3.281 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000435584665 567375197 /nfs/dbraw/zinc/37/51/97/567375197.db2.gz NAXRTYKYBMQCFJ-BMIGLBTASA-N 0 0 380.293 3.262 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1sc(C)cc1Br ZINC000435578482 567375928 /nfs/dbraw/zinc/37/59/28/567375928.db2.gz IEKGGRRNGXYOHB-JQWIXIFHSA-N 0 0 380.329 3.079 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000435588910 567376612 /nfs/dbraw/zinc/37/66/12/567376612.db2.gz PAUMSEIUXHSJMM-LKFCYVNXSA-N 0 0 386.782 3.463 20 30 GGEDRN C=CCNc1ncc(C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)s1 ZINC000640420987 567376680 /nfs/dbraw/zinc/37/66/80/567376680.db2.gz AHBCAUJUHBUDGV-UHFFFAOYSA-N 0 0 376.507 3.309 20 30 GGEDRN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2Cc2cc(C#N)ccc2Br)O1 ZINC000549169032 567377170 /nfs/dbraw/zinc/37/71/70/567377170.db2.gz SVGQPXTUYPCQCL-JKEMJCCQSA-N 0 0 393.281 3.004 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1Br ZINC000435587399 567377251 /nfs/dbraw/zinc/37/72/51/567377251.db2.gz CNHXKRBYYBEQPC-QMTHXVAHSA-N 0 0 394.718 3.362 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000435587914 567377444 /nfs/dbraw/zinc/37/74/44/567377444.db2.gz JNEZCNBDKPLBFQ-BMIGLBTASA-N 0 0 380.293 3.262 20 30 GGEDRN C=CCCC1(C(=O)NC[C@H](CO)Cc2ccc(OC)c(Br)c2)CC1 ZINC000456475929 567377761 /nfs/dbraw/zinc/37/77/61/567377761.db2.gz BVBVBKFEBANTKT-OAHLLOKOSA-N 0 0 396.325 3.471 20 30 GGEDRN Cc1ccc(C[C@@H](CO)CNC(=O)c2cc(C#N)cs2)cc1Br ZINC000456475127 567378114 /nfs/dbraw/zinc/37/81/14/567378114.db2.gz BIYXEUXINQXKHY-CQSZACIVSA-N 0 0 393.306 3.272 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNc1ncnc2ccc(I)cc21 ZINC000435602114 567378495 /nfs/dbraw/zinc/37/84/95/567378495.db2.gz SUZMYHFZOJDSMO-NHYWBVRUSA-N 0 0 395.244 3.049 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNc1ncnc2ccc(I)cc21 ZINC000435602112 567378590 /nfs/dbraw/zinc/37/85/90/567378590.db2.gz SUZMYHFZOJDSMO-ABAIWWIYSA-N 0 0 395.244 3.049 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1Cl ZINC000435604114 567378704 /nfs/dbraw/zinc/37/87/04/567378704.db2.gz NJRUFTQBWCOOEV-XHDPSFHLSA-N 0 0 386.782 3.463 20 30 GGEDRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NCCCC#N ZINC000477182684 567379016 /nfs/dbraw/zinc/37/90/16/567379016.db2.gz ZZRDEIGKZMVLIT-INIZCTEOSA-N 0 0 382.302 3.390 20 30 GGEDRN Cc1nc(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)ccc1C#N ZINC000501299688 567379017 /nfs/dbraw/zinc/37/90/17/567379017.db2.gz CMPUCYXICVURGO-CQSZACIVSA-N 0 0 376.185 3.027 20 30 GGEDRN O=C(NCC#Cc1cccc(F)c1)NCCNc1cccc(Br)c1 ZINC000549201816 567379375 /nfs/dbraw/zinc/37/93/75/567379375.db2.gz NHLBNPYQIUPDGZ-UHFFFAOYSA-N 0 0 390.256 3.351 20 30 GGEDRN N#Cc1ccncc1N1CCN(Cc2cc(Br)cc(F)c2F)CC1 ZINC000593029453 567379724 /nfs/dbraw/zinc/37/97/24/567379724.db2.gz HISRQAGOAABXBG-UHFFFAOYSA-N 0 0 393.235 3.316 20 30 GGEDRN CN(C)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000549250290 567380755 /nfs/dbraw/zinc/38/07/55/567380755.db2.gz BISRVYVFVZQFGA-INIZCTEOSA-N 0 0 398.315 3.446 20 30 GGEDRN C=CCn1cccc1C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000456491209 567381535 /nfs/dbraw/zinc/38/15/35/567381535.db2.gz QVGRJMPHAWXRPN-ZDUSSCGKSA-N 0 0 395.272 3.157 20 30 GGEDRN C=CCn1cccc1C(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000456491200 567381631 /nfs/dbraw/zinc/38/16/31/567381631.db2.gz QVGRJMPHAWXRPN-CYBMUJFWSA-N 0 0 395.272 3.157 20 30 GGEDRN COCC1(C#N)CCN(C(=O)c2sc(C)c(Br)c2OC)CC1 ZINC000501335883 567381785 /nfs/dbraw/zinc/38/17/85/567381785.db2.gz WNYDMQSIXZIMQP-UHFFFAOYSA-N 0 0 387.299 3.220 20 30 GGEDRN C[C@@H]1Cc2ccc(Br)cc2CN1S(=O)(=O)c1ccccc1C#N ZINC000501338931 567382048 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C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N ZINC000549266286 567383032 /nfs/dbraw/zinc/38/30/32/567383032.db2.gz NTAAAXVMSWLVBL-LBPRGKRZSA-N 0 0 377.290 3.218 20 30 GGEDRN Cc1ccc(C[C@H](CO)CNC(=O)C2(C#N)CCCC2)cc1Br ZINC000456499133 567383641 /nfs/dbraw/zinc/38/36/41/567383641.db2.gz QZMOVYGYKUQFKA-HNNXBMFYSA-N 0 0 379.298 3.109 20 30 GGEDRN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C(C)C)C1 ZINC000549297479 567384320 /nfs/dbraw/zinc/38/43/20/567384320.db2.gz MTHNBMLXPITDSC-HNNXBMFYSA-N 0 0 394.317 3.473 20 30 GGEDRN N#CCC1CCN(S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000569179811 567384760 /nfs/dbraw/zinc/38/47/60/567384760.db2.gz SNLDXFGSEGEXJO-UHFFFAOYSA-N 0 0 377.691 3.417 20 30 GGEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CCC[C@H]1OC(F)F ZINC000501388768 567385538 /nfs/dbraw/zinc/38/55/38/567385538.db2.gz SCSLHCKIYYCGGR-GHMZBOCLSA-N 0 0 384.326 3.016 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000456503966 567386150 /nfs/dbraw/zinc/38/61/50/567386150.db2.gz UMILLLAWPCWXDC-LZLYRXPVSA-N 0 0 396.325 3.006 20 30 GGEDRN COC(=O)[C@H](NCc1ccc(C#N)cc1Br)[C@H]1CCC[C@@H](OC)C1 ZINC000593106539 567386438 /nfs/dbraw/zinc/38/64/38/567386438.db2.gz LKCORGKNWMXVJB-YSVLISHTSA-N 0 0 395.297 3.157 20 30 GGEDRN N#C[C@H](NC(=O)[C@@H]1CCO[C@H]1c1ccncc1)c1cccc(Br)c1 ZINC000593112392 567386486 /nfs/dbraw/zinc/38/64/86/567386486.db2.gz HIWIQGBNPTUNPN-IKGGRYGDSA-N 0 0 386.249 3.303 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)CN1Cc2cc(Br)ccc2C[C@@H]1C ZINC000501411748 567386420 /nfs/dbraw/zinc/38/64/20/567386420.db2.gz RHDSENNEABXNBG-KGLIPLIRSA-N 0 0 378.314 3.204 20 30 GGEDRN COC(=O)[C@H](NCc1ccc(C#N)cc1Br)[C@@H]1CCC[C@@H](OC)C1 ZINC000593106536 567386964 /nfs/dbraw/zinc/38/69/64/567386964.db2.gz LKCORGKNWMXVJB-FRFSOERESA-N 0 0 395.297 3.157 20 30 GGEDRN N#C[C@H](NC(=O)C1(n2cnnn2)CCCCC1)c1cccc(Cl)c1Cl ZINC000593110872 567387011 /nfs/dbraw/zinc/38/70/11/567387011.db2.gz CXDUZAFINSSWRF-ZDUSSCGKSA-N 0 0 379.251 3.020 20 30 GGEDRN Cc1cc(=NC(=O)c2ccc(Br)c(OC(C)C)c2)[nH]n1CCC#N 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C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000618459855 567390899 /nfs/dbraw/zinc/39/08/99/567390899.db2.gz YXAJOSJOLHKVLK-AWEZNQCLSA-N 0 0 378.519 3.322 20 30 GGEDRN N#Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2OC(F)F)ccc1C(F)(F)F ZINC000501475522 567391901 /nfs/dbraw/zinc/39/19/01/567391901.db2.gz FVJULCVDPTYYTL-VXGBXAGGSA-N 0 0 384.326 3.016 20 30 GGEDRN N[C@](C(=O)N[C@H]1C[C@@H]1C(F)F)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000569282582 567392069 /nfs/dbraw/zinc/39/20/69/567392069.db2.gz DNSLFKOTCWUUEB-AUTRQRHGSA-N 0 0 376.247 3.192 20 30 GGEDRN CN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CCC(C)(C)C1 ZINC000501494848 567392465 /nfs/dbraw/zinc/39/24/65/567392465.db2.gz BFQZYECNUVBAOO-ZDUSSCGKSA-N 0 0 378.270 3.296 20 30 GGEDRN N#Cc1ccc(NC(=O)c2cc(I)ccc2F)cc1C#N ZINC000477429665 567393636 /nfs/dbraw/zinc/39/36/36/567393636.db2.gz KTAXZYRNYMLKBI-UHFFFAOYSA-N 0 0 391.143 3.426 20 30 GGEDRN O=C(c1ccnn1CC(F)F)N1CCC[C@H](C(F)(F)F)[C@@H]1C(F)(F)F ZINC000456578103 567393625 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C=CCC[C@@H](NC(=O)c1c(F)cc(Br)cc1F)C(=O)OCC ZINC000456627900 567396526 /nfs/dbraw/zinc/39/65/26/567396526.db2.gz NKYMGTPRQXPOCM-GFCCVEGCSA-N 0 0 376.197 3.355 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc(OC(F)F)c(F)c1 ZINC000549532023 567396727 /nfs/dbraw/zinc/39/67/27/567396727.db2.gz YUIRBXDHLWULDX-UHFFFAOYSA-N 0 0 390.770 3.431 20 30 GGEDRN C=CCC[C@H](NC(=O)c1sc(C)c(Br)c1OC)C(=O)OCC ZINC000456627478 567397109 /nfs/dbraw/zinc/39/71/09/567397109.db2.gz MUQLDMYJGMENAZ-JTQLQIEISA-N 0 0 390.299 3.455 20 30 GGEDRN N#CCC1(CNC(=O)CCC(=O)c2ccc(I)cc2)CC1 ZINC000435959018 567397243 /nfs/dbraw/zinc/39/72/43/567397243.db2.gz PPEDOYRKGVONTF-UHFFFAOYSA-N 0 0 396.228 3.064 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC3CCC2CC3)cc1Br ZINC000569338455 567397894 /nfs/dbraw/zinc/39/78/94/567397894.db2.gz YNAIVTQGSQINBM-YIZWMMSDSA-N 0 0 390.281 3.202 20 30 GGEDRN N#C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cc1 ZINC000477500540 567399204 /nfs/dbraw/zinc/39/92/04/567399204.db2.gz 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567580208 /nfs/dbraw/zinc/58/02/08/567580208.db2.gz APAMKQNOHLAEKX-UHFFFAOYSA-N 0 0 388.221 3.215 20 30 GGEDRN CCCC(=O)N1CSC[C@H]1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000505507051 567580176 /nfs/dbraw/zinc/58/01/76/567580176.db2.gz PTBOESRKKUZUAH-OLZOCXBDSA-N 0 0 386.304 3.376 20 30 GGEDRN CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000505507052 567580262 /nfs/dbraw/zinc/58/02/62/567580262.db2.gz PTBOESRKKUZUAH-QWHCGFSZSA-N 0 0 386.304 3.376 20 30 GGEDRN COc1cc(Br)cc(NC(=O)C(=O)Nc2cccc(C)c2C#N)c1 ZINC000439307024 567580496 /nfs/dbraw/zinc/58/04/96/567580496.db2.gz NWMQJKYUDGXNPZ-UHFFFAOYSA-N 0 0 388.221 3.215 20 30 GGEDRN C=CC[C@H](CO)CNC(=O)Nc1sc(C(F)(F)F)cc1C(=O)OCC ZINC000571678572 567580949 /nfs/dbraw/zinc/58/09/49/567580949.db2.gz VNGMAJPVDLDFAQ-VIFPVBQESA-N 0 0 380.388 3.250 20 30 GGEDRN N#C[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1c(Cl)cccc1Cl ZINC000505539558 567581401 /nfs/dbraw/zinc/58/14/01/567581401.db2.gz HVWILVCHLMVHSP-NHYWBVRUSA-N 0 0 380.275 3.465 20 30 GGEDRN CO[C@H](C)c1noc(CCC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)n1 ZINC000505538699 567581866 /nfs/dbraw/zinc/58/18/66/567581866.db2.gz CKHHLGWZDGBLKT-SKDRFNHKSA-N 0 0 383.235 3.397 20 30 GGEDRN N#C[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1c(Cl)cccc1Cl ZINC000505539556 567581975 /nfs/dbraw/zinc/58/19/75/567581975.db2.gz HVWILVCHLMVHSP-ABAIWWIYSA-N 0 0 380.275 3.465 20 30 GGEDRN N#C[C@H](NC(=O)c1cccc2c1OCC(=O)N2)c1c(Cl)cccc1Cl ZINC000505528064 567582125 /nfs/dbraw/zinc/58/21/25/567582125.db2.gz YJSQGAVTXUIYGZ-ZDUSSCGKSA-N 0 0 376.199 3.319 20 30 GGEDRN N#Cc1cn(CC(=O)COc2ccccc2)c2ccc(Br)cc2c1=O ZINC000505541610 567583917 /nfs/dbraw/zinc/58/39/17/567583917.db2.gz ZXHHFZALXZBPHZ-UHFFFAOYSA-N 0 0 397.228 3.284 20 30 GGEDRN N#Cc1ccsc1N1CC[C@H](N[C@H](CO)c2cccc(Cl)c2Cl)C1=O ZINC000595829352 567585024 /nfs/dbraw/zinc/58/50/24/567585024.db2.gz PYMHXXACKJUITR-UONOGXRCSA-N 0 0 396.299 3.355 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(Cl)c(Br)c2)C1=O ZINC000439424002 567585075 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COC(=O)c1cc(NC(=O)c2ccc(C#N)c(C)n2)c(C)cc1Br ZINC000552410973 567588635 /nfs/dbraw/zinc/58/86/35/567588635.db2.gz GLEOQCHNXYYQHX-UHFFFAOYSA-N 0 0 388.221 3.372 20 30 GGEDRN CCOC(=O)[C@@]1(COC)CCCN(Cc2cc(C#N)ccc2Br)C1 ZINC000439466537 567588591 /nfs/dbraw/zinc/58/85/91/567588591.db2.gz HPGVUTXVWFYSDC-SFHVURJKSA-N 0 0 395.297 3.112 20 30 GGEDRN Cc1nnc(CN(C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)s1 ZINC000595884388 567588809 /nfs/dbraw/zinc/58/88/09/567588809.db2.gz FFEKYCZPFATQFA-LBPRGKRZSA-N 0 0 375.523 3.311 20 30 GGEDRN Cc1nnc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)s1 ZINC000595884032 567588951 /nfs/dbraw/zinc/58/89/51/567588951.db2.gz APHLOHMZGRPWII-UHFFFAOYSA-N 0 0 375.523 3.119 20 30 GGEDRN C=CC[C@H](CC)NC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000439505217 567590053 /nfs/dbraw/zinc/59/00/53/567590053.db2.gz XQRIDGBYSPRCME-NSHDSACASA-N 0 0 379.404 3.003 20 30 GGEDRN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000571810428 567590740 /nfs/dbraw/zinc/59/07/40/567590740.db2.gz 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Cc1ccc2c(ncc(C#N)c2NCCN2CCO[C@@H](C)C2)c1Br ZINC000530369900 567596430 /nfs/dbraw/zinc/59/64/30/567596430.db2.gz UXUCFAIDWYBCND-ZDUSSCGKSA-N 0 0 389.297 3.310 20 30 GGEDRN COC[C@@H]1CN(c2c(C#N)cnc3c(Br)c(C)ccc32)C[C@H](C)O1 ZINC000480338601 567596893 /nfs/dbraw/zinc/59/68/93/567596893.db2.gz VHQGRXBZKBJBBN-JSGCOSHPSA-N 0 0 390.281 3.418 20 30 GGEDRN COC[C@H]1CN(c2c(C#N)cnc3c(Br)c(C)ccc32)C[C@@H](C)O1 ZINC000480338603 567597036 /nfs/dbraw/zinc/59/70/36/567597036.db2.gz VHQGRXBZKBJBBN-TZMCWYRMSA-N 0 0 390.281 3.418 20 30 GGEDRN C[C@H](CCc1ccc(I)cc1)Nc1cc(C#N)ncn1 ZINC000530378441 567597108 /nfs/dbraw/zinc/59/71/08/567597108.db2.gz LXNIHVZKDROBRQ-LLVKDONJSA-N 0 0 378.217 3.386 20 30 GGEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cnn(-c2cccc(Br)c2)c1C ZINC000571876170 567597107 /nfs/dbraw/zinc/59/71/07/567597107.db2.gz IDAWDMMXNOBJSL-SJORKVTESA-N 0 0 390.281 3.407 20 30 GGEDRN C=C(C)CN(C)C(=O)C(=O)NC[C@@H](CC)Cc1cccc(Br)c1 ZINC000505793240 567597320 /nfs/dbraw/zinc/59/73/20/567597320.db2.gz 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CO[C@@H](c1ccccc1Cl)[C@@H](C)NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000572915462 567675300 /nfs/dbraw/zinc/67/53/00/567675300.db2.gz VWBSTVLQAGGSNP-FZKQIMNGSA-N 0 0 378.881 3.407 20 30 GGEDRN CC(C)Cc1nnc(NC(=O)CN(C)Cc2ccc(Cl)cc2C#N)s1 ZINC000572923686 567675674 /nfs/dbraw/zinc/67/56/74/567675674.db2.gz JQXDVABIKXAGNX-UHFFFAOYSA-N 0 0 377.901 3.332 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000553698435 567676166 /nfs/dbraw/zinc/67/61/66/567676166.db2.gz USOJFHZVDVBJDP-NSHDSACASA-N 0 0 383.261 3.338 20 30 GGEDRN CC#CCCNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000507365062 567676837 /nfs/dbraw/zinc/67/68/37/567676837.db2.gz YAQWHFMHWUTHDT-UHFFFAOYSA-N 0 0 376.625 3.157 20 30 GGEDRN Cc1nc(NC(=O)[C@@H](Oc2ccccc2)C(C)(C)O)sc1SCC#N ZINC000597047814 567676932 /nfs/dbraw/zinc/67/69/32/567676932.db2.gz UJMHQSOZWWJVMS-CYBMUJFWSA-N 0 0 377.491 3.224 20 30 GGEDRN CC1(C)CN(C(=O)CCOCC(F)(F)C(F)(F)F)C[C@H](C(F)(F)F)O1 ZINC000553712369 567677515 /nfs/dbraw/zinc/67/75/15/567677515.db2.gz 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N#Cc1cc(Br)ccc1Cn1cnc2cc(F)c(F)cc2c1=O ZINC000553770684 567682075 /nfs/dbraw/zinc/68/20/75/567682075.db2.gz VBJXJNOZTJBRFT-UHFFFAOYSA-N 0 0 376.160 3.357 20 30 GGEDRN CC(C)C1(C(C)C)NC(=O)N(Cc2ccc(C#N)cc2Br)C1=O ZINC000442107328 567682159 /nfs/dbraw/zinc/68/21/59/567682159.db2.gz IGPSVEZBXBMQQQ-UHFFFAOYSA-N 0 0 378.270 3.423 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000481492396 567682464 /nfs/dbraw/zinc/68/24/64/567682464.db2.gz KLZFGEXPNOXLFT-AWEZNQCLSA-N 0 0 385.272 3.185 20 30 GGEDRN COc1cc(C)c(Br)cc1C(=O)Nc1nc2n(c1C#N)CCS2 ZINC000573040190 567683072 /nfs/dbraw/zinc/68/30/72/567683072.db2.gz VHJBYTXKMCMQAO-UHFFFAOYSA-N 0 0 393.266 3.192 20 30 GGEDRN CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@H](C)CC#N ZINC000460301392 567683126 /nfs/dbraw/zinc/68/31/26/567683126.db2.gz BJWGBFOGKFKIBN-LLVKDONJSA-N 0 0 378.274 3.474 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000481506229 567683249 /nfs/dbraw/zinc/68/32/49/567683249.db2.gz 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N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CC3CCC2CC3)ccc1Br ZINC000574201006 567762904 /nfs/dbraw/zinc/76/29/04/567762904.db2.gz XWVAZIPCYTURSO-YIZWMMSDSA-N 0 0 390.281 3.202 20 30 GGEDRN CC[C@@](C)(COc1ncccc1Cl)NS(=O)(=O)c1ccccc1C#N ZINC000443507361 567763858 /nfs/dbraw/zinc/76/38/58/567763858.db2.gz IDZCGWJPBZLXPE-KRWDZBQOSA-N 0 0 379.869 3.133 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 ZINC000574211158 567764127 /nfs/dbraw/zinc/76/41/27/567764127.db2.gz LBTGFPWEOJIOSQ-JTQLQIEISA-N 0 0 376.507 3.435 20 30 GGEDRN C=CCNS(=O)(=O)c1cc(-c2nc(-c3sccc3C)no2)ccc1F ZINC000555021459 567764169 /nfs/dbraw/zinc/76/41/69/567764169.db2.gz WCYXUXCSDPAVQR-UHFFFAOYSA-N 0 0 379.438 3.377 20 30 GGEDRN COc1cc(Br)cc(S(=O)(=O)N2CCc3ccc(C#N)cc32)c1 ZINC000555036896 567764270 /nfs/dbraw/zinc/76/42/70/567764270.db2.gz VVJAKMIZRSMCDQ-UHFFFAOYSA-N 0 0 393.262 3.081 20 30 GGEDRN N#Cc1nc(NCc2cn3cc(Br)ccc3n2)ccc1C(F)(F)F ZINC000443520420 567764958 /nfs/dbraw/zinc/76/49/58/567764958.db2.gz RUTYJZSZTUCCPI-UHFFFAOYSA-N 0 0 396.170 3.416 20 30 GGEDRN N#CC1(CNC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1 ZINC000574234535 567765494 /nfs/dbraw/zinc/76/54/94/567765494.db2.gz QZCVRCRXRDJTTN-UHFFFAOYSA-N 0 0 388.221 3.328 20 30 GGEDRN C=CCn1c([C@H]2CCOC2)nnc1N(C)Cc1csc(Br)c1 ZINC000508803075 567766638 /nfs/dbraw/zinc/76/66/38/567766638.db2.gz VMBRRCXLYROBMU-LBPRGKRZSA-N 0 0 383.315 3.428 20 30 GGEDRN CC(=O)NCCN(Cc1cc(C#N)ccc1Br)C1CCSCC1 ZINC000555071074 567766788 /nfs/dbraw/zinc/76/67/88/567766788.db2.gz LNSXSBWWDJNJSD-UHFFFAOYSA-N 0 0 396.354 3.154 20 30 GGEDRN N#CC1(CS(=O)(=O)N2CCC(c3cccc(Br)c3)CC2)CC1 ZINC000462077277 567767276 /nfs/dbraw/zinc/76/72/76/567767276.db2.gz ZAFVVFKYUDJQPY-UHFFFAOYSA-N 0 0 383.311 3.262 20 30 GGEDRN C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](COC)C1 ZINC000508812269 567767710 /nfs/dbraw/zinc/76/77/10/567767710.db2.gz KIODGUXLOWUQSW-ZDUSSCGKSA-N 0 0 394.317 3.095 20 30 GGEDRN C=CCCOCCCCC(=O)N[C@H]1CN(c2ccc(Br)cc2)C1=O ZINC000574264440 567768391 /nfs/dbraw/zinc/76/83/91/567768391.db2.gz RUQAYHBAVFUVFB-INIZCTEOSA-N 0 0 395.297 3.044 20 30 GGEDRN C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@H](C)C#N ZINC000508829311 567768951 /nfs/dbraw/zinc/76/89/51/567768951.db2.gz YRVLPVKUGJFWQW-GFCCVEGCSA-N 0 0 390.285 3.498 20 30 GGEDRN C=C[C@H](CO)NC(=O)CCCCCc1ccc(I)cc1 ZINC000598458252 567770198 /nfs/dbraw/zinc/77/01/98/567770198.db2.gz XIZOSAZLXTXEFN-OAHLLOKOSA-N 0 0 387.261 3.057 20 30 GGEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[C@H]1CCCO1 ZINC000508850944 567770017 /nfs/dbraw/zinc/77/00/17/567770017.db2.gz XHDJXQOUWIUYKG-CYBMUJFWSA-N 0 0 380.290 3.227 20 30 GGEDRN C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC000508854072 567770107 /nfs/dbraw/zinc/77/01/07/567770107.db2.gz BCCKMKSXVGAGOE-GASCZTMLSA-N 0 0 383.279 3.288 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CC(=O)N[C@H](C)C1 ZINC000508881782 567771174 /nfs/dbraw/zinc/77/11/74/567771174.db2.gz OFTRYVNGLOVURJ-VXGBXAGGSA-N 0 0 383.261 3.018 20 30 GGEDRN C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N(C)CCCC(=O)NC ZINC000508877126 567771571 /nfs/dbraw/zinc/77/15/71/567771571.db2.gz ZYEJHLZNTMDGBG-UHFFFAOYSA-N 0 0 382.295 3.400 20 30 GGEDRN N#Cc1cccc(CNC(=O)CN2CCCc3cc(Br)ccc32)c1 ZINC000533489448 567771850 /nfs/dbraw/zinc/77/18/50/567771850.db2.gz YAMIFKSLSAAXFR-UHFFFAOYSA-N 0 0 384.277 3.390 20 30 GGEDRN C=CCn1c(-c2cccc(Br)c2)nnc1N(C)CCn1cccn1 ZINC000508875659 567771914 /nfs/dbraw/zinc/77/19/14/567771914.db2.gz VGXSAZKLUXMFDP-UHFFFAOYSA-N 0 0 387.285 3.227 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccn(COC)n1 ZINC000667738849 567772151 /nfs/dbraw/zinc/77/21/51/567772151.db2.gz ACCOFOQEXDUYEY-UHFFFAOYSA-N 0 0 382.233 3.217 20 30 GGEDRN N#Cc1ccc(Br)c(CSCc2nnn(CC(F)(F)F)n2)c1 ZINC000555136179 567772175 /nfs/dbraw/zinc/77/21/75/567772175.db2.gz DGAGOEXFGDMSGT-UHFFFAOYSA-N 0 0 392.204 3.303 20 30 GGEDRN CS(=O)(=O)N(CC(F)(F)F)C1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000555144344 567772280 /nfs/dbraw/zinc/77/22/80/567772280.db2.gz JPTINZCLFBXKIT-UHFFFAOYSA-N 0 0 395.834 3.004 20 30 GGEDRN COc1ccc(Sc2nsc(NC(=O)N3CCC(C#N)CC3)n2)cc1 ZINC000574321582 567772397 /nfs/dbraw/zinc/77/23/97/567772397.db2.gz FYCWYVCKXFVKLK-UHFFFAOYSA-N 0 0 375.479 3.465 20 30 GGEDRN CC1(C)C[C@]1(C#N)NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000574330289 567772491 /nfs/dbraw/zinc/77/24/91/567772491.db2.gz QPKIPINNGUOHRM-GFCCVEGCSA-N 0 0 397.216 3.438 20 30 GGEDRN Cc1cccc(S(=O)(=O)N2CC[C@H](Oc3ccccc3Cl)C2)c1C#N ZINC000443726710 567772559 /nfs/dbraw/zinc/77/25/59/567772559.db2.gz ABMXULRDJDFBOA-AWEZNQCLSA-N 0 0 376.865 3.362 20 30 GGEDRN COC(=O)[C@H](NCc1ccc(F)cc1C#N)c1ccc(Br)cc1 ZINC000533513460 567772953 /nfs/dbraw/zinc/77/29/53/567772953.db2.gz HEESJMBVLXRCIQ-MRXNPFEDSA-N 0 0 377.213 3.464 20 30 GGEDRN CCC[C@H](C#N)NS(=O)(=O)c1ccc(Br)cc1Br ZINC000533549221 567774177 /nfs/dbraw/zinc/77/41/77/567774177.db2.gz KEKBEAKFIVGGPT-SECBINFHSA-N 0 0 396.104 3.182 20 30 GGEDRN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC2(CCC2)C1 ZINC000574382224 567775463 /nfs/dbraw/zinc/77/54/63/567775463.db2.gz JYQTXYJDNBKXGY-UHFFFAOYSA-N 0 0 392.301 3.371 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)NCc2ccsc2Br)c1 ZINC000555258973 567776070 /nfs/dbraw/zinc/77/60/70/567776070.db2.gz VSHOZPMNFWGHJV-UHFFFAOYSA-N 0 0 398.669 3.291 20 30 GGEDRN COc1cc(C)cc(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000443772672 567776290 /nfs/dbraw/zinc/77/62/90/567776290.db2.gz OGOAJNSEZKYKDH-UHFFFAOYSA-N 0 0 395.278 3.116 20 30 GGEDRN Cc1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n(CCC#N)n1 ZINC000533577006 567776802 /nfs/dbraw/zinc/77/68/02/567776802.db2.gz WJSRMGXNRXTFMR-UHFFFAOYSA-N 0 0 392.213 3.337 20 30 GGEDRN CC(C)(C#N)C[C@H](O)CN1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000598585487 567777612 /nfs/dbraw/zinc/77/76/12/567777612.db2.gz DXXWMQYGJCJQSH-ZDUSSCGKSA-N 0 0 384.307 3.052 20 30 GGEDRN Cc1cccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000443923395 567780220 /nfs/dbraw/zinc/78/02/20/567780220.db2.gz CJFNMXPDEXVHGW-UHFFFAOYSA-N 0 0 375.881 3.031 20 30 GGEDRN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000598613422 567780260 /nfs/dbraw/zinc/78/02/60/567780260.db2.gz XGXVOGNKYVMNAA-SMDDNHRTSA-N 0 0 393.285 3.450 20 30 GGEDRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C[C@H](O)CC(C)(C)C#N ZINC000598614218 567780313 /nfs/dbraw/zinc/78/03/13/567780313.db2.gz BKLBPYXYQFDIIP-MRXNPFEDSA-N 0 0 386.323 3.232 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 ZINC000443931556 567780345 /nfs/dbraw/zinc/78/03/45/567780345.db2.gz YTAGPFBTGBGPAN-UHFFFAOYSA-N 0 0 375.881 3.031 20 30 GGEDRN C=C[C@@](C)(O)CC(=O)N1CCN([C@H](CC)c2ccc(Br)cc2)CC1 ZINC000574490868 567781047 /nfs/dbraw/zinc/78/10/47/567781047.db2.gz QANRDIAXGDILJO-IEBWSBKVSA-N 0 0 395.341 3.372 20 30 GGEDRN N#C[C@@H](NS(=O)(=O)c1ccc(Br)c(F)c1)C1CCCCC1 ZINC000533689826 567781689 /nfs/dbraw/zinc/78/16/89/567781689.db2.gz RBUWBYASYZONEI-CQSZACIVSA-N 0 0 375.263 3.339 20 30 GGEDRN N#Cc1cc(F)ccc1CN1c2ccc(Br)cc2CS1(=O)=O ZINC000555407173 567781744 /nfs/dbraw/zinc/78/17/44/567781744.db2.gz UUBSQSWZLYKILK-UHFFFAOYSA-N 0 0 381.226 3.310 20 30 GGEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](OC(C)C)C1 ZINC000647368579 567781838 /nfs/dbraw/zinc/78/18/38/567781838.db2.gz UMTSWJMZKPQQFH-CYBMUJFWSA-N 0 0 380.290 3.225 20 30 GGEDRN C=C(C)[C@@H](CC(=O)NCCCNC(=O)c1ccc(Br)cc1)OCC ZINC000533678702 567781859 /nfs/dbraw/zinc/78/18/59/567781859.db2.gz UHAFAODENCWLJW-MRXNPFEDSA-N 0 0 397.313 3.057 20 30 GGEDRN C=C(C)[C@@H](CC(=O)NCCCNC(=O)c1cccc(Br)c1)OCC ZINC000533679836 567782098 /nfs/dbraw/zinc/78/20/98/567782098.db2.gz ZXVCHBXLNZBLFB-MRXNPFEDSA-N 0 0 397.313 3.057 20 30 GGEDRN C=C(C)[C@H](CC(=O)NCCCNC(=O)c1ccc(Br)cc1)OCC ZINC000533678701 567782407 /nfs/dbraw/zinc/78/24/07/567782407.db2.gz UHAFAODENCWLJW-INIZCTEOSA-N 0 0 397.313 3.057 20 30 GGEDRN COc1ccc(Br)c(CNS(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000443957074 567782623 /nfs/dbraw/zinc/78/26/23/567782623.db2.gz CLKJDZUCWWBSHG-UHFFFAOYSA-N 0 0 395.278 3.116 20 30 GGEDRN Cn1c(COc2ccccc2Cl)nnc1SC[C@@H](O)CC(C)(C)C#N ZINC000598704895 567782970 /nfs/dbraw/zinc/78/29/70/567782970.db2.gz WDOAUOGAHKTQCL-LBPRGKRZSA-N 0 0 380.901 3.440 20 30 GGEDRN Cn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H](O)CC(C)(C)C#N ZINC000598703649 567782980 /nfs/dbraw/zinc/78/29/80/567782980.db2.gz IPFLBUJATKDQEL-ZDUSSCGKSA-N 0 0 380.901 3.440 20 30 GGEDRN C=CC[C@H]1N(S(=O)(=O)c2sc(C(=O)OC)cc2OC)CCCC1(C)C ZINC000443979595 567783259 /nfs/dbraw/zinc/78/32/59/567783259.db2.gz PFFGCAOZTSQKHK-CQSZACIVSA-N 0 0 387.523 3.299 20 30 GGEDRN CC(C)(C#N)C[C@H](O)CN1C(=O)C[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000598706026 567783581 /nfs/dbraw/zinc/78/35/81/567783581.db2.gz PFLHLMXMTWCEEX-KPZWWZAWSA-N 0 0 383.275 3.311 20 30 GGEDRN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(C)c1)c1ccsc1 ZINC000443969188 567783673 /nfs/dbraw/zinc/78/36/73/567783673.db2.gz RUESCTKWBGAAFG-SFHVURJKSA-N 0 0 377.535 3.290 20 30 GGEDRN CCC[C@@]1(C(=O)OCC)CCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000443967954 567783779 /nfs/dbraw/zinc/78/37/79/567783779.db2.gz DVKCFHMEVFSJPF-KRWDZBQOSA-N 0 0 384.885 3.098 20 30 GGEDRN C=CC[C@H]1N(S(=O)(=O)c2ccc(CCNC(C)=O)s2)CCCC1(C)C ZINC000443985185 567784552 /nfs/dbraw/zinc/78/45/52/567784552.db2.gz YBFJROBPEAHJPQ-MRXNPFEDSA-N 0 0 384.567 3.182 20 30 GGEDRN CCC[C@]1(C(=O)OCC)CCCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000443983685 567784839 /nfs/dbraw/zinc/78/48/39/567784839.db2.gz VXDRWJGITWDNJM-QGZVFWFLSA-N 0 0 384.885 3.098 20 30 GGEDRN C=CCCCS(=O)(=O)N(C[C@@H]1CCCO1)c1ccc(Br)cn1 ZINC000574577009 567786044 /nfs/dbraw/zinc/78/60/44/567786044.db2.gz WCTOCTJJCACBGL-AWEZNQCLSA-N 0 0 389.315 3.126 20 30 GGEDRN C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCOC1 ZINC000555493055 567786301 /nfs/dbraw/zinc/78/63/01/567786301.db2.gz IZJCLIQLUQBOHP-LLVKDONJSA-N 0 0 383.315 3.428 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1CCS(=O)(=O)CC1 ZINC000533768437 567786494 /nfs/dbraw/zinc/78/64/94/567786494.db2.gz XRGBYBFEJYALQR-CYBMUJFWSA-N 0 0 381.523 3.027 20 30 GGEDRN CCS(=O)(=O)CCCCCOc1c(F)cc(C#N)cc1Br ZINC000598731204 567786789 /nfs/dbraw/zinc/78/67/89/567786789.db2.gz ZLRKMVYYESIUAB-UHFFFAOYSA-N 0 0 378.263 3.444 20 30 GGEDRN CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCCO1 ZINC000555513182 567786835 /nfs/dbraw/zinc/78/68/35/567786835.db2.gz WWQAXUVDXFXGKT-HNNXBMFYSA-N 0 0 376.400 3.013 20 30 GGEDRN CN(c1cc(F)ccc1F)S(=O)(=O)c1cccc(Br)c1C#N ZINC000555529264 567786892 /nfs/dbraw/zinc/78/68/92/567786892.db2.gz IHZBPEAICFXVDG-UHFFFAOYSA-N 0 0 387.205 3.424 20 30 GGEDRN N#Cc1c(Br)cccc1NCC(=O)N[C@H]1CCOc2ccccc21 ZINC000574614293 567788301 /nfs/dbraw/zinc/78/83/01/567788301.db2.gz JGXBYIBBPLSCBB-INIZCTEOSA-N 0 0 386.249 3.373 20 30 GGEDRN CC#CCN(C)C(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 ZINC000647541887 567790777 /nfs/dbraw/zinc/79/07/77/567790777.db2.gz HSHCNFOYBDGODP-UHFFFAOYSA-N 0 0 377.238 3.420 20 30 GGEDRN CSc1cccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n1 ZINC000574666323 567791783 /nfs/dbraw/zinc/79/17/83/567791783.db2.gz DHJFGFVOLLEMRY-UHFFFAOYSA-N 0 0 375.475 3.133 20 30 GGEDRN C=C[C@H](CC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccccc1 ZINC000533899726 567792069 /nfs/dbraw/zinc/79/20/69/567792069.db2.gz BHKPLCKJFMSHTA-FZKQIMNGSA-N 0 0 387.277 3.452 20 30 GGEDRN N#Cc1cccc(NC(=O)CSc2nnc3ccc(Br)cn32)c1 ZINC000574700054 567792329 /nfs/dbraw/zinc/79/23/29/567792329.db2.gz XUZOOEATLDZNJH-UHFFFAOYSA-N 0 0 388.250 3.094 20 30 GGEDRN CCCN(C(=O)c1ccc(CS(C)(=O)=O)o1)c1cc(Cl)ccc1C#N ZINC000598809763 567792474 /nfs/dbraw/zinc/79/24/74/567792474.db2.gz CLADVZNMNZPKII-UHFFFAOYSA-N 0 0 380.853 3.406 20 30 GGEDRN N#CCc1ccc(C(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000533922268 567794135 /nfs/dbraw/zinc/79/41/35/567794135.db2.gz KYCQYLBGOJTJTH-UHFFFAOYSA-N 0 0 386.249 3.274 20 30 GGEDRN CSC[C@@](C)(C#N)NC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000598842470 567794198 /nfs/dbraw/zinc/79/41/98/567794198.db2.gz XDPVZQHLXVGBSF-OAHLLOKOSA-N 0 0 380.267 3.479 20 30 GGEDRN COCC[C@@](C)(C#N)NC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000598841901 567794207 /nfs/dbraw/zinc/79/42/07/567794207.db2.gz TWCLEECIUNEJPD-INIZCTEOSA-N 0 0 378.226 3.153 20 30 GGEDRN CO[C@@](C)(C(=O)Nc1cccc(C#N)c1Br)C(=O)OC(C)(C)C ZINC000598841638 567794330 /nfs/dbraw/zinc/79/43/30/567794330.db2.gz JDHPKWHTRYAQON-INIZCTEOSA-N 0 0 383.242 3.006 20 30 GGEDRN N#CCN(C(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000598841783 567794373 /nfs/dbraw/zinc/79/43/73/567794373.db2.gz HNLGYTUKXRHGLW-ZIAGYGMSSA-N 0 0 376.762 3.181 20 30 GGEDRN Cc1nc(NC(=O)c2ccnc(NC(=O)C(C)C)c2)sc1SCC#N ZINC000555679743 567794478 /nfs/dbraw/zinc/79/44/78/567794478.db2.gz VFTLSVJQBJUEHD-UHFFFAOYSA-N 0 0 375.479 3.309 20 30 GGEDRN CCOC(=O)c1ccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)nc1 ZINC000555658947 567794551 /nfs/dbraw/zinc/79/45/51/567794551.db2.gz QUZCVQHWHJJGBW-HNNXBMFYSA-N 0 0 388.221 3.015 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn2c1OCCC2 ZINC000555658757 567794612 /nfs/dbraw/zinc/79/46/12/567794612.db2.gz DBVDOLTZNPLLKG-UHFFFAOYSA-N 0 0 394.244 3.396 20 30 GGEDRN Cc1c(Br)cccc1S(=O)(=O)N1CCc2ccc(C#N)cc21 ZINC000555704984 567795230 /nfs/dbraw/zinc/79/52/30/567795230.db2.gz GZKQPNDBMFNGKH-UHFFFAOYSA-N 0 0 377.263 3.381 20 30 GGEDRN C=CCN(C(=O)c1c(F)cccc1I)[C@@H](C)COC ZINC000598862195 567795332 /nfs/dbraw/zinc/79/53/32/567795332.db2.gz ANMQRXSOJNQREA-JTQLQIEISA-N 0 0 377.197 3.093 20 30 GGEDRN N#CC1(CNC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000555698773 567795475 /nfs/dbraw/zinc/79/54/75/567795475.db2.gz TVYZFHJYNHTQEK-UHFFFAOYSA-N 0 0 392.297 3.100 20 30 GGEDRN COc1ccc(Br)c(S(=O)(=O)N2CCc3ccc(C#N)cc32)c1 ZINC000555708008 567795708 /nfs/dbraw/zinc/79/57/08/567795708.db2.gz CFKMMBSXBZHXKS-UHFFFAOYSA-N 0 0 393.262 3.081 20 30 GGEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000574767406 567796734 /nfs/dbraw/zinc/79/67/34/567796734.db2.gz BBDGXYKUAWSHDR-OIISXLGYSA-N 0 0 394.313 3.061 20 30 GGEDRN N#C[C@H](NC(=O)[C@@H]1CCO[C@H]1c1ccncc1)c1ccccc1Br ZINC000598878593 567796866 /nfs/dbraw/zinc/79/68/66/567796866.db2.gz GOGXDKNYSIRJLJ-PVAVHDDUSA-N 0 0 386.249 3.303 20 30 GGEDRN N#CCc1ccc(C(=O)Nc2cc(Br)ccc2-n2cncn2)cc1 ZINC000534006756 567797107 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N#Cc1cccc([C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)C(=O)[O-])c1 ZINC000833074880 601298919 /nfs/dbraw/zinc/29/89/19/601298919.db2.gz FWWFEWKFHYKTND-HXUWFJFHSA-N 0 0 377.444 3.100 20 30 GGEDRN COc1cc(C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OCC(F)(F)F ZINC000832000305 601300956 /nfs/dbraw/zinc/30/09/56/601300956.db2.gz MKJXNGQUJNMNKA-KRWDZBQOSA-N 0 0 394.349 3.423 20 30 GGEDRN N#Cc1cccc([C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)C(=O)[O-])c1 ZINC000833074891 601302513 /nfs/dbraw/zinc/30/25/13/601302513.db2.gz GDGRYKUBRBZEHC-FQEVSTJZSA-N 0 0 386.411 3.121 20 30 GGEDRN N#Cc1cccc([C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)C(=O)[O-])c1 ZINC000833074873 601302630 /nfs/dbraw/zinc/30/26/30/601302630.db2.gz FTRSTJXJAUVGNS-FQEVSTJZSA-N 0 0 386.411 3.121 20 30 GGEDRN COc1ccc(C)cc1C1(C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)CCOCC1 ZINC000832257737 601303105 /nfs/dbraw/zinc/30/31/05/601303105.db2.gz BFRXVQVRXCCTHY-NRFANRHFSA-N 0 0 394.471 3.339 20 30 GGEDRN COc1ccc(C2(C[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)CCOCC2)cc1 ZINC000832265751 601303143 /nfs/dbraw/zinc/30/31/43/601303143.db2.gz QZPHYVQGIXZJAY-HXUWFJFHSA-N 0 0 380.444 3.031 20 30 GGEDRN COc1ccc(C)cc1C1(C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)CCOCC1 ZINC000832257738 601303323 /nfs/dbraw/zinc/30/33/23/601303323.db2.gz BFRXVQVRXCCTHY-OAQYLSRUSA-N 0 0 394.471 3.339 20 30 GGEDRN N#Cc1cccc([C@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)C(=O)[O-])c1 ZINC000833076131 601303562 /nfs/dbraw/zinc/30/35/62/601303562.db2.gz QOATZYRFMWGCEN-FQEVSTJZSA-N 0 0 386.411 3.121 20 30 GGEDRN N#Cc1cccc([C@@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)C(=O)[O-])c1 ZINC000833075972 601304595 /nfs/dbraw/zinc/30/45/95/601304595.db2.gz PDMIMWOUPXUBGU-HXUWFJFHSA-N 0 0 386.411 3.121 20 30 GGEDRN N#Cc1cccc([C@@H]([NH2+]CCc2ccc(Br)cc2F)C(=O)[O-])c1 ZINC000833076130 601304719 /nfs/dbraw/zinc/30/47/19/601304719.db2.gz QNRNOJMPBWTNLD-MRXNPFEDSA-N 0 0 377.213 3.418 20 30 GGEDRN CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC ZINC000828586331 601304964 /nfs/dbraw/zinc/30/49/64/601304964.db2.gz DJNIXTUZDBZMSF-XLIONFOSSA-N 0 0 379.416 3.163 20 30 GGEDRN N#Cc1cccc([C@@H](C(=O)[O-])[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000833073630 601311768 /nfs/dbraw/zinc/31/17/68/601311768.db2.gz FTQLJGCSGIMKOV-SFHVURJKSA-N 0 0 398.850 3.083 20 30 GGEDRN CN(C[C@@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1)C(=O)OC(C)(C)C ZINC000830718363 601313425 /nfs/dbraw/zinc/31/34/25/601313425.db2.gz QLNZDKXWTKPTNK-FUHWJXTLSA-N 0 0 387.480 3.263 20 30 GGEDRN N#Cc1cccc([C@H](C(=O)[O-])[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000833073816 601314795 /nfs/dbraw/zinc/31/47/95/601314795.db2.gz ILNNKFNIFKWOEU-LJQANCHMSA-N 0 0 381.407 3.174 20 30 GGEDRN C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000827687010 601316131 /nfs/dbraw/zinc/31/61/31/601316131.db2.gz HYRIOCQRCIDIKU-RDTXWAMCSA-N 0 0 387.480 3.309 20 30 GGEDRN N#Cc1cccc([C@@H](C(=O)[O-])[NH+]2CCC(CN3CCc4ccccc43)CC2)c1 ZINC000833073953 601318104 /nfs/dbraw/zinc/31/81/04/601318104.db2.gz KYBUYLYMNRLTGP-QFIPXVFZSA-N 0 0 375.472 3.459 20 30 GGEDRN Cc1ccc(CNC(=O)C2CC[NH+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000832932307 601354434 /nfs/dbraw/zinc/35/44/34/601354434.db2.gz GCVNRAFXNQVEFI-OAQYLSRUSA-N 0 0 391.471 3.021 20 30 GGEDRN Cc1sc(NC(=O)C[N@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])c(C#N)c1C ZINC000833034473 601390065 /nfs/dbraw/zinc/39/00/65/601390065.db2.gz VGZWFWCAMHSFKV-ZDUSSCGKSA-N 0 0 385.489 3.398 20 30 GGEDRN CCC1CCC([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)(C(=O)[O-])CC1 ZINC000829108376 601494833 /nfs/dbraw/zinc/49/48/33/601494833.db2.gz ZSQLKDLMEBETKC-DRCDNIGYSA-N 0 0 392.459 3.237 20 30 GGEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c1C#N ZINC000832849973 601513739 /nfs/dbraw/zinc/51/37/39/601513739.db2.gz VFRUVHFSYYKARX-UGSOOPFHSA-N 0 0 386.496 3.073 20 30 GGEDRN N#Cc1ccccc1COc1cccc(C[NH2+]C2(CC(=O)[O-])CCOCC2)c1 ZINC000833075565 601561404 /nfs/dbraw/zinc/56/14/04/601561404.db2.gz SVXUNZNGBNFWBA-UHFFFAOYSA-N 0 0 380.444 3.251 20 30 GGEDRN COc1cc(NC2CC[NH+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc(OC)c1 ZINC000832026736 601597845 /nfs/dbraw/zinc/59/78/45/601597845.db2.gz RLUVZBHWTGQXOS-OAQYLSRUSA-N 0 0 395.459 3.278 20 30 GGEDRN COc1cc(NC2CC[NH+]([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc(OC)c1 ZINC000832026735 601597875 /nfs/dbraw/zinc/59/78/75/601597875.db2.gz RLUVZBHWTGQXOS-NRFANRHFSA-N 0 0 395.459 3.278 20 30 GGEDRN CCOc1cccc(C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)c1OC(F)F ZINC000830104878 601642994 /nfs/dbraw/zinc/64/29/94/601642994.db2.gz XROJCPAWBWOBJS-INIZCTEOSA-N 0 0 376.359 3.474 20 30 GGEDRN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000825977619 601840375 /nfs/dbraw/zinc/84/03/75/601840375.db2.gz KPYDOQQNPZGWSB-HNNXBMFYSA-N 0 0 375.444 3.038 20 30 GGEDRN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000825977620 601840548 /nfs/dbraw/zinc/84/05/48/601840548.db2.gz KPYDOQQNPZGWSB-OAHLLOKOSA-N 0 0 375.444 3.038 20 30 GGEDRN Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC[C@@H]2CCCO2)c1 ZINC000832933436 601850752 /nfs/dbraw/zinc/85/07/52/601850752.db2.gz BTNLFWONHTZVCX-FPOVZHCZSA-N 0 0 380.444 3.340 20 30 GGEDRN COc1sc(C=NNc2cccc(-c3nn[nH]n3)c2)cc1Br ZINC000826222011 607530768 /nfs/dbraw/zinc/53/07/68/607530768.db2.gz DTFUHBOCTYPADM-UHFFFAOYSA-N 0 0 379.243 3.145 20 30 GGEDRN C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727045 601904409 /nfs/dbraw/zinc/90/44/09/601904409.db2.gz HIWSCDPFUGAANV-SFHVURJKSA-N 0 0 391.349 3.062 20 30 GGEDRN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000826027163 601923394 /nfs/dbraw/zinc/92/33/94/601923394.db2.gz UNUGNALYRHGANU-CWTRNNRKSA-N 0 0 375.494 3.012 20 30 GGEDRN C=CCn1c(SCc2ccnc(-c3nn[nH]n3)c2)nnc1-c1ccc(F)cc1 ZINC000823937457 607537024 /nfs/dbraw/zinc/53/70/24/607537024.db2.gz YPKMUNUWKCJJCT-UHFFFAOYSA-N 0 0 394.439 3.138 20 30 GGEDRN Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccnc(-c3nn[nH]n3)c2)n1 ZINC000826262279 607542647 /nfs/dbraw/zinc/54/26/47/607542647.db2.gz KKJKGIISBUCDQF-UHFFFAOYSA-N 0 0 377.355 3.148 20 30 GGEDRN Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H](C(=O)[O-])C(C)(C)C)c1C#N ZINC000832849589 602228817 /nfs/dbraw/zinc/22/88/17/602228817.db2.gz KMBZNAHOFCQQAV-LJQANCHMSA-N 0 0 396.491 3.052 20 30 GGEDRN C=CCOc1ccc(C[N@@H+](CC(=O)N2CCC(C(=O)[O-])CC2)C(C)(C)C)cc1 ZINC000825699411 602324578 /nfs/dbraw/zinc/32/45/78/602324578.db2.gz ZLLRJXBJCYNNJT-UHFFFAOYSA-N 0 0 388.508 3.175 20 30 GGEDRN N#Cc1c(NC(=O)CC[N@@H+](CC(=O)[O-])C2CCCC2)sc2c1CCCC2 ZINC000833067550 602339717 /nfs/dbraw/zinc/33/97/17/602339717.db2.gz FBDQUSQNTAAYDW-UHFFFAOYSA-N 0 0 375.494 3.156 20 30 GGEDRN C=CCC[C@H](NC(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000823894558 607570605 /nfs/dbraw/zinc/57/06/05/607570605.db2.gz SXCDWXBJEHPTRK-SFHVURJKSA-N 0 0 392.463 3.382 20 30 GGEDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000826246274 607686723 /nfs/dbraw/zinc/68/67/23/607686723.db2.gz YUUNKYRJAVUPAZ-CQSZACIVSA-N 0 0 387.230 3.477 20 30 GGEDRN COc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])cc1OCCCC#N ZINC000832314766 604466877 /nfs/dbraw/zinc/46/68/77/604466877.db2.gz OSXACKCHKFGWDU-IBGZPJMESA-N 0 0 380.444 3.389 20 30 GGEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)C2(C(=O)[O-])CCCC2)c1C#N ZINC000832849336 604467311 /nfs/dbraw/zinc/46/73/11/604467311.db2.gz DOOIAJXJEFYSOK-UHFFFAOYSA-N 0 0 386.496 3.359 20 30 GGEDRN C[C@H](Oc1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1)C(=O)[O-] ZINC000833539024 604525803 /nfs/dbraw/zinc/52/58/03/604525803.db2.gz FXYUZDJGOYFCHF-SFHVURJKSA-N 0 0 393.487 3.118 20 30 GGEDRN C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)cc1OCC ZINC000263387659 604543956 /nfs/dbraw/zinc/54/39/56/604543956.db2.gz DJOQOWJMBGXPBK-ZDUSSCGKSA-N 0 0 384.270 3.319 20 30 GGEDRN C[C@H](Oc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1)C(=O)[O-] ZINC000833538013 604566461 /nfs/dbraw/zinc/56/64/61/604566461.db2.gz BAHFTJAPEFRQDL-KRWDZBQOSA-N 0 0 379.460 3.122 20 30 GGEDRN CC(C)c1cnc(CN(C)[C@H]2CCN(Cc3cccc(C(=O)[O-])c3C#N)C2)o1 ZINC000833511607 604609560 /nfs/dbraw/zinc/60/95/60/604609560.db2.gz ZTFXRLMZTYADRW-INIZCTEOSA-N 0 0 382.464 3.074 20 30 GGEDRN C=C[C@@H](CC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1)c1ccccc1 ZINC000833370367 604739591 /nfs/dbraw/zinc/73/95/91/604739591.db2.gz CMSLPOFRXIHYRJ-SFHVURJKSA-N 0 0 393.487 3.192 20 30 GGEDRN N#Cc1ccc([C@H](C(=O)[O-])[NH+]2CCN(CCOc3ccccc3Cl)CC2)cc1 ZINC000833071549 604790921 /nfs/dbraw/zinc/79/09/21/604790921.db2.gz IZJZOJJQVZGUJW-HXUWFJFHSA-N 0 0 399.878 3.034 20 30 GGEDRN COc1cc(N[C@@H]2CCC[N@@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000832027259 604799188 /nfs/dbraw/zinc/79/91/88/604799188.db2.gz WZUOUOREWZNNJI-UTKZUKDTSA-N 0 0 395.459 3.278 20 30 GGEDRN COc1cc(N[C@H]2CCC[N@@H+]([C@H](C(=O)[O-])c3cccc(C#N)c3)C2)cc(OC)c1 ZINC000832026099 604801297 /nfs/dbraw/zinc/80/12/97/604801297.db2.gz GMAOXIPGGRSCBX-UWJYYQICSA-N 0 0 395.459 3.278 20 30 GGEDRN C[C@]1([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCC[C@@H]1C(=O)[O-] ZINC000833573687 604815696 /nfs/dbraw/zinc/81/56/96/604815696.db2.gz YHIKCQJSSROGIM-QRWLVFNGSA-N 0 0 389.521 3.450 20 30 GGEDRN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000833421720 604943274 /nfs/dbraw/zinc/94/32/74/604943274.db2.gz ZUKIXGMRSIJHSA-AWEZNQCLSA-N 0 0 375.494 3.064 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833375689 604944304 /nfs/dbraw/zinc/94/43/04/604944304.db2.gz CZYYCEYFJCXGJG-JKSUJKDBSA-N 0 0 378.538 3.474 20 30 GGEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833411071 604950951 /nfs/dbraw/zinc/95/09/51/604950951.db2.gz LGZMBHOBGQWNKI-QWHCGFSZSA-N 0 0 389.521 3.258 20 30 GGEDRN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000833421003 604952545 /nfs/dbraw/zinc/95/25/45/604952545.db2.gz GGNMDXXDNYSBNE-JKSUJKDBSA-N 0 0 392.459 3.046 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H]3CC(=O)[O-])sc2C1 ZINC000833617202 604967126 /nfs/dbraw/zinc/96/71/26/604967126.db2.gz OIXNACXZQHBVBZ-CHWSQXEVSA-N 0 0 375.494 3.012 20 30 GGEDRN C[C@]1([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)CCCC[C@H]1C(=O)[O-] ZINC000833571788 605064855 /nfs/dbraw/zinc/06/48/55/605064855.db2.gz IKBIWTBCLNRBAH-LPHOPBHVSA-N 0 0 377.872 3.210 20 30 GGEDRN C#CC[C@@H]([NH2+]CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C)c1ccccc1 ZINC000833360918 605133988 /nfs/dbraw/zinc/13/39/88/605133988.db2.gz SEXXWEMHOATVGK-WIYYLYMNSA-N 0 0 389.455 3.076 20 30 GGEDRN CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000833638953 605224580 /nfs/dbraw/zinc/22/45/80/605224580.db2.gz LRTJDKDIBHHJKB-PONJGIIJSA-N 0 0 393.487 3.491 20 30 GGEDRN CCN(CCC#N)C(=O)Nc1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821207945 606153679 /nfs/dbraw/zinc/15/36/79/606153679.db2.gz ZDWMGKHEVVMHNJ-UHFFFAOYSA-N 0 0 377.408 3.426 20 30 GGEDRN N#Cc1cc(F)ccc1NC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000822822710 606267025 /nfs/dbraw/zinc/26/70/25/606267025.db2.gz CPSUHCOHGQAIGQ-UHFFFAOYSA-N 0 0 380.383 3.065 20 30 GGEDRN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC000822801082 606299662 /nfs/dbraw/zinc/29/96/62/606299662.db2.gz DONQOGUQFWSQLB-CZUORRHYSA-N 0 0 392.394 3.220 20 30 GGEDRN CCOC(=O)CCOc1ccc(C(=O)C=Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000821330392 606305053 /nfs/dbraw/zinc/30/50/53/606305053.db2.gz KIWLUDUOPHPPSG-BQYQJAHWSA-N 0 0 398.444 3.156 20 30 GGEDRN O=C1C(=Cc2cc(-c3nn[nH]n3)cs2)COc2c(Br)cccc21 ZINC000823498362 606306234 /nfs/dbraw/zinc/30/62/34/606306234.db2.gz MHWOTCVUKUYOHG-YWEYNIOJSA-N 0 0 389.234 3.349 20 30 GGEDRN N#Cc1csc(C=C2SC(=S)N(c3ccccc3-c3nn[nH]n3)C2=O)c1 ZINC000822846108 606337148 /nfs/dbraw/zinc/33/71/48/606337148.db2.gz PAFOADINXMBMHV-AWNIVKPZSA-N 0 0 396.482 3.206 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000819742838 606348533 /nfs/dbraw/zinc/34/85/33/606348533.db2.gz ANNIBNHGZVERFU-UHFFFAOYSA-N 0 0 382.399 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/nfs/dbraw/zinc/45/61/60/606456160.db2.gz UCSZXBCOYKUQNM-UHFFFAOYSA-N 0 0 384.440 3.335 20 30 GGEDRN COc1ccccc1C=NOCc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821891051 606594743 /nfs/dbraw/zinc/59/47/43/606594743.db2.gz UFXFSFNXKZOJIS-UHFFFAOYSA-N 0 0 375.335 3.027 20 30 GGEDRN CC[C@@H]1CC[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nn[nH]n4)cc3)cs2)O1 ZINC000820971475 606839195 /nfs/dbraw/zinc/83/91/95/606839195.db2.gz CNDVBAPQWLSCLU-FMKPAKJESA-N 0 0 394.460 3.124 20 30 GGEDRN N#Cc1cccc(OCCCSCCOc2ccccc2-c2nn[nH]n2)c1 ZINC000822837633 606841956 /nfs/dbraw/zinc/84/19/56/606841956.db2.gz PUYYYRPNKHGJPK-UHFFFAOYSA-N 0 0 381.461 3.319 20 30 GGEDRN N#CCc1ccc(NC(=O)CSc2ccc(-c3nn[nH]n3)cc2Cl)cc1 ZINC000822814510 606850188 /nfs/dbraw/zinc/85/01/88/606850188.db2.gz GVOIEDLOMRNLIE-UHFFFAOYSA-N 0 0 384.852 3.317 20 30 GGEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000822801371 606907668 /nfs/dbraw/zinc/90/76/68/606907668.db2.gz HXUSEBGHTOCSOK-NHCUHLMSSA-N 0 0 388.475 3.407 20 30 GGEDRN 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/nfs/dbraw/zinc/36/72/54/1399367254.db2.gz FHAKNNPDPGKNQX-OAHLLOKOSA-N 0 0 389.477 3.410 20 30 GGEDRN C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)N(CCC#N)CCC#N)cc3c2C1 ZINC000021228411 1399370272 /nfs/dbraw/zinc/37/02/72/1399370272.db2.gz OYKCZYQSJZARJQ-OAHLLOKOSA-N 0 0 392.459 3.105 20 30 GGEDRN C=CCn1c(SCC(=O)c2ccc[nH]2)nnc1[C@@H]1COc2ccccc2O1 ZINC000021243651 1399370811 /nfs/dbraw/zinc/37/08/11/1399370811.db2.gz YIZPKUJWXPTAGT-KRWDZBQOSA-N 0 0 382.445 3.280 20 30 GGEDRN CC(C)c1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)cc1 ZINC000021277261 1399372032 /nfs/dbraw/zinc/37/20/32/1399372032.db2.gz OOANCEUWMYULAV-JOCHJYFZSA-N 0 0 375.428 3.332 20 30 GGEDRN CC(C)c1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)cc1 ZINC000021277257 1399372034 /nfs/dbraw/zinc/37/20/34/1399372034.db2.gz OOANCEUWMYULAV-QFIPXVFZSA-N 0 0 375.428 3.332 20 30 GGEDRN CCCn1c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc1-c1ccncc1 ZINC000021326895 1399374646 /nfs/dbraw/zinc/37/46/46/1399374646.db2.gz BULHSFUYNHLNJL-LIRRHRJNSA-N 0 0 386.525 3.285 20 30 GGEDRN CCCn1c(SCC(=O)N(CC#N)c2ccccc2)nnc1-c1ccncc1 ZINC000021326318 1399374667 /nfs/dbraw/zinc/37/46/67/1399374667.db2.gz OSZUFGYZESGXSW-UHFFFAOYSA-N 0 0 392.488 3.399 20 30 GGEDRN Cc1cc(NC(=O)[C@H](C)ON=C(N)c2ccccc2)ccc1Br ZINC000021387750 1399377048 /nfs/dbraw/zinc/37/70/48/1399377048.db2.gz ZURUQEFQYYRLMV-LBPRGKRZSA-N 0 0 376.254 3.422 20 30 GGEDRN N#Cc1ccccc1OCC(=O)OCC(=O)Nc1ccccc1SC(F)F ZINC000021390905 1399377786 /nfs/dbraw/zinc/37/77/86/1399377786.db2.gz ZDPDVGGTGHPLNY-UHFFFAOYSA-N 0 0 392.383 3.434 20 30 GGEDRN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nc(N)c(C#N)cc1C#N ZINC000021424856 1399380104 /nfs/dbraw/zinc/38/01/04/1399380104.db2.gz RFTPNUHMPWMOGC-NVMNQCDNSA-N 0 0 389.484 3.380 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)CSC(=S)N2CCCC2)cc1 ZINC000021455449 1399382229 /nfs/dbraw/zinc/38/22/29/1399382229.db2.gz GXXOMFMPUOQRLS-UHFFFAOYSA-N 0 0 377.535 3.446 20 30 GGEDRN C[C@@](C#N)(NC(=O)COC(=O)COc1ccccc1-c1ccccc1)C1CC1 ZINC000021458463 1399382258 /nfs/dbraw/zinc/38/22/58/1399382258.db2.gz QWPKENSPIJYIOF-QFIPXVFZSA-N 0 0 378.428 3.084 20 30 GGEDRN N#Cc1ccsc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccco1 ZINC000021460566 1399382716 /nfs/dbraw/zinc/38/27/16/1399382716.db2.gz CEKBRDOVIMSDGF-UHFFFAOYSA-N 0 0 385.474 3.461 20 30 GGEDRN C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C4CC4)cc3c2C1 ZINC000021459599 1399382959 /nfs/dbraw/zinc/38/29/59/1399382959.db2.gz XPTUCKAEMRIILH-XMHCIUCPSA-N 0 0 379.460 3.258 20 30 GGEDRN C=CCNC(=O)c1ccccc1NC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 ZINC000021474476 1399383726 /nfs/dbraw/zinc/38/37/26/1399383726.db2.gz RXOSOVSHKFWZRB-HXUWFJFHSA-N 0 0 379.460 3.117 20 30 GGEDRN C=CCNC(=O)c1ccccc1NC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1 ZINC000021474473 1399383827 /nfs/dbraw/zinc/38/38/27/1399383827.db2.gz RXOSOVSHKFWZRB-FQEVSTJZSA-N 0 0 379.460 3.117 20 30 GGEDRN COc1ccc(OC)c(/C=N/O[C@H](C)C(=O)Nc2ccc(OC)cc2OC)c1 ZINC000021652391 1399397969 /nfs/dbraw/zinc/39/79/69/1399397969.db2.gz UDEIJHFZGFAAAT-LNOXHEFASA-N 0 0 388.420 3.099 20 30 GGEDRN Cc1cc(C)n2nc(S[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)nc2n1 ZINC000021653047 1399398032 /nfs/dbraw/zinc/39/80/32/1399398032.db2.gz JJTMYHUOVMSLME-CQSZACIVSA-N 0 0 398.467 3.308 20 30 GGEDRN Cc1cc(C)n2nc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)nc2n1 ZINC000021652709 1399398071 /nfs/dbraw/zinc/39/80/71/1399398071.db2.gz HQZLBWFPYXWJGD-LLVKDONJSA-N 0 0 398.517 3.282 20 30 GGEDRN CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1C ZINC000021675625 1399400012 /nfs/dbraw/zinc/40/00/12/1399400012.db2.gz HXPQGMYLRIHJOX-MNHIZXKVSA-N 0 0 387.480 3.310 20 30 GGEDRN C[C@H](OC(=O)c1cc(=O)c2ccccc2o1)C(=O)N(CCC#N)c1ccccc1 ZINC000021678621 1399400059 /nfs/dbraw/zinc/40/00/59/1399400059.db2.gz PVMLHPPPVQLQEI-HNNXBMFYSA-N 0 0 390.395 3.285 20 30 GGEDRN C[C@H](Sc1nc2sccc2c(=O)n1C)C(=O)N(CCC#N)c1ccccc1 ZINC000021683899 1399400517 /nfs/dbraw/zinc/40/05/17/1399400517.db2.gz NRNREHWTWACRKG-ZDUSSCGKSA-N 0 0 398.513 3.422 20 30 GGEDRN Cc1c(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000021679116 1399400535 /nfs/dbraw/zinc/40/05/35/1399400535.db2.gz RKJFLFXZBRKASJ-OAHLLOKOSA-N 0 0 381.388 3.395 20 30 GGEDRN Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)c1 ZINC000021686146 1399400555 /nfs/dbraw/zinc/40/05/55/1399400555.db2.gz BINHNCXFWOLEJN-INIZCTEOSA-N 0 0 392.488 3.398 20 30 GGEDRN C[C@H](Sc1nnc(-c2cccnc2)n1C)C(=O)N(CCC#N)c1ccccc1 ZINC000021683690 1399400639 /nfs/dbraw/zinc/40/06/39/1399400639.db2.gz NOUQGYRAUBWLTC-HNNXBMFYSA-N 0 0 392.488 3.305 20 30 GGEDRN C#CCNC(=O)[C@@H](C)OC(=O)c1cccc2c1oc(-c1ccccc1)c(C)c2=O ZINC000021844519 1399415046 /nfs/dbraw/zinc/41/50/46/1399415046.db2.gz IBLIDFAQTASZBI-OAHLLOKOSA-N 0 0 389.407 3.063 20 30 GGEDRN COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 ZINC000021863150 1399416103 /nfs/dbraw/zinc/41/61/03/1399416103.db2.gz IOPAGCSXYUIFLY-MRXNPFEDSA-N 0 0 394.427 3.274 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1N ZINC000021880681 1399418909 /nfs/dbraw/zinc/41/89/09/1399418909.db2.gz SGTWWJYEDVCVQI-GFCCVEGCSA-N 0 0 389.506 3.009 20 30 GGEDRN Cn1cc(/C=C(/C(=O)Nc2ccc3c(c2)OCCO3)C(=O)c2ccccc2)cn1 ZINC000021957627 1399427159 /nfs/dbraw/zinc/42/71/59/1399427159.db2.gz FCKRZUXOMSKAIJ-WOJGMQOQSA-N 0 0 389.411 3.096 20 30 GGEDRN C=CCSc1ccccc1NC(=O)CN1CCN(Cc2ccccn2)CC1 ZINC000022012287 1399430853 /nfs/dbraw/zinc/43/08/53/1399430853.db2.gz FQPKITBPCRBUJC-UHFFFAOYSA-N 0 0 382.533 3.116 20 30 GGEDRN Cc1nc(CC(=O)OCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cs1 ZINC000022068285 1399434876 /nfs/dbraw/zinc/43/48/76/1399434876.db2.gz HASOEUBPGPQQLH-UHFFFAOYSA-N 0 0 391.880 3.446 20 30 GGEDRN C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1C)CCC3 ZINC000022070771 1399435040 /nfs/dbraw/zinc/43/50/40/1399435040.db2.gz YGBCXWYQAFVZPI-LBPRGKRZSA-N 0 0 391.562 3.389 20 30 GGEDRN C=CCn1c(SCC(=O)N[C@](C)(C#N)C2CC2)nnc1-c1cccc(C)c1 ZINC000022093595 1399436127 /nfs/dbraw/zinc/43/61/27/1399436127.db2.gz QRQWWJFBJNAJIM-HXUWFJFHSA-N 0 0 381.505 3.340 20 30 GGEDRN C=CCn1c(S[C@@H](C)C(=O)NC[C@H]2CCCO2)nnc1-c1cccc(C)c1 ZINC000022093376 1399436369 /nfs/dbraw/zinc/43/63/69/1399436369.db2.gz UBUVPVUNKWDHJZ-DOTOQJQBSA-N 0 0 386.521 3.215 20 30 GGEDRN C=CCc1ccccc1OC[C@H](O)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O ZINC000022096224 1399436384 /nfs/dbraw/zinc/43/63/84/1399436384.db2.gz AAYYZBHNSJKHRZ-VQIMIIECSA-N 0 0 380.444 3.012 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)COc1cccc(C(F)(F)F)c1 ZINC000022114173 1399437484 /nfs/dbraw/zinc/43/74/84/1399437484.db2.gz MKNYZJQBGSZBAL-YVEFUNNKSA-N 0 0 386.370 3.070 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)COc1cccc(C(F)(F)F)c1 ZINC000022114161 1399437734 /nfs/dbraw/zinc/43/77/34/1399437734.db2.gz MKNYZJQBGSZBAL-PXAZEXFGSA-N 0 0 386.370 3.070 20 30 GGEDRN Cc1c2c(nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c1C#N)CCC2 ZINC000022121307 1399438370 /nfs/dbraw/zinc/43/83/70/1399438370.db2.gz AIEHUROVTMWLMB-UHFFFAOYSA-N 0 0 381.457 3.252 20 30 GGEDRN COc1ccc(NC(=O)NC(=O)CSc2nc3c(c(C)c2C#N)CCC3)cc1 ZINC000022122661 1399438377 /nfs/dbraw/zinc/43/83/77/1399438377.db2.gz XPBYQJDDJKRZMP-UHFFFAOYSA-N 0 0 396.472 3.199 20 30 GGEDRN COC(=O)c1ccccc1NC(=O)CSc1nc2c(c(C)c1C#N)CCC2 ZINC000022120846 1399438453 /nfs/dbraw/zinc/43/84/53/1399438453.db2.gz WQFAEXJDTXBYML-UHFFFAOYSA-N 0 0 381.457 3.268 20 30 GGEDRN CC(=O)Nc1cccc(NC(=O)CSc2nc3c(c(C)c2C#N)CCC3)c1 ZINC000022121328 1399438499 /nfs/dbraw/zinc/43/84/99/1399438499.db2.gz UKUYLIYZWZETMY-UHFFFAOYSA-N 0 0 380.473 3.440 20 30 GGEDRN N#Cc1ccc(F)c(COC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c1 ZINC000022132547 1399438959 /nfs/dbraw/zinc/43/89/59/1399438959.db2.gz CWWKOWQZAAKKMD-UHFFFAOYSA-N 0 0 379.391 3.157 20 30 GGEDRN COc1ccccc1-c1nnc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)n1C ZINC000022137226 1399439571 /nfs/dbraw/zinc/43/95/71/1399439571.db2.gz UFAMIGQJWGWMQN-ORAYPTAESA-N 0 0 387.509 3.026 20 30 GGEDRN COCCn1c(SCCOc2ccc(C#N)cc2)nnc1-c1ccncc1 ZINC000022144421 1399440465 /nfs/dbraw/zinc/44/04/65/1399440465.db2.gz IQAQWWYTLDQMLQ-UHFFFAOYSA-N 0 0 381.461 3.029 20 30 GGEDRN CC(C)c1ccc(-n2nnnc2S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000022166225 1399441758 /nfs/dbraw/zinc/44/17/58/1399441758.db2.gz NIKQINCSFXAICG-IFXJQAMLSA-N 0 0 386.525 3.321 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2cccc(C)c2N)cc1 ZINC000022179013 1399441788 /nfs/dbraw/zinc/44/17/88/1399441788.db2.gz BAXHBLDIUMILQC-UHFFFAOYSA-N 0 0 381.432 3.080 20 30 GGEDRN CC(C)OC(=O)C[C@H](NC(=O)c1cccc(C#N)c1)c1ccccc1[N+](=O)[O-] ZINC000022187907 1399442315 /nfs/dbraw/zinc/44/23/15/1399442315.db2.gz FWVOJIFSRNIWFA-KRWDZBQOSA-N 0 0 381.388 3.279 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCC(=NOCc3ccccc3F)CC2)cc1 ZINC000022189591 1399442991 /nfs/dbraw/zinc/44/29/91/1399442991.db2.gz OGTQZJYDSKJENG-UHFFFAOYSA-N 0 0 376.453 3.491 20 30 GGEDRN COc1ccc(S(=O)(=O)N2CCC(=NOCc3ccccc3F)CC2)cc1 ZINC000022192028 1399443091 /nfs/dbraw/zinc/44/30/91/1399443091.db2.gz XTEJAPBOERLCAT-UHFFFAOYSA-N 0 0 392.452 3.192 20 30 GGEDRN Cc1oc(NC(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)c(C#N)c1C ZINC000022192515 1399443099 /nfs/dbraw/zinc/44/30/99/1399443099.db2.gz AFPBPEJDKOBYKK-UHFFFAOYSA-N 0 0 382.294 3.462 20 30 GGEDRN Cc1oc(NC(=O)COC(=O)COc2ccc(Cl)cc2C)c(C#N)c1C ZINC000022192496 1399443163 /nfs/dbraw/zinc/44/31/63/1399443163.db2.gz CNOFSOFXDOZVDF-UHFFFAOYSA-N 0 0 376.796 3.291 20 30 GGEDRN CC(=O)Nc1ccc(/C(C)=N/O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000022195074 1399443939 /nfs/dbraw/zinc/44/39/39/1399443939.db2.gz KBRQBCWSMUXXTE-KIQCMGJBSA-N 0 0 397.431 3.184 20 30 GGEDRN CCOc1ccc(-c2nnc(SCCOc3ccc(C#N)cc3)n2N)cc1 ZINC000022221331 1399445065 /nfs/dbraw/zinc/44/50/65/1399445065.db2.gz RUOYUSDXLQNHPM-UHFFFAOYSA-N 0 0 381.461 3.100 20 30 GGEDRN Cc1nc(-c2cccs2)c(CC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000022218972 1399445286 /nfs/dbraw/zinc/44/52/86/1399445286.db2.gz RUIHDRFZHGQIQU-SFHVURJKSA-N 0 0 391.518 3.320 20 30 GGEDRN Cc1oc(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c(C#N)c1C ZINC000022242836 1399446559 /nfs/dbraw/zinc/44/65/59/1399446559.db2.gz RCGMCXSBYKJPKA-INIZCTEOSA-N 0 0 380.448 3.057 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 ZINC000055630104 1407029839 /nfs/dbraw/zinc/02/98/39/1407029839.db2.gz SNRQBFNCGDFFFY-UHFFFAOYSA-N 0 0 399.859 3.222 20 30 GGEDRN C=CCNc1nnc(S[C@H](C)C(=O)NCCc2c[nH]c3ccccc23)s1 ZINC000022347379 1399455650 /nfs/dbraw/zinc/45/56/50/1399455650.db2.gz JUKXGHPAAGERBU-GFCCVEGCSA-N 0 0 387.534 3.457 20 30 GGEDRN C=CCNc1nnc(S[C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)s1 ZINC000022347264 1399455718 /nfs/dbraw/zinc/45/57/18/1399455718.db2.gz JZQFIEKCOJXWIJ-NSHDSACASA-N 0 0 392.506 3.350 20 30 GGEDRN Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)n1 ZINC000022361005 1399457186 /nfs/dbraw/zinc/45/71/86/1399457186.db2.gz LXTHGBVIANABLJ-CYBMUJFWSA-N 0 0 389.502 3.093 20 30 GGEDRN C=CCNc1nc(C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cs1 ZINC000022373533 1399458527 /nfs/dbraw/zinc/45/85/27/1399458527.db2.gz GUYFDLKVBRFEAL-BIWSTMPVSA-N 0 0 390.509 3.217 20 30 GGEDRN Cc1nc(C)c(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000022380764 1399459215 /nfs/dbraw/zinc/45/92/15/1399459215.db2.gz ACJLSEIMZQPPEA-VIFPVBQESA-N 0 0 375.475 3.366 20 30 GGEDRN Cc1nc(C)c(C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)s1 ZINC000022379389 1399459229 /nfs/dbraw/zinc/45/92/29/1399459229.db2.gz HWVOGMXMRZBDLO-UHFFFAOYSA-N 0 0 396.390 3.103 20 30 GGEDRN Cc1nn(C)c2sc(C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)cc12 ZINC000022393535 1399460343 /nfs/dbraw/zinc/46/03/43/1399460343.db2.gz UGRPXGLUKDTZCH-KRWDZBQOSA-N 0 0 397.479 3.105 20 30 GGEDRN Cc1ccc([C@@H](NC(=O)COC(=O)[C@H](C)Oc2ccc(C#N)cc2)C2CC2)cc1 ZINC000022401701 1399461073 /nfs/dbraw/zinc/46/10/73/1399461073.db2.gz ZVHBYVWIVNORPQ-KSFYIVLOSA-N 0 0 392.455 3.445 20 30 GGEDRN Cc1ccc([C@H](NC(=O)COC(=O)[C@H](C)Oc2ccc(C#N)cc2)C2CC2)cc1 ZINC000022401705 1399461084 /nfs/dbraw/zinc/46/10/84/1399461084.db2.gz ZVHBYVWIVNORPQ-AOMKIAJQSA-N 0 0 392.455 3.445 20 30 GGEDRN Cc1ccccc1CN(C)C(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000022434116 1399464167 /nfs/dbraw/zinc/46/41/67/1399464167.db2.gz 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Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000067141663 1409020193 /nfs/dbraw/zinc/02/01/93/1409020193.db2.gz ONVHJTMKVBINLD-UHFFFAOYSA-N 0 0 378.432 3.123 20 30 GGEDRN CC(=O)N[C@H](CC(=O)Nc1n[nH]c(-c2ccco2)n1)c1c(F)cccc1F ZINC000067149835 1409022915 /nfs/dbraw/zinc/02/29/15/1409022915.db2.gz DXYQHSOLCLEDMN-GFCCVEGCSA-N 0 0 375.335 3.198 20 30 GGEDRN Cc1c(C(=O)Nc2ccc(Cl)c(C#N)c2)nnn1-c1ccc2c(c1)OCCO2 ZINC000067154566 1409024818 /nfs/dbraw/zinc/02/48/18/1409024818.db2.gz ACOOAOQLEZAQMH-UHFFFAOYSA-N 0 0 395.806 3.124 20 30 GGEDRN C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1)c1ccc(C#N)cc1 ZINC000067160715 1409027560 /nfs/dbraw/zinc/02/75/60/1409027560.db2.gz ICOXBNIQKUDRET-HTAPYJJXSA-N 0 0 398.466 3.172 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000176578084 1428368865 /nfs/dbraw/zinc/36/88/65/1428368865.db2.gz SNTJBEORUPJVKV-CTNGQTDRSA-N 0 0 394.450 3.059 20 30 GGEDRN CCc1cc(C#N)c(NC(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2C)s1 ZINC000067166506 1409030562 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N#Cc1ccc(N2CCC(NC(=O)Nc3ccccc3N3CCCC3)CC2)nc1 ZINC000067254049 1409053665 /nfs/dbraw/zinc/05/36/65/1409053665.db2.gz RIHJCLSXLNVEAE-UHFFFAOYSA-N 0 0 390.491 3.344 20 30 GGEDRN CCCCCc1nnc(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000067253610 1409053677 /nfs/dbraw/zinc/05/36/77/1409053677.db2.gz PZFOWZHXYOHRDA-UHFFFAOYSA-N 0 0 399.524 3.328 20 30 GGEDRN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000067253459 1409053706 /nfs/dbraw/zinc/05/37/06/1409053706.db2.gz JASLVTGDNPGCKX-NSHDSACASA-N 0 0 392.868 3.002 20 30 GGEDRN CC(=O)Nc1cc(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)ccc1C ZINC000067262020 1409056892 /nfs/dbraw/zinc/05/68/92/1409056892.db2.gz REGSCPKWYYZCLG-UHFFFAOYSA-N 0 0 392.463 3.011 20 30 GGEDRN CCOc1cc(C)ccc1NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000067264710 1409058085 /nfs/dbraw/zinc/05/80/85/1409058085.db2.gz DTQWCXKCMZVHSF-UHFFFAOYSA-N 0 0 379.464 3.451 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000176586957 1428371917 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CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](CC)c1ccc(OC)cc1 ZINC000067325352 1409074604 /nfs/dbraw/zinc/07/46/04/1409074604.db2.gz RWXUVIBGACSHPW-QGZVFWFLSA-N 0 0 381.432 3.172 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](c1ccc(OC)cc1)C(C)C ZINC000067327125 1409075725 /nfs/dbraw/zinc/07/57/25/1409075725.db2.gz ZUXSUJVMOPRXEW-HXUWFJFHSA-N 0 0 395.459 3.418 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)N[C@H](c2ccc(OC)cc2)C2CC2)c1 ZINC000067327574 1409075984 /nfs/dbraw/zinc/07/59/84/1409075984.db2.gz STISQDWBPBRBNQ-FQEVSTJZSA-N 0 0 380.444 3.466 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)c1 ZINC000067327573 1409075998 /nfs/dbraw/zinc/07/59/98/1409075998.db2.gz STISQDWBPBRBNQ-HXUWFJFHSA-N 0 0 380.444 3.466 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)NCCc2ccc(OC(C)C)cc2)c1 ZINC000067343399 1409078905 /nfs/dbraw/zinc/07/89/05/1409078905.db2.gz BJXCLXNPNPIZST-UHFFFAOYSA-N 0 0 382.460 3.336 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)NCc2ccnc(OC3CCCC3)c2)c1 ZINC000067343460 1409079079 /nfs/dbraw/zinc/07/90/79/1409079079.db2.gz JPVCHPRVIRDTMS-UHFFFAOYSA-N 0 0 395.459 3.223 20 30 GGEDRN COCCCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000067346938 1409080051 /nfs/dbraw/zinc/08/00/51/1409080051.db2.gz YBLSLWVMFGRCAF-UHFFFAOYSA-N 0 0 381.432 3.140 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000067346822 1409080136 /nfs/dbraw/zinc/08/01/36/1409080136.db2.gz XTLIZGITOCPESH-OAHLLOKOSA-N 0 0 398.459 3.393 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)NCc2ccc(NC(=O)CCC)cc2)c1 ZINC000067347966 1409080503 /nfs/dbraw/zinc/08/05/03/1409080503.db2.gz SAONLNNNUZRDOZ-UHFFFAOYSA-N 0 0 395.459 3.245 20 30 GGEDRN Cc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cn1 ZINC000067348045 1409080511 /nfs/dbraw/zinc/08/05/11/1409080511.db2.gz RSYCADVOFTZFRV-UHFFFAOYSA-N 0 0 386.411 3.309 20 30 GGEDRN N#Cc1nc(NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1Cl ZINC000067348028 1409080618 /nfs/dbraw/zinc/08/06/18/1409080618.db2.gz HPNSGWVPHIVKMT-UHFFFAOYSA-N 0 0 390.896 3.393 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000067348713 1409080657 /nfs/dbraw/zinc/08/06/57/1409080657.db2.gz LXMVVMVKMVEQMD-HNNXBMFYSA-N 0 0 399.447 3.388 20 30 GGEDRN CCOc1cc(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)ccc1C ZINC000067348305 1409080686 /nfs/dbraw/zinc/08/06/86/1409080686.db2.gz LKMABEMUHBSRGK-UHFFFAOYSA-N 0 0 379.464 3.451 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000176592449 1428373135 /nfs/dbraw/zinc/37/31/35/1428373135.db2.gz CCMWWMMAXOGOEB-UHFFFAOYSA-N 0 0 399.813 3.443 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)NCc2ccccc2COC(C)C)c1 ZINC000067348991 1409080922 /nfs/dbraw/zinc/08/09/22/1409080922.db2.gz FMJAOVVWBKLHBP-UHFFFAOYSA-N 0 0 382.460 3.431 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCc2sccc2C)cc1 ZINC000067350504 1409081181 /nfs/dbraw/zinc/08/11/81/1409081181.db2.gz JDKSSBXOGULDBB-UHFFFAOYSA-N 0 0 397.500 3.126 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCCC[C@H]2CC)cc1 ZINC000067355955 1409082414 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CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000067367628 1409088075 /nfs/dbraw/zinc/08/80/75/1409088075.db2.gz KXXVFANUYZIUFE-GOSISDBHSA-N 0 0 377.444 3.129 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000067367611 1409088198 /nfs/dbraw/zinc/08/81/98/1409088198.db2.gz NFGWESVKCUIBEC-GFCCVEGCSA-N 0 0 387.386 3.393 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(OC)cc1 ZINC000067367996 1409088661 /nfs/dbraw/zinc/08/86/61/1409088661.db2.gz IYQNPEYBCMSOMG-CQSZACIVSA-N 0 0 381.432 3.124 20 30 GGEDRN N#C[C@H](NC(=O)c1cccc(NC(=O)CCn2ccnc2)c1)C1CCCCC1 ZINC000176594030 1428373728 /nfs/dbraw/zinc/37/37/28/1428373728.db2.gz ITWASAAKUJLOPI-IBGZPJMESA-N 0 0 379.464 3.114 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000067369897 1409089016 /nfs/dbraw/zinc/08/90/16/1409089016.db2.gz NJHVHNXMYXSTEG-GFCCVEGCSA-N 0 0 387.386 3.393 20 30 GGEDRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C#N)C2CCCCC2)ccc1C ZINC000176594138 1428373820 /nfs/dbraw/zinc/37/38/20/1428373820.db2.gz OGLBINHUXRVMCR-SFHVURJKSA-N 0 0 391.537 3.228 20 30 GGEDRN N#Cc1nc(NCC2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1Cl ZINC000067370394 1409089392 /nfs/dbraw/zinc/08/93/92/1409089392.db2.gz LNQNQIYMQKUTDH-UHFFFAOYSA-N 0 0 390.896 3.119 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(-c2csnn2)cc1 ZINC000067372748 1409089838 /nfs/dbraw/zinc/08/98/38/1409089838.db2.gz YENTYQXNUFUORE-UHFFFAOYSA-N 0 0 378.457 3.358 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CC)C2)cc1 ZINC000067373730 1409090156 /nfs/dbraw/zinc/09/01/56/1409090156.db2.gz YGTCNJOTIIMMPB-QGZVFWFLSA-N 0 0 383.492 3.088 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000067374478 1409090205 /nfs/dbraw/zinc/09/02/05/1409090205.db2.gz AVGBNTXWVQKRRK-SFHVURJKSA-N 0 0 395.434 3.268 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000067374395 1409090494 /nfs/dbraw/zinc/09/04/94/1409090494.db2.gz GBMXPXUOQXANMY-IBGZPJMESA-N 0 0 392.459 3.434 20 30 GGEDRN 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/nfs/dbraw/zinc/12/16/16/1411121616.db2.gz LLNYCGJFIVDSTC-DYVFJYSZSA-N 0 0 378.432 3.297 20 30 GGEDRN CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1 ZINC000105758456 1411122097 /nfs/dbraw/zinc/12/20/97/1411122097.db2.gz UFEKVLHNCXAIMI-CVAIRZPRSA-N 0 0 395.503 3.496 20 30 GGEDRN N#C[C@@H](C(=O)Nc1cccc2ccccc21)C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000105757510 1411122549 /nfs/dbraw/zinc/12/25/49/1411122549.db2.gz ZWCFVRYZUKWJDN-PKOBYXMFSA-N 0 0 389.455 3.136 20 30 GGEDRN CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1 ZINC000105757436 1411122553 /nfs/dbraw/zinc/12/25/53/1411122553.db2.gz JZZWIVFPQNJQSM-ICSRJNTNSA-N 0 0 395.503 3.325 20 30 GGEDRN CN(C(=O)c1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)c1)c1ccccc1 ZINC000105759846 1411122833 /nfs/dbraw/zinc/12/28/33/1411122833.db2.gz CAJWTRVQAAZLRH-LJQANCHMSA-N 0 0 398.422 3.319 20 30 GGEDRN CC[C@H](CC(=O)[C@@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1)C(C)C ZINC000105759766 1411122909 /nfs/dbraw/zinc/12/29/09/1411122909.db2.gz DJLYQPRYMBBUST-IEBWSBKVSA-N 0 0 395.507 3.352 20 30 GGEDRN CC[C@H](CC(=O)[C@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1)C(C)C ZINC000105759772 1411122965 /nfs/dbraw/zinc/12/29/65/1411122965.db2.gz DJLYQPRYMBBUST-MJGOQNOKSA-N 0 0 395.507 3.352 20 30 GGEDRN CC[C@@H](CC(=O)[C@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1)C(C)C ZINC000105759770 1411122995 /nfs/dbraw/zinc/12/29/95/1411122995.db2.gz DJLYQPRYMBBUST-HKUYNNGSSA-N 0 0 395.507 3.352 20 30 GGEDRN CC[C@@H](CC(=O)[C@@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1)C(C)C ZINC000105759763 1411123027 /nfs/dbraw/zinc/12/30/27/1411123027.db2.gz DJLYQPRYMBBUST-PKOBYXMFSA-N 0 0 395.507 3.352 20 30 GGEDRN CC[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(C)C ZINC000105758699 1411123037 /nfs/dbraw/zinc/12/30/37/1411123037.db2.gz OFEDOEPOIHIODB-FUHWJXTLSA-N 0 0 396.491 3.204 20 30 GGEDRN CN(CC#Cc1ccc(Cl)cc1)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000176983061 1428540763 /nfs/dbraw/zinc/54/07/63/1428540763.db2.gz GAOLFGZJENFKTA-UHFFFAOYSA-N 0 0 397.906 3.099 20 30 GGEDRN C#Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)c1 ZINC000105843415 1411126822 /nfs/dbraw/zinc/12/68/22/1411126822.db2.gz OFCMOPDNYOVGNM-AWEZNQCLSA-N 0 0 383.245 3.422 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000105910986 1411130136 /nfs/dbraw/zinc/13/01/36/1411130136.db2.gz BWXKTYFOQJQELS-NRFANRHFSA-N 0 0 399.450 3.377 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000105942726 1411131663 /nfs/dbraw/zinc/13/16/63/1411131663.db2.gz ARKQAGRRRFDRDR-UHFFFAOYSA-N 0 0 385.514 3.204 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1coc(-c2cccs2)n1 ZINC000105947786 1411132354 /nfs/dbraw/zinc/13/23/54/1411132354.db2.gz GESIDLCAFLBGSN-UHFFFAOYSA-N 0 0 381.457 3.492 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)c2ccccc2)cc1 ZINC000176987581 1428542359 /nfs/dbraw/zinc/54/23/59/1428542359.db2.gz AHXZUZJVVJBFEB-HOTGVXAUSA-N 0 0 394.475 3.241 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)Cc2coc(-c3cccs3)n2)CC1 ZINC000106011278 1411148218 /nfs/dbraw/zinc/14/82/18/1411148218.db2.gz RQSUJRNBIDAGNJ-GOSISDBHSA-N 0 0 392.484 3.355 20 30 GGEDRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCO[C@@H](C#N)C1 ZINC000106047664 1411158843 /nfs/dbraw/zinc/15/88/43/1411158843.db2.gz LDIFPWZWWCUXDI-LBPRGKRZSA-N 0 0 389.864 3.327 20 30 GGEDRN CC(C)c1nc(C(=O)N2CCO[C@@H](C#N)C2)nn1-c1c(Cl)cccc1Cl ZINC000106044908 1411158858 /nfs/dbraw/zinc/15/88/58/1411158858.db2.gz YSDVNKGESGXLSW-NSHDSACASA-N 0 0 394.262 3.062 20 30 GGEDRN N#C[C@H]1CN(C(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CCO1 ZINC000106049183 1411159298 /nfs/dbraw/zinc/15/92/98/1411159298.db2.gz LYUCVCKCJOVAOC-INIZCTEOSA-N 0 0 378.457 3.220 20 30 GGEDRN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CCO[C@@H](C#N)C2)c1 ZINC000106052292 1411159339 /nfs/dbraw/zinc/15/93/39/1411159339.db2.gz SRTZAWBGLYFKKJ-IBGZPJMESA-N 0 0 390.418 3.351 20 30 GGEDRN CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCO[C@@H](C#N)C2)cc1 ZINC000106052443 1411159785 /nfs/dbraw/zinc/15/97/85/1411159785.db2.gz ODTCRTCFELJWPA-FQEVSTJZSA-N 0 0 386.455 3.466 20 30 GGEDRN Cc1cc(-c2cc(C(=O)N3CCO[C@H](C#N)C3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000106050505 1411159966 /nfs/dbraw/zinc/15/99/66/1411159966.db2.gz SUCLIUIOHAGTJV-OAHLLOKOSA-N 0 0 393.447 3.254 20 30 GGEDRN Cc1ccccc1-c1cc(C(=O)N2CCO[C@H](C#N)C2)c2cnn(C(C)C)c2n1 ZINC000106050575 1411160038 /nfs/dbraw/zinc/16/00/38/1411160038.db2.gz RKLJEHHLAJVDQK-MRXNPFEDSA-N 0 0 389.459 3.352 20 30 GGEDRN Cc1cc(-c2cc(C(=O)N3CCO[C@H](C#N)C3)c3c(C)noc3n2)c(C)s1 ZINC000106050485 1411160114 /nfs/dbraw/zinc/16/01/14/1411160114.db2.gz NYHDKYMFJARYCW-CYBMUJFWSA-N 0 0 382.445 3.241 20 30 GGEDRN Cc1occc1-c1nn(CN2CCO[C@H](C#N)C2)c(=S)n1Cc1ccccc1 ZINC000106064357 1411161641 /nfs/dbraw/zinc/16/16/41/1411161641.db2.gz BGAGKXAMLGWMLL-QGZVFWFLSA-N 0 0 395.488 3.213 20 30 GGEDRN N#C[C@@H]1CN(Cn2nc(SCc3ccc(F)cc3)sc2=S)CCO1 ZINC000106064684 1411161663 /nfs/dbraw/zinc/16/16/63/1411161663.db2.gz KONLZDPZKXZMEL-CYBMUJFWSA-N 0 0 382.511 3.287 20 30 GGEDRN N#C[C@H]1CN(Cn2nc(Cc3ccccc3)n(-c3ccccc3)c2=S)CCO1 ZINC000106064501 1411162172 /nfs/dbraw/zinc/16/21/72/1411162172.db2.gz ZLMVEYZNIQWNFQ-IBGZPJMESA-N 0 0 391.500 3.176 20 30 GGEDRN Cc1occc1-c1nn(CN2CCO[C@@H](C#N)C2)c(=S)n1-c1ccccc1 ZINC000106064363 1411162227 /nfs/dbraw/zinc/16/22/27/1411162227.db2.gz ZOSMLNUQCFXGOD-INIZCTEOSA-N 0 0 381.461 3.154 20 30 GGEDRN CCCn1c(-c2ccc(Cl)cc2)nn(CN2CCO[C@H](C#N)C2)c1=S ZINC000106065146 1411162244 /nfs/dbraw/zinc/16/22/44/1411162244.db2.gz IKAAKRYBLDLCHY-OAHLLOKOSA-N 0 0 377.901 3.326 20 30 GGEDRN NC(Cc1ccc(Cl)cc1)=NOCC(=O)Nc1ccccc1OC(F)F ZINC000106067358 1411162721 /nfs/dbraw/zinc/16/27/21/1411162721.db2.gz CJLDFTMIAZIBDP-UHFFFAOYSA-N 0 0 383.782 3.411 20 30 GGEDRN C[C@@H](ON=C(N)Cc1ccc(Cl)cc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000106067173 1411163341 /nfs/dbraw/zinc/16/33/41/1411163341.db2.gz OGLPEGOALDJPAN-CXAGYDPISA-N 0 0 387.867 3.200 20 30 GGEDRN C[C@H](ON=C(N)Cc1ccc(Cl)cc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000106067171 1411163565 /nfs/dbraw/zinc/16/35/65/1411163565.db2.gz OGLPEGOALDJPAN-SUMWQHHRSA-N 0 0 387.867 3.200 20 30 GGEDRN CC(=O)Nc1cccc(NC(=O)[C@H](C)ON=C(N)Cc2ccc(Cl)cc2)c1 ZINC000106067198 1411163598 /nfs/dbraw/zinc/16/35/98/1411163598.db2.gz NUVSKGNWYDWZBA-LBPRGKRZSA-N 0 0 388.855 3.157 20 30 GGEDRN N#Cc1ccsc1N1CC[C@H](N2CCC(C(=O)Nc3ccccc3)CC2)C1=O ZINC000176991251 1428543768 /nfs/dbraw/zinc/54/37/68/1428543768.db2.gz VHKRKXNLSFZVCQ-SFHVURJKSA-N 0 0 394.500 3.076 20 30 GGEDRN C[C@@](C#N)(NC(=O)CNc1cccc(C(=O)OCc2ccccc2)c1)C1CC1 ZINC000106068542 1411165132 /nfs/dbraw/zinc/16/51/32/1411165132.db2.gz OQVFAZIULARPAC-QFIPXVFZSA-N 0 0 377.444 3.264 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000176992287 1428544233 /nfs/dbraw/zinc/54/42/33/1428544233.db2.gz KYNGMNGWJHTWKW-UHFFFAOYSA-N 0 0 396.878 3.431 20 30 GGEDRN N#CCSc1cccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000176994641 1428545075 /nfs/dbraw/zinc/54/50/75/1428545075.db2.gz GUFKPTGEVFVRNM-DOTOQJQBSA-N 0 0 388.514 3.328 20 30 GGEDRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3nn(C(C)C)cc3C#N)C2)cc1 ZINC000176994461 1428545171 /nfs/dbraw/zinc/54/51/71/1428545171.db2.gz BRBVBFVTLUGMMD-QGZVFWFLSA-N 0 0 379.464 3.135 20 30 GGEDRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3nn(C(C)C)cc3C#N)C2)cc1 ZINC000176994444 1428545412 /nfs/dbraw/zinc/54/54/12/1428545412.db2.gz BRBVBFVTLUGMMD-KRWDZBQOSA-N 0 0 379.464 3.135 20 30 GGEDRN NC(=CC(=O)N1CCCCC1)NOCc1csc(CCc2ccccc2)n1 ZINC000176995508 1428545630 /nfs/dbraw/zinc/54/56/30/1428545630.db2.gz MHGANEAQOOSPOK-UHFFFAOYSA-N 0 0 386.521 3.120 20 30 GGEDRN N#Cc1ccsc1N1CC[C@@H](N2CCC[C@H](C(=O)Nc3ccccc3)C2)C1=O ZINC000176995343 1428545855 /nfs/dbraw/zinc/54/58/55/1428545855.db2.gz PSFRHGXLHJDLBN-FUHWJXTLSA-N 0 0 394.500 3.076 20 30 GGEDRN COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000176995306 1428545869 /nfs/dbraw/zinc/54/58/69/1428545869.db2.gz TUCKILRIKOCJSF-ICSRJNTNSA-N 0 0 377.444 3.123 20 30 GGEDRN N#C[C@@H]1CN(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CCO1 ZINC000106323197 1411194790 /nfs/dbraw/zinc/19/47/90/1411194790.db2.gz MJFVDQIXHGZNER-QGZVFWFLSA-N 0 0 384.823 3.349 20 30 GGEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 ZINC000106322190 1411194889 /nfs/dbraw/zinc/19/48/89/1411194889.db2.gz VGJFWGSWYXNDKE-ZBJSNUHESA-N 0 0 398.488 3.047 20 30 GGEDRN N#C[C@H]1CN(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CCO1 ZINC000106323199 1411195082 /nfs/dbraw/zinc/19/50/82/1411195082.db2.gz MJFVDQIXHGZNER-KRWDZBQOSA-N 0 0 384.823 3.349 20 30 GGEDRN N#C[C@@H]1CN(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)CCO1 ZINC000106335401 1411196993 /nfs/dbraw/zinc/19/69/93/1411196993.db2.gz RIFFWQAXAQIHCL-MRXNPFEDSA-N 0 0 381.398 3.451 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCC2(c3ccccc3Cl)CCOCC2)cc1 ZINC000106353359 1411202824 /nfs/dbraw/zinc/20/28/24/1411202824.db2.gz ICMMIKNLMYJMRE-UHFFFAOYSA-N 0 0 397.862 3.015 20 30 GGEDRN CC(C)c1nc2c(n1C)CCN([C@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000106370219 1411208489 /nfs/dbraw/zinc/20/84/89/1411208489.db2.gz GLLXEVXZJAUOLC-CYBMUJFWSA-N 0 0 397.548 3.351 20 30 GGEDRN NC(=NOCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cnccn1 ZINC000176998475 1428547345 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CCORPQWGQGLCPU-CQSZACIVSA-N 0 0 393.472 3.189 20 30 GGEDRN C[C@@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000112678917 1412190866 /nfs/dbraw/zinc/19/08/66/1412190866.db2.gz ZXSYERRRACHKBO-AWEZNQCLSA-N 0 0 385.493 3.087 20 30 GGEDRN N#Cc1ccc(OCc2ccc(C(=O)N(CCO)CCc3ccccc3)o2)cc1 ZINC000112726766 1412204064 /nfs/dbraw/zinc/20/40/64/1412204064.db2.gz YJZMURCVWQXSPT-UHFFFAOYSA-N 0 0 390.439 3.407 20 30 GGEDRN C=C(Br)CN1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000112731786 1412205171 /nfs/dbraw/zinc/20/51/71/1412205171.db2.gz SHSYBYIMBLGEIO-LBPRGKRZSA-N 0 0 383.315 3.385 20 30 GGEDRN CCN(C(=O)Nc1cccc(C#Cc2ccccc2)c1)[C@@H](C)CS(C)(=O)=O ZINC000112734684 1412205683 /nfs/dbraw/zinc/20/56/83/1412205683.db2.gz SURLTBVCPCBYRW-KRWDZBQOSA-N 0 0 384.501 3.373 20 30 GGEDRN CCN(C(=O)Nc1cccc(C#Cc2ccccc2)c1)[C@H](C)CS(C)(=O)=O ZINC000112734685 1412205883 /nfs/dbraw/zinc/20/58/83/1412205883.db2.gz SURLTBVCPCBYRW-QGZVFWFLSA-N 0 0 384.501 3.373 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)NCCNC(=O)c2c(F)cccc2F)c1 ZINC000112737668 1412206695 /nfs/dbraw/zinc/20/66/95/1412206695.db2.gz ZVURILAZDALMIR-UHFFFAOYSA-N 0 0 389.402 3.471 20 30 GGEDRN Cc1cnn(-c2ccc(N[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)cc2F)c1 ZINC000177207970 1428632384 /nfs/dbraw/zinc/63/23/84/1428632384.db2.gz WARYTTLQAPGUPP-LJQANCHMSA-N 0 0 375.407 3.409 20 30 GGEDRN Cc1sc(NC(=O)CN2CCC[C@@H](c3nnc4ccccn43)C2)c(C#N)c1C ZINC000177207747 1428632407 /nfs/dbraw/zinc/63/24/07/1428632407.db2.gz NFUQTANTQQGWKU-OAHLLOKOSA-N 0 0 394.504 3.097 20 30 GGEDRN C=CCN(Cc1ccccc1F)C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000112751106 1412210732 /nfs/dbraw/zinc/21/07/32/1412210732.db2.gz POAXPXPTLPQSAV-UHFFFAOYSA-N 0 0 391.393 3.232 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)[C@H](c2ccccc2)C(C)C)cc1 ZINC000112754760 1412211394 /nfs/dbraw/zinc/21/13/94/1412211394.db2.gz AQIMEHAHRCLWMV-FQEVSTJZSA-N 0 0 393.487 3.397 20 30 GGEDRN C=CCSc1ccccc1NC(=O)CN1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000177208658 1428632680 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20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)NCc2cccc(OCC#N)c2)cc1OC ZINC000113106872 1412263585 /nfs/dbraw/zinc/26/35/85/1412263585.db2.gz WTCVEIBLMQVYPI-CSKARUKUSA-N 0 0 378.428 3.492 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2cn(C)nc2C(F)(F)F)ccc1OC ZINC000113110904 1412263995 /nfs/dbraw/zinc/26/39/95/1412263995.db2.gz IKJJMNFZNULHNC-GFCCVEGCSA-N 0 0 396.369 3.058 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(-c3ccncc3)on2)ccc1OC ZINC000113111743 1412264006 /nfs/dbraw/zinc/26/40/06/1412264006.db2.gz CGYOMTXJNXOTHG-MRXNPFEDSA-N 0 0 392.415 3.356 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2cccnc2N2CCCC2)ccc1OC ZINC000113111355 1412264050 /nfs/dbraw/zinc/26/40/50/1412264050.db2.gz BEKBKWNSNQVXGQ-KRWDZBQOSA-N 0 0 394.475 3.301 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(-n3cccn3)cc2)ccc1OC ZINC000113114413 1412264532 /nfs/dbraw/zinc/26/45/32/1412264532.db2.gz YXVQYCUVECBKID-IBGZPJMESA-N 0 0 390.443 3.492 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2[nH]c(C)c(C(C)=O)c2C)ccc1OC ZINC000113112997 1412264763 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20 30 GGEDRN C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1=O ZINC000113177199 1412271151 /nfs/dbraw/zinc/27/11/51/1412271151.db2.gz UZCYVRVSOCYLDD-BBRMVZONSA-N 0 0 383.835 3.225 20 30 GGEDRN CCCS(=O)(=O)Nc1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1 ZINC000113177084 1412271203 /nfs/dbraw/zinc/27/12/03/1412271203.db2.gz CFLSSHWYXOETIR-KRWDZBQOSA-N 0 0 391.880 3.486 20 30 GGEDRN COc1ccc(CN2C[C@H](C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000113178244 1412271207 /nfs/dbraw/zinc/27/12/07/1412271207.db2.gz DCARDUUPGXCEJN-APWZRJJASA-N 0 0 397.862 3.078 20 30 GGEDRN C[C@H]1Oc2ccccc2N(CCC(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1=O ZINC000113177202 1412271220 /nfs/dbraw/zinc/27/12/20/1412271220.db2.gz UZCYVRVSOCYLDD-CZUORRHYSA-N 0 0 383.835 3.225 20 30 GGEDRN C[C@H](CC(=O)N[C@H](C#N)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000113178199 1412271228 /nfs/dbraw/zinc/27/12/28/1412271228.db2.gz SFIXZFCJEBIHKA-SJKOYZFVSA-N 0 0 394.855 3.412 20 30 GGEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1 ZINC000113190682 1412272289 /nfs/dbraw/zinc/27/22/89/1412272289.db2.gz BLMNMKYMWHIDFU-HNNXBMFYSA-N 0 0 392.459 3.053 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N(C)c2ccc(C)c(Cl)c2)c1 ZINC000113191717 1412273037 /nfs/dbraw/zinc/27/30/37/1412273037.db2.gz OCVTUCLCSNFOLL-UHFFFAOYSA-N 0 0 378.881 3.389 20 30 GGEDRN CSc1nc(C2CC2)cc(C(=O)NCCC(=O)Nc2ccccc2)c1C#N ZINC000113209296 1412275603 /nfs/dbraw/zinc/27/56/03/1412275603.db2.gz PWLXIUXSZOOGNB-UHFFFAOYSA-N 0 0 380.473 3.311 20 30 GGEDRN N#CCOc1cccc(CNC(=O)c2cnn3c2nccc3-c2ccccc2)c1 ZINC000113210322 1412275622 /nfs/dbraw/zinc/27/56/22/1412275622.db2.gz LCVVVEHTAZPTRE-UHFFFAOYSA-N 0 0 383.411 3.229 20 30 GGEDRN CSc1nc(C2CC2)cc(C(=O)NCc2cccc(OCC#N)c2)c1C#N ZINC000113211385 1412276153 /nfs/dbraw/zinc/27/61/53/1412276153.db2.gz FZBMAHVGSWIDJK-UHFFFAOYSA-N 0 0 378.457 3.385 20 30 GGEDRN N#CCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000113211405 1412276507 /nfs/dbraw/zinc/27/65/07/1412276507.db2.gz PWGPAICCNWDVKW-UHFFFAOYSA-N 0 0 380.404 3.027 20 30 GGEDRN Cn1ccnc1SCc1ccc(C(=O)NCc2cccc(OCC#N)c2)o1 ZINC000113210592 1412276579 /nfs/dbraw/zinc/27/65/79/1412276579.db2.gz GFQYHPBTEDWJNO-UHFFFAOYSA-N 0 0 382.445 3.138 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000113215420 1412277625 /nfs/dbraw/zinc/27/76/25/1412277625.db2.gz YDESWWRIOWCAEL-HSZRJFAPSA-N 0 0 377.488 3.376 20 30 GGEDRN CCN(C(=O)[C@H](C)ON=C(N)c1ccc(N2CCCCC2)nc1)c1ccccc1 ZINC000113249331 1412282883 /nfs/dbraw/zinc/28/28/83/1412282883.db2.gz MQWLISSSHKQFGH-KRWDZBQOSA-N 0 0 395.507 3.150 20 30 GGEDRN N#CCOc1cccc(CNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000113303587 1412289333 /nfs/dbraw/zinc/28/93/33/1412289333.db2.gz CNWYZFKFYYEWNY-UHFFFAOYSA-N 0 0 388.342 3.225 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)Cc2ccccc2C)ccc1OC ZINC000113304037 1412289531 /nfs/dbraw/zinc/28/95/31/1412289531.db2.gz FYSZGFHEJQSHRW-SFHVURJKSA-N 0 0 388.489 3.304 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNS(=O)(=O)c2ccc(F)c(F)c2)ccc1OC ZINC000113304045 1412289653 /nfs/dbraw/zinc/28/96/53/1412289653.db2.gz PCVMORVUJRMGIG-CYBMUJFWSA-N 0 0 396.415 3.133 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNS(=O)(=O)Cc2ccccc2F)ccc1OC ZINC000113304099 1412290082 /nfs/dbraw/zinc/29/00/82/1412290082.db2.gz ADUHJIWLUXUKMM-MRXNPFEDSA-N 0 0 392.452 3.135 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)c2ccc(C)c(F)c2)ccc1OC ZINC000113304063 1412290130 /nfs/dbraw/zinc/29/01/30/1412290130.db2.gz AAGUXJUITLIVSZ-HNNXBMFYSA-N 0 0 392.452 3.302 20 30 GGEDRN COc1cccc(CNS(=O)(=O)c2cccc(C#N)c2)c1OC1CCCC1 ZINC000113305112 1412290292 /nfs/dbraw/zinc/29/02/92/1412290292.db2.gz ODFYEBFWXPFIJL-UHFFFAOYSA-N 0 0 386.473 3.367 20 30 GGEDRN C#CCOc1ccc(CN[C@H](c2nccn2C)c2cc(OC)cc(OC)c2)cc1 ZINC000113319153 1412292475 /nfs/dbraw/zinc/29/24/75/1412292475.db2.gz HLRRVVXXDKDKEH-QFIPXVFZSA-N 0 0 391.471 3.329 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNCc2nccn2CC(F)(F)F)ccc1OC ZINC000113347722 1412295919 /nfs/dbraw/zinc/29/59/19/1412295919.db2.gz LNJFTBZCXNEIRA-AWEZNQCLSA-N 0 0 382.386 3.425 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)NCc2ccc(N(C)C)cc2)ccc1OC ZINC000113366394 1412299264 /nfs/dbraw/zinc/29/92/64/1412299264.db2.gz PFKTYIWKKYFLSS-IBGZPJMESA-N 0 0 396.491 3.442 20 30 GGEDRN Cc1nccn1-c1ccc(CNC(=O)NCc2cccc(OCC#N)c2)cc1F ZINC000113383022 1412301864 /nfs/dbraw/zinc/30/18/64/1412301864.db2.gz UVINQSCRDWFTAI-UHFFFAOYSA-N 0 0 393.422 3.222 20 30 GGEDRN N#CCOc1cccc(CNC(=O)NCc2ccc(N3CCCCC3=O)cc2)c1 ZINC000113382265 1412301997 /nfs/dbraw/zinc/30/19/97/1412301997.db2.gz KNLSENCYWPJYPU-UHFFFAOYSA-N 0 0 392.459 3.105 20 30 GGEDRN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCc1cccc(OCC#N)c1 ZINC000113409950 1412304024 /nfs/dbraw/zinc/30/40/24/1412304024.db2.gz SIEDAMJPHWNESJ-INIZCTEOSA-N 0 0 390.447 3.072 20 30 GGEDRN N#CCOc1cccc(CNC(=O)CCn2c(=S)[nH]nc2-c2cccs2)c1 ZINC000113441687 1412306547 /nfs/dbraw/zinc/30/65/47/1412306547.db2.gz JHZWHEFSYMOHKF-UHFFFAOYSA-N 0 0 399.501 3.278 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000113549091 1412314215 /nfs/dbraw/zinc/31/42/15/1412314215.db2.gz NRQUNEQOUNJLBT-UHFFFAOYSA-N 0 0 378.432 3.155 20 30 GGEDRN CCN(CC)C(=O)c1ccccc1NC(=O)NCc1cccc(OCC#N)c1 ZINC000113553689 1412314633 /nfs/dbraw/zinc/31/46/33/1412314633.db2.gz OLMRTLJQLGKKHV-UHFFFAOYSA-N 0 0 380.448 3.393 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cc1 ZINC000113551675 1412314873 /nfs/dbraw/zinc/31/48/73/1412314873.db2.gz YSWHCFVFTVIREE-UHFFFAOYSA-N 0 0 395.341 3.345 20 30 GGEDRN CN(C)C(=O)C1(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCCC1 ZINC000113586341 1412318995 /nfs/dbraw/zinc/31/89/95/1412318995.db2.gz UBYBNQZJJZZIQB-UHFFFAOYSA-N 0 0 395.425 3.005 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)NCCc2ccc(C)nc2)ccc1OC ZINC000113620958 1412322680 /nfs/dbraw/zinc/32/26/80/1412322680.db2.gz AOCJPFMILBYTCP-GOSISDBHSA-N 0 0 382.464 3.122 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)Cc2c(C)noc2C)ccc1OC ZINC000113630654 1412324283 /nfs/dbraw/zinc/32/42/83/1412324283.db2.gz LGDNTKDWCJKTQY-INIZCTEOSA-N 0 0 386.452 3.323 20 30 GGEDRN N#CCOc1cccc(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2F)c1 ZINC000113648518 1412329352 /nfs/dbraw/zinc/32/93/52/1412329352.db2.gz GKBWCFYXSKRMAT-UHFFFAOYSA-N 0 0 395.312 3.002 20 30 GGEDRN N#CCOc1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2C(F)(F)F)c1 ZINC000113648536 1412329960 /nfs/dbraw/zinc/32/99/60/1412329960.db2.gz QRONAOMFWJARPM-UHFFFAOYSA-N 0 0 395.312 3.002 20 30 GGEDRN C#CCOc1ccc(NC(=O)C(=O)N(CCC)CCc2cccc(F)c2)cc1 ZINC000113649256 1412330261 /nfs/dbraw/zinc/33/02/61/1412330261.db2.gz YREPABSNGFXWOY-UHFFFAOYSA-N 0 0 382.435 3.258 20 30 GGEDRN CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2coc3ccccc32)cc1 ZINC000113653813 1412331371 /nfs/dbraw/zinc/33/13/71/1412331371.db2.gz IMNNQEYVURHZFG-MRXNPFEDSA-N 0 0 375.384 3.096 20 30 GGEDRN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)[C@@H](C#N)c1nnc2n1CCCCC2 ZINC000113654245 1412331548 /nfs/dbraw/zinc/33/15/48/1412331548.db2.gz ZJGCWGVPJDGRLP-DGCLKSJQSA-N 0 0 376.819 3.441 20 30 GGEDRN C#CC[C@@H](OC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccn1 ZINC000113660767 1412331813 /nfs/dbraw/zinc/33/18/13/1412331813.db2.gz CEDPJKROOQUESM-ZTLYHTANSA-N 0 0 395.503 3.347 20 30 GGEDRN C#CC[C@@H](OC(=O)c1nnn(-c2ccc3ncccc3c2)c1C)c1ccccn1 ZINC000113660834 1412331819 /nfs/dbraw/zinc/33/18/19/1412331819.db2.gz VOYGOWZZMPTEPG-HXUWFJFHSA-N 0 0 383.411 3.440 20 30 GGEDRN N#CCCN(C(=O)CCC(=O)O[C@@H]1CCC[C@H]1n1cccn1)c1ccccc1 ZINC000113660503 1412331907 /nfs/dbraw/zinc/33/19/07/1412331907.db2.gz VGVWCVQNBHLGIU-RTBURBONSA-N 0 0 380.448 3.247 20 30 GGEDRN C#CC[C@H](OC(=O)c1nnn(-c2cccc3cnccc32)c1C)c1ccccn1 ZINC000113660571 1412331988 /nfs/dbraw/zinc/33/19/88/1412331988.db2.gz DGSPUZPYCLECCH-FQEVSTJZSA-N 0 0 383.411 3.440 20 30 GGEDRN C#CC[C@H](OC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccn1 ZINC000113660765 1412332117 /nfs/dbraw/zinc/33/21/17/1412332117.db2.gz CEDPJKROOQUESM-JNCPLXCYSA-N 0 0 395.503 3.347 20 30 GGEDRN C#CC[C@H](OC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccccn1 ZINC000113661980 1412332475 /nfs/dbraw/zinc/33/24/75/1412332475.db2.gz DSQWZRNYYLPNND-CTNGQTDRSA-N 0 0 376.456 3.171 20 30 GGEDRN C#CC[C@@H](OC(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C)c1ccccn1 ZINC000113661534 1412332482 /nfs/dbraw/zinc/33/24/82/1412332482.db2.gz ASGVAZKHFOMPIM-GOSISDBHSA-N 0 0 392.459 3.229 20 30 GGEDRN C#CC[C@H](OC(=O)CCn1c2ccccc2n(CCC)c1=O)c1ccccn1 ZINC000113662142 1412332562 /nfs/dbraw/zinc/33/25/62/1412332562.db2.gz SBOXRTZXLMSWRQ-FQEVSTJZSA-N 0 0 377.444 3.306 20 30 GGEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCCc2cccnc2)CC1 ZINC000113666815 1412333084 /nfs/dbraw/zinc/33/30/84/1412333084.db2.gz OAIMODBRYVRCIO-UHFFFAOYSA-N 0 0 392.415 3.204 20 30 GGEDRN C[C@@H](CC#N)OC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000113691704 1412333831 /nfs/dbraw/zinc/33/38/31/1412333831.db2.gz KDVFDILMEGOFBG-ZDUSSCGKSA-N 0 0 381.388 3.351 20 30 GGEDRN Cc1cc(C(=O)O[C@H](C)CC#N)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000113689809 1412333915 /nfs/dbraw/zinc/33/39/15/1412333915.db2.gz BZWDJFGSJWCBNK-OAHLLOKOSA-N 0 0 378.494 3.183 20 30 GGEDRN Cc1ccc(S(=O)(=O)N(CCC(=O)O[C@@H](C)CC#N)c2ccccc2)cc1 ZINC000113691638 1412333944 /nfs/dbraw/zinc/33/39/44/1412333944.db2.gz FCCOKDNMSOLDSS-KRWDZBQOSA-N 0 0 386.473 3.426 20 30 GGEDRN CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)O[C@@H](C)CC#N ZINC000113690994 1412333958 /nfs/dbraw/zinc/33/39/58/1412333958.db2.gz RAOPGXQOXVXANQ-WFASDCNBSA-N 0 0 396.285 3.262 20 30 GGEDRN CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)O[C@@H](C)CC#N ZINC000113691287 1412334013 /nfs/dbraw/zinc/33/40/13/1412334013.db2.gz GGNLMYIKEQVULS-SMDDNHRTSA-N 0 0 399.310 3.146 20 30 GGEDRN N#Cc1cccc(OCCCCc2nc(CC(=O)NC3CCCCC3)no2)c1 ZINC000113701637 1412334827 /nfs/dbraw/zinc/33/48/27/1412334827.db2.gz VQUDTHKABAKYAC-UHFFFAOYSA-N 0 0 382.464 3.334 20 30 GGEDRN C=CCc1cc(-c2nc(CC(=O)NC3CCCCC3)no2)cc(OC)c1OC ZINC000113701536 1412335065 /nfs/dbraw/zinc/33/50/65/1412335065.db2.gz SJKXDBOIOYOOGL-UHFFFAOYSA-N 0 0 385.464 3.474 20 30 GGEDRN N#Cc1ccc(NCc2nc(-c3cccc(CN4CCOCC4)c3)no2)cc1 ZINC000113722391 1412337753 /nfs/dbraw/zinc/33/77/53/1412337753.db2.gz HDCCKRBQZQQXCI-UHFFFAOYSA-N 0 0 375.432 3.053 20 30 GGEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(C3CCOCC3)no2)CC1 ZINC000113749059 1412340065 /nfs/dbraw/zinc/34/00/65/1412340065.db2.gz AIVKXCYFQUVVBA-UHFFFAOYSA-N 0 0 395.419 3.467 20 30 GGEDRN N#Cc1ccc(OCc2ccc(-c3nc(CC(=O)NC4CCCC4)no3)o2)cc1 ZINC000113765434 1412341944 /nfs/dbraw/zinc/34/19/44/1412341944.db2.gz HGLWSDLXSQMBPY-UHFFFAOYSA-N 0 0 392.415 3.382 20 30 GGEDRN Cc1ccc(Cl)cc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000113783631 1412342710 /nfs/dbraw/zinc/34/27/10/1412342710.db2.gz VIJHLQHFYVJOKJ-MRXNPFEDSA-N 0 0 396.834 3.364 20 30 GGEDRN Cc1ccc(C)c(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 ZINC000113779060 1412342762 /nfs/dbraw/zinc/34/27/62/1412342762.db2.gz GJTNSRDKYBJHLQ-QGZVFWFLSA-N 0 0 376.416 3.019 20 30 GGEDRN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)NC(N)=O)n2)o1 ZINC000113778785 1412342770 /nfs/dbraw/zinc/34/27/70/1412342770.db2.gz ZHDPNPUDSPUUKS-QMMMGPOBSA-N 0 0 398.366 3.216 20 30 GGEDRN Cc1cccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1C ZINC000113779852 1412342827 /nfs/dbraw/zinc/34/28/27/1412342827.db2.gz XGIKTAOWZQCLRF-GOSISDBHSA-N 0 0 376.416 3.019 20 30 GGEDRN Cc1c(Cl)cccc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000113780705 1412342892 /nfs/dbraw/zinc/34/28/92/1412342892.db2.gz RFPBVJBANDLFGO-QGZVFWFLSA-N 0 0 396.834 3.364 20 30 GGEDRN CCc1cccc(C)c1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000113780119 1412342945 /nfs/dbraw/zinc/34/29/45/1412342945.db2.gz PRFXUJUUTKWDQN-SFHVURJKSA-N 0 0 390.443 3.273 20 30 GGEDRN CC(C)CCC[C@@H](C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000113781852 1412342991 /nfs/dbraw/zinc/34/29/91/1412342991.db2.gz MHKWLMXLGPKFOY-QAPCUYQASA-N 0 0 384.480 3.094 20 30 GGEDRN CCCc1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 ZINC000113788528 1412343432 /nfs/dbraw/zinc/34/34/32/1412343432.db2.gz JURXCXSWNIRNDJ-LJQANCHMSA-N 0 0 390.443 3.354 20 30 GGEDRN CC(C)[C@@H]1CCC[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000113814340 1412343949 /nfs/dbraw/zinc/34/39/49/1412343949.db2.gz LERHLUMDAIMKPM-ZIFCJYIRSA-N 0 0 396.491 3.094 20 30 GGEDRN N#CC1(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCCCC1 ZINC000113851618 1412345435 /nfs/dbraw/zinc/34/54/35/1412345435.db2.gz YJJLNFDKMDIGHK-HNNXBMFYSA-N 0 0 379.382 3.401 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cnc(-c3ncccn3)s2)c1 ZINC000113852618 1412345500 /nfs/dbraw/zinc/34/55/00/1412345500.db2.gz CZTQLXPIYDZAPR-AWEZNQCLSA-N 0 0 379.445 3.211 20 30 GGEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2COc3ccc(OC)cc3C2)c1 ZINC000113853748 1412345923 /nfs/dbraw/zinc/34/59/23/1412345923.db2.gz SPDUVPMTUNWMFJ-ZWKOTPCHSA-N 0 0 380.444 3.244 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H]2COc3ccc(OC)cc3C2)c1 ZINC000113853746 1412346021 /nfs/dbraw/zinc/34/60/21/1412346021.db2.gz SPDUVPMTUNWMFJ-ROUUACIJSA-N 0 0 380.444 3.244 20 30 GGEDRN C[C@@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000113903428 1412348481 /nfs/dbraw/zinc/34/84/81/1412348481.db2.gz KIYHUPWIRCQHPD-MRXNPFEDSA-N 0 0 399.454 3.495 20 30 GGEDRN N#Cc1ccc(NCC(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1 ZINC000113911059 1412350418 /nfs/dbraw/zinc/35/04/18/1412350418.db2.gz AHPMJKCZTSPZTM-UHFFFAOYSA-N 0 0 397.438 3.207 20 30 GGEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](C)NC(=O)CC2CCCCC2)c1 ZINC000113919306 1412352330 /nfs/dbraw/zinc/35/23/30/1412352330.db2.gz VPKPTIODYZLAAC-QFBILLFUSA-N 0 0 385.508 3.459 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)CNC(=O)CCc2ccc(C)cc2)c1 ZINC000113919397 1412352483 /nfs/dbraw/zinc/35/24/83/1412352483.db2.gz HASCMJGXFBAZJE-FQEVSTJZSA-N 0 0 393.487 3.041 20 30 GGEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000113919411 1412352519 /nfs/dbraw/zinc/35/25/19/1412352519.db2.gz HGSATOOEMGHZPE-FKPGQJDZSA-N 0 0 387.524 3.118 20 30 GGEDRN COc1cc(C)c(CN(C)S(=O)(=O)c2cccc(Cl)c2C#N)cc1OC ZINC000113943750 1412357303 /nfs/dbraw/zinc/35/73/03/1412357303.db2.gz LRNOCPPGOHIPMP-UHFFFAOYSA-N 0 0 394.880 3.358 20 30 GGEDRN CCN(C)C(=O)c1cccc(OS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000113947798 1412357967 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GGEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCn1cccn1 ZINC000114906254 1412545494 /nfs/dbraw/zinc/54/54/94/1412545494.db2.gz VCIMXFUNHFOHDE-UHFFFAOYSA-N 0 0 375.432 3.464 20 30 GGEDRN CNC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000114906694 1412545660 /nfs/dbraw/zinc/54/56/60/1412545660.db2.gz XSKGVWIFXFDXDN-MRXNPFEDSA-N 0 0 378.432 3.340 20 30 GGEDRN N#Cc1ccc(F)cc1CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000177259084 1428657514 /nfs/dbraw/zinc/65/75/14/1428657514.db2.gz YSGLLCUIEOFAGV-UHFFFAOYSA-N 0 0 381.407 3.277 20 30 GGEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCCc2cnn(C)c2)cc1C ZINC000114986159 1412560184 /nfs/dbraw/zinc/56/01/84/1412560184.db2.gz AIGUOVSIUNREHV-UHFFFAOYSA-N 0 0 377.448 3.214 20 30 GGEDRN CC(=O)N(c1nc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cs1)C1CC1 ZINC000114991002 1412562395 /nfs/dbraw/zinc/56/23/95/1412562395.db2.gz WBORMTAMUBXDDO-RUDMXATFSA-N 0 0 397.500 3.391 20 30 GGEDRN N#Cc1cccc(OCc2cccc(C(=O)NCc3ccc(C(N)=O)cc3)c2)c1 ZINC000115007069 1412565594 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CC[C@@H](C)NC(=O)CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115039180 1412575092 /nfs/dbraw/zinc/57/50/92/1412575092.db2.gz IGWVRQPIZRWCOO-MRXNPFEDSA-N 0 0 379.460 3.172 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)c2sc(-c3cnn(C)c3)nc2C)cc1 ZINC000115037552 1412575193 /nfs/dbraw/zinc/57/51/93/1412575193.db2.gz LKIWLICHKKTUFB-UHFFFAOYSA-N 0 0 381.461 3.020 20 30 GGEDRN CCCN(CC(=O)N(C)C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115039247 1412575558 /nfs/dbraw/zinc/57/55/58/1412575558.db2.gz JKUOVXLXMJYEDQ-UHFFFAOYSA-N 0 0 379.460 3.078 20 30 GGEDRN CCCCNC(=O)[C@H]1CC[C@H](C)N(CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177265236 1428661338 /nfs/dbraw/zinc/66/13/38/1428661338.db2.gz VPHJSCWDHUSLHV-BBRMVZONSA-N 0 0 390.553 3.192 20 30 GGEDRN N#Cc1ccc(OCc2cccc(C(=O)Nc3cccnc3-n3cncn3)c2)cc1 ZINC000115046164 1412577501 /nfs/dbraw/zinc/57/75/01/1412577501.db2.gz MEMZZHQXEVZJTO-UHFFFAOYSA-N 0 0 396.410 3.365 20 30 GGEDRN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115046486 1412578359 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HKJVRZZPWSTSJH-KRWDZBQOSA-N 0 0 398.406 3.369 20 30 GGEDRN C=CCN(C)C(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@H](C)C2 ZINC000121420363 1414115748 /nfs/dbraw/zinc/11/57/48/1414115748.db2.gz AIBJMNNRFZJOPO-LBPRGKRZSA-N 0 0 378.494 3.021 20 30 GGEDRN C=CCN(C)C(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2 ZINC000121420216 1414115924 /nfs/dbraw/zinc/11/59/24/1414115924.db2.gz AIBJMNNRFZJOPO-GFCCVEGCSA-N 0 0 378.494 3.021 20 30 GGEDRN C#Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(N3CCOC3=O)cc2)c1 ZINC000121420876 1414116585 /nfs/dbraw/zinc/11/65/85/1414116585.db2.gz ZYBUCOVKXXHWLD-UHFFFAOYSA-N 0 0 384.457 3.228 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc[nH]2)c(C(F)(F)F)c1 ZINC000121430296 1414119790 /nfs/dbraw/zinc/11/97/90/1414119790.db2.gz DRLQTTWVPWFEPO-CYBMUJFWSA-N 0 0 384.383 3.216 20 30 GGEDRN COc1ccc(CNC(=O)[C@@H](C#N)C(=O)Cn2ccc3ccc(Cl)cc32)cc1 ZINC000121433214 1414121029 /nfs/dbraw/zinc/12/10/29/1414121029.db2.gz WMZNLLZLRGAXCO-SFHVURJKSA-N 0 0 395.846 3.329 20 30 GGEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000121434744 1414121447 /nfs/dbraw/zinc/12/14/47/1414121447.db2.gz ASXRFUGOWLGIFC-UONOGXRCSA-N 0 0 386.414 3.109 20 30 GGEDRN C=C(Br)CNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000121435146 1414121670 /nfs/dbraw/zinc/12/16/70/1414121670.db2.gz GJHQNDGVWVIVAD-VXGBXAGGSA-N 0 0 376.295 3.030 20 30 GGEDRN C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000121445821 1414124937 /nfs/dbraw/zinc/12/49/37/1414124937.db2.gz ZFZPQMYRWZLXCX-CQSZACIVSA-N 0 0 390.468 3.363 20 30 GGEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000121447468 1414125590 /nfs/dbraw/zinc/12/55/90/1414125590.db2.gz RDISJJXUYABAOL-UHFFFAOYSA-N 0 0 396.409 3.497 20 30 GGEDRN CS(=O)(=O)c1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 ZINC000121453011 1414130440 /nfs/dbraw/zinc/13/04/40/1414130440.db2.gz VRYFTHZRMGXKRT-UHFFFAOYSA-N 0 0 397.481 3.261 20 30 GGEDRN C#CCSCCNC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000121456473 1414132306 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GGEDRN CCCc1n[nH]c(=S)n1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000121466536 1414137192 /nfs/dbraw/zinc/13/71/92/1414137192.db2.gz OQBZZKPELGKCBZ-UHFFFAOYSA-N 0 0 398.517 3.451 20 30 GGEDRN CCOC(=O)C(C)(C)n1cc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cn1 ZINC000121468048 1414137581 /nfs/dbraw/zinc/13/75/81/1414137581.db2.gz KMFRRPVBQBKLHG-KRWDZBQOSA-N 0 0 383.452 3.348 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)Nc2ccc(OC3CCCC3)c(F)c2)n1 ZINC000121469177 1414138762 /nfs/dbraw/zinc/13/87/62/1414138762.db2.gz MFWKTVUBCWPKTD-UHFFFAOYSA-N 0 0 399.426 3.373 20 30 GGEDRN Cc1cc(C[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2F)n(-c2ccccc2)n1 ZINC000121480244 1414142949 /nfs/dbraw/zinc/14/29/49/1414142949.db2.gz LVNHFWUEVNSMTP-HNNXBMFYSA-N 0 0 398.463 3.101 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(CC(F)(F)F)C1CCCC1 ZINC000177533927 1428784213 /nfs/dbraw/zinc/78/42/13/1428784213.db2.gz MFUOAZMMXUEYRV-UHFFFAOYSA-N 0 0 393.413 3.484 20 30 GGEDRN O=C(Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1)N1CCSCC1 ZINC000121490345 1414147223 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GGEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2cccnc2)nc1 ZINC000121535850 1414167308 /nfs/dbraw/zinc/16/73/08/1414167308.db2.gz SZFPJULDQHDAKD-UHFFFAOYSA-N 0 0 388.427 3.422 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)CCOc3ccccc3F)CC2)nc1 ZINC000121538326 1414167753 /nfs/dbraw/zinc/16/77/53/1414167753.db2.gz KTMNIKADRBOUNW-UHFFFAOYSA-N 0 0 383.423 3.368 20 30 GGEDRN Cc1ccc(C(=O)NC2CC2)cc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000121542150 1414169152 /nfs/dbraw/zinc/16/91/52/1414169152.db2.gz FWFUUCRCBBYYPZ-UHFFFAOYSA-N 0 0 389.864 3.213 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)c2cccc(Nc3cnn(C)c3)c2)cc1 ZINC000121541502 1414169611 /nfs/dbraw/zinc/16/96/11/1414169611.db2.gz XSBYOHAIVRIEGF-UHFFFAOYSA-N 0 0 375.432 3.332 20 30 GGEDRN O=C(Nc1ccc(F)c(C(F)(F)F)c1)N(CCO)CCOCC(F)(F)F ZINC000177541205 1428786218 /nfs/dbraw/zinc/78/62/18/1428786218.db2.gz XIPINHGQQGWTLN-UHFFFAOYSA-N 0 0 392.271 3.250 20 30 GGEDRN CCNS(=O)(=O)c1ccc(C/N=C/c2cc(Br)ccc2O)cc1 ZINC000121546275 1414171636 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MPITVGHXWAQNMJ-CYBMUJFWSA-N 0 0 377.429 3.494 20 30 GGEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)c2csc(Cc3ccccc3)n2)c1 ZINC000122140717 1414371663 /nfs/dbraw/zinc/37/16/63/1414371663.db2.gz VDYODNIVHGXXEI-UHFFFAOYSA-N 0 0 389.480 3.108 20 30 GGEDRN COc1ccc2[nH]cc(CC(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)c2c1 ZINC000122143118 1414372354 /nfs/dbraw/zinc/37/23/54/1414372354.db2.gz XWTTVZPVGJCVRD-QFIPXVFZSA-N 0 0 388.471 3.128 20 30 GGEDRN CC1=NN(c2ccc(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)cc2)CC1 ZINC000122142755 1414372462 /nfs/dbraw/zinc/37/24/62/1414372462.db2.gz WXOFLQIUVVIOAD-QFIPXVFZSA-N 0 0 387.487 3.295 20 30 GGEDRN COc1cccc(CO[C@@H](C)C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000122146960 1414373373 /nfs/dbraw/zinc/37/33/73/1414373373.db2.gz JRWYCRMUUWJWMR-PGRDOPGGSA-N 0 0 393.487 3.009 20 30 GGEDRN COc1cccc(CO[C@H](C)C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000122147159 1414373867 /nfs/dbraw/zinc/37/38/67/1414373867.db2.gz JRWYCRMUUWJWMR-XMSQKQJNSA-N 0 0 393.487 3.009 20 30 GGEDRN 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GGEDRN CCn1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccccn1 ZINC000123623292 1414798973 /nfs/dbraw/zinc/79/89/73/1414798973.db2.gz ROOIFHIKANLJED-UHFFFAOYSA-N 0 0 378.461 3.157 20 30 GGEDRN N#Cc1cccc(CNC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 ZINC000123630819 1414800840 /nfs/dbraw/zinc/80/08/40/1414800840.db2.gz LQMUTXFONBEPTF-UHFFFAOYSA-N 0 0 381.391 3.289 20 30 GGEDRN CN(CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCSC1 ZINC000123639276 1414802281 /nfs/dbraw/zinc/80/22/81/1414802281.db2.gz CUFSRSPATJLUPN-NEPJUHHUSA-N 0 0 386.304 3.078 20 30 GGEDRN COc1ccc(C[C@H](C)CNC(=O)Cc2ccc(OCC#N)cc2)cc1OC ZINC000123664205 1414806146 /nfs/dbraw/zinc/80/61/46/1414806146.db2.gz STHOYNGCSVGBIM-INIZCTEOSA-N 0 0 382.460 3.144 20 30 GGEDRN Cc1n[nH]c(C)c1/C=C1/COc2c(cc(Br)cc2[N+](=O)[O-])C1=O ZINC000123672241 1414807234 /nfs/dbraw/zinc/80/72/34/1414807234.db2.gz LWQSNSIFYNCZPD-OQFOIZHKSA-N 0 0 378.182 3.356 20 30 GGEDRN COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000123673412 1414807530 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385.464 3.183 20 30 GGEDRN CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(C#N)ccc3Cl)cc2C[C@@H]1C ZINC000123718752 1414814992 /nfs/dbraw/zinc/81/49/92/1414814992.db2.gz JWLWSKZOUBZHTD-NSHDSACASA-N 0 0 389.864 3.310 20 30 GGEDRN CC[C@@H](C#N)NC(=O)c1cccnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000123739118 1414818520 /nfs/dbraw/zinc/81/85/20/1414818520.db2.gz BTYAFQBZCDJIJN-SFHVURJKSA-N 0 0 397.910 3.089 20 30 GGEDRN N#C[C@@H](COC(=O)CCc1nc(-c2ccccn2)no1)Cc1ccc(F)cc1 ZINC000123753693 1414820574 /nfs/dbraw/zinc/82/05/74/1414820574.db2.gz PMWNLDDZGDDUDH-HNNXBMFYSA-N 0 0 380.379 3.129 20 30 GGEDRN C#CCOc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000123765874 1414821674 /nfs/dbraw/zinc/82/16/74/1414821674.db2.gz GLCYYHQFVZVYOV-HXUWFJFHSA-N 0 0 377.444 3.011 20 30 GGEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CCC[C@H](O)C2)cc1C ZINC000123798570 1414825854 /nfs/dbraw/zinc/82/58/54/1414825854.db2.gz GNMNVNXLRWRCMP-HKUYNNGSSA-N 0 0 380.492 3.362 20 30 GGEDRN C=CCn1c(SCCOC[C@H]2CCCO2)nnc1-c1ccccc1OC ZINC000123807443 1414827740 /nfs/dbraw/zinc/82/77/40/1414827740.db2.gz SRFIJRUXKDWQDB-OAHLLOKOSA-N 0 0 375.494 3.427 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)c2c(F)cc(Br)cc2F)c1 ZINC000123814021 1414828072 /nfs/dbraw/zinc/82/80/72/1414828072.db2.gz IUANEMAQWOXXLR-UHFFFAOYSA-N 0 0 393.187 3.077 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)c2cnc(Cc3ccccc3)s2)c1 ZINC000123814561 1414828461 /nfs/dbraw/zinc/82/84/61/1414828461.db2.gz BXZCXIVHLACXNU-UHFFFAOYSA-N 0 0 375.453 3.084 20 30 GGEDRN N#Cc1ccccc1OCc1ccc(C(=O)N2CCCC[C@H]2c2ncon2)o1 ZINC000123831089 1414830932 /nfs/dbraw/zinc/83/09/32/1414830932.db2.gz QOBUHCZJPVDPAD-INIZCTEOSA-N 0 0 378.388 3.481 20 30 GGEDRN CC[C@H](C#N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1 ZINC000123837997 1414832356 /nfs/dbraw/zinc/83/23/56/1414832356.db2.gz JCRBQGHLBUNROA-XLIONFOSSA-N 0 0 392.434 3.066 20 30 GGEDRN CC[C@@H](C#N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1 ZINC000123837344 1414832438 /nfs/dbraw/zinc/83/24/38/1414832438.db2.gz JCRBQGHLBUNROA-FXAWDEMLSA-N 0 0 392.434 3.066 20 30 GGEDRN Cc1cc(C(=O)N2CCOCC2)ccc1NCCCOc1cccc(C#N)c1 ZINC000123841375 1414832925 /nfs/dbraw/zinc/83/29/25/1414832925.db2.gz NAQFIWDQTHHLGG-UHFFFAOYSA-N 0 0 379.460 3.220 20 30 GGEDRN N#Cc1ccc(OC2CCC(NS(=O)(=O)c3cc4ccccc4o3)CC2)nc1 ZINC000123874553 1414840114 /nfs/dbraw/zinc/84/01/14/1414840114.db2.gz BXJMYKJTFPPKIA-UHFFFAOYSA-N 0 0 397.456 3.368 20 30 GGEDRN COC[C@H](C)n1c(C)cc(C(=O)CSc2nc(N)c(C#N)cc2C#N)c1C ZINC000123885083 1414842519 /nfs/dbraw/zinc/84/25/19/1414842519.db2.gz GFSSNKWILVASBL-LBPRGKRZSA-N 0 0 383.477 3.008 20 30 GGEDRN C[C@H](NS(=O)(=O)c1ccccc1C#N)c1nc(-c2ccc(Cl)cc2)no1 ZINC000123893262 1414844568 /nfs/dbraw/zinc/84/45/68/1414844568.db2.gz UBSYLIZQTBMEQT-NSHDSACASA-N 0 0 388.836 3.301 20 30 GGEDRN N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(C(N)=O)nc2)cc1 ZINC000123902213 1414846266 /nfs/dbraw/zinc/84/62/66/1414846266.db2.gz XMIKAKVQXKPQTO-UHFFFAOYSA-N 0 0 386.411 3.078 20 30 GGEDRN N#CCN1CCC(CNC(=O)CN(Cc2ccccc2)c2ccccc2)CC1 ZINC000123910248 1414847826 /nfs/dbraw/zinc/84/78/26/1414847826.db2.gz WZQSFLFKCQDYOA-UHFFFAOYSA-N 0 0 376.504 3.045 20 30 GGEDRN N#Cc1ccccc1N1CCCN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000123924786 1414850552 /nfs/dbraw/zinc/85/05/52/1414850552.db2.gz GMWBNHSKCHAJBR-QFIPXVFZSA-N 0 0 392.478 3.229 20 30 GGEDRN CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCCN(c2ccccc2C#N)CC1 ZINC000123923813 1414850573 /nfs/dbraw/zinc/85/05/73/1414850573.db2.gz AAXGVAQPUUAVKF-QGZVFWFLSA-N 0 0 390.487 3.300 20 30 GGEDRN Cc1oc(NC(=O)[C@H](C)N2CCCN(c3ccccc3C#N)CC2)c(C#N)c1C ZINC000123925742 1414851158 /nfs/dbraw/zinc/85/11/58/1414851158.db2.gz CHYLHPOGNCXILT-INIZCTEOSA-N 0 0 391.475 3.179 20 30 GGEDRN CO[C@@](C)(C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccccc1 ZINC000123935364 1414852749 /nfs/dbraw/zinc/85/27/49/1414852749.db2.gz ITJCDJHKZQQGHS-JOCHJYFZSA-N 0 0 379.460 3.020 20 30 GGEDRN N#CC1CCN(C(=O)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 ZINC000123939115 1414853775 /nfs/dbraw/zinc/85/37/75/1414853775.db2.gz BGPATZBEDAFTKP-UHFFFAOYSA-N 0 0 388.880 3.088 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccc[nH]2)cc1F ZINC000123941630 1414854153 /nfs/dbraw/zinc/85/41/53/1414854153.db2.gz MWRPGLRYYKMGGH-UHFFFAOYSA-N 0 0 378.363 3.073 20 30 GGEDRN CCN(CCC#N)C(=O)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000123944557 1414854806 /nfs/dbraw/zinc/85/48/06/1414854806.db2.gz GHQOCPVJEUZGQB-UHFFFAOYSA-N 0 0 386.839 3.015 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000123952515 1414856518 /nfs/dbraw/zinc/85/65/18/1414856518.db2.gz PRVUAJGYJKGSMK-FQEVSTJZSA-N 0 0 385.508 3.326 20 30 GGEDRN N#Cc1ccc(NC(=O)NCc2ccccc2CN2CCOCC2)cc1Cl ZINC000123956566 1414857004 /nfs/dbraw/zinc/85/70/04/1414857004.db2.gz LEDGTBXOXVUBSN-UHFFFAOYSA-N 0 0 384.867 3.366 20 30 GGEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000123955199 1414857032 /nfs/dbraw/zinc/85/70/32/1414857032.db2.gz OMMWVBDRWPVAMA-UHFFFAOYSA-N 0 0 379.342 3.065 20 30 GGEDRN CCn1c(S[C@H](C(N)=O)c2ccc(C#N)cc2)nnc1-c1ccc(C)cc1 ZINC000123962094 1414857460 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3.341 20 30 GGEDRN COC(=O)C(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(Cl)s1 ZINC000123986726 1414863460 /nfs/dbraw/zinc/86/34/60/1414863460.db2.gz JIVYCARBDZFLFZ-AWEZNQCLSA-N 0 0 392.889 3.074 20 30 GGEDRN C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C)nnc1-c1cnccn1 ZINC000123987807 1414863543 /nfs/dbraw/zinc/86/35/43/1414863543.db2.gz OCLGXIBRMMMROM-CQSZACIVSA-N 0 0 380.477 3.349 20 30 GGEDRN C=CCn1c(S[C@H](C(=O)OC)c2ccccc2F)nnc1-c1cnccn1 ZINC000123995687 1414865775 /nfs/dbraw/zinc/86/57/75/1414865775.db2.gz HUBAYQHPSKORDM-HNNXBMFYSA-N 0 0 385.424 3.067 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]1CC(=O)c1ccccc1 ZINC000124002991 1414866865 /nfs/dbraw/zinc/86/68/65/1414866865.db2.gz LPDSOYKUAGFZDJ-SFHVURJKSA-N 0 0 378.428 3.210 20 30 GGEDRN CC[C@H](C)CSCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000124011912 1414868369 /nfs/dbraw/zinc/86/83/69/1414868369.db2.gz GQQCBVLWUHZPJQ-AWEZNQCLSA-N 0 0 388.493 3.234 20 30 GGEDRN CC[C@@H](C)CSCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000124011661 1414868525 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CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000124026437 1414872038 /nfs/dbraw/zinc/87/20/38/1414872038.db2.gz KCLNEXVUGDAIFW-SFHVURJKSA-N 0 0 393.491 3.396 20 30 GGEDRN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(NC(=O)N(C)C)c2)cc1 ZINC000124030688 1414872471 /nfs/dbraw/zinc/87/24/71/1414872471.db2.gz QCIANDHYPSHVHE-SFHVURJKSA-N 0 0 378.432 3.304 20 30 GGEDRN C=CCn1c(S[C@H](C(=O)NC2CCCC2)C(C)C)nnc1-c1cnccn1 ZINC000124030054 1414872611 /nfs/dbraw/zinc/87/26/11/1414872611.db2.gz SNTRQGQUVGHIBN-INIZCTEOSA-N 0 0 386.525 3.097 20 30 GGEDRN C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2ccccc2)nnc1-c1cnccn1 ZINC000124035252 1414873819 /nfs/dbraw/zinc/87/38/19/1414873819.db2.gz SKDLVTGETVVQMJ-HNNXBMFYSA-N 0 0 394.504 3.060 20 30 GGEDRN CCN(CCC#N)C(=O)C(=O)Nc1cc(-c2ccco2)nn1-c1ccc(C)cc1 ZINC000124059541 1414878200 /nfs/dbraw/zinc/87/82/00/1414878200.db2.gz FTXLIXTVAGGYII-UHFFFAOYSA-N 0 0 391.431 3.141 20 30 GGEDRN N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccnc(-n2cccn2)c1 ZINC000124072550 1414880332 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GGEDRN C=CCNc1nnc(SCC(=O)Nc2ccc(N3CCCCC3)nc2)s1 ZINC000124746769 1415035115 /nfs/dbraw/zinc/03/51/15/1415035115.db2.gz BGFJSVIDLKLLDT-UHFFFAOYSA-N 0 0 390.538 3.252 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000124764082 1415039184 /nfs/dbraw/zinc/03/91/84/1415039184.db2.gz ZTQCWZLBQCCYCS-JOCHJYFZSA-N 0 0 377.488 3.198 20 30 GGEDRN N#Cc1ccc(C(=O)NCC(=O)N(Cc2ccco2)Cc2cccs2)cc1 ZINC000124794845 1415045488 /nfs/dbraw/zinc/04/54/88/1415045488.db2.gz HOLQMASRDMQXJB-UHFFFAOYSA-N 0 0 379.441 3.172 20 30 GGEDRN Cc1c2ccccc2oc1[C@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)C(C)C ZINC000124795145 1415046224 /nfs/dbraw/zinc/04/62/24/1415046224.db2.gz MYJHDZLYUWIFHA-GOSISDBHSA-N 0 0 393.447 3.303 20 30 GGEDRN N#Cc1ccc(F)cc1CN1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000124798298 1415046622 /nfs/dbraw/zinc/04/66/22/1415046622.db2.gz JMTUHDDFIVMUTD-KRWDZBQOSA-N 0 0 377.341 3.389 20 30 GGEDRN C#CCCN1CCN(C(=O)c2cccc3c2CCCN3C(=O)OC(C)(C)C)CC1 ZINC000124802008 1415047062 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20 30 GGEDRN COc1ccc(F)cc1C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000124837220 1415055583 /nfs/dbraw/zinc/05/55/83/1415055583.db2.gz ZYRMSRHOQAIJPZ-UHFFFAOYSA-N 0 0 390.418 3.217 20 30 GGEDRN C=CCn1c(-c2cnccn2)nn(CN2CCc3cccc(F)c3C2)c1=S ZINC000124836634 1415055897 /nfs/dbraw/zinc/05/58/97/1415055897.db2.gz PSIQOZZEBCNUGM-UHFFFAOYSA-N 0 0 382.468 3.212 20 30 GGEDRN CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2sccc2C#N)c1 ZINC000124841110 1415056768 /nfs/dbraw/zinc/05/67/68/1415056768.db2.gz HCIZMSCXOKUPJJ-ZDUSSCGKSA-N 0 0 391.518 3.480 20 30 GGEDRN COc1ccc(C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1F ZINC000124846060 1415057721 /nfs/dbraw/zinc/05/77/21/1415057721.db2.gz YOFPPIPNMHVFPG-UHFFFAOYSA-N 0 0 390.418 3.217 20 30 GGEDRN CCS(=O)(=O)Nc1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1C ZINC000124850156 1415059097 /nfs/dbraw/zinc/05/90/97/1415059097.db2.gz OXGXUTJROAKPJH-UHFFFAOYSA-N 0 0 390.465 3.297 20 30 GGEDRN COc1ccc([C@@H]2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C2)cc1 ZINC000124853233 1415059766 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GGEDRN CC(C)S(=O)(=O)c1ccccc1NC(=O)N(CCC#N)Cc1ccco1 ZINC000124884384 1415066584 /nfs/dbraw/zinc/06/65/84/1415066584.db2.gz OOWQKVMDNCCEEK-UHFFFAOYSA-N 0 0 375.450 3.409 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)CNc2ccccc2C(=O)N(C)C)c1C ZINC000124897183 1415068686 /nfs/dbraw/zinc/06/86/86/1415068686.db2.gz DGAGHXHAJSLAHL-UHFFFAOYSA-N 0 0 378.476 3.364 20 30 GGEDRN N#Cc1ccccc1COc1cccc(C(=O)NCCCOC[C@@H]2CCOC2)c1 ZINC000124897601 1415068751 /nfs/dbraw/zinc/06/87/51/1415068751.db2.gz OVCNDVRCRVLQLW-SFHVURJKSA-N 0 0 394.471 3.310 20 30 GGEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)CSc2nc3ccccc3s2)c1 ZINC000124895033 1415068891 /nfs/dbraw/zinc/06/88/91/1415068891.db2.gz YTMYGCDCVOXCKP-UHFFFAOYSA-N 0 0 395.509 3.149 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)c3cc(C4CCCCC4)n[nH]3)CC2)c(F)c1 ZINC000124906762 1415070246 /nfs/dbraw/zinc/07/02/46/1415070246.db2.gz ZICPCRBFJDPEEN-UHFFFAOYSA-N 0 0 381.455 3.431 20 30 GGEDRN COc1cc(S(=O)(=O)N(CCC#N)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000124912747 1415071511 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RRWXCTCZQPUQOH-ZDUSSCGKSA-N 0 0 381.436 3.194 20 30 GGEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000125899052 1415307934 /nfs/dbraw/zinc/30/79/34/1415307934.db2.gz HWLBLXWKOPPDPM-OAHLLOKOSA-N 0 0 381.407 3.321 20 30 GGEDRN CCn1c(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)nnc1-c1ccncc1 ZINC000125910940 1415310613 /nfs/dbraw/zinc/31/06/13/1415310613.db2.gz QCHAGBCGPCLVGP-QGZVFWFLSA-N 0 0 390.472 3.129 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)c1C#N ZINC000177946942 1428897995 /nfs/dbraw/zinc/89/79/95/1428897995.db2.gz PSFSODNYNGXMJS-ZDUSSCGKSA-N 0 0 381.436 3.113 20 30 GGEDRN N#CCOc1ccc(CNC(=O)NCCOc2ncc(Cl)cc2Cl)cc1 ZINC000177948888 1428898239 /nfs/dbraw/zinc/89/82/39/1428898239.db2.gz GKFHZIMJTQIPRE-UHFFFAOYSA-N 0 0 395.246 3.169 20 30 GGEDRN N#Cc1ccc(N2CC[C@H](Sc3n[nH]c(-c4ccccc4F)n3)C2=O)cc1 ZINC000125917611 1415312211 /nfs/dbraw/zinc/31/22/11/1415312211.db2.gz ALNGTODMMQZKTN-INIZCTEOSA-N 0 0 379.420 3.380 20 30 GGEDRN 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COc1ccc(NC(=O)c2ccccc2NCC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000125952409 1415321278 /nfs/dbraw/zinc/32/12/78/1415321278.db2.gz ZLTQZPYSXWLXRT-QFIPXVFZSA-N 0 0 394.475 3.414 20 30 GGEDRN N#Cc1ncn(CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)c1C#N ZINC000125953736 1415321637 /nfs/dbraw/zinc/32/16/37/1415321637.db2.gz KLWAKNDMMQMIKR-SFHVURJKSA-N 0 0 394.438 3.056 20 30 GGEDRN N#Cc1ncn(CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)c1C#N ZINC000125953519 1415321742 /nfs/dbraw/zinc/32/17/42/1415321742.db2.gz KLWAKNDMMQMIKR-GOSISDBHSA-N 0 0 394.438 3.056 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[C@@H](C)C2)cc1 ZINC000125966763 1415324541 /nfs/dbraw/zinc/32/45/41/1415324541.db2.gz PJVJLXOGGUWARR-HZPDHXFCSA-N 0 0 386.496 3.265 20 30 GGEDRN COc1ccc(-c2nc(S[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)n[nH]2)cc1 ZINC000125978082 1415327949 /nfs/dbraw/zinc/32/79/49/1415327949.db2.gz XYJLIKZSASDEDQ-QGZVFWFLSA-N 0 0 391.456 3.250 20 30 GGEDRN C[C@@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000125978130 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378.325 3.259 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@H](c3ccccc3)C2)c1 ZINC000126005036 1415334368 /nfs/dbraw/zinc/33/43/68/1415334368.db2.gz FOLDOPQWXOKWOB-SFHVURJKSA-N 0 0 377.444 3.324 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)CNc2ccc3oc(=O)n(C)c3c2)cc1C ZINC000126008118 1415334977 /nfs/dbraw/zinc/33/49/77/1415334977.db2.gz BHAGGEPGKVJPNE-UHFFFAOYSA-N 0 0 378.432 3.107 20 30 GGEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000177962674 1428903409 /nfs/dbraw/zinc/90/34/09/1428903409.db2.gz XCIFRLWSNDWYPU-UHFFFAOYSA-N 0 0 386.373 3.301 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)CNc2ccc3oc(=O)n(C)c3c2)c1C ZINC000126010318 1415335270 /nfs/dbraw/zinc/33/52/70/1415335270.db2.gz OUGUHEINZSPVBQ-UHFFFAOYSA-N 0 0 378.432 3.107 20 30 GGEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CNc2ccc3oc(=O)n(C)c3c2)c1 ZINC000126008655 1415335568 /nfs/dbraw/zinc/33/55/68/1415335568.db2.gz YDFIQVBEZXUIBX-UHFFFAOYSA-N 0 0 378.432 3.107 20 30 GGEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc2ncccc2c1 ZINC000177962206 1428903804 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/nfs/dbraw/zinc/80/80/53/1415808053.db2.gz VDAZZHOVFAVSIQ-MRXNPFEDSA-N 0 0 397.500 3.202 20 30 GGEDRN CCCS(=O)(=O)Nc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000127556321 1415809380 /nfs/dbraw/zinc/80/93/80/1415809380.db2.gz DUMRLHSHHBZUJM-UHFFFAOYSA-N 0 0 379.388 3.240 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)Oc1ccc(Br)c(C=O)c1 ZINC000178149888 1428999752 /nfs/dbraw/zinc/99/97/52/1428999752.db2.gz ASHWHABGVOIVSU-UHFFFAOYSA-N 0 0 380.219 3.209 20 30 GGEDRN CCCN(CC(=O)Nc1ccccc1C)C(=O)COc1ccc(C#N)cc1F ZINC000127576090 1415812652 /nfs/dbraw/zinc/81/26/52/1415812652.db2.gz YRAPSTOLOVUDRJ-UHFFFAOYSA-N 0 0 383.423 3.262 20 30 GGEDRN Cc1ccc(NC(=O)C(=O)Nc2ccc(C#N)cc2F)cc1OCC(F)F ZINC000127574568 1415812689 /nfs/dbraw/zinc/81/26/89/1415812689.db2.gz GKXPMQAESFBOLP-UHFFFAOYSA-N 0 0 377.322 3.227 20 30 GGEDRN C#CCOc1ccc(NC(=O)C(=O)Nc2ccc(C)c(OCC(F)F)c2)cc1 ZINC000127583489 1415814321 /nfs/dbraw/zinc/81/43/21/1415814321.db2.gz GTDPGVAASLAOIW-UHFFFAOYSA-N 0 0 388.370 3.228 20 30 GGEDRN CC(=O)N[C@H](CC(=O)[C@H](C#N)C(=O)Nc1cccc(C)c1)c1ccc(C)cc1 ZINC000127586663 1415814831 /nfs/dbraw/zinc/81/48/31/1415814831.db2.gz LAYIXIYOEDSXOA-VQTJNVASSA-N 0 0 377.444 3.218 20 30 GGEDRN CCOc1cc(CCCNC(=O)[C@H](C)Oc2ccc(C#N)cc2)ccc1OC ZINC000127590534 1415815327 /nfs/dbraw/zinc/81/53/27/1415815327.db2.gz OIRMMBIRYXPJRV-INIZCTEOSA-N 0 0 382.460 3.482 20 30 GGEDRN CSc1nc(C)c(CCC(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)c(C)n1 ZINC000127595974 1415816349 /nfs/dbraw/zinc/81/63/49/1415816349.db2.gz CSPVTYAOJGAPJA-QGZVFWFLSA-N 0 0 382.489 3.404 20 30 GGEDRN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1(C)C ZINC000127602409 1415817341 /nfs/dbraw/zinc/81/73/41/1415817341.db2.gz IFRKKBSBZKZXEG-QZTJIDSGSA-N 0 0 392.521 3.040 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N2CCC(OC3CCCCC3)CC2)ccc1Cl ZINC000127601740 1415817512 /nfs/dbraw/zinc/81/75/12/1415817512.db2.gz YCBCAVRCQCJSPF-UHFFFAOYSA-N 0 0 389.883 3.490 20 30 GGEDRN COC(=O)C1=C(C(C)=O)[C@H](c2ccc(-c3cccs3)cc2F)NC(=S)N1 ZINC000127607636 1415818714 /nfs/dbraw/zinc/81/87/14/1415818714.db2.gz NTAHREIWZOVZAB-HNNXBMFYSA-N 0 0 390.461 3.089 20 30 GGEDRN C=CCN(CC=C)C(=O)[C@@H](C)Oc1cc(Br)c(C=O)cc1OC ZINC000178153623 1429001221 /nfs/dbraw/zinc/00/12/21/1429001221.db2.gz BPEVEVFLFJSIKY-GFCCVEGCSA-N 0 0 382.254 3.238 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)NC2C[C@@H](C)O[C@H](C)C2)nnc1-c1ccco1 ZINC000127614588 1415820299 /nfs/dbraw/zinc/82/02/99/1415820299.db2.gz FXFPQGOYHWQIEI-ZIAGYGMSSA-N 0 0 390.509 3.279 20 30 GGEDRN C=CCOc1ccc(C(=O)N[C@@](C)(C(N)=O)c2cccc(Cl)c2)cc1OC ZINC000178156128 1429001819 /nfs/dbraw/zinc/00/18/19/1429001819.db2.gz IVEXFCSYGXXWHV-HXUWFJFHSA-N 0 0 388.851 3.044 20 30 GGEDRN COC(=O)C1=C(C(=O)c2cccc(Cl)c2)[C@H](c2ccsc2)NC(=S)N1 ZINC000127643831 1415825302 /nfs/dbraw/zinc/82/53/02/1415825302.db2.gz VQAYCCQDNWUHID-ZDUSSCGKSA-N 0 0 392.889 3.230 20 30 GGEDRN CCOC(=O)C1=C(C(=O)CC)[C@H](c2cccc(C(F)(F)F)c2)NC(=S)N1 ZINC000127651157 1415826398 /nfs/dbraw/zinc/82/63/98/1415826398.db2.gz GGQYXGOTSXMNTC-ZDUSSCGKSA-N 0 0 386.395 3.021 20 30 GGEDRN COc1ccc(N2CCCN(C(=O)Nc3ccc(F)cc3OCC#N)CC2)cc1 ZINC000178157578 1429002431 /nfs/dbraw/zinc/00/24/31/1429002431.db2.gz BLOHYHRMDQKOKQ-UHFFFAOYSA-N 0 0 398.438 3.481 20 30 GGEDRN CCOC(=O)C1=C(C(=O)CC)[C@H](c2ccc(C(F)(F)F)cc2)NC(=S)N1 ZINC000127655199 1415826866 /nfs/dbraw/zinc/82/68/66/1415826866.db2.gz GLHOZPQBKVJFKQ-ZDUSSCGKSA-N 0 0 386.395 3.021 20 30 GGEDRN COc1cc(F)ccc1NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000127653754 1415826912 /nfs/dbraw/zinc/82/69/12/1415826912.db2.gz XMRVTMRVTMBFNR-UHFFFAOYSA-N 0 0 381.285 3.302 20 30 GGEDRN CC(=O)Nc1cccc2c1CCN(C(=O)Nc1ccc(F)cc1OCC#N)C2 ZINC000178157597 1429002630 /nfs/dbraw/zinc/00/26/30/1429002630.db2.gz NLLRKGSVWSILIP-UHFFFAOYSA-N 0 0 382.395 3.277 20 30 GGEDRN CCOC(=O)C1=C(C(=O)CC)[C@@H](c2ccccc2C(F)(F)F)NC(=S)N1 ZINC000127657320 1415827406 /nfs/dbraw/zinc/82/74/06/1415827406.db2.gz PNUGIYQEMCBNSF-CYBMUJFWSA-N 0 0 386.395 3.021 20 30 GGEDRN C=CCOc1cc(OC)ccc1C(=O)NCCCC(=O)N1Cc2ccccc2C1 ZINC000127656576 1415827543 /nfs/dbraw/zinc/82/75/43/1415827543.db2.gz QJSMTNRZNUBGEH-UHFFFAOYSA-N 0 0 394.471 3.312 20 30 GGEDRN CCOC(=O)C1=C(C(=O)CC)[C@@H](c2ccc(-c3ccccc3)o2)NC(=S)N1 ZINC000127660292 1415828104 /nfs/dbraw/zinc/82/81/04/1415828104.db2.gz MDPKLZONEGWLBH-QGZVFWFLSA-N 0 0 384.457 3.262 20 30 GGEDRN C=C[C@H](CC(=O)N(C)CC(=O)Nc1cc(OC)cc(OC)c1)c1ccccc1 ZINC000127664392 1415829132 /nfs/dbraw/zinc/82/91/32/1415829132.db2.gz NORFFPAVGNKFCP-MRXNPFEDSA-N 0 0 382.460 3.461 20 30 GGEDRN CCOC(=O)C1=C(C(=O)C2CC2)[C@H](c2cccc(C(F)(F)F)c2)NC(=S)N1 ZINC000127665784 1415829168 /nfs/dbraw/zinc/82/91/68/1415829168.db2.gz NGEQYNMOCNYLIT-ZDUSSCGKSA-N 0 0 398.406 3.021 20 30 GGEDRN CCOC(=O)C1=C(C(=O)C2CC2)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=S)N1 ZINC000127669806 1415829660 /nfs/dbraw/zinc/82/96/60/1415829660.db2.gz FOADSGMDRHJINE-CYBMUJFWSA-N 0 0 398.406 3.021 20 30 GGEDRN CCOC(=O)C1=C(C(=O)C2CC2)[C@H](c2ccc(C(F)(F)F)cc2)NC(=S)N1 ZINC000127669594 1415829669 /nfs/dbraw/zinc/82/96/69/1415829669.db2.gz FOADSGMDRHJINE-ZDUSSCGKSA-N 0 0 398.406 3.021 20 30 GGEDRN CCOC(=O)C1=C(C(=O)C2CC2)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 ZINC000127667507 1415829902 /nfs/dbraw/zinc/82/99/02/1415829902.db2.gz ABIGINMAGUPUEC-CYBMUJFWSA-N 0 0 399.299 3.309 20 30 GGEDRN CCOC(=O)C1=C(C(=O)C2CC2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=S)N1 ZINC000127671056 1415830408 /nfs/dbraw/zinc/83/04/08/1415830408.db2.gz IPKITUXPDVZVTQ-CYBMUJFWSA-N 0 0 399.299 3.309 20 30 GGEDRN CCOC(=O)C1=C(C(=O)C2CC2)[C@@H](c2ccccc2C(F)(F)F)NC(=S)N1 ZINC000127671974 1415830417 /nfs/dbraw/zinc/83/04/17/1415830417.db2.gz SDBHPQDUPQHWKO-CYBMUJFWSA-N 0 0 398.406 3.021 20 30 GGEDRN CCOC(=O)C1=C(C(=O)C2CC2)[C@H](c2cc(Cl)cc(Cl)c2)NC(=S)N1 ZINC000127675344 1415830982 /nfs/dbraw/zinc/83/09/82/1415830982.db2.gz SMYRMXOEHGXVSC-ZDUSSCGKSA-N 0 0 399.299 3.309 20 30 GGEDRN CCC1(CO)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000127677281 1415831410 /nfs/dbraw/zinc/83/14/10/1415831410.db2.gz IWHBCUMHCIARGT-UHFFFAOYSA-N 0 0 394.519 3.389 20 30 GGEDRN N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)cc2)cc1 ZINC000178160697 1429003346 /nfs/dbraw/zinc/00/33/46/1429003346.db2.gz QEQMPKPJXDYGKE-OAHLLOKOSA-N 0 0 387.399 3.065 20 30 GGEDRN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)c(Cl)cc1F ZINC000127679934 1415832135 /nfs/dbraw/zinc/83/21/35/1415832135.db2.gz LYEIVNJNNTUDPY-FQEVSTJZSA-N 0 0 399.809 3.309 20 30 GGEDRN CCOC(=O)C1=C(C(=O)c2ccccc2C)[C@H](c2cccs2)NC(=S)N1 ZINC000127687790 1415833175 /nfs/dbraw/zinc/83/31/75/1415833175.db2.gz BUVUYFWNJSSWLH-HNNXBMFYSA-N 0 0 386.498 3.275 20 30 GGEDRN N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000127686854 1415833219 /nfs/dbraw/zinc/83/32/19/1415833219.db2.gz RVGAALTXVHJVLE-CYBMUJFWSA-N 0 0 393.384 3.074 20 30 GGEDRN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 ZINC000127691541 1415834309 /nfs/dbraw/zinc/83/43/09/1415834309.db2.gz HFFCRTZHOGUTMH-ZBFHGGJFSA-N 0 0 395.846 3.349 20 30 GGEDRN Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 ZINC000127691780 1415834358 /nfs/dbraw/zinc/83/43/58/1415834358.db2.gz HFFCRTZHOGUTMH-GDBMZVCRSA-N 0 0 395.846 3.349 20 30 GGEDRN Cc1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000127692683 1415834877 /nfs/dbraw/zinc/83/48/77/1415834877.db2.gz IXHMUZJJRDRMGD-UHFFFAOYSA-O 0 0 388.469 3.223 20 30 GGEDRN COc1ccc(-n2ccc(CNC(=O)C(C)(C)Oc3ccc(C#N)cc3)n2)cc1 ZINC000178167363 1429005141 /nfs/dbraw/zinc/00/51/41/1429005141.db2.gz XCKYHUYTLGEBHS-UHFFFAOYSA-N 0 0 390.443 3.226 20 30 GGEDRN CC1(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCCCC1 ZINC000127719801 1415838441 /nfs/dbraw/zinc/83/84/41/1415838441.db2.gz ZAGXVHSWUDWPMK-UHFFFAOYSA-N 0 0 383.471 3.484 20 30 GGEDRN Cc1cccc(NC(=O)[C@H](C#N)C(=O)CC[C@@H]2Cc3ccccc3NC2=O)c1 ZINC000127725335 1415839564 /nfs/dbraw/zinc/83/95/64/1415839564.db2.gz JINMLAXGGDBOEJ-SJLPKXTDSA-N 0 0 375.428 3.234 20 30 GGEDRN C[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1cc2ccccc2o1 ZINC000127730461 1415840782 /nfs/dbraw/zinc/84/07/82/1415840782.db2.gz ARHVNUYZKHRCBX-OAHLLOKOSA-N 0 0 375.432 3.292 20 30 GGEDRN CSc1[n-]c(=O)c(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1C#N ZINC000127754369 1415844847 /nfs/dbraw/zinc/84/48/47/1415844847.db2.gz AYDQJGAEKRIWOL-UHFFFAOYSA-N 0 0 396.516 3.453 20 30 GGEDRN N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000127756588 1415845284 /nfs/dbraw/zinc/84/52/84/1415845284.db2.gz QCJDCLKCVKKWSB-MRXNPFEDSA-N 0 0 376.441 3.470 20 30 GGEDRN N#Cc1ccc([C@H](O)CS(=O)(=O)Cc2csc(Cc3ccccc3)n2)cc1 ZINC000127760793 1415845853 /nfs/dbraw/zinc/84/58/53/1415845853.db2.gz ASVYCWLXHPFCEN-LJQANCHMSA-N 0 0 398.509 3.254 20 30 GGEDRN C=CCOc1cc(OC)ccc1C(=O)N1CCN([C@@H](C)c2cccnc2)CC1 ZINC000127779455 1415848897 /nfs/dbraw/zinc/84/88/97/1415848897.db2.gz QMYWTDMRAUXXKS-KRWDZBQOSA-N 0 0 381.476 3.174 20 30 GGEDRN CC(C)(C)OC(=O)NCCCC(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000127784384 1415849963 /nfs/dbraw/zinc/84/99/63/1415849963.db2.gz KDOHCGSFPBQTGC-CQSZACIVSA-N 0 0 396.285 3.435 20 30 GGEDRN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000127790227 1415851237 /nfs/dbraw/zinc/85/12/37/1415851237.db2.gz QRHILMBASWVUSN-SFHVURJKSA-N 0 0 389.371 3.050 20 30 GGEDRN CC(C)NC(=O)CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000127793938 1415851812 /nfs/dbraw/zinc/85/18/12/1415851812.db2.gz HRGLNHINISJTHQ-UHFFFAOYSA-N 0 0 381.501 3.495 20 30 GGEDRN Cc1c(NCCCOc2cccc(C#N)c2)cccc1C(=O)N1CCOCC1 ZINC000127814398 1415855914 /nfs/dbraw/zinc/85/59/14/1415855914.db2.gz NWGLXWWBVJLUMO-UHFFFAOYSA-N 0 0 379.460 3.220 20 30 GGEDRN O=C(C#Cc1ccc2c(c1)OCO2)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000127827531 1415858020 /nfs/dbraw/zinc/85/80/20/1415858020.db2.gz JKCYMXOAPQAVLD-ZWKOTPCHSA-N 0 0 381.428 3.255 20 30 GGEDRN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)NC(C)C)cc2)c1 ZINC000127826430 1415858128 /nfs/dbraw/zinc/85/81/28/1415858128.db2.gz OEIKDKQJTXQQNF-SFHVURJKSA-N 0 0 378.432 3.486 20 30 GGEDRN O=C(C#Cc1ccc2c(c1)OCO2)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000127827773 1415858739 /nfs/dbraw/zinc/85/87/39/1415858739.db2.gz JKCYMXOAPQAVLD-ROUUACIJSA-N 0 0 381.428 3.255 20 30 GGEDRN N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1cccc(I)c1 ZINC000127843117 1415861224 /nfs/dbraw/zinc/86/12/24/1415861224.db2.gz FXUJXCFADMWYDM-CQSZACIVSA-N 0 0 390.180 3.252 20 30 GGEDRN CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)Cc1cccc(C(=O)OC)c1 ZINC000127842104 1415861240 /nfs/dbraw/zinc/86/12/40/1415861240.db2.gz OHHDNDKYDQWIMJ-OAHLLOKOSA-N 0 0 386.473 3.258 20 30 GGEDRN CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)Cc1cccc(C(=O)OC)c1 ZINC000127841855 1415861381 /nfs/dbraw/zinc/86/13/81/1415861381.db2.gz OHHDNDKYDQWIMJ-HNNXBMFYSA-N 0 0 386.473 3.258 20 30 GGEDRN C=C[C@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000127848932 1415862418 /nfs/dbraw/zinc/86/24/18/1415862418.db2.gz AINGPCOWJCJOHK-LJQANCHMSA-N 0 0 377.488 3.129 20 30 GGEDRN Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000127850117 1415862912 /nfs/dbraw/zinc/86/29/12/1415862912.db2.gz KEQCYHUIERQDPN-KDOFPFPSSA-N 0 0 397.456 3.126 20 30 GGEDRN N#C[C@H](C(=O)Nc1cccc2ccccc21)C(=O)c1ccc(-n2ccnn2)cc1 ZINC000127854016 1415863567 /nfs/dbraw/zinc/86/35/67/1415863567.db2.gz PVWAZUOGMWKYBJ-IBGZPJMESA-N 0 0 381.395 3.382 20 30 GGEDRN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000127861714 1415865115 /nfs/dbraw/zinc/86/51/15/1415865115.db2.gz QDDUBJAPSZTMGN-VQIMIIECSA-N 0 0 391.471 3.179 20 30 GGEDRN CCc1ccc(/C=N/OCC(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1 ZINC000127869836 1415866801 /nfs/dbraw/zinc/86/68/01/1415866801.db2.gz ZLQRMSOFJXTLKK-BUVRLJJBSA-N 0 0 387.524 3.000 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)N[C@@H](C)C3CCC3)c(C#N)c2N)cc1 ZINC000127872385 1415867321 /nfs/dbraw/zinc/86/73/21/1415867321.db2.gz RSYNPLQSTTXTLN-HNNXBMFYSA-N 0 0 380.496 3.055 20 30 GGEDRN N#Cc1cccc(OCCCNc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)c1 ZINC000127906556 1415873827 /nfs/dbraw/zinc/87/38/27/1415873827.db2.gz BLFOVZKWDGYUJK-IBGZPJMESA-N 0 0 393.487 3.284 20 30 GGEDRN COc1ccc(COCCCC(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1 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CC(C)CCn1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)nn1 ZINC000128214253 1415940787 /nfs/dbraw/zinc/94/07/87/1415940787.db2.gz BCBUIVCIKZYCCT-UHFFFAOYSA-N 0 0 380.477 3.495 20 30 GGEDRN CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000128217101 1415942468 /nfs/dbraw/zinc/94/24/68/1415942468.db2.gz MNCVRBKAEZJFSQ-LJQANCHMSA-N 0 0 385.489 3.382 20 30 GGEDRN Cc1nc(C)c(C#N)c(SCC(=O)NCc2ccc(COC(C)C)cc2)n1 ZINC000128219798 1415942752 /nfs/dbraw/zinc/94/27/52/1415942752.db2.gz VXNJWLSIQQLTKU-UHFFFAOYSA-N 0 0 384.505 3.299 20 30 GGEDRN Cc1cccc(S(=O)(=O)Oc2c(Br)cccc2[N+](=O)[O-])c1C#N ZINC000128233615 1415944788 /nfs/dbraw/zinc/94/47/88/1415944788.db2.gz OJFJMQBTJXJTFS-UHFFFAOYSA-N 0 0 397.206 3.305 20 30 GGEDRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000128231526 1415944959 /nfs/dbraw/zinc/94/49/59/1415944959.db2.gz AYSALUVPIDEDGL-UXHICEINSA-N 0 0 379.460 3.012 20 30 GGEDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000128241511 1415946175 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GGEDRN C[C@H](C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)c1ccccc1 ZINC000128251119 1415948654 /nfs/dbraw/zinc/94/86/54/1415948654.db2.gz BLUFZOBJSJDPQD-HNNXBMFYSA-N 0 0 391.450 3.318 20 30 GGEDRN N#CCC[C@H](NC(=O)C(=O)Nc1cccc(Cn2cccn2)c1)c1ccccc1 ZINC000128262939 1415949928 /nfs/dbraw/zinc/94/99/28/1415949928.db2.gz IOPSDKGRVBQPRF-FQEVSTJZSA-N 0 0 387.443 3.031 20 30 GGEDRN N#Cc1cc(NC(=O)Cc2ccc(F)cc2Cl)ccc1N1CCC(O)CC1 ZINC000128264988 1415950595 /nfs/dbraw/zinc/95/05/95/1415950595.db2.gz PUFSSQOMVMDDBY-UHFFFAOYSA-N 0 0 387.842 3.493 20 30 GGEDRN N#Cc1ccccc1OCC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000178223253 1429022356 /nfs/dbraw/zinc/02/23/56/1429022356.db2.gz ZLLHHSKPWDACEP-UHFFFAOYSA-N 0 0 376.166 3.246 20 30 GGEDRN CCN(CC)Cc1nc(C2(NC(=O)CCc3ccc(C#N)cc3)CCCC2)no1 ZINC000128275164 1415952327 /nfs/dbraw/zinc/95/23/27/1415952327.db2.gz ISFLIMJSESEWBH-UHFFFAOYSA-N 0 0 395.507 3.301 20 30 GGEDRN CC(C)(C)Nc1ccc(C(N)=NOCC(=O)NC2(c3ccccc3)CCC2)nc1 ZINC000128277965 1415953026 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VQVZJEAHUVVJMF-LLVKDONJSA-N 0 0 382.258 3.442 20 30 GGEDRN CCc1c(C(=O)CN(CCOC)Cc2ccc(C#N)cc2)[nH]c(C)c1C(C)=O ZINC000131215925 1416524731 /nfs/dbraw/zinc/52/47/31/1416524731.db2.gz BRTJEGIZVDVYPL-UHFFFAOYSA-N 0 0 381.476 3.291 20 30 GGEDRN COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccccn2)n1 ZINC000131223878 1416525976 /nfs/dbraw/zinc/52/59/76/1416525976.db2.gz WQIVKCRWWBQIRC-LBPRGKRZSA-N 0 0 378.413 3.175 20 30 GGEDRN CSCCNC(=S)C(C(=O)c1ccc(C)c(C)c1)[n+]1cc([O-])ccc1F ZINC000131236613 1416527687 /nfs/dbraw/zinc/52/76/87/1416527687.db2.gz JRSLFBOSPJFFKU-UHFFFAOYSA-O 0 0 393.529 3.327 20 30 GGEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccccn3)n2)cc1 ZINC000131236930 1416527952 /nfs/dbraw/zinc/52/79/52/1416527952.db2.gz MZKXYAQHHRRWRC-AWEZNQCLSA-N 0 0 378.413 3.175 20 30 GGEDRN C[C@H](c1nc(-c2ccccc2)no1)[S@](=O)CC(=O)Nc1cccc(C#N)c1 ZINC000131244581 1416529300 /nfs/dbraw/zinc/52/93/00/1416529300.db2.gz ZXMBHNIAPHHYIQ-QWVSSGJLSA-N 0 0 380.429 3.057 20 30 GGEDRN N#Cc1ccc(OCc2cccc(C(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)c2)cc1 ZINC000131246264 1416529308 /nfs/dbraw/zinc/52/93/08/1416529308.db2.gz NJSIQEPJRQETCV-LEWJYISDSA-N 0 0 389.455 3.020 20 30 GGEDRN CN(CCCCNC(=O)c1cccc(CC#N)c1)C(=O)c1cccc(CC#N)c1 ZINC000178552974 1429104871 /nfs/dbraw/zinc/10/48/71/1429104871.db2.gz HESHDOFHUOTZGJ-UHFFFAOYSA-N 0 0 388.471 3.101 20 30 GGEDRN C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1c(C)cnn1-c1ccccc1 ZINC000131266596 1416532227 /nfs/dbraw/zinc/53/22/27/1416532227.db2.gz PHOXFSHDZPGELI-UHFFFAOYSA-N 0 0 388.471 3.377 20 30 GGEDRN CC(C)OCc1ccc(CNC(=O)CON=C(N)c2cccc(Cl)c2)cc1 ZINC000131276116 1416533712 /nfs/dbraw/zinc/53/37/12/1416533712.db2.gz SAFCYWKEVJBHAW-UHFFFAOYSA-N 0 0 389.883 3.218 20 30 GGEDRN Cc1nc(SCC(=O)NC[C@@](C)(O)c2ccc(F)cc2)c(C#N)c(C)c1C ZINC000131281476 1416534657 /nfs/dbraw/zinc/53/46/57/1416534657.db2.gz LPLSPNCUNBAWPX-HXUWFJFHSA-N 0 0 387.480 3.134 20 30 GGEDRN C#CCOc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 ZINC000131281300 1416534672 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Cc1cccc(C)c1NC(=O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000131325613 1416540507 /nfs/dbraw/zinc/54/05/07/1416540507.db2.gz RPOVINXONTZFCR-UHFFFAOYSA-N 0 0 392.459 3.015 20 30 GGEDRN CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000131327074 1416540731 /nfs/dbraw/zinc/54/07/31/1416540731.db2.gz KUKHMZOBWKNPBM-MRXNPFEDSA-N 0 0 379.460 3.172 20 30 GGEDRN Cc1cc(Br)ccc1OC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000131342501 1416542769 /nfs/dbraw/zinc/54/27/69/1416542769.db2.gz FBMWWSCAVKMIAD-UHFFFAOYSA-N 0 0 389.249 3.473 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000178557287 1429106180 /nfs/dbraw/zinc/10/61/80/1429106180.db2.gz VCEKBKKSGAYWBN-UHFFFAOYSA-N 0 0 390.487 3.470 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000131373304 1416547249 /nfs/dbraw/zinc/54/72/49/1416547249.db2.gz CEPNKSNKBZHRTP-IBGZPJMESA-N 0 0 388.464 3.267 20 30 GGEDRN C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)OC1CCCC1 ZINC000178560977 1429106665 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GGEDRN COc1ccccc1[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1C)c1ccco1 ZINC000131485030 1416564959 /nfs/dbraw/zinc/56/49/59/1416564959.db2.gz CNHSKGKIAFUQPC-FQEVSTJZSA-N 0 0 389.411 3.313 20 30 GGEDRN C=CCc1ccc(OC[C@@H](O)CN2CCc3ccc([N+](=O)[O-])cc3C2)c(OC)c1 ZINC000131488271 1416565308 /nfs/dbraw/zinc/56/53/08/1416565308.db2.gz ZMTUHAFGAAAKFQ-FQEVSTJZSA-N 0 0 398.459 3.130 20 30 GGEDRN CC(C)CC1(CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000131493783 1416566213 /nfs/dbraw/zinc/56/62/13/1416566213.db2.gz CDIPYYRQSJARHZ-UHFFFAOYSA-N 0 0 375.472 3.362 20 30 GGEDRN CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-n3cnnn3)c2)cc1 ZINC000131495871 1416566707 /nfs/dbraw/zinc/56/67/07/1416566707.db2.gz WMQUIJKCYPKXRI-LIRRHRJNSA-N 0 0 388.431 3.137 20 30 GGEDRN CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCn2c(C)csc2=O)cc1 ZINC000131512646 1416569139 /nfs/dbraw/zinc/56/91/39/1416569139.db2.gz HFNCGLDHEGEVBK-CXAGYDPISA-N 0 0 385.489 3.469 20 30 GGEDRN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(C)(C)C#N ZINC000131522759 1416570866 /nfs/dbraw/zinc/57/08/66/1416570866.db2.gz PHJDTOZLZVUKIF-OAHLLOKOSA-N 0 0 378.494 3.346 20 30 GGEDRN COc1ccc([C@H](C#N)N2CCN(C(=O)CSc3ccoc3C)CC2)cc1 ZINC000131523560 1416570908 /nfs/dbraw/zinc/57/09/08/1416570908.db2.gz FYNHIDAGSDTNLM-SFHVURJKSA-N 0 0 385.489 3.098 20 30 GGEDRN C=CCc1cc(C(=O)N2CCC([C@H](O)C(F)(F)F)CC2)cc(OC)c1OC ZINC000131546966 1416574315 /nfs/dbraw/zinc/57/43/15/1416574315.db2.gz DHBFBFLJYHLOHM-KRWDZBQOSA-N 0 0 387.398 3.208 20 30 GGEDRN COc1nn(C)c2nc(C)c(CCC(=O)OCc3ccc(C#N)cc3C)c(C)c12 ZINC000131550507 1416574580 /nfs/dbraw/zinc/57/45/80/1416574580.db2.gz VJDFPTCHULLSCZ-UHFFFAOYSA-N 0 0 392.459 3.450 20 30 GGEDRN CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CNC(N)=O)cc2)cc1 ZINC000131555195 1416575651 /nfs/dbraw/zinc/57/56/51/1416575651.db2.gz USXAXDWKXVQMGT-LIRRHRJNSA-N 0 0 392.459 3.330 20 30 GGEDRN Cc1cc(C#N)ccc1COC(=O)[C@@H](NC(=O)COc1ccccc1)C(C)C ZINC000131566523 1416577162 /nfs/dbraw/zinc/57/71/62/1416577162.db2.gz QLYCPHNHKXCNSG-NRFANRHFSA-N 0 0 380.444 3.130 20 30 GGEDRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)OCc1ccc(C#N)cc1C ZINC000131571500 1416577603 /nfs/dbraw/zinc/57/76/03/1416577603.db2.gz NBPPJEYOLKFJCG-UHFFFAOYSA-N 0 0 389.459 3.362 20 30 GGEDRN CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(C)(C)C#N)ccc1Cl ZINC000131577123 1416578601 /nfs/dbraw/zinc/57/86/01/1416578601.db2.gz JKWPRSUCBNTAJK-LBPRGKRZSA-N 0 0 386.901 3.466 20 30 GGEDRN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1)C(C)(C)C#N ZINC000131582643 1416579572 /nfs/dbraw/zinc/57/95/72/1416579572.db2.gz DTOZKNORXUYETE-XHSDSOJGSA-N 0 0 392.521 3.448 20 30 GGEDRN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)C(C)(C)C#N ZINC000131583085 1416579635 /nfs/dbraw/zinc/57/96/35/1416579635.db2.gz DTOZKNORXUYETE-OAGGEKHMSA-N 0 0 392.521 3.448 20 30 GGEDRN CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)OCc1ccc(C#N)cc1C ZINC000131595890 1416582068 /nfs/dbraw/zinc/58/20/68/1416582068.db2.gz XOAGFTAXBWEDIW-HXUWFJFHSA-N 0 0 396.512 3.391 20 30 GGEDRN CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2CCN(C(=O)N(C)C)CC2)cc1 ZINC000131600363 1416582941 /nfs/dbraw/zinc/58/29/41/1416582941.db2.gz AUONLOPCJKOCLP-DNVCBOLYSA-N 0 0 398.507 3.241 20 30 GGEDRN Cc1cc(C#N)ccc1COC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000131618206 1416585411 /nfs/dbraw/zinc/58/54/11/1416585411.db2.gz VHLLDWRTLFAHQM-UHFFFAOYSA-N 0 0 382.441 3.301 20 30 GGEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 ZINC000131649051 1416590082 /nfs/dbraw/zinc/59/00/82/1416590082.db2.gz NSIMMZGMUVGLOT-HXUWFJFHSA-N 0 0 388.427 3.459 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000131665784 1416593008 /nfs/dbraw/zinc/59/30/08/1416593008.db2.gz FXBWBMFVKZULIW-CQSZACIVSA-N 0 0 395.242 3.102 20 30 GGEDRN Cc1ccc(CC(=O)N2CCN(C(=O)Nc3cccc(C#N)c3C)CC2)cc1 ZINC000178572245 1429110465 /nfs/dbraw/zinc/11/04/65/1429110465.db2.gz BEJHDOLRNVCASA-UHFFFAOYSA-N 0 0 376.460 3.094 20 30 GGEDRN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)c1ccccc1 ZINC000131668082 1416593848 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C=CCc1cc(C(=O)Nc2cccc(-c3nnnn3CC)c2)cc(OC)c1OC ZINC000131877199 1416639895 /nfs/dbraw/zinc/63/98/95/1416639895.db2.gz ZCCAQYJMNKPTJC-UHFFFAOYSA-N 0 0 393.447 3.358 20 30 GGEDRN Cc1c(NC(=O)[C@@H](C#N)C(=O)CC2CCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000131876064 1416639945 /nfs/dbraw/zinc/63/99/45/1416639945.db2.gz RFCBHFNXHTYYGK-SFHVURJKSA-N 0 0 394.475 3.102 20 30 GGEDRN Cc1cccn2cc(-c3ccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)cc3)nc12 ZINC000131878839 1416640755 /nfs/dbraw/zinc/64/07/55/1416640755.db2.gz MSWGJARZGLCYGC-HNNXBMFYSA-N 0 0 375.432 3.009 20 30 GGEDRN C=C(C)COCCNC(=O)CN=c1nc(C)[nH]c2sc(-c3ccccc3)cc21 ZINC000131894593 1416643498 /nfs/dbraw/zinc/64/34/98/1416643498.db2.gz ZOIXHGKJQBDXPB-UHFFFAOYSA-N 0 0 396.516 3.209 20 30 GGEDRN C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000131897535 1416644435 /nfs/dbraw/zinc/64/44/35/1416644435.db2.gz OKSSODLXJGPJFP-CQSZACIVSA-N 0 0 382.489 3.010 20 30 GGEDRN C=CCc1cc(C(=O)NCCc2cccc(C(=O)N(C)C)c2)cc(OC)c1OC ZINC000131905969 1416647855 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393.491 3.151 20 30 GGEDRN C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H](CCC#N)c3ccccc3)cn2)CCO1 ZINC000131961574 1416660188 /nfs/dbraw/zinc/66/01/88/1416660188.db2.gz PEHYEYAFIVAQCK-XLIONFOSSA-N 0 0 393.491 3.151 20 30 GGEDRN CCCOc1cc(C)ccc1CNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000131962363 1416661344 /nfs/dbraw/zinc/66/13/44/1416661344.db2.gz XAWLEEGVYIFRCN-UHFFFAOYSA-N 0 0 393.491 3.082 20 30 GGEDRN C[C@H]1CN(c2ccc(NC(=O)COc3cccc(F)c3C#N)cc2)C[C@H](C)O1 ZINC000131965269 1416661631 /nfs/dbraw/zinc/66/16/31/1416661631.db2.gz LIOJFOJLTCMDKI-GJZGRUSLSA-N 0 0 383.423 3.328 20 30 GGEDRN C[C@@H]1CN(c2ccc(NC(=O)COc3cccc(F)c3C#N)cc2)C[C@@H](C)O1 ZINC000131965455 1416661904 /nfs/dbraw/zinc/66/19/04/1416661904.db2.gz LIOJFOJLTCMDKI-HUUCEWRRSA-N 0 0 383.423 3.328 20 30 GGEDRN C=C(C)COCCNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000131979308 1416665155 /nfs/dbraw/zinc/66/51/55/1416665155.db2.gz FGCXBRHPTKVEHK-UHFFFAOYSA-N 0 0 391.449 3.400 20 30 GGEDRN CCn1c(NC(=O)CCOCc2ccc(OC)cc2)nc2cc(C#N)ccc21 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QKAIJZIVNOGMRF-UHFFFAOYSA-N 0 0 386.383 3.197 20 30 GGEDRN C[C@H](CC#N)N(C)C(=O)C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC000132040201 1416681072 /nfs/dbraw/zinc/68/10/72/1416681072.db2.gz QIUCJQJASZBKII-SNVBAGLBSA-N 0 0 394.403 3.111 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000132051070 1416682961 /nfs/dbraw/zinc/68/29/61/1416682961.db2.gz LJQNVPGDYIQMMX-HXUWFJFHSA-N 0 0 381.432 3.469 20 30 GGEDRN CCn1c(NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)nc2cc(C#N)ccc21 ZINC000132057358 1416684067 /nfs/dbraw/zinc/68/40/67/1416684067.db2.gz PWUBYIRKJSKZOT-ZDUSSCGKSA-N 0 0 385.468 3.369 20 30 GGEDRN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NCc1ccc(C#N)cc1F ZINC000132057020 1416684398 /nfs/dbraw/zinc/68/43/98/1416684398.db2.gz NBFIRVOMFJUSHR-UHFFFAOYSA-N 0 0 391.468 3.395 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(C(F)(F)F)nc3)CC2)nc1 ZINC000132060426 1416684775 /nfs/dbraw/zinc/68/47/75/1416684775.db2.gz WOHNIJSQYCKIMO-UHFFFAOYSA-N 0 0 390.369 3.158 20 30 GGEDRN Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C(=O)N(C)[C@H](C)CC#N ZINC000132062012 1416685331 /nfs/dbraw/zinc/68/53/31/1416685331.db2.gz LGCMJAYIFDPMLA-CQSZACIVSA-N 0 0 381.480 3.177 20 30 GGEDRN CC(C)(C)OC(=O)NC1(c2noc(Cc3cccc(OCC#N)c3)n2)CCC1 ZINC000132063751 1416685855 /nfs/dbraw/zinc/68/58/55/1416685855.db2.gz XQHLAKRBGBGEHR-UHFFFAOYSA-N 0 0 384.436 3.467 20 30 GGEDRN N#Cc1ccc(N2CCN(Cc3coc(-c4c(F)cccc4F)n3)CC2)nc1 ZINC000178605538 1429119319 /nfs/dbraw/zinc/11/93/19/1429119319.db2.gz JUIHGCBSEILKSF-UHFFFAOYSA-N 0 0 381.386 3.209 20 30 GGEDRN CC(C)(C)OC(=O)NC(C)(C)c1noc(COc2cccc(F)c2C#N)n1 ZINC000132082561 1416690666 /nfs/dbraw/zinc/69/06/66/1416690666.db2.gz GBFGLEFMHGBTNC-UHFFFAOYSA-N 0 0 376.388 3.419 20 30 GGEDRN C#CCOc1cccc(NC(=O)C(=O)NCc2ccc(C)cc2O[C@@H](C)CC)c1 ZINC000132089408 1416693527 /nfs/dbraw/zinc/69/35/27/1416693527.db2.gz TTXHTRVERFMJFR-KRWDZBQOSA-N 0 0 394.471 3.439 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)c2c[nH]nc2-c2ccccc2F)CC1 ZINC000132094710 1416694401 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COC[C@@](C)(C#N)NC(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1C ZINC000137190172 1417374165 /nfs/dbraw/zinc/37/41/65/1417374165.db2.gz TXKGEDKEFGYEFG-SQUSKLHYSA-N 0 0 386.883 3.260 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000137198059 1417374831 /nfs/dbraw/zinc/37/48/31/1417374831.db2.gz UEXPUPRWWKWMKU-BFYDXBDKSA-N 0 0 386.521 3.461 20 30 GGEDRN C[C@@](O)(CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000137208354 1417375426 /nfs/dbraw/zinc/37/54/26/1417375426.db2.gz NTIIUCVRWZJZNK-LJQANCHMSA-N 0 0 394.368 3.403 20 30 GGEDRN Cc1cccc(S(=O)(=O)Nc2cc(N3CCCC3=O)ccc2Cl)c1C#N ZINC000137263213 1417378606 /nfs/dbraw/zinc/37/86/06/1417378606.db2.gz GDHASWZCDXOGLX-UHFFFAOYSA-N 0 0 389.864 3.448 20 30 GGEDRN Cc1oncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000137297052 1417379464 /nfs/dbraw/zinc/37/94/64/1417379464.db2.gz IUWDGONYDHCVFS-UHFFFAOYSA-N 0 0 396.428 3.216 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)Nc2cncnc2N2CCCC2)cc1OC ZINC000137304505 1417380296 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CCc1nnc(COC(=O)c2ccc(OCc3ccccc3C#N)cc2)n1C ZINC000137596831 1417391266 /nfs/dbraw/zinc/39/12/66/1417391266.db2.gz WNJQJAYXVFTRBU-UHFFFAOYSA-N 0 0 376.416 3.185 20 30 GGEDRN NC(Cc1cccnc1)=NOCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000137654083 1417392521 /nfs/dbraw/zinc/39/25/21/1417392521.db2.gz ZUVKPLIPYKZKPD-UHFFFAOYSA-N 0 0 376.416 3.344 20 30 GGEDRN N#CCC[C@H](NC(=O)N1CCN(C(=O)Cc2ccccc2)CC1)c1ccccc1 ZINC000178824867 1429183970 /nfs/dbraw/zinc/18/39/70/1429183970.db2.gz NWFHRRIFROGZNN-NRFANRHFSA-N 0 0 390.487 3.128 20 30 GGEDRN Cc1cc(NC(=O)C2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)no1 ZINC000178825795 1429184069 /nfs/dbraw/zinc/18/40/69/1429184069.db2.gz DLWRCTORZZNCOU-GOSISDBHSA-N 0 0 395.463 3.388 20 30 GGEDRN N#Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1Cl ZINC000137740885 1417394277 /nfs/dbraw/zinc/39/42/77/1417394277.db2.gz CRMRBAJPNVIARZ-UHFFFAOYSA-N 0 0 389.864 3.248 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N(C)c2ccc(OC)c(Cl)c2)cc1 ZINC000137791570 1417394853 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C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N(CC)C(C)C)cc2)c1 ZINC000138340056 1417411466 /nfs/dbraw/zinc/41/14/66/1417411466.db2.gz PIFDQBCBBJCKFN-UHFFFAOYSA-N 0 0 399.516 3.085 20 30 GGEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(-c2ccccn2)[nH]c1=O ZINC000138355117 1417412133 /nfs/dbraw/zinc/41/21/33/1417412133.db2.gz ONTZMSJMEYRUBC-UHFFFAOYSA-N 0 0 392.418 3.484 20 30 GGEDRN CC(C)(C)OC(=O)NC[C@@](C)(NCc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000138535013 1417424373 /nfs/dbraw/zinc/42/43/73/1417424373.db2.gz FOGHWXQKEXLZNH-OAQYLSRUSA-N 0 0 397.479 3.391 20 30 GGEDRN CCN(CCC#N)Cn1nc2n(c1=S)c1ccccc1c(=O)n2CCC(C)C ZINC000138625425 1417430165 /nfs/dbraw/zinc/43/01/65/1417430165.db2.gz BAZDHPRUSDYPSO-UHFFFAOYSA-N 0 0 398.536 3.419 20 30 GGEDRN Cc1ccc(F)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c1N ZINC000138680128 1417434517 /nfs/dbraw/zinc/43/45/17/1417434517.db2.gz MIXBVYLNYIFKKM-JTQLQIEISA-N 0 0 375.787 3.425 20 30 GGEDRN Cc1nn(C)c(C)c1[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000138737724 1417435651 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N#CCn1cc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cn1 ZINC000139354200 1417457466 /nfs/dbraw/zinc/45/74/66/1417457466.db2.gz DLRGBRMMMKJGPC-UHFFFAOYSA-N 0 0 390.428 3.341 20 30 GGEDRN N#CCn1cc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cn1 ZINC000139374180 1417457549 /nfs/dbraw/zinc/45/75/49/1417457549.db2.gz MMHWMQQJHUZVIL-UHFFFAOYSA-N 0 0 394.818 3.309 20 30 GGEDRN Cc1ccc2nc(COc3ccccc3C(=O)Nc3cnn(CC#N)c3)cn2c1 ZINC000139393713 1417458287 /nfs/dbraw/zinc/45/82/87/1417458287.db2.gz YUIRKXFRKLJCPC-UHFFFAOYSA-N 0 0 386.415 3.194 20 30 GGEDRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)Nc1cnn(CC#N)c1 ZINC000139392554 1417458364 /nfs/dbraw/zinc/45/83/64/1417458364.db2.gz MQBOOSSDCSTRAI-UHFFFAOYSA-N 0 0 382.855 3.352 20 30 GGEDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cnn(CC#N)c2)cc1 ZINC000139416086 1417458929 /nfs/dbraw/zinc/45/89/29/1417458929.db2.gz WLFCGELGJGPYRM-UHFFFAOYSA-N 0 0 393.359 3.368 20 30 GGEDRN COc1ccc(-c2nc(C)c(C(=O)Nc3cnn(CC#N)c3)s2)cc1OC ZINC000139405001 1417459047 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CC[C@H](C)Oc1cccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000141217853 1417529790 /nfs/dbraw/zinc/52/97/90/1417529790.db2.gz IYKPPKNIXVVBIY-INIZCTEOSA-N 0 0 379.464 3.485 20 30 GGEDRN C[C@@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H](O)Cc1ccccc1 ZINC000178844887 1429191980 /nfs/dbraw/zinc/19/19/80/1429191980.db2.gz VJIISCOPRHGHNU-DNVCBOLYSA-N 0 0 390.405 3.348 20 30 GGEDRN C[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H](O)Cc1ccccc1 ZINC000178844898 1429192855 /nfs/dbraw/zinc/19/28/55/1429192855.db2.gz VJIISCOPRHGHNU-KXBFYZLASA-N 0 0 390.405 3.348 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H](OCC)c2ccccc2)cc1 ZINC000141712922 1417552581 /nfs/dbraw/zinc/55/25/81/1417552581.db2.gz XPDRSRKTOYBSEH-IBGZPJMESA-N 0 0 388.489 3.209 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000141875982 1417561660 /nfs/dbraw/zinc/56/16/60/1417561660.db2.gz UUYBIQRWVNHUQA-HXUWFJFHSA-N 0 0 389.459 3.220 20 30 GGEDRN COC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000178848443 1429194081 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GGEDRN C=CCOc1ccc(C(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000143267362 1417623318 /nfs/dbraw/zinc/62/33/18/1417623318.db2.gz ZGVCEQRCRMRXRB-INIZCTEOSA-N 0 0 395.377 3.440 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)c1ccc(SC)cc1 ZINC000143292879 1417624627 /nfs/dbraw/zinc/62/46/27/1417624627.db2.gz DHSKCBHOXOACKD-CYBMUJFWSA-N 0 0 383.473 3.495 20 30 GGEDRN CN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(C#N)c1 ZINC000143415592 1417631551 /nfs/dbraw/zinc/63/15/51/1417631551.db2.gz PMHBQMSEEYTWKJ-UHFFFAOYSA-N 0 0 397.500 3.400 20 30 GGEDRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)N(C)c2cccc(C#N)c2)CC1=O ZINC000143519687 1417637942 /nfs/dbraw/zinc/63/79/42/1417637942.db2.gz TULLKZYFPQXNER-AWEZNQCLSA-N 0 0 383.835 3.236 20 30 GGEDRN COc1ccc(Cl)cc1N1C[C@H](C(=O)N(C)c2cccc(C#N)c2)CC1=O ZINC000143519462 1417638131 /nfs/dbraw/zinc/63/81/31/1417638131.db2.gz TULLKZYFPQXNER-CQSZACIVSA-N 0 0 383.835 3.236 20 30 GGEDRN C=CCc1cc(OC)cc(CN2CCN(C(=O)c3cccc(F)c3)CC2)c1O ZINC000178857658 1429198748 /nfs/dbraw/zinc/19/87/48/1429198748.db2.gz JDSBJTKWVFZBLQ-UHFFFAOYSA-N 0 0 384.451 3.226 20 30 GGEDRN N#Cc1ccc(CCC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC000143824765 1417648742 /nfs/dbraw/zinc/64/87/42/1417648742.db2.gz DNGIAJHEMFHQSK-OAHLLOKOSA-N 0 0 393.270 3.354 20 30 GGEDRN N#Cc1ccc(CN2CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)cc1 ZINC000143977376 1417652725 /nfs/dbraw/zinc/65/27/25/1417652725.db2.gz AYBKACAHOYOQFI-UHFFFAOYSA-N 0 0 398.470 3.365 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)N(C)CCOc2ccc(Cl)cc2)c1 ZINC000143941594 1417653167 /nfs/dbraw/zinc/65/31/67/1417653167.db2.gz OTQQVJCMFWGKCY-UHFFFAOYSA-N 0 0 388.851 3.381 20 30 GGEDRN CCOCCCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000144698571 1417669750 /nfs/dbraw/zinc/66/97/50/1417669750.db2.gz MRGHLPPCLKHHIU-UHFFFAOYSA-N 0 0 381.432 3.222 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000144729624 1417670585 /nfs/dbraw/zinc/67/05/85/1417670585.db2.gz UKQWDYWEXMTREL-IYBDPMFKSA-N 0 0 395.459 3.198 20 30 GGEDRN COc1ccc(-c2nc(SCC(=O)Nc3cccc(C#N)c3)n[nH]2)c(OC)c1 ZINC000144822535 1417672785 /nfs/dbraw/zinc/67/27/85/1417672785.db2.gz GXIFLSKTFUGHTH-UHFFFAOYSA-N 0 0 395.444 3.091 20 30 GGEDRN N#Cc1ccccc1CSCCNc1ncnc2c1cnn2-c1ccncc1 ZINC000178863173 1429200939 /nfs/dbraw/zinc/20/09/39/1429200939.db2.gz BAVZSIHOBNNKEU-UHFFFAOYSA-N 0 0 387.472 3.427 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC(CC)CC2)cc1 ZINC000145407037 1417688006 /nfs/dbraw/zinc/68/80/06/1417688006.db2.gz DJMFAXIWYKCOQP-UHFFFAOYSA-N 0 0 383.492 3.088 20 30 GGEDRN Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\c1ccccc1 ZINC000145735775 1417698606 /nfs/dbraw/zinc/69/86/06/1417698606.db2.gz AUQHIQWALPKFRZ-SLNYWTKHSA-N 0 0 398.488 3.092 20 30 GGEDRN CC(C)(CO)[C@H](CNC(=O)NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000178867027 1429203044 /nfs/dbraw/zinc/20/30/44/1429203044.db2.gz BDUSZQOGMSLHEL-HXUWFJFHSA-N 0 0 381.476 3.190 20 30 GGEDRN COc1ccc2c(c1)OC[C@H](C(=O)NCCSCc1ccccc1C#N)C2 ZINC000146064525 1417709093 /nfs/dbraw/zinc/70/90/93/1417709093.db2.gz BNJDJUQDGIDRJU-GOSISDBHSA-N 0 0 382.485 3.168 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000146288981 1417714412 /nfs/dbraw/zinc/71/44/12/1417714412.db2.gz ZLDJIOJSIDGWEO-MRXNPFEDSA-N 0 0 397.406 3.065 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000146485736 1417720955 /nfs/dbraw/zinc/72/09/55/1417720955.db2.gz ALBBPSAVPAIDLK-UYAOXDASSA-N 0 0 391.427 3.069 20 30 GGEDRN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCC(C#N)CC2)c1 ZINC000147046066 1417737140 /nfs/dbraw/zinc/73/71/40/1417737140.db2.gz UJWZNNFBNSGSOY-UHFFFAOYSA-N 0 0 397.500 3.480 20 30 GGEDRN CCCCN1C(=O)C[C@@H](C(=O)N2CCC(C#N)CC2)[C@@H]1c1ccc(OC)cc1 ZINC000147078333 1417738508 /nfs/dbraw/zinc/73/85/08/1417738508.db2.gz KLXAAZQATRMKKT-CTNGQTDRSA-N 0 0 383.492 3.147 20 30 GGEDRN N#CC1CCN(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)CC1 ZINC000147165647 1417740263 /nfs/dbraw/zinc/74/02/63/1417740263.db2.gz WCQXLUNRJLMQSA-UHFFFAOYSA-N 0 0 381.505 3.058 20 30 GGEDRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N2CCC(C#N)CC2)cc1 ZINC000147233622 1417742464 /nfs/dbraw/zinc/74/24/64/1417742464.db2.gz CSTBYWYOBZEJOA-CALCHBBNSA-N 0 0 383.492 3.231 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000178875646 1429206393 /nfs/dbraw/zinc/20/63/93/1429206393.db2.gz DEPBFINKLQGTOF-OALUTQOASA-N 0 0 388.464 3.283 20 30 GGEDRN CCCC[C@@H](NC(N)=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C ZINC000147539336 1417749122 /nfs/dbraw/zinc/74/91/22/1417749122.db2.gz NIHMBNBVALDNRV-QGZVFWFLSA-N 0 0 381.436 3.220 20 30 GGEDRN COc1cc(OC)c(OC)cc1/C=C/C(=O)c1nnn(-c2ccccc2)c1C ZINC000147686785 1417751922 /nfs/dbraw/zinc/75/19/22/1417751922.db2.gz BZQDUAKCIQLRAO-ZHACJKMWSA-N 0 0 379.416 3.498 20 30 GGEDRN CCCC[C@@H](NC(N)=O)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000148171188 1417760060 /nfs/dbraw/zinc/76/00/60/1417760060.db2.gz XMZSEQXVYACGPE-HXUWFJFHSA-N 0 0 396.466 3.453 20 30 GGEDRN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N(C)C[C@H](C)C#N ZINC000148234196 1417760825 /nfs/dbraw/zinc/76/08/25/1417760825.db2.gz DWJSJQWXDWSBRT-CYBMUJFWSA-N 0 0 389.452 3.167 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)NCCCOc2c(C)cccc2C)c1 ZINC000148929213 1417769657 /nfs/dbraw/zinc/76/96/57/1417769657.db2.gz IAIBUFVPAYQURX-UHFFFAOYSA-N 0 0 382.460 3.392 20 30 GGEDRN N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000178878924 1429208711 /nfs/dbraw/zinc/20/87/11/1429208711.db2.gz UPZMBGRPEQUQPH-KRWDZBQOSA-N 0 0 381.819 3.193 20 30 GGEDRN N#CCCn1cc(C(=O)NCc2cccs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000149774398 1417780053 /nfs/dbraw/zinc/78/00/53/1417780053.db2.gz NLOCZECFNCODAB-UHFFFAOYSA-N 0 0 381.417 3.363 20 30 GGEDRN N#CCCn1cc(C(=O)NCCc2cccs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000149845156 1417781146 /nfs/dbraw/zinc/78/11/46/1417781146.db2.gz XFMIWAQTKBQUIR-UHFFFAOYSA-N 0 0 395.444 3.406 20 30 GGEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2nccn2C)cc1C ZINC000149893496 1417781294 /nfs/dbraw/zinc/78/12/94/1417781294.db2.gz JWNMHBWOFPCWTO-UHFFFAOYSA-N 0 0 376.464 3.086 20 30 GGEDRN COc1ccc(CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cn1 ZINC000150008982 1417783519 /nfs/dbraw/zinc/78/35/19/1417783519.db2.gz AHYHPWYPIFSFJO-UHFFFAOYSA-N 0 0 389.459 3.414 20 30 GGEDRN CCN(CCC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1c(F)cccc1F ZINC000150091670 1417784578 /nfs/dbraw/zinc/78/45/78/1417784578.db2.gz JKLTXOZWWNQIFY-UHFFFAOYSA-N 0 0 386.402 3.126 20 30 GGEDRN N#CCCn1cc(C(=O)NCc2cccc(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000150159012 1417785945 /nfs/dbraw/zinc/78/59/45/1417785945.db2.gz WWEWDUGNQKILEM-UHFFFAOYSA-N 0 0 393.378 3.441 20 30 GGEDRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(F)cc1C#N ZINC000150693323 1417788729 /nfs/dbraw/zinc/78/87/29/1417788729.db2.gz ALJYVPSMVDLUGT-LJQANCHMSA-N 0 0 382.370 3.004 20 30 GGEDRN COc1ccc(C(C)(C)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 ZINC000150689534 1417788758 /nfs/dbraw/zinc/78/87/58/1417788758.db2.gz BBHQEYPTFBXHNY-UHFFFAOYSA-N 0 0 375.432 3.123 20 30 GGEDRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(F)cc1C#N ZINC000150693320 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GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)n1 ZINC000179499602 1429397500 /nfs/dbraw/zinc/39/75/00/1429397500.db2.gz WDSIMNMGNIEMRB-GUYCJALGSA-N 0 0 395.463 3.182 20 30 GGEDRN C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000179503084 1429398792 /nfs/dbraw/zinc/39/87/92/1429398792.db2.gz KHJNENRNGNGGMT-GFCCVEGCSA-N 0 0 387.871 3.321 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000179504750 1429399526 /nfs/dbraw/zinc/39/95/26/1429399526.db2.gz GXCXNTPYVBUIRQ-MRXNPFEDSA-N 0 0 399.882 3.465 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C)nc1Br ZINC000179512829 1429403369 /nfs/dbraw/zinc/40/33/69/1429403369.db2.gz DSSRIQXUQHXOQQ-UHFFFAOYSA-N 0 0 388.265 3.306 20 30 GGEDRN CCN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000179506655 1429400925 /nfs/dbraw/zinc/40/09/25/1429400925.db2.gz XGEVCEXJERIIPM-UHFFFAOYSA-N 0 0 387.871 3.150 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)c1ccc(OCC(F)F)nc1 ZINC000179517680 1429405913 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Cc1sc(NC(=O)CN[C@@H](CN2CCCC2=O)c2ccccc2)c(C#N)c1C ZINC000179563571 1429435905 /nfs/dbraw/zinc/43/59/05/1429435905.db2.gz TZDRNEMFIZICTO-SFHVURJKSA-N 0 0 396.516 3.128 20 30 GGEDRN Cc1ncsc1CN(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000179572204 1429442695 /nfs/dbraw/zinc/44/26/95/1429442695.db2.gz MZWRBNIHCCSLSI-UHFFFAOYSA-N 0 0 385.493 3.250 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N(Cc2ccccc2)CC2CCC2)n1 ZINC000179573091 1429442863 /nfs/dbraw/zinc/44/28/63/1429442863.db2.gz UIBKGDCGSJHZDF-UHFFFAOYSA-N 0 0 379.464 3.103 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)N3CCOC4(CCCCC4)C3)CC2)nc1 ZINC000179579605 1429449766 /nfs/dbraw/zinc/44/97/66/1429449766.db2.gz YAJZIHZGBIIDBH-UHFFFAOYSA-N 0 0 398.507 3.388 20 30 GGEDRN Cc1ccc([C@H](CNC(=O)c2ccc(C#N)cc2)NC(=O)c2ccc(C#N)cc2)o1 ZINC000179585553 1429453990 /nfs/dbraw/zinc/45/39/90/1429453990.db2.gz MHLSERCBMVQDDI-FQEVSTJZSA-N 0 0 398.422 3.232 20 30 GGEDRN Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)cc2)NC(=O)c2ccc(C#N)cc2)o1 ZINC000179585544 1429454036 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20 30 GGEDRN CSCC[C@H](C)N(C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000153025908 1422331387 /nfs/dbraw/zinc/33/13/87/1422331387.db2.gz DJENEDDTAXOLNK-GOEBONIOSA-N 0 0 378.517 3.449 20 30 GGEDRN CC(C)c1ccc([C@@H]2CCCN2C(=O)CCNC(=O)C2N=CC=CC2=O)cc1 ZINC000153034187 1422333967 /nfs/dbraw/zinc/33/39/67/1422333967.db2.gz KBTXUXVCMKXSDP-ZREAOVPFSA-N 0 0 381.476 3.390 20 30 GGEDRN CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823953861 1429549314 /nfs/dbraw/zinc/54/93/14/1429549314.db2.gz SSHSVLVBOPDPKJ-OAHLLOKOSA-N 0 0 396.886 3.225 20 30 GGEDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN(CCC#N)Cc2ccco2)c1 ZINC000153083977 1422351075 /nfs/dbraw/zinc/35/10/75/1422351075.db2.gz LPLJCJCYYIXOAC-HXUWFJFHSA-N 0 0 397.475 3.376 20 30 GGEDRN CCOC(=O)C(C)(C)n1cc(NC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000153091536 1422352979 /nfs/dbraw/zinc/35/29/79/1422352979.db2.gz VLYRHNFWIWSIIU-UHFFFAOYSA-N 0 0 375.816 3.350 20 30 GGEDRN C=CCn1c(C2CC2)nnc1S(=O)(=O)Cc1nc(-c2cccs2)oc1C ZINC000153103751 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GGEDRN CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000153183443 1422384048 /nfs/dbraw/zinc/38/40/48/1422384048.db2.gz INKLMJUMUUBHOF-UZLBHIALSA-N 0 0 375.444 3.497 20 30 GGEDRN CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000153183174 1422384056 /nfs/dbraw/zinc/38/40/56/1422384056.db2.gz INKLMJUMUUBHOF-OXJNMPFZSA-N 0 0 375.444 3.497 20 30 GGEDRN N#CCC[C@@H](NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1)c1ccccc1 ZINC000153189596 1422386437 /nfs/dbraw/zinc/38/64/37/1422386437.db2.gz MWPLYQMSTZYQAG-HXUWFJFHSA-N 0 0 393.491 3.107 20 30 GGEDRN CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N2CCC(C#N)CC2)c1 ZINC000153188257 1422387043 /nfs/dbraw/zinc/38/70/43/1422387043.db2.gz HNADRHFCLQIMSM-HNNXBMFYSA-N 0 0 392.525 3.062 20 30 GGEDRN N#CCC[C@H](NC(=O)CSCc1cc(=O)n2ccsc2n1)c1ccccc1 ZINC000153219536 1422398358 /nfs/dbraw/zinc/39/83/58/1422398358.db2.gz JKWRQWYMMFSLFO-INIZCTEOSA-N 0 0 398.513 3.150 20 30 GGEDRN CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N(CC)CCC#N)c1 ZINC000153226206 1422401811 /nfs/dbraw/zinc/40/18/11/1422401811.db2.gz ZLPOQPABFBGMSV-HNNXBMFYSA-N 0 0 380.514 3.062 20 30 GGEDRN N#CCC[C@H](NC(=O)CS(=O)(=O)CCCc1ccccc1)c1ccccc1 ZINC000153229791 1422404715 /nfs/dbraw/zinc/40/47/15/1422404715.db2.gz ZPPUNHJVTFCVRB-FQEVSTJZSA-N 0 0 384.501 3.195 20 30 GGEDRN COc1cc2c(cc1CNC(=O)CSCc1ccc(C#N)cc1)O[C@H](C)C2 ZINC000153231359 1422406041 /nfs/dbraw/zinc/40/60/41/1422406041.db2.gz CCIUKPRUGWNQSL-CQSZACIVSA-N 0 0 382.485 3.440 20 30 GGEDRN COCCN(C(=O)c1c(F)cc(C#N)cc1F)c1ccc(OC)c(OC)c1 ZINC000153240468 1422412237 /nfs/dbraw/zinc/41/22/37/1422412237.db2.gz ZXOLOKHSXPJKSU-UHFFFAOYSA-N 0 0 376.359 3.147 20 30 GGEDRN CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N(C)[C@@H](C)CC#N)c1 ZINC000153245079 1422414847 /nfs/dbraw/zinc/41/48/47/1422414847.db2.gz UJLOYXNFLNWODP-CABCVRRESA-N 0 0 380.514 3.060 20 30 GGEDRN CC(=O)N1CC[C@H](CN(C)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000153249496 1422417033 /nfs/dbraw/zinc/41/70/33/1422417033.db2.gz VTDFJCOLRWTFGF-OAQYLSRUSA-N 0 0 375.472 3.419 20 30 GGEDRN CC(=O)N1CC[C@@H](CN(C)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000153249608 1422417385 /nfs/dbraw/zinc/41/73/85/1422417385.db2.gz VTDFJCOLRWTFGF-NRFANRHFSA-N 0 0 375.472 3.419 20 30 GGEDRN C=C[C@@H](CC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000153250216 1422418421 /nfs/dbraw/zinc/41/84/21/1422418421.db2.gz MFHPBABIHPYYKT-IBGZPJMESA-N 0 0 378.472 3.386 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)[C@H](C)CS(=O)(=O)c1ccc(F)cc1 ZINC000153251980 1422419289 /nfs/dbraw/zinc/41/92/89/1422419289.db2.gz VWKMQIMGXNVRDO-CYBMUJFWSA-N 0 0 393.411 3.025 20 30 GGEDRN Cc1ccccc1Nc1nc(CN(C)CCCc2[nH]nc(N)c2C#N)cs1 ZINC000153257483 1422423324 /nfs/dbraw/zinc/42/33/24/1422423324.db2.gz KKTOLXGETMOUID-UHFFFAOYSA-N 0 0 381.509 3.437 20 30 GGEDRN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCC[C@@H]2C[C@@H](C)O)c1C#N ZINC000153271809 1422431311 /nfs/dbraw/zinc/43/13/11/1422431311.db2.gz UDSMWXIPZYBGDR-OXQOHEQNSA-N 0 0 394.519 3.199 20 30 GGEDRN CCc1cc(=O)oc2cc(OC[C@H](O)COc3ccc(CC#N)cc3)ccc12 ZINC000153276412 1422433982 /nfs/dbraw/zinc/43/39/82/1422433982.db2.gz NKXCISJEIWHEOC-QGZVFWFLSA-N 0 0 379.412 3.240 20 30 GGEDRN CC1(C)Cc2[nH]c(=O)c(C(=O)N[C@H](CCC#N)c3ccccc3)cc2C(=O)C1 ZINC000153275953 1422434021 /nfs/dbraw/zinc/43/40/21/1422434021.db2.gz YZZIZFFVDOJAKS-QGZVFWFLSA-N 0 0 377.444 3.305 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000153294687 1422447106 /nfs/dbraw/zinc/44/71/06/1422447106.db2.gz WDJCLIVXUILFQI-FQEVSTJZSA-N 0 0 399.516 3.492 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)n1 ZINC000179781011 1429559450 /nfs/dbraw/zinc/55/94/50/1429559450.db2.gz AVOGGNWYROKPNW-OAUYIBNBSA-N 0 0 399.882 3.441 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)n1 ZINC000179781038 1429559761 /nfs/dbraw/zinc/55/97/61/1429559761.db2.gz AVOGGNWYROKPNW-CSMYWGQOSA-N 0 0 399.882 3.441 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)CSc1nc2ccccc2nc1N1CCCC1 ZINC000153324889 1422470292 /nfs/dbraw/zinc/47/02/92/1422470292.db2.gz 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C=CCNC(=O)c1ccccc1NCC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000153360308 1422492013 /nfs/dbraw/zinc/49/20/13/1422492013.db2.gz PGBMEXOGUHUHFD-UHFFFAOYSA-N 0 0 395.381 3.198 20 30 GGEDRN Cc1ccc([C@@H](C)NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1[N+](=O)[O-] ZINC000153372171 1422502420 /nfs/dbraw/zinc/50/24/20/1422502420.db2.gz HIDUTDSGNPNCSR-CQSZACIVSA-N 0 0 380.404 3.309 20 30 GGEDRN C#CCOc1ccc(C(=O)N[C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000153386059 1422508380 /nfs/dbraw/zinc/50/83/80/1422508380.db2.gz RJKDHYKXLFOUHE-KRWDZBQOSA-N 0 0 391.471 3.056 20 30 GGEDRN CCCNC(=O)CSc1nn(CN(CC#N)C2CCCC2)c(=S)s1 ZINC000153387359 1422510065 /nfs/dbraw/zinc/51/00/65/1422510065.db2.gz UKSJQMBDUQIORY-UHFFFAOYSA-N 0 0 385.584 3.018 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)CC2)c(F)c1 ZINC000153390774 1422510954 /nfs/dbraw/zinc/51/09/54/1422510954.db2.gz XWLCSQLNVRPLNK-HZPDHXFCSA-N 0 0 385.389 3.428 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3c3cccc(F)c3F)CC2)c(F)c1 ZINC000153390467 1422511050 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C#CCOc1ccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000155202862 1423241887 /nfs/dbraw/zinc/24/18/87/1423241887.db2.gz BSOJFMMZPUZGMD-UHFFFAOYSA-N 0 0 381.819 3.375 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155203491 1423242879 /nfs/dbraw/zinc/24/28/79/1423242879.db2.gz UQBKZYPXLSGOPM-UHFFFAOYSA-N 0 0 380.335 3.184 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)CSCC(=O)Nc1cccc(C)c1 ZINC000155211416 1423248691 /nfs/dbraw/zinc/24/86/91/1423248691.db2.gz SQZIASKPZYWZJJ-UHFFFAOYSA-N 0 0 386.448 3.457 20 30 GGEDRN C=C(C)COc1ccc(F)cc1C(=O)c1cc(C#N)c(=O)n(CCCOC)c1 ZINC000179889913 1429626437 /nfs/dbraw/zinc/62/64/37/1429626437.db2.gz ADTDTHRHGVTXDO-UHFFFAOYSA-N 0 0 384.407 3.081 20 30 GGEDRN C=CCc1ccccc1OS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000179900357 1429631465 /nfs/dbraw/zinc/63/14/65/1429631465.db2.gz FLXLAEUMYMREMY-UHFFFAOYSA-N 0 0 392.907 3.301 20 30 GGEDRN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(C)no1 ZINC000155226282 1423258200 /nfs/dbraw/zinc/25/82/00/1423258200.db2.gz 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GGEDRN Cc1cccc(Cl)c1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000155300185 1423307355 /nfs/dbraw/zinc/30/73/55/1423307355.db2.gz SEYWYQAWTDKMHP-INIZCTEOSA-N 0 0 396.834 3.364 20 30 GGEDRN CCOc1cccc(-c2nnc(SCc3ccc(C#N)cc3OC)n2N)c1 ZINC000155302391 1423308521 /nfs/dbraw/zinc/30/85/21/1423308521.db2.gz QQBTXLSGELOZLT-UHFFFAOYSA-N 0 0 381.461 3.230 20 30 GGEDRN Cc1nc(C#N)c(C#N)n1Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000155302624 1423308956 /nfs/dbraw/zinc/30/89/56/1423308956.db2.gz OYHAHECNQXRBCO-UHFFFAOYSA-N 0 0 376.441 3.124 20 30 GGEDRN Cc1ccc(C)c([C@@H]2CCCN2C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)c1 ZINC000179887839 1429625707 /nfs/dbraw/zinc/62/57/07/1429625707.db2.gz IPWYGVVBLPHENO-SFHVURJKSA-N 0 0 379.464 3.255 20 30 GGEDRN C=CCn1c(SCC(=O)c2ccc3c(c2)CCC(=O)N3C)nnc1C1CC1 ZINC000155325811 1423318083 /nfs/dbraw/zinc/31/80/83/1423318083.db2.gz YIANHMVPBKYCCR-UHFFFAOYSA-N 0 0 382.489 3.226 20 30 GGEDRN N#Cc1ccc([C@H](C(N)=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000155328340 1423320200 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C=CCOc1ccccc1CNC(=O)C[C@@H](NC(C)=O)c1ccc(F)cc1F ZINC000155346734 1423327608 /nfs/dbraw/zinc/32/76/08/1423327608.db2.gz RTAMEBGLNGTWLL-LJQANCHMSA-N 0 0 388.414 3.413 20 30 GGEDRN CCN(CC(=O)Nc1sc(C)c(C)c1C#N)C[C@@H]1COc2ccccc2O1 ZINC000155360370 1423331400 /nfs/dbraw/zinc/33/14/00/1423331400.db2.gz YHAOQIGFWUVWGB-OAHLLOKOSA-N 0 0 385.489 3.337 20 30 GGEDRN C=CCCOCCNC(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1 ZINC000155360482 1423331670 /nfs/dbraw/zinc/33/16/70/1423331670.db2.gz FOHFXBKOHOALLK-UHFFFAOYSA-N 0 0 388.537 3.233 20 30 GGEDRN CC1(CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)Cc2ccccc2C1 ZINC000179904240 1429633047 /nfs/dbraw/zinc/63/30/47/1429633047.db2.gz XURYKFWRPLXMKS-UHFFFAOYSA-N 0 0 391.471 3.229 20 30 GGEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000155360817 1423332733 /nfs/dbraw/zinc/33/27/33/1423332733.db2.gz CQTVMXIADNXEPW-IBGZPJMESA-N 0 0 379.460 3.363 20 30 GGEDRN C=CCn1c(-c2ccc(C)cc2)nn(CN2CCC[C@@H](CNC(C)=O)C2)c1=S ZINC000155364468 1423334124 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3.126 20 30 GGEDRN N#C[C@@H]1CC[C@H](OC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 ZINC000179906941 1429634847 /nfs/dbraw/zinc/63/48/47/1429634847.db2.gz HJEISXHTOZZGQR-AEFFLSMTSA-N 0 0 384.457 3.014 20 30 GGEDRN N#Cc1ccc(CSCC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000155429421 1423359604 /nfs/dbraw/zinc/35/96/04/1423359604.db2.gz KBHCCDMKICEMJE-SFTDATJTSA-N 0 0 396.512 3.143 20 30 GGEDRN CS(=O)(=O)c1ccc(NC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000155443278 1423365752 /nfs/dbraw/zinc/36/57/52/1423365752.db2.gz XVPKEDKQMMKABA-MRXNPFEDSA-N 0 0 397.481 3.459 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000155450765 1423370052 /nfs/dbraw/zinc/37/00/52/1423370052.db2.gz LPHAWGCQCUVMSW-UYAOXDASSA-N 0 0 395.434 3.059 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1C#N ZINC000155451529 1423370140 /nfs/dbraw/zinc/37/01/40/1423370140.db2.gz BQOPBXOCGSETTK-PXNSSMCTSA-N 0 0 395.434 3.059 20 30 GGEDRN CC(C)Cc1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc(=O)[nH]1 ZINC000179910872 1429636090 /nfs/dbraw/zinc/63/60/90/1429636090.db2.gz FMIMPKWLNSICAN-UHFFFAOYSA-N 0 0 378.476 3.210 20 30 GGEDRN Cc1cccc2c(O)c(C(=O)N3CCN(c4cccc(F)c4C#N)CC3)cnc12 ZINC000155469110 1423376948 /nfs/dbraw/zinc/37/69/48/1423376948.db2.gz KWNWEEDKCOZMQI-UHFFFAOYSA-N 0 0 390.418 3.222 20 30 GGEDRN COCCC1(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=N)CCCC1 ZINC000155468462 1423376972 /nfs/dbraw/zinc/37/69/72/1423376972.db2.gz KDJUWNNCWSUKMM-UHFFFAOYSA-N 0 0 382.508 3.243 20 30 GGEDRN N#Cc1ccc(C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)cc1Cl ZINC000155469535 1423377947 /nfs/dbraw/zinc/37/79/47/1423377947.db2.gz LSIAFNLUPVDHDV-LJQANCHMSA-N 0 0 387.842 3.154 20 30 GGEDRN C#Cc1cccc(N(CC)C(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)c1 ZINC000155476002 1423380256 /nfs/dbraw/zinc/38/02/56/1423380256.db2.gz JPCDKDYERZZLPF-JOCHJYFZSA-N 0 0 391.446 3.389 20 30 GGEDRN COc1cc(NCc2ccccc2C(C)(C)C#N)ccc1S(=O)(=O)N(C)C ZINC000155478694 1423381341 /nfs/dbraw/zinc/38/13/41/1423381341.db2.gz JOLDGZXDIPUYTG-UHFFFAOYSA-N 0 0 387.505 3.359 20 30 GGEDRN CCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1cccnc1 ZINC000155485622 1423382844 /nfs/dbraw/zinc/38/28/44/1423382844.db2.gz VMKZZKVJDCORJL-CYBMUJFWSA-N 0 0 378.461 3.351 20 30 GGEDRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C1(C#N)CCCCC1 ZINC000155488483 1423383883 /nfs/dbraw/zinc/38/38/83/1423383883.db2.gz WNROLBXNTUMSBG-UHFFFAOYSA-N 0 0 390.383 3.401 20 30 GGEDRN Cc1cc(C)n(Cc2cccc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)c2)n1 ZINC000155496329 1423386377 /nfs/dbraw/zinc/38/63/77/1423386377.db2.gz JVZSQKSUJYQJAK-LJQANCHMSA-N 0 0 388.475 3.356 20 30 GGEDRN Cn1cc(CN2CCN(Cc3cccc(F)c3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179922924 1429643051 /nfs/dbraw/zinc/64/30/51/1429643051.db2.gz VDAWWTOMZWAJEV-UHFFFAOYSA-N 0 0 389.478 3.416 20 30 GGEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CCCC[C@H]2O)cc1C ZINC000155501189 1423389783 /nfs/dbraw/zinc/38/97/83/1423389783.db2.gz IABRMZNQUNKQIR-AZUAARDMSA-N 0 0 380.492 3.362 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C[C@H](C)c2c(C)noc2C)cc1 ZINC000155510655 1423393099 /nfs/dbraw/zinc/39/30/99/1423393099.db2.gz DQRQIARWCFHNNU-ZDUSSCGKSA-N 0 0 391.493 3.230 20 30 GGEDRN N#Cc1ccc(C(=O)NCC(=O)NC2(c3ccc(F)cc3F)CCCC2)cc1 ZINC000155522484 1423398908 /nfs/dbraw/zinc/39/89/08/1423398908.db2.gz HSDHZYOIJPYANV-UHFFFAOYSA-N 0 0 383.398 3.152 20 30 GGEDRN CC[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)c1c(C)noc1C ZINC000155534922 1423404833 /nfs/dbraw/zinc/40/48/33/1423404833.db2.gz SIKNKKOBNYDFJN-KRWDZBQOSA-N 0 0 384.436 3.180 20 30 GGEDRN CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000155539897 1423407950 /nfs/dbraw/zinc/40/79/50/1423407950.db2.gz VHEQJLZHFDVUPO-BBRMVZONSA-N 0 0 395.297 3.193 20 30 GGEDRN Cc1ccc(-n2nnnc2S[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000179918085 1429639854 /nfs/dbraw/zinc/63/98/54/1429639854.db2.gz YZDQCYXKEDQCHK-GOSISDBHSA-N 0 0 390.472 3.130 20 30 GGEDRN Cc1cccc(-n2nnnc2S[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000179918134 1429639904 /nfs/dbraw/zinc/63/99/04/1429639904.db2.gz AILAJGJJJSFYEJ-SFHVURJKSA-N 0 0 390.472 3.130 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1csc(-c2ccc(F)cc2)n1 ZINC000155562709 1423419092 /nfs/dbraw/zinc/41/90/92/1423419092.db2.gz KPDHLSDWWQJOCF-CQSZACIVSA-N 0 0 394.479 3.322 20 30 GGEDRN C=CCSc1ccccc1NC(=O)CNC(C)(C)C(=O)NCC(C)(C)C ZINC000155562354 1423419375 /nfs/dbraw/zinc/41/93/75/1423419375.db2.gz KWSGOIBIKGAVIJ-UHFFFAOYSA-N 0 0 377.554 3.434 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1csc(Cc2ccccc2)n1 ZINC000155576848 1423427618 /nfs/dbraw/zinc/42/76/18/1423427618.db2.gz FKDOEZKXOFJAMJ-MRXNPFEDSA-N 0 0 390.516 3.106 20 30 GGEDRN CC[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)c1c(C)noc1C ZINC000155582624 1423430886 /nfs/dbraw/zinc/43/08/86/1423430886.db2.gz YFJIYVUIDLBUHN-OAHLLOKOSA-N 0 0 384.436 3.156 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccccc1Oc1ccccc1 ZINC000155588630 1423433942 /nfs/dbraw/zinc/43/39/42/1423433942.db2.gz IHWXGNMIKOOOIC-KRWDZBQOSA-N 0 0 399.454 3.491 20 30 GGEDRN CCc1ncc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 ZINC000155591216 1423434927 /nfs/dbraw/zinc/43/49/27/1423434927.db2.gz FAGUEUYIDFPKBG-UHFFFAOYSA-N 0 0 392.419 3.014 20 30 GGEDRN NC(Cc1cccnc1)=NOCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000179920405 1429641348 /nfs/dbraw/zinc/64/13/48/1429641348.db2.gz YYKNSBBBUSDRSA-OAQYLSRUSA-N 0 0 384.455 3.100 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1sccc1-c1ccccc1 ZINC000155598022 1423437328 /nfs/dbraw/zinc/43/73/28/1423437328.db2.gz GMLGHEVVFADXPN-HNNXBMFYSA-N 0 0 389.484 3.428 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(C)(C)c1cccc(Cl)c1 ZINC000155601554 1423439169 /nfs/dbraw/zinc/43/91/69/1423439169.db2.gz DSSIFTNJUUSQKG-AWEZNQCLSA-N 0 0 383.883 3.017 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](Sc3nccn3Cc3ccccn3)C2=O)cc1 ZINC000179919543 1429641668 /nfs/dbraw/zinc/64/16/68/1429641668.db2.gz SSZWSNXDPRKIHS-IBGZPJMESA-N 0 0 389.484 3.486 20 30 GGEDRN N#CCSc1cccc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000155604582 1423441123 /nfs/dbraw/zinc/44/11/23/1423441123.db2.gz NYFATLDBDFESIC-ICSRJNTNSA-N 0 0 382.485 3.267 20 30 GGEDRN CCO[C@H](C)c1nccn1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000155606634 1423442558 /nfs/dbraw/zinc/44/25/58/1423442558.db2.gz IFKBFLCUQZRXCW-CQSZACIVSA-N 0 0 379.382 3.167 20 30 GGEDRN Cc1cccc(S(=O)(=O)Oc2ccc(C#N)cc2[N+](=O)[O-])c1Br ZINC000155606850 1423442730 /nfs/dbraw/zinc/44/27/30/1423442730.db2.gz SBNOXGQKBFICJE-UHFFFAOYSA-N 0 0 397.206 3.305 20 30 GGEDRN N#Cc1ccccc1COc1cccc(C(=O)N2CCC(n3ccnn3)CC2)c1 ZINC000155609881 1423443597 /nfs/dbraw/zinc/44/35/97/1423443597.db2.gz DUMIFVXCBYLPBE-UHFFFAOYSA-N 0 0 387.443 3.206 20 30 GGEDRN Cc1cn(-c2ccccc2Cl)nc1C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000155609838 1423444044 /nfs/dbraw/zinc/44/40/44/1423444044.db2.gz QTCUIOOTLHEANB-CYBMUJFWSA-N 0 0 379.807 3.190 20 30 GGEDRN CCCc1c(C(=O)N2CCN(c3ccccc3C#N)CC2)[nH]c(C)c1C(C)=O ZINC000155608708 1423444163 /nfs/dbraw/zinc/44/41/63/1423444163.db2.gz CUZTVINHZKWTRV-UHFFFAOYSA-N 0 0 378.476 3.312 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1(c2cccc(F)c2)CCCC1 ZINC000155612823 1423446404 /nfs/dbraw/zinc/44/64/04/1423446404.db2.gz PKUNGBWVMBZZQP-INIZCTEOSA-N 0 0 393.466 3.036 20 30 GGEDRN CC(C)c1ccc(C[C@@H](C)NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)cc1 ZINC000179922674 1429642287 /nfs/dbraw/zinc/64/22/87/1429642287.db2.gz FXNCHNWSWATCFR-OAHLLOKOSA-N 0 0 381.480 3.145 20 30 GGEDRN CC(C)c1ccc(C[C@@H](C)NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 ZINC000179922783 1429642342 /nfs/dbraw/zinc/64/23/42/1429642342.db2.gz HEEWUIXNADGUDW-OAHLLOKOSA-N 0 0 395.507 3.319 20 30 GGEDRN Cc1ccc(-c2nc(CC(=O)N3CCN(c4ccccc4C#N)CC3)cs2)o1 ZINC000155615338 1423446861 /nfs/dbraw/zinc/44/68/61/1423446861.db2.gz JSMPIMYSMZMPFM-UHFFFAOYSA-N 0 0 392.484 3.475 20 30 GGEDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000155624172 1423451949 /nfs/dbraw/zinc/45/19/49/1423451949.db2.gz ZUBLHSZBVFDOMM-OAHLLOKOSA-N 0 0 396.472 3.296 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000155622762 1423452355 /nfs/dbraw/zinc/45/23/55/1423452355.db2.gz GVWDUTWHJONDJW-AWEZNQCLSA-N 0 0 383.883 3.017 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000155622640 1423452686 /nfs/dbraw/zinc/45/26/86/1423452686.db2.gz GVWDUTWHJONDJW-CQSZACIVSA-N 0 0 383.883 3.017 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3o2)CC1 ZINC000155625794 1423453568 /nfs/dbraw/zinc/45/35/68/1423453568.db2.gz BJZJNNSRRZACLN-UHFFFAOYSA-N 0 0 378.457 3.140 20 30 GGEDRN CC[C@@H](C)c1ccc(NC(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 ZINC000155629800 1423455648 /nfs/dbraw/zinc/45/56/48/1423455648.db2.gz FMSOUTWYVWFVLI-SJORKVTESA-N 0 0 392.507 3.011 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CCC(C)(C)c3ccccc32)n1 ZINC000179924147 1429643852 /nfs/dbraw/zinc/64/38/52/1429643852.db2.gz BOIIMULJWWPGLG-HNNXBMFYSA-N 0 0 393.491 3.246 20 30 GGEDRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)O[C@@H]2CC[C@H](C#N)C2)c1 ZINC000179924770 1429644001 /nfs/dbraw/zinc/64/40/01/1429644001.db2.gz DJKWTRNJYUNEAF-MAUKXSAKSA-N 0 0 390.505 3.489 20 30 GGEDRN N#Cc1ccc(C(=O)NCC(=O)N[C@@H](c2cccc(F)c2)C2CCCC2)cc1 ZINC000155636456 1423460429 /nfs/dbraw/zinc/46/04/29/1423460429.db2.gz MQJQLZXOJVCALX-OAQYLSRUSA-N 0 0 379.435 3.475 20 30 GGEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)O[C@H]2CC[C@H](C#N)C2)CC1 ZINC000179926105 1429644401 /nfs/dbraw/zinc/64/44/01/1429644401.db2.gz WSEYPBNPOCHIHP-ZFWWWQNUSA-N 0 0 380.404 3.258 20 30 GGEDRN C#CCOCCC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000155642512 1423464111 /nfs/dbraw/zinc/46/41/11/1423464111.db2.gz PEBCYONGGWFIHC-UHFFFAOYSA-N 0 0 376.865 3.310 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1cccc(OCC(F)(F)F)c1 ZINC000155642260 1423464211 /nfs/dbraw/zinc/46/42/11/1423464211.db2.gz IGBZAGBUGQLJGF-CQSZACIVSA-N 0 0 391.397 3.000 20 30 GGEDRN COc1cc(F)c(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1F ZINC000155667452 1423477326 /nfs/dbraw/zinc/47/73/26/1423477326.db2.gz MYMCQVKFQNFQEJ-UHFFFAOYSA-N 0 0 387.390 3.031 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N2CCSC[C@@H]2c2ccccc2)ccc1Cl ZINC000155669105 1423478191 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GGEDRN CC(C)CO[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000156213464 1423729810 /nfs/dbraw/zinc/72/98/10/1423729810.db2.gz BSBSTOVNYQIUSS-ROUUACIJSA-N 0 0 388.487 3.123 20 30 GGEDRN C=C(C)Cn1c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc1-c1ccncc1 ZINC000156222965 1423733517 /nfs/dbraw/zinc/73/35/17/1423733517.db2.gz BPPBUYBRFWUIHG-YWZLYKJASA-N 0 0 398.536 3.451 20 30 GGEDRN CCCc1[nH]nc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1[N+](=O)[O-] ZINC000156223846 1423733608 /nfs/dbraw/zinc/73/36/08/1423733608.db2.gz ICNWEZWTXIEKLZ-UHFFFAOYSA-N 0 0 397.313 3.335 20 30 GGEDRN C=C(C)Cn1c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc1-c1ccncc1 ZINC000156222772 1423733845 /nfs/dbraw/zinc/73/38/45/1423733845.db2.gz BPPBUYBRFWUIHG-QRWLVFNGSA-N 0 0 398.536 3.451 20 30 GGEDRN COc1ccc([C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C(C)C)cc1 ZINC000156236473 1423737552 /nfs/dbraw/zinc/73/75/52/1423737552.db2.gz JBUIKGNUAUIZNO-GOSISDBHSA-N 0 0 389.433 3.151 20 30 GGEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCC(=O)NCC(F)(F)F)cc1 ZINC000156240315 1423739440 /nfs/dbraw/zinc/73/94/40/1423739440.db2.gz YFGNSWCNLXNRKH-UHFFFAOYSA-N 0 0 391.349 3.067 20 30 GGEDRN Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)c1cccc(C)c1C#N ZINC000156246530 1423741508 /nfs/dbraw/zinc/74/15/08/1423741508.db2.gz ZTQVYRJFCXFUCL-UHFFFAOYSA-N 0 0 394.500 3.207 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](Nc3cccc(N4CCOC4=O)c3)C2=O)cc1 ZINC000179970591 1429668618 /nfs/dbraw/zinc/66/86/18/1429668618.db2.gz KJXVQCKVQZEWAH-IBGZPJMESA-N 0 0 376.416 3.122 20 30 GGEDRN CCc1cc2c(C)cc(=O)oc2cc1OS(=O)(=O)c1ccc(F)cc1C#N ZINC000156308203 1423769184 /nfs/dbraw/zinc/76/91/84/1423769184.db2.gz YZQSSYADOOERKM-UHFFFAOYSA-N 0 0 387.388 3.442 20 30 GGEDRN N#C[C@H]1CN(C(=O)C[C@H](O)c2ccc(Cl)cc2)CCN1Cc1ccccc1 ZINC000179973483 1429670345 /nfs/dbraw/zinc/67/03/45/1429670345.db2.gz IURXHBRNTUYLTF-PMACEKPBSA-N 0 0 383.879 3.000 20 30 GGEDRN C#CCNC(=O)[C@@H](C)Sc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 ZINC000156318669 1423775632 /nfs/dbraw/zinc/77/56/32/1423775632.db2.gz WDPBXTWZAJTBSG-MRXNPFEDSA-N 0 0 376.485 3.473 20 30 GGEDRN COc1cc([C@@H](C#N)NC(=O)c2ccc(F)c(Cl)c2)cc(OC)c1OC ZINC000156323751 1423778423 /nfs/dbraw/zinc/77/84/23/1423778423.db2.gz KGHLLIBLMCLVSY-CQSZACIVSA-N 0 0 378.787 3.500 20 30 GGEDRN C#CCCCCNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000156328344 1423780939 /nfs/dbraw/zinc/78/09/39/1423780939.db2.gz QDICEAAZCRZQFJ-UHFFFAOYSA-N 0 0 389.546 3.016 20 30 GGEDRN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000156330656 1423782086 /nfs/dbraw/zinc/78/20/86/1423782086.db2.gz JSVZHAPJZNVXNK-UHFFFAOYSA-N 0 0 386.839 3.114 20 30 GGEDRN Cc1cc(C(=O)NCCOc2ccc(C#N)cc2)nn1-c1ccc(F)cc1F ZINC000156331278 1423783618 /nfs/dbraw/zinc/78/36/18/1423783618.db2.gz JRRKCJTXWIRAFW-UHFFFAOYSA-N 0 0 382.370 3.139 20 30 GGEDRN C#CCCCCNC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O ZINC000156336069 1423786077 /nfs/dbraw/zinc/78/60/77/1423786077.db2.gz MLCSCOXFLQYEIV-UHFFFAOYSA-N 0 0 377.366 3.093 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](Nc3ccc(N4CCOC4=O)cc3)C2=O)cc1 ZINC000179977193 1429671488 /nfs/dbraw/zinc/67/14/88/1429671488.db2.gz HEBFFJVKEZWNBH-LJQANCHMSA-N 0 0 376.416 3.122 20 30 GGEDRN C#CCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000156352666 1423793842 /nfs/dbraw/zinc/79/38/42/1423793842.db2.gz MZJUEKIMGYJAQL-HNNXBMFYSA-N 0 0 378.419 3.060 20 30 GGEDRN CN(CC#Cc1cccc(Cl)c1)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000156353199 1423794090 /nfs/dbraw/zinc/79/40/90/1423794090.db2.gz MMPSSYGKGPABQS-UHFFFAOYSA-N 0 0 391.920 3.496 20 30 GGEDRN C=CCC[C@H](NC(=O)NCc1cccnc1N1CCOCC1)c1ccccc1 ZINC000156356921 1423794807 /nfs/dbraw/zinc/79/48/07/1423794807.db2.gz SJDQUZTTYGRSGM-FQEVSTJZSA-N 0 0 380.492 3.425 20 30 GGEDRN CO[C@H](C)C(=O)Nc1cccc(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000179979233 1429672188 /nfs/dbraw/zinc/67/21/88/1429672188.db2.gz NXTMABLPVIPNDB-QRWLVFNGSA-N 0 0 392.459 3.139 20 30 GGEDRN CC[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)Oc1cccc(C)c1 ZINC000156364933 1423799742 /nfs/dbraw/zinc/79/97/42/1423799742.db2.gz VGZJVAAVTQVCKT-OAHLLOKOSA-N 0 0 385.851 3.432 20 30 GGEDRN N#Cc1cccc(NC(=O)N2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000156378793 1423801803 /nfs/dbraw/zinc/80/18/03/1423801803.db2.gz XXJWFGXYQKXHJF-MRXNPFEDSA-N 0 0 388.349 3.282 20 30 GGEDRN CN(CCC1CC1)C(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000156380510 1423802442 /nfs/dbraw/zinc/80/24/42/1423802442.db2.gz ZTJSNFGFHSMUPW-UHFFFAOYSA-N 0 0 392.525 3.201 20 30 GGEDRN CN(CCC1CC1)C(=O)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1 ZINC000156389317 1423803658 /nfs/dbraw/zinc/80/36/58/1423803658.db2.gz AJQNYKFBUKSVNK-UHFFFAOYSA-N 0 0 392.525 3.201 20 30 GGEDRN C[C@](O)(CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1cccs1 ZINC000156402314 1423806108 /nfs/dbraw/zinc/80/61/08/1423806108.db2.gz KXXLQPRKNNQIAL-FQEVSTJZSA-N 0 0 382.441 3.429 20 30 GGEDRN C#CCCCCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 ZINC000156415825 1423807764 /nfs/dbraw/zinc/80/77/64/1423807764.db2.gz WSSRXYZCPLNAKE-QGZVFWFLSA-N 0 0 384.501 3.259 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)N[C@@H](C)c2cccnc2)nnc1-c1ccco1 ZINC000156448653 1423811631 /nfs/dbraw/zinc/81/16/31/1423811631.db2.gz URVVWCUXVLPPSA-AWEZNQCLSA-N 0 0 383.477 3.479 20 30 GGEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000156460334 1423813236 /nfs/dbraw/zinc/81/32/36/1423813236.db2.gz WYJDXRHLSPZNLC-CYBMUJFWSA-N 0 0 393.421 3.121 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C[C@@H](NC(C)=O)c1c(F)cccc1F ZINC000156470397 1423814313 /nfs/dbraw/zinc/81/43/13/1423814313.db2.gz SJARJYRTJDOYLZ-QGZVFWFLSA-N 0 0 390.361 3.322 20 30 GGEDRN COCOc1ccc(OC)cc1CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000156486007 1423816906 /nfs/dbraw/zinc/81/69/06/1423816906.db2.gz JFUOQSHIOLMZGH-OAQYLSRUSA-N 0 0 381.476 3.060 20 30 GGEDRN C#CCCCCNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000156494466 1423818670 /nfs/dbraw/zinc/81/86/70/1423818670.db2.gz HSWSQZJWXPRMKN-UHFFFAOYSA-N 0 0 391.500 3.341 20 30 GGEDRN C#CCCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000156496187 1423818739 /nfs/dbraw/zinc/81/87/39/1423818739.db2.gz DRNVMGRPERUJGV-UHFFFAOYSA-N 0 0 384.501 3.353 20 30 GGEDRN Cc1c(CCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cnn1C ZINC000156498759 1423819059 /nfs/dbraw/zinc/81/90/59/1423819059.db2.gz KNYGGAWDOFDRFB-UHFFFAOYSA-N 0 0 387.443 3.424 20 30 GGEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)NC2(c3cccc(F)c3)CC2)cc1 ZINC000156498107 1423819106 /nfs/dbraw/zinc/81/91/06/1423819106.db2.gz ZPHOSKDJHLWAAZ-UHFFFAOYSA-N 0 0 386.448 3.322 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)NCc1ccnc(OCc2ccccc2)c1 ZINC000156497483 1423819116 /nfs/dbraw/zinc/81/91/16/1423819116.db2.gz RVCDLPKUWSSYJC-UHFFFAOYSA-N 0 0 397.431 3.150 20 30 GGEDRN Cc1cccc(S(=O)(=O)NCc2cccc(OCc3ccccn3)c2)c1C#N ZINC000156507722 1423820226 /nfs/dbraw/zinc/82/02/26/1423820226.db2.gz NMAWTOSPANCXMY-UHFFFAOYSA-N 0 0 393.468 3.319 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)CCc1c(C)nc2cc(C)nn2c1C ZINC000156511073 1423821278 /nfs/dbraw/zinc/82/12/78/1423821278.db2.gz OXCHFZKENVSJKN-UHFFFAOYSA-N 0 0 380.423 3.377 20 30 GGEDRN N#Cc1cccc(CNC(=O)C(=O)Nc2cccc(N3CCCCCC3)c2)c1 ZINC000156512952 1423821601 /nfs/dbraw/zinc/82/16/01/1423821601.db2.gz PTGKBIANIQSIDA-UHFFFAOYSA-N 0 0 376.460 3.194 20 30 GGEDRN N#Cc1cccc(OCCCCC(=O)NCc2nnc(C3CC3)n2C2CC2)c1 ZINC000156517015 1423821904 /nfs/dbraw/zinc/82/19/04/1423821904.db2.gz REBVCYACPKVDBH-UHFFFAOYSA-N 0 0 379.464 3.228 20 30 GGEDRN Cc1oc(NC(=O)[C@@H](C)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000156517150 1423821973 /nfs/dbraw/zinc/82/19/73/1423821973.db2.gz QNKFOWTYYNUZDJ-HIFRSBDPSA-N 0 0 375.469 3.149 20 30 GGEDRN CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cccc(C)c1C(=O)OC ZINC000156524354 1423822870 /nfs/dbraw/zinc/82/28/70/1423822870.db2.gz GZGRSDUTAZZVMW-HNNXBMFYSA-N 0 0 386.473 3.425 20 30 GGEDRN CCN(C(=O)[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(C#N)c(Cl)c1 ZINC000156531693 1423823984 /nfs/dbraw/zinc/82/39/84/1423823984.db2.gz GLCHRHLPTCHEHM-HXUWFJFHSA-N 0 0 383.879 3.466 20 30 GGEDRN CCN(C(=O)CSc1nnnn1C1CCCC1)c1ccc(C#N)c(Cl)c1 ZINC000156534888 1423824217 /nfs/dbraw/zinc/82/42/17/1423824217.db2.gz XHXVKCDTZLWZQL-UHFFFAOYSA-N 0 0 390.900 3.458 20 30 GGEDRN CC[C@H](C)C(=O)Nc1cccc(CNS(=O)(=O)c2ccc(F)cc2C#N)c1 ZINC000156556819 1423827794 /nfs/dbraw/zinc/82/77/94/1423827794.db2.gz LFVRPJGTJIJATL-ZDUSSCGKSA-N 0 0 389.452 3.160 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC000156564865 1423829031 /nfs/dbraw/zinc/82/90/31/1423829031.db2.gz GRACTHDKPWNCKT-IBGZPJMESA-N 0 0 399.476 3.326 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)Oc1cccc(NC(=O)C2CC2)c1 ZINC000156563650 1423829147 /nfs/dbraw/zinc/82/91/47/1423829147.db2.gz GVJGIMJNFKBNDS-UHFFFAOYSA-N 0 0 376.821 3.328 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F ZINC000156564379 1423829179 /nfs/dbraw/zinc/82/91/79/1423829179.db2.gz QYXULXXDYNNXGC-KRWDZBQOSA-N 0 0 390.361 3.322 20 30 GGEDRN N#CCCn1cc(CN2CCN(c3ccc(C#N)cn3)CC2)c(-c2ccccc2)n1 ZINC000179986025 1429675504 /nfs/dbraw/zinc/67/55/04/1429675504.db2.gz NBLAIYNOECDPIX-UHFFFAOYSA-N 0 0 397.486 3.053 20 30 GGEDRN C#CCCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000156569903 1423829839 /nfs/dbraw/zinc/82/98/39/1423829839.db2.gz QLFRUCMBSVGXIY-UHFFFAOYSA-N 0 0 388.464 3.468 20 30 GGEDRN Cc1cc(=O)c(C(=O)N[C@@](C)(C#N)CCc2ccccc2)nn1-c1ccccc1 ZINC000156578827 1423831454 /nfs/dbraw/zinc/83/14/54/1423831454.db2.gz BWAXAVUOCSGVAE-HSZRJFAPSA-N 0 0 386.455 3.186 20 30 GGEDRN Cc1cc(=O)c(C(=O)N[C@](C)(C#N)CCc2ccccc2)nn1-c1ccccc1 ZINC000156578701 1423831688 /nfs/dbraw/zinc/83/16/88/1423831688.db2.gz BWAXAVUOCSGVAE-QHCPKHFHSA-N 0 0 386.455 3.186 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](Sc3nnc(-c4ccncc4)o3)C2=O)cc1 ZINC000179985461 1429675580 /nfs/dbraw/zinc/67/55/80/1429675580.db2.gz LWYRYMSJHICCOH-INIZCTEOSA-N 0 0 377.429 3.291 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000156582181 1423831997 /nfs/dbraw/zinc/83/19/97/1423831997.db2.gz KONWIJKCIIMMNS-UHFFFAOYSA-N 0 0 397.374 3.015 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)CSc1nncn1-c1ccc(C)cc1 ZINC000156594989 1423833408 /nfs/dbraw/zinc/83/34/08/1423833408.db2.gz YCFPCABPEPEVEK-UHFFFAOYSA-N 0 0 396.447 3.458 20 30 GGEDRN 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399.476 3.220 20 30 GGEDRN C=CCn1c(SCC(=O)NC(=O)NCC(C)C)nnc1-c1ccccc1C ZINC000158106219 1424168953 /nfs/dbraw/zinc/16/89/53/1424168953.db2.gz UWINJYVWIUEVKK-UHFFFAOYSA-N 0 0 387.509 3.013 20 30 GGEDRN C=CCC[C@H](NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1ccccc1 ZINC000158124632 1424172886 /nfs/dbraw/zinc/17/28/86/1424172886.db2.gz ZGCXNFGHKKYIAC-SFHVURJKSA-N 0 0 387.505 3.237 20 30 GGEDRN C=CCn1c(S[C@H](C)C(=O)NC(=O)NC(C)C)nnc1-c1ccccc1C ZINC000158125453 1424173092 /nfs/dbraw/zinc/17/30/92/1424173092.db2.gz RQEIBBJDKWVNIA-CQSZACIVSA-N 0 0 387.509 3.154 20 30 GGEDRN C=CCn1c(SCC(=O)Nc2cc(C)nn2C)nnc1-c1ccccc1C ZINC000158142627 1424177634 /nfs/dbraw/zinc/17/76/34/1424177634.db2.gz WUQMDFRNUGYRDP-UHFFFAOYSA-N 0 0 382.493 3.212 20 30 GGEDRN CCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000158174099 1424186774 /nfs/dbraw/zinc/18/67/74/1424186774.db2.gz RLQLQSNXBBUYGS-QOCHGBHMSA-N 0 0 385.489 3.314 20 30 GGEDRN C=CCn1c(SCCCS(=O)(=O)C(C)C)nnc1-c1ccc(OC)cc1 ZINC000158178391 1424187900 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C=CCOc1cccc(NC(=O)C(=O)N(C)Cc2nc(-c3ccccc3)c[nH]2)c1 ZINC000158349996 1424233342 /nfs/dbraw/zinc/23/33/42/1424233342.db2.gz JKSPEXIZWNNTIW-UHFFFAOYSA-N 0 0 390.443 3.239 20 30 GGEDRN CC1(C)[C@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@@H]2CCO[C@@H]21 ZINC000158372471 1424239262 /nfs/dbraw/zinc/23/92/62/1424239262.db2.gz NFPRDWJGQOLDBU-CFVMTHIKSA-N 0 0 383.370 3.434 20 30 GGEDRN COc1ccccc1Cc1nnc(SCC(=O)Nc2ccc(C#N)cc2)o1 ZINC000158381364 1424240760 /nfs/dbraw/zinc/24/07/60/1424240760.db2.gz FKQJKDKEHNBFJO-UHFFFAOYSA-N 0 0 380.429 3.271 20 30 GGEDRN C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000158386144 1424241875 /nfs/dbraw/zinc/24/18/75/1424241875.db2.gz HIJCORWRTHBFOH-YWZLYKJASA-N 0 0 397.450 3.435 20 30 GGEDRN CCCCCCCCN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000158389886 1424242674 /nfs/dbraw/zinc/24/26/74/1424242674.db2.gz NEQKNSIKLKNAFL-UHFFFAOYSA-N 0 0 380.554 3.208 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000180045504 1429711163 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N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](CC(N)=O)C3)cc2)cc1 ZINC000158654744 1424311123 /nfs/dbraw/zinc/31/11/23/1424311123.db2.gz OBLJZIDLTCWGHA-MRXNPFEDSA-N 0 0 378.432 3.470 20 30 GGEDRN CN1c2ccc(S(=O)(=O)OCC(F)(F)C(F)F)c3cccc(c23)C1=O ZINC000158665290 1424313742 /nfs/dbraw/zinc/31/37/42/1424313742.db2.gz IVORSXLHJSFURG-UHFFFAOYSA-N 0 0 377.315 3.036 20 30 GGEDRN Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(Oc3ccc(C#N)cc3C)cc1)CC2 ZINC000158696668 1424322561 /nfs/dbraw/zinc/32/25/61/1424322561.db2.gz XJJACSAORSMHEG-GOSISDBHSA-N 0 0 387.443 3.304 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000158710204 1424324037 /nfs/dbraw/zinc/32/40/37/1424324037.db2.gz WPJZXKNKMIMXEV-UHFFFAOYSA-N 0 0 391.452 3.122 20 30 GGEDRN Cc1ccccc1C(=O)NC1CCN(C(=O)CSc2cccc(C#N)c2)CC1 ZINC000158711464 1424324649 /nfs/dbraw/zinc/32/46/49/1424324649.db2.gz QDIZBLCUMYDNPC-UHFFFAOYSA-N 0 0 393.512 3.380 20 30 GGEDRN CCCC[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCC1 ZINC000158718922 1424325923 /nfs/dbraw/zinc/32/59/23/1424325923.db2.gz CRVVACMGPSARBP-MOPGFXCFSA-N 0 0 396.491 3.238 20 30 GGEDRN C=C(Br)CNC(=O)NCc1cccc(OCC)c1OC(F)F ZINC000158727247 1424328609 /nfs/dbraw/zinc/32/86/09/1424328609.db2.gz OAVOLKAVVAQHRJ-UHFFFAOYSA-N 0 0 379.201 3.395 20 30 GGEDRN CC(C)C(=O)NCCCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000158728045 1424328681 /nfs/dbraw/zinc/32/86/81/1424328681.db2.gz PKZDEJAYTDAJAL-UHFFFAOYSA-N 0 0 383.423 3.382 20 30 GGEDRN CC(C)C(=O)NCCCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000158729857 1424329188 /nfs/dbraw/zinc/32/91/88/1424329188.db2.gz KBTZNNYTFPNJPD-UHFFFAOYSA-N 0 0 379.460 3.029 20 30 GGEDRN COc1ccc(-n2ccc(CNC(=O)Nc3ccccc3O[C@H](C)C#N)n2)cc1 ZINC000180058495 1429717991 /nfs/dbraw/zinc/71/79/91/1429717991.db2.gz QHDJILPAIOSJOF-OAHLLOKOSA-N 0 0 391.431 3.493 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000180059970 1429717995 /nfs/dbraw/zinc/71/79/95/1429717995.db2.gz VMJWPFNXFBHBTM-UHFFFAOYSA-N 0 0 394.424 3.428 20 30 GGEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(-n2cccn2)cc1 ZINC000180060232 1429718002 /nfs/dbraw/zinc/71/80/02/1429718002.db2.gz RMSWKATZFDFHDD-ZDUSSCGKSA-N 0 0 386.864 3.437 20 30 GGEDRN CC(C)CCn1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1 ZINC000158744439 1424332314 /nfs/dbraw/zinc/33/23/14/1424332314.db2.gz MHTGKZXPBSYOSG-GFCCVEGCSA-N 0 0 377.807 3.078 20 30 GGEDRN C=CCn1c(SCCCNC(=O)C(F)(F)F)nnc1-c1ccc(F)cc1 ZINC000158745004 1424332389 /nfs/dbraw/zinc/33/23/89/1424332389.db2.gz VFHOVDNCQCYTSC-UHFFFAOYSA-N 0 0 388.390 3.431 20 30 GGEDRN COc1ccc(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC000158745115 1424332493 /nfs/dbraw/zinc/33/24/93/1424332493.db2.gz XMAHMRBCMKXUPK-UHFFFAOYSA-N 0 0 384.379 3.406 20 30 GGEDRN C#C[C@@H](C)OC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 ZINC000180058765 1429718164 /nfs/dbraw/zinc/71/81/64/1429718164.db2.gz OXUPQWSDAMTYKQ-OAHLLOKOSA-N 0 0 383.411 3.115 20 30 GGEDRN CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000158759120 1424335434 /nfs/dbraw/zinc/33/54/34/1424335434.db2.gz CBFDGLQFXIFNJP-GUYCJALGSA-N 0 0 383.408 3.042 20 30 GGEDRN N#Cc1cccc(SCC(=O)NCc2ccccc2CN2CCCC2=O)c1 ZINC000158757055 1424335599 /nfs/dbraw/zinc/33/55/99/1424335599.db2.gz NHJZZMLOMJTNOL-UHFFFAOYSA-N 0 0 379.485 3.089 20 30 GGEDRN C#C[C@H](C)OC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 ZINC000180058752 1429718325 /nfs/dbraw/zinc/71/83/25/1429718325.db2.gz OXUPQWSDAMTYKQ-HNNXBMFYSA-N 0 0 383.411 3.115 20 30 GGEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@@H]1c1ccncc1 ZINC000158763291 1424336980 /nfs/dbraw/zinc/33/69/80/1424336980.db2.gz CEYGAGCACGQRTH-OAHLLOKOSA-N 0 0 381.379 3.498 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000158778764 1424339508 /nfs/dbraw/zinc/33/95/08/1424339508.db2.gz WKDKKVRTIUHOJY-UHFFFAOYSA-N 0 0 393.535 3.312 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](O)c1ccc2ccccc2c1 ZINC000158792083 1424342889 /nfs/dbraw/zinc/34/28/89/1424342889.db2.gz IXZUFPCDVQLLQD-GOSISDBHSA-N 0 0 386.860 3.377 20 30 GGEDRN C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H](O)Cc1ccccc1 ZINC000158808088 1424347939 /nfs/dbraw/zinc/34/79/39/1424347939.db2.gz GNOKTAHNJHNROA-LRDDRELGSA-N 0 0 375.375 3.273 20 30 GGEDRN Cc1c(NC(=O)[C@@H](C)Sc2cccc(C#N)c2)c(=O)n(-c2ccccc2)n1C ZINC000158812462 1424348836 /nfs/dbraw/zinc/34/88/36/1424348836.db2.gz NXJNEINWMXTMIE-OAHLLOKOSA-N 0 0 392.484 3.475 20 30 GGEDRN C#CCOc1ccc(C(=O)NCCCc2nnc(SC)n2CC(C)C)cc1 ZINC000158820678 1424350242 /nfs/dbraw/zinc/35/02/42/1424350242.db2.gz JGZNWZKEFQDHKN-UHFFFAOYSA-N 0 0 386.521 3.031 20 30 GGEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H]2CCCc3c2cnn3C)c1 ZINC000158835916 1424353382 /nfs/dbraw/zinc/35/33/82/1424353382.db2.gz MOGNKKCZOHHMPZ-APWZRJJASA-N 0 0 381.480 3.320 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000158862084 1424359579 /nfs/dbraw/zinc/35/95/79/1424359579.db2.gz LAFYPMUTKXQFJK-INIZCTEOSA-N 0 0 392.507 3.066 20 30 GGEDRN CCCC(C#N)(CCC)NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O ZINC000180065212 1429721237 /nfs/dbraw/zinc/72/12/37/1429721237.db2.gz ZNXJKFNBGFOVOO-AWEZNQCLSA-N 0 0 377.510 3.125 20 30 GGEDRN COC(=O)C1=C(C(C)=O)[C@H](c2cccc(-c3ccc(C)cc3)c2)NC(=S)N1 ZINC000158912888 1424370873 /nfs/dbraw/zinc/37/08/73/1424370873.db2.gz SYIPVNYOBMLSNL-SFHVURJKSA-N 0 0 380.469 3.197 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000180065050 1429721404 /nfs/dbraw/zinc/72/14/04/1429721404.db2.gz TUKTWWGVACSJEP-YOEHRIQHSA-N 0 0 396.422 3.434 20 30 GGEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000158926739 1424374699 /nfs/dbraw/zinc/37/46/99/1424374699.db2.gz AZWPUPKGBFXEIK-UHFFFAOYSA-N 0 0 375.432 3.189 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1cccc(-n2cccn2)c1 ZINC000180065283 1429721898 /nfs/dbraw/zinc/72/18/98/1429721898.db2.gz DONNRLWTCZDTAW-CYBMUJFWSA-N 0 0 386.864 3.437 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc2ccccc21 ZINC000158941788 1424377791 /nfs/dbraw/zinc/37/77/91/1424377791.db2.gz NSWIXEQOIKJEIJ-CQSZACIVSA-N 0 0 379.441 3.017 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000158943564 1424378740 /nfs/dbraw/zinc/37/87/40/1424378740.db2.gz UASDMYDFOYSKFJ-UHFFFAOYSA-N 0 0 380.335 3.184 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)Cc1c(C)nn(CC(F)(F)F)c1C ZINC000158943890 1424378918 /nfs/dbraw/zinc/37/89/18/1424378918.db2.gz FIAXVESZMBSMTC-UHFFFAOYSA-N 0 0 383.345 3.395 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)N2CCn3c(nnc3C(F)(F)F)C2)c1 ZINC000158957220 1424381408 /nfs/dbraw/zinc/38/14/08/1424381408.db2.gz SMOGQSIVPQWWRS-UHFFFAOYSA-N 0 0 381.358 3.300 20 30 GGEDRN N#C[C@H]1CN(Cn2nc(-c3ccc(F)cc3)n(Cc3ccco3)c2=S)CCO1 ZINC000158956915 1424381442 /nfs/dbraw/zinc/38/14/42/1424381442.db2.gz NLOPUGJPXFMJEC-KRWDZBQOSA-N 0 0 399.451 3.043 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000158957381 1424381498 /nfs/dbraw/zinc/38/14/98/1424381498.db2.gz KECHUYSOJLRQJI-UHFFFAOYSA-N 0 0 380.335 3.184 20 30 GGEDRN C#CCCCCNC(=O)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1 ZINC000158959185 1424381700 /nfs/dbraw/zinc/38/17/00/1424381700.db2.gz LKIVRIXTRGJOHI-UHFFFAOYSA-N 0 0 375.472 3.108 20 30 GGEDRN C#CCCCCNC(=O)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000158972966 1424384618 /nfs/dbraw/zinc/38/46/18/1424384618.db2.gz YBNGLFMVHMMZRY-UHFFFAOYSA-N 0 0 378.432 3.189 20 30 GGEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(CO)n2C2CC2)c1 ZINC000158985995 1424388240 /nfs/dbraw/zinc/38/82/40/1424388240.db2.gz POVSQXHRUTYXRB-OAHLLOKOSA-N 0 0 399.520 3.150 20 30 GGEDRN N#Cc1cccc(OCc2ccoc2C(=O)NC[C@]2(O)CCc3ccccc32)c1 ZINC000159002712 1424392085 /nfs/dbraw/zinc/39/20/85/1424392085.db2.gz JHVAEGQPVOXOGA-HSZRJFAPSA-N 0 0 388.423 3.294 20 30 GGEDRN N#Cc1cccc(OCc2ccoc2C(=O)NC[C@@]2(O)CCc3ccccc32)c1 ZINC000159002568 1424392311 /nfs/dbraw/zinc/39/23/11/1424392311.db2.gz JHVAEGQPVOXOGA-QHCPKHFHSA-N 0 0 388.423 3.294 20 30 GGEDRN Cc1cccc([C@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)c2ccccn2)c1 ZINC000159046114 1424403868 /nfs/dbraw/zinc/40/38/68/1424403868.db2.gz BHYVEDUSVJKTEQ-FQEVSTJZSA-N 0 0 388.402 3.245 20 30 GGEDRN N#C[C@@H](COC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)Cc1cccs1 ZINC000180070887 1429723809 /nfs/dbraw/zinc/72/38/09/1429723809.db2.gz RWHKCSCHWOEZGS-ZDUSSCGKSA-N 0 0 382.401 3.381 20 30 GGEDRN C#CCCCCNC(=O)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C ZINC000159058930 1424407136 /nfs/dbraw/zinc/40/71/36/1424407136.db2.gz MDLDWFZTKZRWOI-UHFFFAOYSA-N 0 0 392.459 3.497 20 30 GGEDRN C=CCn1c2nnc(SCc3c(C)onc3CC)n2c2ccccc2c1=O ZINC000159060872 1424407766 /nfs/dbraw/zinc/40/77/66/1424407766.db2.gz BBGAOHRGIYXLRA-UHFFFAOYSA-N 0 0 381.461 3.381 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000180072164 1429724273 /nfs/dbraw/zinc/72/42/73/1429724273.db2.gz MDRBBTPXFNUHBT-GDBMZVCRSA-N 0 0 378.432 3.184 20 30 GGEDRN N#C[C@H](COC(=O)c1cc(N2CCNC2=O)ccc1Cl)Cc1cccs1 ZINC000180071492 1429724374 /nfs/dbraw/zinc/72/43/74/1429724374.db2.gz VYDOAOCSVCYNGT-GFCCVEGCSA-N 0 0 389.864 3.470 20 30 GGEDRN C#CCCCCNC(=O)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000159096539 1424416465 /nfs/dbraw/zinc/41/64/65/1424416465.db2.gz PCMFEUKOADKGBZ-UHFFFAOYSA-N 0 0 377.444 3.106 20 30 GGEDRN N#C[C@H](COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)Cc1cccs1 ZINC000180074493 1429725802 /nfs/dbraw/zinc/72/58/02/1429725802.db2.gz AYLDKHLRTSGKLO-LLVKDONJSA-N 0 0 385.413 3.284 20 30 GGEDRN C[C@@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)[C@@H](C)N1CCOCC1 ZINC000159103525 1424418169 /nfs/dbraw/zinc/41/81/69/1424418169.db2.gz YUJMXCKYNNEBQO-IAGOWNOFSA-N 0 0 378.476 3.141 20 30 GGEDRN N#CCc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)cc1 ZINC000159132583 1424424232 /nfs/dbraw/zinc/42/42/32/1424424232.db2.gz WNZRJRJUYAFHPW-QGZVFWFLSA-N 0 0 387.443 3.120 20 30 GGEDRN COc1ccc(-c2nnc(CNC(=O)N[C@@H](CCC#N)c3ccccc3)[nH]2)cc1 ZINC000159135573 1424424959 /nfs/dbraw/zinc/42/49/59/1424424959.db2.gz UNCQOLUNKXVULN-SFHVURJKSA-N 0 0 390.447 3.325 20 30 GGEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)CCOCc3ccccc3)C2)n1 ZINC000159155420 1424430201 /nfs/dbraw/zinc/43/02/01/1424430201.db2.gz VYZNNEMDTYUSTP-NRFANRHFSA-N 0 0 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Cc1cc(C(=O)CN(C)[C@@H](C)CC#N)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000161915191 1424795769 /nfs/dbraw/zinc/79/57/69/1424795769.db2.gz KPLIWMTWXHNSEP-YJBOKZPZSA-N 0 0 381.476 3.362 20 30 GGEDRN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CC)c(S(C)(=O)=O)c2)cc1 ZINC000161946969 1424801999 /nfs/dbraw/zinc/80/19/99/1424801999.db2.gz BNNAKEQZVDSFOX-SFHVURJKSA-N 0 0 398.484 3.176 20 30 GGEDRN COc1ccc(C(NC(=O)CN(C)[C@@H](C)CC#N)c2ccc(OC)cc2)cc1 ZINC000161953623 1424802536 /nfs/dbraw/zinc/80/25/36/1424802536.db2.gz YAHKFGZCRQDCDF-INIZCTEOSA-N 0 0 381.476 3.143 20 30 GGEDRN CC(C)(C)C(=O)NCc1ccc(C(=O)N(CCC#N)Cc2cccnc2)cc1 ZINC000161979421 1424805679 /nfs/dbraw/zinc/80/56/79/1424805679.db2.gz PKJLZCRPCHDHOF-UHFFFAOYSA-N 0 0 378.476 3.300 20 30 GGEDRN COc1cc(CNC(=O)CN(C)[C@H](C)CC#N)ccc1OCc1ccccc1 ZINC000162005174 1424807702 /nfs/dbraw/zinc/80/77/02/1424807702.db2.gz WCJVCLKBIYSSBA-QGZVFWFLSA-N 0 0 381.476 3.124 20 30 GGEDRN CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccn(CCC#N)n1)c1ccccc1 ZINC000162003188 1424807931 /nfs/dbraw/zinc/80/79/31/1424807931.db2.gz NSSINPPLNMKIQS-MRXNPFEDSA-N 0 0 383.452 3.391 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@H](CCO)C2CCCCC2)c(C(F)(F)F)c1 ZINC000162008933 1424808222 /nfs/dbraw/zinc/80/82/22/1424808222.db2.gz GRRXXONKIVYCKD-OAHLLOKOSA-N 0 0 390.427 3.187 20 30 GGEDRN COc1ccc(CS(=O)(=O)Cc2nc(-c3cccc(C)c3)no2)cc1C#N ZINC000162011288 1424808350 /nfs/dbraw/zinc/80/83/50/1424808350.db2.gz SOHMMNHDHPVLDJ-UHFFFAOYSA-N 0 0 383.429 3.040 20 30 GGEDRN CC(C)(C#N)COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000180140078 1429755267 /nfs/dbraw/zinc/75/52/67/1429755267.db2.gz WLUCYNMJGHGXJK-UHFFFAOYSA-N 0 0 394.399 3.472 20 30 GGEDRN CCOC(=O)CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000162066679 1424813170 /nfs/dbraw/zinc/81/31/70/1424813170.db2.gz WFUPRLWSFRLIOZ-HOCLYGCPSA-N 0 0 375.469 3.150 20 30 GGEDRN Cc1cc(CN2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)CC2)on1 ZINC000162110761 1424817278 /nfs/dbraw/zinc/81/72/78/1424817278.db2.gz NCPDWJTWBTUXJL-UHFFFAOYSA-N 0 0 379.382 3.051 20 30 GGEDRN CC[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000162137342 1424818997 /nfs/dbraw/zinc/81/89/97/1424818997.db2.gz SKGOZJCETBELTD-GOSISDBHSA-N 0 0 375.425 3.049 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)c2ccc(N3CCCS3(=O)=O)cc2C)cc1 ZINC000162153693 1424820826 /nfs/dbraw/zinc/82/08/26/1424820826.db2.gz YYVAAXBDTOLFTA-UHFFFAOYSA-N 0 0 397.500 3.404 20 30 GGEDRN CC[C@@](C)(C#N)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000162166413 1424821827 /nfs/dbraw/zinc/82/18/27/1424821827.db2.gz QSJFVFIFOLRYII-SFHVURJKSA-N 0 0 375.425 3.049 20 30 GGEDRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NC2(C#N)CCSCC2)CC1=O ZINC000162178354 1424823504 /nfs/dbraw/zinc/82/35/04/1424823504.db2.gz IWZAEAZIXHHJHF-HZPDHXFCSA-N 0 0 385.533 3.459 20 30 GGEDRN C=C1c2ccccc2C(=O)N1CC(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000162198206 1424825263 /nfs/dbraw/zinc/82/52/63/1424825263.db2.gz BPACQFWQWTXDRH-QGZVFWFLSA-N 0 0 396.244 3.257 20 30 GGEDRN N#CC1(NC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)CCSCC1 ZINC000162217768 1424827321 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3.484 20 30 GGEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000162336961 1424839218 /nfs/dbraw/zinc/83/92/18/1424839218.db2.gz KABQWABPSFMXKP-UHFFFAOYSA-N 0 0 383.423 3.330 20 30 GGEDRN C[C@]1(C(=O)N[C@H](C#N)c2cccc(Br)c2)Cc2ccccc2C(=O)O1 ZINC000162379307 1424843804 /nfs/dbraw/zinc/84/38/04/1424843804.db2.gz ZAWCXSIJYATRLE-VQIMIIECSA-N 0 0 399.244 3.302 20 30 GGEDRN C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@H](O)c1ccc(F)cc1 ZINC000162383312 1424844584 /nfs/dbraw/zinc/84/45/84/1424844584.db2.gz CKMUNPBBCFNWHK-ZHRRBRCNSA-N 0 0 397.450 3.091 20 30 GGEDRN N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC(c2ccccc2)CC1 ZINC000162388979 1424845027 /nfs/dbraw/zinc/84/50/27/1424845027.db2.gz GJTMCBKKONVZGZ-UHFFFAOYSA-N 0 0 381.407 3.073 20 30 GGEDRN CN(C)c1nnc(-c2ccc(NC(=O)N(CCC#N)Cc3ccco3)cc2)o1 ZINC000162412009 1424848361 /nfs/dbraw/zinc/84/83/61/1424848361.db2.gz LHJRCQTYZHTWDQ-UHFFFAOYSA-N 0 0 380.408 3.343 20 30 GGEDRN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2[C@H](C)CCC[C@@H]2CO)c1C#N ZINC000162416270 1424849030 /nfs/dbraw/zinc/84/90/30/1424849030.db2.gz KSMUDDXMAKPNMW-OXQOHEQNSA-N 0 0 394.519 3.199 20 30 GGEDRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NC3(C#N)CCSCC3)C2)c1 ZINC000162421041 1424849214 /nfs/dbraw/zinc/84/92/14/1424849214.db2.gz UKAHTILWVWWQIN-INIZCTEOSA-N 0 0 386.521 3.145 20 30 GGEDRN CCc1ccc(CN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C2CC2)cc1 ZINC000162428799 1424850558 /nfs/dbraw/zinc/85/05/58/1424850558.db2.gz FVSXQWXADGTKLV-UHFFFAOYSA-N 0 0 395.434 3.420 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H]1COc2ccccc21 ZINC000162433836 1424851000 /nfs/dbraw/zinc/85/10/00/1424851000.db2.gz DHXCFYCZPUJBCN-RDTXWAMCSA-N 0 0 377.444 3.107 20 30 GGEDRN CN(C)c1nnc(-c2ccc(NC(=O)NCc3cc(C#N)ccc3F)cc2)o1 ZINC000162436001 1424851557 /nfs/dbraw/zinc/85/15/57/1424851557.db2.gz IGGGZYVPNBYDOX-UHFFFAOYSA-N 0 0 380.383 3.135 20 30 GGEDRN C[C@@H]1C[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)C(=O)N1c1ccccc1 ZINC000162454530 1424854109 /nfs/dbraw/zinc/85/41/09/1424854109.db2.gz AUNSWPACGPSJMN-BEFAXECRSA-N 0 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ZINC000162526206 1424862223 /nfs/dbraw/zinc/86/22/23/1424862223.db2.gz VILHPAOUISXCAP-SFHVURJKSA-N 0 0 396.422 3.205 20 30 GGEDRN N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000162537326 1424863416 /nfs/dbraw/zinc/86/34/16/1424863416.db2.gz KLRUNGAJZFMMKY-SFHVURJKSA-N 0 0 395.434 3.290 20 30 GGEDRN CC(C)C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccccc1 ZINC000162550190 1424865192 /nfs/dbraw/zinc/86/51/92/1424865192.db2.gz DEPSHEUEIXIBPD-HKUYNNGSSA-N 0 0 392.507 3.356 20 30 GGEDRN CNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(OC(F)F)c(F)c2)cc1 ZINC000162553318 1424865413 /nfs/dbraw/zinc/86/54/13/1424865413.db2.gz ZQGIJVVAVWSUES-KRXBUXKQSA-N 0 0 385.363 3.231 20 30 GGEDRN CC(C)(CCC#N)CN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000162554596 1424865673 /nfs/dbraw/zinc/86/56/73/1424865673.db2.gz BGULWMPQQSVEDX-UHFFFAOYSA-N 0 0 399.926 3.338 20 30 GGEDRN CCCCCCC[C@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000162567083 1424867006 /nfs/dbraw/zinc/86/70/06/1424867006.db2.gz HTALRHCLJCMMJS-INIZCTEOSA-N 0 0 387.524 3.366 20 30 GGEDRN C[C@H](CC(=O)N(CCC#N)CCN1CCOCC1)c1ccccc1C(F)(F)F ZINC000162597244 1424870131 /nfs/dbraw/zinc/87/01/31/1424870131.db2.gz WMPIHJBILFWEFQ-MRXNPFEDSA-N 0 0 397.441 3.273 20 30 GGEDRN C[C@@H](CC(=O)N(CCC#N)CCN1CCOCC1)c1ccccc1C(F)(F)F ZINC000162597134 1424870327 /nfs/dbraw/zinc/87/03/27/1424870327.db2.gz WMPIHJBILFWEFQ-INIZCTEOSA-N 0 0 397.441 3.273 20 30 GGEDRN N#CC1(NC(=O)CCCCCNC(=O)NC2CCCCC2)CCSCC1 ZINC000162602216 1424871018 /nfs/dbraw/zinc/87/10/18/1424871018.db2.gz WIZDAACYKNUUPB-UHFFFAOYSA-N 0 0 380.558 3.084 20 30 GGEDRN Cc1c2cc(F)ccc2oc1CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000162646702 1424875072 /nfs/dbraw/zinc/87/50/72/1424875072.db2.gz IMZGZWPEUWZJGA-UHFFFAOYSA-N 0 0 399.353 3.177 20 30 GGEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCN(Cc2ccccn2)CC1 ZINC000162656141 1424875787 /nfs/dbraw/zinc/87/57/87/1424875787.db2.gz MVIHNPXVASTMEK-UHFFFAOYSA-N 0 0 397.482 3.226 20 30 GGEDRN C=CCn1c(-c2ccccn2)nn(CN(C)[C@@H]2CCCc3c2cnn3C)c1=S ZINC000162662752 1424876666 /nfs/dbraw/zinc/87/66/66/1424876666.db2.gz ARVPTGVYEOZRSD-QGZVFWFLSA-N 0 0 395.536 3.362 20 30 GGEDRN CC(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000162674373 1424878512 /nfs/dbraw/zinc/87/85/12/1424878512.db2.gz KVKHYOWJLFJIPS-OALUTQOASA-N 0 0 393.491 3.166 20 30 GGEDRN N#Cc1ccc(OCc2cccc(C(=O)N3CCS[C@H]4COCC[C@H]43)c2)cc1 ZINC000162783817 1424890141 /nfs/dbraw/zinc/89/01/41/1424890141.db2.gz RRLJZJOGHNDLFB-RTWAWAEBSA-N 0 0 394.496 3.484 20 30 GGEDRN CC(C)C[C@@H]1CCCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000162831960 1424894825 /nfs/dbraw/zinc/89/48/25/1424894825.db2.gz SIUMSORNWFURIP-OALUTQOASA-N 0 0 396.491 3.190 20 30 GGEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)cc1 ZINC000162854397 1424896977 /nfs/dbraw/zinc/89/69/77/1424896977.db2.gz OMVJCPYYDADRKW-UHFFFAOYSA-N 0 0 394.456 3.406 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)c1ccccc1 ZINC000162854216 1424897117 /nfs/dbraw/zinc/89/71/17/1424897117.db2.gz 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RQMCSOJBCFEIMP-UONOGXRCSA-N 0 0 389.439 3.401 20 30 GGEDRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N[C@@H](C#N)c2ccccc2Cl)C1 ZINC000172848335 1426217749 /nfs/dbraw/zinc/21/77/49/1426217749.db2.gz YUWROUHAOZQNLG-QAPCUYQASA-N 0 0 390.915 3.489 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000172849805 1426218841 /nfs/dbraw/zinc/21/88/41/1426218841.db2.gz SNAVAODERRGMGW-GJZGRUSLSA-N 0 0 385.389 3.428 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000172851678 1426219632 /nfs/dbraw/zinc/21/96/32/1426219632.db2.gz YXQKQHGZZGQQHS-HXUWFJFHSA-N 0 0 393.487 3.157 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1 ZINC000172856214 1426222666 /nfs/dbraw/zinc/22/26/66/1426222666.db2.gz VYCOYRSWPQIZHQ-FQEVSTJZSA-N 0 0 393.535 3.440 20 30 GGEDRN C=CCOc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)cc1OC ZINC000172859113 1426224420 /nfs/dbraw/zinc/22/44/20/1426224420.db2.gz QJFOMOJIPSFECV-CRAIPNDOSA-N 0 0 380.444 3.184 20 30 GGEDRN C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000172864181 1426228481 /nfs/dbraw/zinc/22/84/81/1426228481.db2.gz KDVOMYWBVXSCLQ-LJQANCHMSA-N 0 0 381.451 3.288 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000172872309 1426232404 /nfs/dbraw/zinc/23/24/04/1426232404.db2.gz VAEJSTPPMGOBDL-GOSISDBHSA-N 0 0 392.459 3.231 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(C(=O)NC)c2)cc1 ZINC000172878796 1426235793 /nfs/dbraw/zinc/23/57/93/1426235793.db2.gz ABUZBVIRMXPJJI-UHFFFAOYSA-N 0 0 377.444 3.113 20 30 GGEDRN COc1ccc([C@@H]2NC(=S)NC(c3ccc(C)cc3)=C2C(C)=O)cc1C#N ZINC000172880884 1426236288 /nfs/dbraw/zinc/23/62/88/1426236288.db2.gz JOUMLVALIPLTBS-FQEVSTJZSA-N 0 0 377.469 3.394 20 30 GGEDRN COc1ccc([C@@H]2NC(=S)NC(c3ccc(F)cc3)=C2C(C)=O)cc1C#N ZINC000172881103 1426236793 /nfs/dbraw/zinc/23/67/93/1426236793.db2.gz PILIOQVZQNAUMN-IBGZPJMESA-N 0 0 381.432 3.225 20 30 GGEDRN COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(F)c2)cc1C#N ZINC000172881077 1426236990 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COCCCOC1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000173651553 1426810941 /nfs/dbraw/zinc/81/09/41/1426810941.db2.gz MBMDDFMGZGKNKN-UHFFFAOYSA-N 0 0 398.425 3.284 20 30 GGEDRN CCC[C@]1(C)CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000173654000 1426811290 /nfs/dbraw/zinc/81/12/90/1426811290.db2.gz IQYKZKLQRPHYKU-PGRDOPGGSA-N 0 0 396.491 3.192 20 30 GGEDRN CCC[C@@]1(C)CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000173654013 1426811296 /nfs/dbraw/zinc/81/12/96/1426811296.db2.gz IQYKZKLQRPHYKU-AVRDEDQJSA-N 0 0 396.491 3.192 20 30 GGEDRN C[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H]1c1ccccc1 ZINC000173675042 1426817555 /nfs/dbraw/zinc/81/75/55/1426817555.db2.gz JBJSNZOYFODPDN-PXAZEXFGSA-N 0 0 385.370 3.318 20 30 GGEDRN C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N(C)Cc1nccn1C(F)F ZINC000173676395 1426818308 /nfs/dbraw/zinc/81/83/08/1426818308.db2.gz MWMIMBFAEUCPCK-ZCFIWIBFSA-N 0 0 398.282 3.433 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](n2ccnc2)Cc2ccccc21 ZINC000173689750 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ZINC000173796015 1426853270 /nfs/dbraw/zinc/85/32/70/1426853270.db2.gz WJQBDYXTFBYUED-UHFFFAOYSA-N 0 0 383.423 3.200 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000173799043 1426854426 /nfs/dbraw/zinc/85/44/26/1426854426.db2.gz OLIDUDWZHZVNOA-IBGZPJMESA-N 0 0 395.434 3.323 20 30 GGEDRN C#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)c1 ZINC000173807180 1426856675 /nfs/dbraw/zinc/85/66/75/1426856675.db2.gz CYTXDUNJLNYJMH-TZIWHRDSSA-N 0 0 376.456 3.199 20 30 GGEDRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000173808784 1426857298 /nfs/dbraw/zinc/85/72/98/1426857298.db2.gz YLUBVQJEHBHPQF-AZUAARDMSA-N 0 0 377.444 3.089 20 30 GGEDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000173808823 1426857344 /nfs/dbraw/zinc/85/73/44/1426857344.db2.gz YLUBVQJEHBHPQF-QUCCMNQESA-N 0 0 377.444 3.089 20 30 GGEDRN CNC(=O)CC1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000173810641 1426857705 /nfs/dbraw/zinc/85/77/05/1426857705.db2.gz FUFPQDYJLSSZSF-UHFFFAOYSA-N 0 0 391.471 3.126 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1 ZINC000173813040 1426858266 /nfs/dbraw/zinc/85/82/66/1426858266.db2.gz KEQLGUXBEHOFCF-UHFFFAOYSA-N 0 0 389.452 3.460 20 30 GGEDRN CCOC(=O)C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)c1ccccc1C ZINC000173815015 1426858663 /nfs/dbraw/zinc/85/86/63/1426858663.db2.gz UPUGGPCBYXBEHY-FQEVSTJZSA-N 0 0 380.444 3.251 20 30 GGEDRN CCCc1ccc([C@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C(C)C)cc1 ZINC000173824263 1426860899 /nfs/dbraw/zinc/86/08/99/1426860899.db2.gz QCNVKCMYYZHRIO-VWKSNAFDSA-N 0 0 383.492 3.369 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2C)cc1 ZINC000173838437 1426866026 /nfs/dbraw/zinc/86/60/26/1426866026.db2.gz BRLQHNRWZZMCKX-IAGOWNOFSA-N 0 0 383.492 3.086 20 30 GGEDRN C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000173839594 1426866212 /nfs/dbraw/zinc/86/62/12/1426866212.db2.gz CQJICTLVNUCJBM-ZIAGYGMSSA-N 0 0 396.422 3.292 20 30 GGEDRN 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COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)Oc1cccc(F)c1 ZINC000173894887 1426883736 /nfs/dbraw/zinc/88/37/36/1426883736.db2.gz KXMWDRNWLFWERH-MRXNPFEDSA-N 0 0 385.439 3.323 20 30 GGEDRN COc1ccc([C@@H]2[C@H](C(=O)[C@@H](C#N)c3nc(C)cs3)CCC(=O)N2C)cc1 ZINC000173897656 1426884003 /nfs/dbraw/zinc/88/40/03/1426884003.db2.gz FDBHWFYEHOAZEL-JFIYKMOQSA-N 0 0 383.473 3.246 20 30 GGEDRN C[C@@H](Nc1cccc(N2CCOC2=O)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000173897566 1426884122 /nfs/dbraw/zinc/88/41/22/1426884122.db2.gz YQLQHYWRTIJHKF-MRXNPFEDSA-N 0 0 378.432 3.390 20 30 GGEDRN COc1ccc([C@@H]2[C@@H](C(=O)[C@H](C#N)c3nc(C)cs3)CCC(=O)N2C)cc1 ZINC000173897666 1426884217 /nfs/dbraw/zinc/88/42/17/1426884217.db2.gz FDBHWFYEHOAZEL-XYJFISCASA-N 0 0 383.473 3.246 20 30 GGEDRN CCOC(=O)[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@H](C)CC ZINC000173897964 1426884699 /nfs/dbraw/zinc/88/46/99/1426884699.db2.gz VQJPOUBAMOWLEK-AUUYWEPGSA-N 0 0 384.432 3.438 20 30 GGEDRN COCCOCc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)ccc1F ZINC000173901578 1426885517 /nfs/dbraw/zinc/88/55/17/1426885517.db2.gz VDWAMJLVCRJOEP-MRXNPFEDSA-N 0 0 381.407 3.365 20 30 GGEDRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc1 ZINC000173901864 1426885679 /nfs/dbraw/zinc/88/56/79/1426885679.db2.gz ZWHUEEBDMLTLFT-XLIONFOSSA-N 0 0 386.455 3.249 20 30 GGEDRN Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000173902908 1426886009 /nfs/dbraw/zinc/88/60/09/1426886009.db2.gz CORDIRCWHUTDCP-GOSISDBHSA-N 0 0 377.492 3.033 20 30 GGEDRN CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C)c1ccc(F)cc1F ZINC000173902353 1426886091 /nfs/dbraw/zinc/88/60/91/1426886091.db2.gz SMJCDTGBUITIQB-QAPCUYQASA-N 0 0 396.397 3.295 20 30 GGEDRN CC1(C)C(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1(C)C ZINC000173908446 1426888079 /nfs/dbraw/zinc/88/80/79/1426888079.db2.gz AFOVCZBZWSNUIM-UHFFFAOYSA-N 0 0 383.471 3.196 20 30 GGEDRN N#CCOc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)cc1 ZINC000173916525 1426891113 /nfs/dbraw/zinc/89/11/13/1426891113.db2.gz NFRRZCLNQXFBJE-UHFFFAOYSA-N 0 0 386.411 3.417 20 30 GGEDRN CC(C)CO[C@@H](C)c1noc(CN(C)Cc2nnc(-c3ccc(C#N)cc3)o2)n1 ZINC000173922681 1426892950 /nfs/dbraw/zinc/89/29/50/1426892950.db2.gz LYFFOEKNVJDCBJ-AWEZNQCLSA-N 0 0 396.451 3.357 20 30 GGEDRN C[C@H](CC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C(=O)c1cccc(F)c1 ZINC000173922639 1426893011 /nfs/dbraw/zinc/89/30/11/1426893011.db2.gz YEZBGOVUHSJQQD-OAHLLOKOSA-N 0 0 397.425 3.394 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H](C)Oc2ccccc2Cl)c1 ZINC000173925418 1426895089 /nfs/dbraw/zinc/89/50/89/1426895089.db2.gz DSRZDNMHODBXGB-CQSZACIVSA-N 0 0 385.851 3.027 20 30 GGEDRN CCN(CC1CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1)C(=O)OC(C)(C)C ZINC000173928150 1426896025 /nfs/dbraw/zinc/89/60/25/1426896025.db2.gz BIGIFAWEVKOJSP-OAQYLSRUSA-N 0 0 394.560 3.010 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)Oc1ccccc1C ZINC000173929806 1426896810 /nfs/dbraw/zinc/89/68/10/1426896810.db2.gz ISFQPZZCUNUCAZ-GOSISDBHSA-N 0 0 381.476 3.492 20 30 GGEDRN CCOCCCNC(=O)C(C#N)=C(O)C=C(C)c1cccc(C(F)(F)F)c1 ZINC000173934284 1426898185 /nfs/dbraw/zinc/89/81/85/1426898185.db2.gz YSMQKIWJEBZMML-ISBHARSQSA-N 0 0 382.382 3.360 20 30 GGEDRN CC(C)OCCCNC(=O)[C@H](C#N)C(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000173940489 1426900761 /nfs/dbraw/zinc/90/07/61/1426900761.db2.gz VINGRFMNRVRMRU-CQSZACIVSA-N 0 0 390.509 3.012 20 30 GGEDRN N#CC(C(=O)CCC(=O)c1ccccc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000173946222 1426903821 /nfs/dbraw/zinc/90/38/21/1426903821.db2.gz SLMASGJCHBFQOC-INIZCTEOSA-N 0 0 386.415 3.037 20 30 GGEDRN CC[C@@H](C)C[C@@H](C)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000173952912 1426906379 /nfs/dbraw/zinc/90/63/79/1426906379.db2.gz ZGMXLDAEOHBZBK-HUUCEWRRSA-N 0 0 385.468 3.463 20 30 GGEDRN Cc1cc(-n2cncn2)ccc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000173953802 1426907443 /nfs/dbraw/zinc/90/74/43/1426907443.db2.gz SRLDDGGIMLVQEV-KRWDZBQOSA-N 0 0 379.807 3.190 20 30 GGEDRN CC(C)c1nn(C)c2sc(C(=O)[C@@H](C#N)C(=O)NCc3ccccc3)cc12 ZINC000173954954 1426908172 /nfs/dbraw/zinc/90/81/72/1426908172.db2.gz NJZOMGLPBDCJHN-OAHLLOKOSA-N 0 0 380.473 3.397 20 30 GGEDRN C[C@H]([NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000820413769 1426911115 /nfs/dbraw/zinc/91/11/15/1426911115.db2.gz VSJPFGNHIWMYPL-RYUDHWBXSA-N 0 0 395.854 3.070 20 30 GGEDRN COCCOCc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)ccc1F ZINC000173963879 1426912860 /nfs/dbraw/zinc/91/28/60/1426912860.db2.gz GVVQJSGKKAOYPG-GOSISDBHSA-N 0 0 384.407 3.258 20 30 GGEDRN CC(C)c1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)nn1-c1ccccc1F ZINC000173965339 1426913687 /nfs/dbraw/zinc/91/36/87/1426913687.db2.gz HQIWRMALCKZQDM-HNNXBMFYSA-N 0 0 391.406 3.491 20 30 GGEDRN CC(=O)N[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1cccc(C)c1)c1ccc(F)cc1F ZINC000173964694 1426913802 /nfs/dbraw/zinc/91/38/02/1426913802.db2.gz XZCIUMSAEXKHPQ-MJGOQNOKSA-N 0 0 399.397 3.188 20 30 GGEDRN CC(C)C(=O)N(C)Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)cc1 ZINC000173965990 1426914079 /nfs/dbraw/zinc/91/40/79/1426914079.db2.gz HOXJBTHSKUDGDF-IBGZPJMESA-N 0 0 377.444 3.262 20 30 GGEDRN COc1ccc(CNC(=O)[C@@H](C#N)C(=O)[C@H](C)CCOc2ccccc2)cc1 ZINC000173968901 1426914699 /nfs/dbraw/zinc/91/46/99/1426914699.db2.gz NVZBMEYSJCGRJR-UZLBHIALSA-N 0 0 380.444 3.125 20 30 GGEDRN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000173969519 1426915728 /nfs/dbraw/zinc/91/57/28/1426915728.db2.gz HIEKKFWVQLEZFE-FQEVSTJZSA-N 0 0 389.455 3.488 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C2CCCCCCC2)cc1OC ZINC000173971281 1426916681 /nfs/dbraw/zinc/91/66/81/1426916681.db2.gz XQYGVLZIWFACMI-GOSISDBHSA-N 0 0 386.492 3.432 20 30 GGEDRN CNC(=O)c1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000173976724 1426920709 /nfs/dbraw/zinc/92/07/09/1426920709.db2.gz DBTHBPMLYGWQNR-ZDUSSCGKSA-N 0 0 390.226 3.314 20 30 GGEDRN C#CCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000173980228 1426923734 /nfs/dbraw/zinc/92/37/34/1426923734.db2.gz XFSMNKBQHLJDBY-INIZCTEOSA-N 0 0 382.803 3.322 20 30 GGEDRN CCCNC(=O)CCCC(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000173980990 1426924494 /nfs/dbraw/zinc/92/44/94/1426924494.db2.gz JNHWIQUKKBQOGD-AWEZNQCLSA-N 0 0 384.263 3.337 20 30 GGEDRN CCCNC(=O)CCCC(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000173980978 1426924857 /nfs/dbraw/zinc/92/48/57/1426924857.db2.gz JNHWIQUKKBQOGD-CQSZACIVSA-N 0 0 384.263 3.337 20 30 GGEDRN CC(C)NC(=O)[C@H](C#N)C(=O)CCc1nc2cc(Br)ccc2s1 ZINC000173981751 1426925310 /nfs/dbraw/zinc/92/53/10/1426925310.db2.gz DCAYHTQNQFSVCI-LLVKDONJSA-N 0 0 394.294 3.225 20 30 GGEDRN Oc1ccc(/C=N/[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(O)c1O ZINC000173990254 1426929470 /nfs/dbraw/zinc/92/94/70/1426929470.db2.gz WBAQGMZBXVCCKV-LKYUAURQSA-N 0 0 378.375 3.493 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000173994789 1426931589 /nfs/dbraw/zinc/93/15/89/1426931589.db2.gz YGXPTMICBRUAOL-FGTMMUONSA-N 0 0 398.409 3.145 20 30 GGEDRN COc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@@H](C)CCc2cccc(F)c2)cc1 ZINC000173996038 1426932228 /nfs/dbraw/zinc/93/22/28/1426932228.db2.gz IEDDOXQDEDUOHF-MGPUTAFESA-N 0 0 382.435 3.428 20 30 GGEDRN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)[C@@H](C)CCc2cccc(F)c2)cc1 ZINC000173995032 1426932428 /nfs/dbraw/zinc/93/24/28/1426932428.db2.gz YMNUBOYECXQFPL-KKSFZXQISA-N 0 0 396.462 3.471 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@H](C)CCc2cccc(F)c2)cc1 ZINC000173995016 1426932958 /nfs/dbraw/zinc/93/29/58/1426932958.db2.gz YMNUBOYECXQFPL-IIBYNOLFSA-N 0 0 396.462 3.471 20 30 GGEDRN COc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@@H](C)CCc2ccccc2F)cc1 ZINC000173996371 1426933791 /nfs/dbraw/zinc/93/37/91/1426933791.db2.gz NXPFTBACZXTRHF-HNAYVOBHSA-N 0 0 382.435 3.428 20 30 GGEDRN CC(C)=CC(=O)NCc1ccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1 ZINC000174008529 1426940541 /nfs/dbraw/zinc/94/05/41/1426940541.db2.gz GFBGGZJDVPXCFR-SFHVURJKSA-N 0 0 391.475 3.077 20 30 GGEDRN CC(C)CC(=O)Nc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cc1F ZINC000174011391 1426942062 /nfs/dbraw/zinc/94/20/62/1426942062.db2.gz OPZVNGZWSMUFBB-CQSZACIVSA-N 0 0 382.395 3.166 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000174022360 1426949524 /nfs/dbraw/zinc/94/95/24/1426949524.db2.gz OJGXXDRPYYHGKS-SFHVURJKSA-N 0 0 375.350 3.259 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](CC)Cc2ccccc2)cc1 ZINC000174023262 1426950404 /nfs/dbraw/zinc/95/04/04/1426950404.db2.gz WUFXFTOGOWVELP-LJQANCHMSA-N 0 0 386.517 3.244 20 30 GGEDRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NCc1cc(C#N)ccc1F ZINC000174026334 1426952994 /nfs/dbraw/zinc/95/29/94/1426952994.db2.gz QGIHTAUSZYWNDC-CYBMUJFWSA-N 0 0 389.452 3.003 20 30 GGEDRN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCc1cc(C#N)ccc1F ZINC000174027902 1426953633 /nfs/dbraw/zinc/95/36/33/1426953633.db2.gz MWHQSMNOCZSLOO-CQSZACIVSA-N 0 0 378.411 3.181 20 30 GGEDRN CCN(CC1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000174034901 1426958041 /nfs/dbraw/zinc/95/80/41/1426958041.db2.gz BDNRGURQAZSRJK-UHFFFAOYSA-N 0 0 398.532 3.189 20 30 GGEDRN C=CCn1c(C)cc(C(=O)CN2CCCN(c3nc(CC)ns3)CC2)c1C ZINC000174045171 1426968302 /nfs/dbraw/zinc/96/83/02/1426968302.db2.gz HRXNFMKUBPHASD-UHFFFAOYSA-N 0 0 387.553 3.100 20 30 GGEDRN C[C@@H](Nc1ccc2c(c1)CCC(=O)N2C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000174058094 1426977907 /nfs/dbraw/zinc/97/79/07/1426977907.db2.gz NAJHNSBCRBVBMY-OAHLLOKOSA-N 0 0 394.450 3.482 20 30 GGEDRN C[C@H](Nc1ccc2c(c1)CCC(=O)N2C)C(=O)N(CCC#N)c1ccccc1 ZINC000174058652 1426978161 /nfs/dbraw/zinc/97/81/61/1426978161.db2.gz KGCUQDMHBNOHDC-INIZCTEOSA-N 0 0 376.460 3.343 20 30 GGEDRN COc1ccc(/C=C2/NC(=S)N(Cc3ccccc3Cl)C2=O)cc1C#N ZINC000174057592 1426978252 /nfs/dbraw/zinc/97/82/52/1426978252.db2.gz ORMIZOIZPWBJKI-CXUHLZMHSA-N 0 0 383.860 3.478 20 30 GGEDRN Cc1cc(=O)c(C(=O)OCC#Cc2ccccc2)nn1-c1cccc(Cl)c1 ZINC000174067201 1426984328 /nfs/dbraw/zinc/98/43/28/1426984328.db2.gz SOZBASSKOKXFOL-UHFFFAOYSA-N 0 0 378.815 3.403 20 30 GGEDRN CCN(C(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O)c1ccc(C#N)cc1 ZINC000174070671 1426986534 /nfs/dbraw/zinc/98/65/34/1426986534.db2.gz PPAYBEYGSHTSCV-QRQCRPRQSA-N 0 0 396.491 3.048 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)cc1 ZINC000174076702 1426989402 /nfs/dbraw/zinc/98/94/02/1426989402.db2.gz DWRIKADIAHZXNM-UHFFFAOYSA-N 0 0 393.491 3.385 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000174084121 1426993772 /nfs/dbraw/zinc/99/37/72/1426993772.db2.gz UMELNLRPBJVZSA-SFHVURJKSA-N 0 0 383.517 3.152 20 30 GGEDRN C=CCN(CC(=O)N(Cc1ccc(C)o1)C1CC1)S(=O)(=O)c1cccs1 ZINC000174085676 1426994867 /nfs/dbraw/zinc/99/48/67/1426994867.db2.gz BTGCAZBROHHVDC-UHFFFAOYSA-N 0 0 394.518 3.017 20 30 GGEDRN COC(=O)[C@@H]1CCC[C@H](C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)C1 ZINC000174087663 1426995069 /nfs/dbraw/zinc/99/50/69/1426995069.db2.gz WKARBYNZWVCFHX-JKSUJKDBSA-N 0 0 382.382 3.429 20 30 GGEDRN C=CCn1c(C2CC2)nn(CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1=S ZINC000174091684 1426996740 /nfs/dbraw/zinc/99/67/40/1426996740.db2.gz FALWPBKKKNSORX-OAHLLOKOSA-N 0 0 393.557 3.376 20 30 GGEDRN CC[C@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC000174093098 1426998324 /nfs/dbraw/zinc/99/83/24/1426998324.db2.gz GNPFPFIZWPNSTC-RXVVDRJESA-N 0 0 375.472 3.330 20 30 GGEDRN Cc1ccc(C(=O)NCCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000174094110 1426999297 /nfs/dbraw/zinc/99/92/97/1426999297.db2.gz ALSLTFABIYFFDI-UHFFFAOYSA-N 0 0 390.365 3.437 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000174097740 1427001706 /nfs/dbraw/zinc/00/17/06/1427001706.db2.gz KBXHTECKWRIUFW-UHFFFAOYSA-N 0 0 386.333 3.319 20 30 GGEDRN CC[C@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)N1CCCC1=O ZINC000174100044 1427002138 /nfs/dbraw/zinc/00/21/38/1427002138.db2.gz HJWBYHGRZGNOMP-LJQANCHMSA-N 0 0 390.443 3.150 20 30 GGEDRN CC(C)CC(=O)NCCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000174102960 1427003112 /nfs/dbraw/zinc/00/31/12/1427003112.db2.gz HGIQQLFCWDVBMJ-INIZCTEOSA-N 0 0 380.473 3.410 20 30 GGEDRN N#CC1(C(=O)NCC2CCC(CNC(=O)C3(C#N)CCCC3)CC2)CCCC1 ZINC000174103598 1427003280 /nfs/dbraw/zinc/00/32/80/1427003280.db2.gz WFMOJGJYWOTSCU-UHFFFAOYSA-N 0 0 384.524 3.193 20 30 GGEDRN N#Cc1ccc(-c2nnc(CON=C(N)c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000174103795 1427003847 /nfs/dbraw/zinc/00/38/47/1427003847.db2.gz IMRAEJNZUYVCIJ-UHFFFAOYSA-N 0 0 387.321 3.464 20 30 GGEDRN Cc1ccc(CN(C(=O)CON=C(N)c2cccc(C(F)(F)F)c2)C2CC2)o1 ZINC000174103858 1427003946 /nfs/dbraw/zinc/00/39/46/1427003946.db2.gz NJDWDBULEVFWNL-UHFFFAOYSA-N 0 0 395.381 3.435 20 30 GGEDRN Ic1ccc(CON=C2CCC3(CC2)OCCO3)cc1 ZINC000174115912 1427009342 /nfs/dbraw/zinc/00/93/42/1427009342.db2.gz MTWKHJZVJHZMLF-UHFFFAOYSA-N 0 0 387.217 3.481 20 30 GGEDRN COCCN(Cc1cc(C)nc2ccccc12)S(=O)(=O)c1ccc(C#N)cc1 ZINC000174117775 1427009717 /nfs/dbraw/zinc/00/97/17/1427009717.db2.gz WWHBKWDCRAPKPE-UHFFFAOYSA-N 0 0 395.484 3.252 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000174124653 1427012417 /nfs/dbraw/zinc/01/24/17/1427012417.db2.gz QJUMNVKTMHMLLT-OALUTQOASA-N 0 0 383.521 3.471 20 30 GGEDRN Cc1cc(C)n(Cc2cccc(C(N)=NO[C@H](C)c3nc(C4CC4)no3)c2)n1 ZINC000174132720 1427015553 /nfs/dbraw/zinc/01/55/53/1427015553.db2.gz AOUOTQORZKYVBU-CQSZACIVSA-N 0 0 380.452 3.207 20 30 GGEDRN C[C@@H](ON=C(N)c1cccc(OCc2cccnc2)c1)c1nc(C2CC2)no1 ZINC000174132044 1427015847 /nfs/dbraw/zinc/01/58/47/1427015847.db2.gz CQTZSORYZVUJEZ-CYBMUJFWSA-N 0 0 379.420 3.319 20 30 GGEDRN CN(C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000174133595 1427016538 /nfs/dbraw/zinc/01/65/38/1427016538.db2.gz DTWOJJJUNCHDIR-UHFFFAOYSA-N 0 0 383.864 3.422 20 30 GGEDRN C=CCN(CCc1ccccc1)C(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC000174142615 1427020086 /nfs/dbraw/zinc/02/00/86/1427020086.db2.gz FBQRMYCVFXYVOJ-UHFFFAOYSA-N 0 0 394.519 3.203 20 30 GGEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCCC[C@@H]2CCO)c1C#N ZINC000174157893 1427025444 /nfs/dbraw/zinc/02/54/44/1427025444.db2.gz HGTGDGDWOUXLHP-GOSISDBHSA-N 0 0 380.492 3.141 20 30 GGEDRN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)OCCOc1c(C#N)cnc2ccccc21 ZINC000174164364 1427028536 /nfs/dbraw/zinc/02/85/36/1427028536.db2.gz WYKRTZGSSKTIKY-CQSZACIVSA-N 0 0 392.459 3.258 20 30 GGEDRN C#CCOc1ccc(C(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)cc1 ZINC000174185325 1427037767 /nfs/dbraw/zinc/03/77/67/1427037767.db2.gz FICLIJDTEJAVMS-UHFFFAOYSA-N 0 0 377.488 3.163 20 30 GGEDRN CN(C)c1ccc(N2CCC(NC(=O)CCc3ccc(C#N)cc3)CC2)cc1 ZINC000174186897 1427039252 /nfs/dbraw/zinc/03/92/52/1427039252.db2.gz QUZOXBMFOWQQAQ-UHFFFAOYSA-N 0 0 376.504 3.342 20 30 GGEDRN N#CCCN(Cc1ccccn1)C(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000174188230 1427040121 /nfs/dbraw/zinc/04/01/21/1427040121.db2.gz FJQCEVYAFOQCRX-UHFFFAOYSA-N 0 0 386.455 3.297 20 30 GGEDRN NC(=CC(=O)N1CCCCC1)NOCc1cccc(C(=O)Nc2ccccc2)c1 ZINC000174189012 1427040527 /nfs/dbraw/zinc/04/05/27/1427040527.db2.gz LJXQCJHHGHDEFD-UHFFFAOYSA-N 0 0 394.475 3.130 20 30 GGEDRN C=CCSc1ccccc1NC(=O)CN(CC(=O)N(C)C)c1ccccc1 ZINC000174198375 1427046175 /nfs/dbraw/zinc/04/61/75/1427046175.db2.gz VAMQUKRFHBGZQQ-UHFFFAOYSA-N 0 0 383.517 3.498 20 30 GGEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CN(CC(=O)N(C)C)c2ccccc2)c1 ZINC000174204632 1427049279 /nfs/dbraw/zinc/04/92/79/1427049279.db2.gz GGIIIHJHWQQOAO-UHFFFAOYSA-N 0 0 392.503 3.145 20 30 GGEDRN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000174207362 1427050525 /nfs/dbraw/zinc/05/05/25/1427050525.db2.gz NVEPVQDEDZMLJZ-OAHLLOKOSA-N 0 0 392.887 3.091 20 30 GGEDRN CC(C)CO[C@H](C)c1noc(CN(C)CCC(=O)Nc2cccc(C#N)c2)n1 ZINC000174208229 1427051317 /nfs/dbraw/zinc/05/13/17/1427051317.db2.gz WTNFVBNYWKHHEP-OAHLLOKOSA-N 0 0 385.468 3.135 20 30 GGEDRN C#CCOc1cccc(COC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c1 ZINC000174218014 1427056058 /nfs/dbraw/zinc/05/60/58/1427056058.db2.gz COEZRIBFPZCVDS-UHFFFAOYSA-N 0 0 386.473 3.426 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1 ZINC000174227619 1427060135 /nfs/dbraw/zinc/06/01/35/1427060135.db2.gz LFCZVGGHGNNHRP-DYESRHJHSA-N 0 0 398.528 3.417 20 30 GGEDRN CC(C)(C)OC(=O)NC[C@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000174232802 1427061960 /nfs/dbraw/zinc/06/19/60/1427061960.db2.gz UFVHNSUJWGAOTC-MRXNPFEDSA-N 0 0 383.452 3.097 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)OC)C2)cc1 ZINC000174242980 1427066288 /nfs/dbraw/zinc/06/62/88/1427066288.db2.gz HYPQIEYFYMESIH-QZTJIDSGSA-N 0 0 384.476 3.419 20 30 GGEDRN C=CCc1ccccc1OC[C@H](O)CNC1(c2noc(C3CC3)n2)CCCC1 ZINC000174244781 1427066770 /nfs/dbraw/zinc/06/67/70/1427066770.db2.gz LYHZMWBYVWEHLD-GOSISDBHSA-N 0 0 383.492 3.474 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C1 ZINC000174245809 1427067740 /nfs/dbraw/zinc/06/77/40/1427067740.db2.gz GQBKRHYIWOMVSF-XIKOKIGWSA-N 0 0 389.912 3.476 20 30 GGEDRN CC(=O)N[C@H](CC(=O)OCCOc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000174247441 1427068178 /nfs/dbraw/zinc/06/81/78/1427068178.db2.gz MJOQZNCZOYTBEQ-LJQANCHMSA-N 0 0 388.370 3.026 20 30 GGEDRN CC(C)C(=O)N(C)Cc1ccc(C(=O)OCCOc2ccc(C#N)cc2)cc1 ZINC000174247075 1427068285 /nfs/dbraw/zinc/06/82/85/1427068285.db2.gz AHGFXIXCYHQIGL-UHFFFAOYSA-N 0 0 380.444 3.408 20 30 GGEDRN C[C@]1(C(=O)OCCOc2ccc(C#N)cc2)CCCN(C(=O)c2ccccc2)C1 ZINC000174247363 1427068644 /nfs/dbraw/zinc/06/86/44/1427068644.db2.gz VLNYWRYYEBYDKI-QHCPKHFHSA-N 0 0 392.455 3.423 20 30 GGEDRN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000174256139 1427072048 /nfs/dbraw/zinc/07/20/48/1427072048.db2.gz YISVUBGTONVIIZ-UHFFFAOYSA-N 0 0 383.429 3.287 20 30 GGEDRN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000174256408 1427072270 /nfs/dbraw/zinc/07/22/70/1427072270.db2.gz CBDAUVMUCDBITG-UHFFFAOYSA-N 0 0 398.488 3.090 20 30 GGEDRN N#Cc1ccc(C[NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000174264452 1427075101 /nfs/dbraw/zinc/07/51/01/1427075101.db2.gz KVLAIHUPSOMGDZ-UHFFFAOYSA-N 0 0 392.425 3.472 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)Nc2c(F)cc(F)cc2F)CC1 ZINC000174270269 1427077950 /nfs/dbraw/zinc/07/79/50/1427077950.db2.gz ULSBSLUYKDEHLF-UHFFFAOYSA-N 0 0 378.329 3.469 20 30 GGEDRN C[C@H](Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)C(=O)NC(N)=O ZINC000174271024 1427078153 /nfs/dbraw/zinc/07/81/53/1427078153.db2.gz YJGMLPCGMVRLDK-JTQLQIEISA-N 0 0 392.337 3.365 20 30 GGEDRN N#Cc1ccc(CNCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)o1 ZINC000174277865 1427081401 /nfs/dbraw/zinc/08/14/01/1427081401.db2.gz CJMBICYSZWXURV-UHFFFAOYSA-N 0 0 391.450 3.302 20 30 GGEDRN C[C@H](Nc1cccc(N2CCCNC2=O)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000174280303 1427082590 /nfs/dbraw/zinc/08/25/90/1427082590.db2.gz ZVCOZIJGQBNZEA-KRWDZBQOSA-N 0 0 391.475 3.354 20 30 GGEDRN O=C(CCNC(=O)C1N=CC=CC1=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC000174281439 1427083007 /nfs/dbraw/zinc/08/30/07/1427083007.db2.gz XTPBNKSALVWBQP-MRCUWXFGSA-N 0 0 399.466 3.060 20 30 GGEDRN N#Cc1ccc(CNCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)o1 ZINC000174300489 1427091359 /nfs/dbraw/zinc/09/13/59/1427091359.db2.gz ZJDWTXDHUCMEEG-UHFFFAOYSA-N 0 0 399.447 3.059 20 30 GGEDRN CCO[C@@H](C)c1nc(CN2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)cs1 ZINC000174309851 1427095576 /nfs/dbraw/zinc/09/55/76/1427095576.db2.gz WMVAFDOKHMSBPU-HNNXBMFYSA-N 0 0 399.520 3.462 20 30 GGEDRN COc1cccc(-c2noc([C@@H](C)N[C@@H](C)C(=O)Nc3ccccc3C#N)n2)c1 ZINC000174328114 1427104071 /nfs/dbraw/zinc/10/40/71/1427104071.db2.gz IHXVAGKVBGFNMC-UONOGXRCSA-N 0 0 391.431 3.295 20 30 GGEDRN C[C@@H](N[C@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)NC1(C#N)CCCCC1 ZINC000174336943 1427108191 /nfs/dbraw/zinc/10/81/91/1427108191.db2.gz GHMYQEQPDRWIAR-ZIAGYGMSSA-N 0 0 385.443 3.257 20 30 GGEDRN C[C@@H](N[C@@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)Nc1cccc(C#N)c1 ZINC000174339270 1427109508 /nfs/dbraw/zinc/10/95/08/1427109508.db2.gz UGFSPVNOBQSFDZ-OLZOCXBDSA-N 0 0 379.395 3.425 20 30 GGEDRN COc1cccc(-c2cc(NCc3ccc(OC)c(C#N)c3)n(CCO)n2)c1 ZINC000174340073 1427110257 /nfs/dbraw/zinc/11/02/57/1427110257.db2.gz ZHFJXYDCGUCYGI-UHFFFAOYSA-N 0 0 378.432 3.043 20 30 GGEDRN COc1ccc2c(c1)c(C(=O)N1CCN(CC#N)CC1)c(C)n2C1CCCC1 ZINC000174345264 1427112120 /nfs/dbraw/zinc/11/21/20/1427112120.db2.gz JKCYRKRJCVHGOM-UHFFFAOYSA-N 0 0 380.492 3.355 20 30 GGEDRN N#CCN1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1 ZINC000174345870 1427112781 /nfs/dbraw/zinc/11/27/81/1427112781.db2.gz FJILEWUDGKVTNN-UHFFFAOYSA-N 0 0 390.365 3.174 20 30 GGEDRN N#CCN1CCN(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000174349251 1427114631 /nfs/dbraw/zinc/11/46/31/1427114631.db2.gz XFEPEPRPWVIHCQ-OWOJBTEDSA-N 0 0 391.315 3.405 20 30 GGEDRN C=CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000174349803 1427114713 /nfs/dbraw/zinc/11/47/13/1427114713.db2.gz HNNRBWFTMGMAGD-CYBMUJFWSA-N 0 0 382.395 3.302 20 30 GGEDRN C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000174350319 1427115244 /nfs/dbraw/zinc/11/52/44/1427115244.db2.gz YXAUYMOABCVTOD-UHFFFAOYSA-N 0 0 380.473 3.192 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)CCc2c(C)nc3c(c(=O)[nH]n3C)c2C)cc1 ZINC000174352435 1427116185 /nfs/dbraw/zinc/11/61/85/1427116185.db2.gz IJNUPYHZDCGBEE-UHFFFAOYSA-N 0 0 391.475 3.066 20 30 GGEDRN N#CCN1CCN(C(=O)c2cc3sc(Nc4ccccc4)nc3s2)CC1 ZINC000174353351 1427116498 /nfs/dbraw/zinc/11/64/98/1427116498.db2.gz JLAHJKFQCUMJAF-UHFFFAOYSA-N 0 0 383.502 3.383 20 30 GGEDRN N#CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000174353495 1427116520 /nfs/dbraw/zinc/11/65/20/1427116520.db2.gz KCISDCWLZQDFST-UHFFFAOYSA-N 0 0 382.445 3.027 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000174356964 1427117995 /nfs/dbraw/zinc/11/79/95/1427117995.db2.gz WEKCIKHEUHNLAM-OAHLLOKOSA-N 0 0 381.484 3.064 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](C)Oc1ccc(F)cc1 ZINC000174365808 1427122778 /nfs/dbraw/zinc/12/27/78/1427122778.db2.gz BHPNEIYDOXGMTM-OAHLLOKOSA-N 0 0 386.423 3.449 20 30 GGEDRN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000174376867 1427127602 /nfs/dbraw/zinc/12/76/02/1427127602.db2.gz MHJFBUZIBLVDRS-NGYYIYKWSA-N 0 0 381.476 3.088 20 30 GGEDRN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000174376856 1427127716 /nfs/dbraw/zinc/12/77/16/1427127716.db2.gz MHJFBUZIBLVDRS-TZZKBKQISA-N 0 0 381.476 3.088 20 30 GGEDRN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000174376878 1427127771 /nfs/dbraw/zinc/12/77/71/1427127771.db2.gz MHJFBUZIBLVDRS-ALQZDLGESA-N 0 0 381.476 3.088 20 30 GGEDRN N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000174377185 1427127908 /nfs/dbraw/zinc/12/79/08/1427127908.db2.gz PZGOCIHHPJUQLE-FPOVZHCZSA-N 0 0 392.507 3.160 20 30 GGEDRN COc1ccc(-c2ccc(CNC(=O)CNC(=O)c3ccc(C#N)cc3)cc2)cc1 ZINC000174389250 1427133842 /nfs/dbraw/zinc/13/38/42/1427133842.db2.gz JAJNVMCMHIAKHH-UHFFFAOYSA-N 0 0 399.450 3.280 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)c2ccccc2SCC(=O)N2CCCC2)c1 ZINC000174394162 1427135896 /nfs/dbraw/zinc/13/58/96/1427135896.db2.gz NMVPGGQXWGUCKA-UHFFFAOYSA-N 0 0 397.475 3.342 20 30 GGEDRN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCc1cc(C#N)ccc1F ZINC000174394201 1427136051 /nfs/dbraw/zinc/13/60/51/1427136051.db2.gz RATWWHNPWVIZAJ-HXUWFJFHSA-N 0 0 381.451 3.467 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1 ZINC000174394450 1427136169 /nfs/dbraw/zinc/13/61/69/1427136169.db2.gz ZVOFEKNHXYRDSV-VQHVLOKHSA-N 0 0 391.446 3.266 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1 ZINC000174395820 1427136757 /nfs/dbraw/zinc/13/67/57/1427136757.db2.gz RHYVSHQVOZCMHY-INIZCTEOSA-N 0 0 392.459 3.098 20 30 GGEDRN N#Cc1cccc(OC2CCN(C(=O)N[C@H]3CCCC[C@H]3n3cccn3)CC2)c1 ZINC000174397842 1427138474 /nfs/dbraw/zinc/13/84/74/1427138474.db2.gz UANIQCAZVUOHKM-LEWJYISDSA-N 0 0 393.491 3.491 20 30 GGEDRN N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CCCC[C@H]3n3cccn3)CC2)c1 ZINC000174397831 1427138721 /nfs/dbraw/zinc/13/87/21/1427138721.db2.gz UANIQCAZVUOHKM-NHCUHLMSSA-N 0 0 393.491 3.491 20 30 GGEDRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3cc(C#N)ccc3F)C2)cc1 ZINC000174400955 1427140025 /nfs/dbraw/zinc/14/00/25/1427140025.db2.gz ZJFUEQOFFMGFBE-GOSISDBHSA-N 0 0 379.435 3.174 20 30 GGEDRN COc1cc(C(C)=O)ccc1OCCCC(=O)NCc1cc(C#N)ccc1F ZINC000174401210 1427140155 /nfs/dbraw/zinc/14/01/55/1427140155.db2.gz GTIYZFGALNUDLH-UHFFFAOYSA-N 0 0 384.407 3.384 20 30 GGEDRN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCc1cc(C#N)ccc1F ZINC000174400988 1427140532 /nfs/dbraw/zinc/14/05/32/1427140532.db2.gz AHQUGXQWMBAFHF-IBGZPJMESA-N 0 0 395.434 3.017 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)c1 ZINC000174401970 1427141340 /nfs/dbraw/zinc/14/13/40/1427141340.db2.gz VTJFHNBGBRWTNM-UHFFFAOYSA-N 0 0 378.407 3.385 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)c1 ZINC000174407598 1427144447 /nfs/dbraw/zinc/14/44/47/1427144447.db2.gz ZWVJESZNAPZLIM-UHFFFAOYSA-N 0 0 389.312 3.227 20 30 GGEDRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cc(C#N)ccc1F ZINC000174406875 1427144670 /nfs/dbraw/zinc/14/46/70/1427144670.db2.gz CRHKSRSLHDYICT-VFNWGFHPSA-N 0 0 393.462 3.313 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)/C=C/c2ccc(I)o2)c1 ZINC000174407883 1427144987 /nfs/dbraw/zinc/14/49/87/1427144987.db2.gz OMCVGBWBZLJIGB-ZZXKWVIFSA-N 0 0 396.159 3.225 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000174411331 1427145839 /nfs/dbraw/zinc/14/58/39/1427145839.db2.gz PUPOQVIZUFFGGT-IERDGZPVSA-N 0 0 380.444 3.243 20 30 GGEDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 ZINC000174411417 1427146065 /nfs/dbraw/zinc/14/60/65/1427146065.db2.gz BIPXEOZQQFXQFD-IAGOWNOFSA-N 0 0 385.537 3.283 20 30 GGEDRN C#C[C@@H](C)OC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000174411724 1427146495 /nfs/dbraw/zinc/14/64/95/1427146495.db2.gz XOVOKFUJWVNHGO-LLVKDONJSA-N 0 0 381.812 3.458 20 30 GGEDRN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)NCc2cc(C#N)ccc2F)c1 ZINC000174419107 1427149454 /nfs/dbraw/zinc/14/94/54/1427149454.db2.gz WBGQVNCGHFDZPS-UHFFFAOYSA-N 0 0 381.436 3.243 20 30 GGEDRN CCOc1ccc(-c2noc(CCC(=O)NCc3cc(C#N)ccc3F)n2)cc1 ZINC000174419181 1427149717 /nfs/dbraw/zinc/14/97/17/1427149717.db2.gz RPIQLRBHOICHEM-UHFFFAOYSA-N 0 0 394.406 3.395 20 30 GGEDRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCc1cc(C#N)ccc1F ZINC000174423556 1427150853 /nfs/dbraw/zinc/15/08/53/1427150853.db2.gz BNGIBXCYPHXBSU-UHFFFAOYSA-N 0 0 380.398 3.498 20 30 GGEDRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cc(C#N)ccc1F ZINC000174423053 1427150858 /nfs/dbraw/zinc/15/08/58/1427150858.db2.gz GBIQKWPLADEDKX-LJQANCHMSA-N 0 0 397.450 3.450 20 30 GGEDRN C#C[C@@H](C)OC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000174425023 1427151351 /nfs/dbraw/zinc/15/13/51/1427151351.db2.gz RAEDCSYXVXPURW-KGLIPLIRSA-N 0 0 378.266 3.175 20 30 GGEDRN CCCCN1C(=O)c2ccc(C(=O)NCc3cc(C#N)ccc3F)cc2C1=O ZINC000174426383 1427151549 /nfs/dbraw/zinc/15/15/49/1427151549.db2.gz JLMYDJWFWOAZHW-UHFFFAOYSA-N 0 0 379.391 3.023 20 30 GGEDRN C[C@@H]1CN(Cc2ccc(C(=O)NCc3cc(C#N)ccc3F)cc2)C[C@H](C)O1 ZINC000174428149 1427152038 /nfs/dbraw/zinc/15/20/38/1427152038.db2.gz RPCWZOSQFAKKKN-IYBDPMFKSA-N 0 0 381.451 3.237 20 30 GGEDRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1cc(C#N)ccc1F ZINC000174428545 1427152833 /nfs/dbraw/zinc/15/28/33/1427152833.db2.gz LRTPKUQTVPTVGZ-JTQLQIEISA-N 0 0 394.233 3.439 20 30 GGEDRN C=CC1CCN(C(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)CC1 ZINC000174435079 1427154917 /nfs/dbraw/zinc/15/49/17/1427154917.db2.gz WMERCIUCBHQKGR-UHFFFAOYSA-N 0 0 386.901 3.193 20 30 GGEDRN N#CCCN(CC(F)(F)F)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000174437255 1427155489 /nfs/dbraw/zinc/15/54/89/1427155489.db2.gz YWMSFSXTXGNFJY-UHFFFAOYSA-N 0 0 387.361 3.459 20 30 GGEDRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(CCC#N)CC(F)(F)F)C2)cc1 ZINC000174436271 1427155797 /nfs/dbraw/zinc/15/57/97/1427155797.db2.gz YPGHAYUUNKAOBC-INIZCTEOSA-N 0 0 381.398 3.152 20 30 GGEDRN N#CCCN(CC(F)(F)F)C(=O)COc1cccc(NC(=O)c2ccco2)c1 ZINC000174437423 1427156034 /nfs/dbraw/zinc/15/60/34/1427156034.db2.gz QHLXSMFNEGTLEX-UHFFFAOYSA-N 0 0 395.337 3.215 20 30 GGEDRN CCO[C@H](C)c1nc(CN2CCN(C(=O)c3cccc(C#N)c3)CC2)cs1 ZINC000174439315 1427156269 /nfs/dbraw/zinc/15/62/69/1427156269.db2.gz RSAXWSJPJSMNRD-OAHLLOKOSA-N 0 0 384.505 3.070 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCN(C)c2cc(F)ccc21 ZINC000174443043 1427158251 /nfs/dbraw/zinc/15/82/51/1427158251.db2.gz ZTSVBLVWJZTWME-UHFFFAOYSA-N 0 0 383.423 3.348 20 30 GGEDRN CS(=O)(=O)c1cccc(Oc2ncccc2CNCc2ccc(C#N)o2)c1 ZINC000174445410 1427159332 /nfs/dbraw/zinc/15/93/32/1427159332.db2.gz RPXBKCVPRTXNNH-UHFFFAOYSA-N 0 0 383.429 3.032 20 30 GGEDRN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N(CCC#N)CC(F)(F)F ZINC000174448889 1427160728 /nfs/dbraw/zinc/16/07/28/1427160728.db2.gz FIRKCKKEVJYKNB-AWEZNQCLSA-N 0 0 389.805 3.399 20 30 GGEDRN C[C@H](CC(=O)N1CCN(c2ccccc2C#N)CC1)C(=O)c1cccc(F)c1 ZINC000174460141 1427166460 /nfs/dbraw/zinc/16/64/60/1427166460.db2.gz KZXHJRRFOWXGHR-MRXNPFEDSA-N 0 0 379.435 3.255 20 30 GGEDRN COCCN1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000174495095 1427181681 /nfs/dbraw/zinc/18/16/81/1427181681.db2.gz HXFLPPNEAYTWEO-UHFFFAOYSA-N 0 0 398.438 3.286 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174518949 1427199371 /nfs/dbraw/zinc/19/93/71/1427199371.db2.gz CSKHYWSXBAVHHR-UHFFFAOYSA-N 0 0 380.492 3.247 20 30 GGEDRN N#Cc1ccccc1-c1ccccc1C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000174521455 1427201253 /nfs/dbraw/zinc/20/12/53/1427201253.db2.gz DWYPNRQOJKFDQW-UHFFFAOYSA-N 0 0 385.423 3.019 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC000174528130 1427205256 /nfs/dbraw/zinc/20/52/56/1427205256.db2.gz AOHYBBFOGYLBRC-UHFFFAOYSA-N 0 0 394.450 3.323 20 30 GGEDRN CC(C)(C)N1C[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)CC1=O ZINC000174541768 1427213015 /nfs/dbraw/zinc/21/30/15/1427213015.db2.gz VCRIFJRESZOXRT-LJQANCHMSA-N 0 0 391.471 3.266 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)CCc2c(C)nc3c(c(=O)[nH]n3C)c2C)c1 ZINC000174541899 1427213220 /nfs/dbraw/zinc/21/32/20/1427213220.db2.gz JMZYOSFKJGWMLX-UHFFFAOYSA-N 0 0 394.475 3.405 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)c1C#N ZINC000174566977 1427227307 /nfs/dbraw/zinc/22/73/07/1427227307.db2.gz BWGLCRYOTUPHJU-UHFFFAOYSA-N 0 0 375.350 3.183 20 30 GGEDRN N#C[C@@H](c1ccccc1)N1CCN(CC(=O)Nc2nc3ccccc3s2)CC1 ZINC000174572071 1427232439 /nfs/dbraw/zinc/23/24/39/1427232439.db2.gz MCEWTPNBLQZNIQ-SFHVURJKSA-N 0 0 391.500 3.117 20 30 GGEDRN CCN1CCO[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC000174572944 1427232926 /nfs/dbraw/zinc/23/29/26/1427232926.db2.gz OVPBCIWJEVLEMJ-FQEVSTJZSA-N 0 0 399.878 3.450 20 30 GGEDRN CCN1CCO[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC000174572958 1427233051 /nfs/dbraw/zinc/23/30/51/1427233051.db2.gz OVPBCIWJEVLEMJ-HXUWFJFHSA-N 0 0 399.878 3.450 20 30 GGEDRN CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000174573760 1427234062 /nfs/dbraw/zinc/23/40/62/1427234062.db2.gz PYDQPTRDQQXJGX-UXHICEINSA-N 0 0 395.507 3.363 20 30 GGEDRN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000174573541 1427234122 /nfs/dbraw/zinc/23/41/22/1427234122.db2.gz LUTXRUJBQOMEOU-GCJKJVERSA-N 0 0 394.494 3.228 20 30 GGEDRN CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000174573745 1427234135 /nfs/dbraw/zinc/23/41/35/1427234135.db2.gz PYDQPTRDQQXJGX-PMACEKPBSA-N 0 0 395.507 3.363 20 30 GGEDRN N#C[C@@H](c1ccccc1)N1CCN(CC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000174574560 1427234850 /nfs/dbraw/zinc/23/48/50/1427234850.db2.gz RHOKEKMXCJAAMX-IBGZPJMESA-N 0 0 386.858 3.300 20 30 GGEDRN CSc1cccc(NC(=O)CN2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000174577827 1427236209 /nfs/dbraw/zinc/23/62/09/1427236209.db2.gz TWZDYQPBUQQVAC-FQEVSTJZSA-N 0 0 380.517 3.229 20 30 GGEDRN Cc1ccc2c(CC(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)c[nH]c2c1 ZINC000174579331 1427237670 /nfs/dbraw/zinc/23/76/70/1427237670.db2.gz HSVAFVPKWQLYSE-UHFFFAOYSA-N 0 0 388.471 3.490 20 30 GGEDRN CC(=O)N(c1nc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)cs1)C1CC1 ZINC000174580369 1427238279 /nfs/dbraw/zinc/23/82/79/1427238279.db2.gz OMHADYXFORXXLL-FQEVSTJZSA-N 0 0 395.532 3.041 20 30 GGEDRN N#Cc1cc(NC(=O)c2cnc(-c3ccco3)s2)ccc1N1CCC(O)CC1 ZINC000174579398 1427238312 /nfs/dbraw/zinc/23/83/12/1427238312.db2.gz HJABVFJTQXMGDN-UHFFFAOYSA-N 0 0 394.456 3.488 20 30 GGEDRN C[C@@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)n1cnc2ccccc21 ZINC000174581917 1427238979 /nfs/dbraw/zinc/23/89/79/1427238979.db2.gz FMIZVLVKFKZCJX-HNNXBMFYSA-N 0 0 389.459 3.069 20 30 GGEDRN COc1ccc(CCCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 ZINC000174580712 1427238994 /nfs/dbraw/zinc/23/89/94/1427238994.db2.gz LKDSNZMKHHXJKW-UHFFFAOYSA-N 0 0 393.487 3.489 20 30 GGEDRN N#Cc1cc(NC(=O)c2cnc(-c3ccccc3)nc2)ccc1N1CCC(O)CC1 ZINC000174582119 1427239070 /nfs/dbraw/zinc/23/90/70/1427239070.db2.gz BQNGMFVQLOFPEG-UHFFFAOYSA-N 0 0 399.454 3.229 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000174581413 1427239144 /nfs/dbraw/zinc/23/91/44/1427239144.db2.gz QNEHIELEWQHEEI-UHFFFAOYSA-N 0 0 376.416 3.134 20 30 GGEDRN CCSc1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cn1 ZINC000174582241 1427239703 /nfs/dbraw/zinc/23/97/03/1427239703.db2.gz JMUDUZNWKRAWNG-UHFFFAOYSA-N 0 0 382.489 3.279 20 30 GGEDRN N#Cc1cc(NC(=O)c2cc(=O)[nH]c3ccccc32)ccc1N1CCC(O)CC1 ZINC000174582563 1427239893 /nfs/dbraw/zinc/23/98/93/1427239893.db2.gz VIQHJWMGUMHRFO-UHFFFAOYSA-N 0 0 388.427 3.025 20 30 GGEDRN Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c(C)c1 ZINC000174582584 1427240079 /nfs/dbraw/zinc/24/00/79/1427240079.db2.gz SRQWKQRFPQOZSA-UHFFFAOYSA-N 0 0 393.487 3.462 20 30 GGEDRN N#Cc1cc(NC(=O)Cc2c[nH]c3ccc(F)cc23)ccc1N1CCC(O)CC1 ZINC000174583763 1427240649 /nfs/dbraw/zinc/24/06/49/1427240649.db2.gz OYBXXUNIORMHQU-UHFFFAOYSA-N 0 0 392.434 3.321 20 30 GGEDRN N#Cc1cc(NC(=O)CCCOc2ccccc2)ccc1N1CCC(O)CC1 ZINC000174583710 1427240767 /nfs/dbraw/zinc/24/07/67/1427240767.db2.gz PDCULSDCJXDYJF-UHFFFAOYSA-N 0 0 379.460 3.317 20 30 GGEDRN Cc1cc2ccccc2n1CC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000174584004 1427240991 /nfs/dbraw/zinc/24/09/91/1427240991.db2.gz OICVXFDLBVQMLD-UHFFFAOYSA-N 0 0 388.471 3.421 20 30 GGEDRN Cc1cccc2c(CC(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)c[nH]c21 ZINC000174584827 1427241314 /nfs/dbraw/zinc/24/13/14/1427241314.db2.gz LUZCJYAZTYRTQT-UHFFFAOYSA-N 0 0 388.471 3.490 20 30 GGEDRN C#CCCCN/C=C1/c2ccccc2C(=O)N(c2ccc(OC)c(OC)c2)C1=O ZINC000174585115 1427241458 /nfs/dbraw/zinc/24/14/58/1427241458.db2.gz UVEFDFLFNVLUTG-CYVLTUHYSA-N 0 0 390.439 3.235 20 30 GGEDRN N#Cc1ccc(SCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 ZINC000174585839 1427241823 /nfs/dbraw/zinc/24/18/23/1427241823.db2.gz PISJXGGZNHGNBI-UHFFFAOYSA-N 0 0 392.484 3.122 20 30 GGEDRN COc1ccccc1C[C@@H](C)N(C)C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000174585866 1427241865 /nfs/dbraw/zinc/24/18/65/1427241865.db2.gz NSQKJBFMDYCATC-MRXNPFEDSA-N 0 0 382.508 3.444 20 30 GGEDRN N#Cc1cc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)ccc1N1CCC(O)CC1 ZINC000174587171 1427242685 /nfs/dbraw/zinc/24/26/85/1427242685.db2.gz NYOCQVAWEHJKJO-URXFXBBRSA-N 0 0 387.483 3.362 20 30 GGEDRN CCO[C@@H]1C[C@@H](OC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C12CCCCC2 ZINC000174593217 1427246604 /nfs/dbraw/zinc/24/66/04/1427246604.db2.gz NBSZNEOATZFIKE-RTBURBONSA-N 0 0 386.492 3.467 20 30 GGEDRN Cc1[nH]c2ccccc2c1C1=CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000174594545 1427247087 /nfs/dbraw/zinc/24/70/87/1427247087.db2.gz KNAXCDIQZKDDTC-UHFFFAOYSA-N 0 0 375.476 3.221 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000174595895 1427247980 /nfs/dbraw/zinc/24/79/80/1427247980.db2.gz NNSIZMFGMKUJKK-ZDUSSCGKSA-N 0 0 380.375 3.400 20 30 GGEDRN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(C#N)o2)NC(=O)N1 ZINC000174614339 1427263147 /nfs/dbraw/zinc/26/31/47/1427263147.db2.gz TXZJHRPCVNNLCM-HNNXBMFYSA-N 0 0 390.321 3.437 20 30 GGEDRN N#Cc1cc(NCc2cnn(Cc3ccccc3)c2)ccc1N1CCC(O)CC1 ZINC000174616859 1427264896 /nfs/dbraw/zinc/26/48/96/1427264896.db2.gz NJVGFHBQPMOPSQ-UHFFFAOYSA-N 0 0 387.487 3.376 20 30 GGEDRN N#Cc1ccc(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000174617175 1427265559 /nfs/dbraw/zinc/26/55/59/1427265559.db2.gz AOABDQGYSLLETM-SFHVURJKSA-N 0 0 399.397 3.014 20 30 GGEDRN Cc1cn2c(CNc3ccc(N4CCC(O)CC4)c(C#N)c3)c(C)nc2s1 ZINC000174619221 1427266536 /nfs/dbraw/zinc/26/65/36/1427266536.db2.gz HMFHXTLEDLOCFI-UHFFFAOYSA-N 0 0 381.505 3.458 20 30 GGEDRN CCN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H](C)c1cccc(O)c1 ZINC000174621185 1427268478 /nfs/dbraw/zinc/26/84/78/1427268478.db2.gz VTDLWQOJAHDNPK-INIZCTEOSA-N 0 0 389.459 3.471 20 30 GGEDRN CCOc1cccc(CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000174623081 1427269856 /nfs/dbraw/zinc/26/98/56/1427269856.db2.gz DBTOODPFROXGTR-UHFFFAOYSA-N 0 0 391.349 3.231 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)CC(F)F)cc1 ZINC000174623636 1427271061 /nfs/dbraw/zinc/27/10/61/1427271061.db2.gz LMSSRZIJSGJXFA-UHFFFAOYSA-N 0 0 394.443 3.058 20 30 GGEDRN N#Cc1cccc(CNC(=O)C(=O)Nc2ccc(OC3CCCC3)c(F)c2)c1 ZINC000174624966 1427272165 /nfs/dbraw/zinc/27/21/65/1427272165.db2.gz DHWUIZDGTNBKLO-UHFFFAOYSA-N 0 0 381.407 3.274 20 30 GGEDRN C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)Cc1cc(-c2ccco2)on1 ZINC000174627994 1427273480 /nfs/dbraw/zinc/27/34/80/1427273480.db2.gz HOQAFZVWDGSKTK-UHFFFAOYSA-N 0 0 396.428 3.353 20 30 GGEDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1 ZINC000174628309 1427273777 /nfs/dbraw/zinc/27/37/77/1427273777.db2.gz FPMURFCZFVJZDD-FQEVSTJZSA-N 0 0 384.430 3.449 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)NC(=O)CCN2C ZINC000174627178 1427273940 /nfs/dbraw/zinc/27/39/40/1427273940.db2.gz VJCZFTFDFGOQOR-UHFFFAOYSA-N 0 0 376.460 3.389 20 30 GGEDRN C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)CCCCCn1cc(C)cn1 ZINC000174629366 1427274838 /nfs/dbraw/zinc/27/48/38/1427274838.db2.gz WTUNJAIWRXCDKU-UHFFFAOYSA-N 0 0 399.520 3.280 20 30 GGEDRN N#Cc1cnn(-c2ccc(C(=O)N(Cc3ccccc3)CC(F)F)cc2)c1N ZINC000174631288 1427276265 /nfs/dbraw/zinc/27/62/65/1427276265.db2.gz ZDCKLBKXEZOHTB-UHFFFAOYSA-N 0 0 381.386 3.234 20 30 GGEDRN CCC(=O)N(C)c1ccccc1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000174633678 1427278323 /nfs/dbraw/zinc/27/83/23/1427278323.db2.gz KRNQEGQJNYIOFR-UHFFFAOYSA-N 0 0 394.450 3.033 20 30 GGEDRN C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CCc1ccc(C)cc1 ZINC000174643113 1427282681 /nfs/dbraw/zinc/28/26/81/1427282681.db2.gz FIIKLNNDLHMSQG-UHFFFAOYSA-N 0 0 381.501 3.380 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CCCc2ccccc21 ZINC000174651240 1427288853 /nfs/dbraw/zinc/28/88/53/1427288853.db2.gz BUAIVYLVODLKCZ-MRXNPFEDSA-N 0 0 380.419 3.013 20 30 GGEDRN Cc1ccc(N2CCC[C@H](NC(=O)NCc3ccc(OCC#N)cc3)C2)cc1 ZINC000174659221 1427293080 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Cc1cccc(NC(=O)C(=O)NCc2cccc(COC(C)(C)C)c2)c1C#N ZINC000174823162 1427388012 /nfs/dbraw/zinc/38/80/12/1427388012.db2.gz HIHUWBNYAHQUKL-UHFFFAOYSA-N 0 0 379.460 3.437 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H]1c1ccccc1OC ZINC000174831789 1427392531 /nfs/dbraw/zinc/39/25/31/1427392531.db2.gz HBBQQCCLACNBHE-GOSISDBHSA-N 0 0 396.418 3.149 20 30 GGEDRN CCCN(CC#N)CC(=O)Nc1c(C(=O)OCC)sc2nc(C)cc(C)c21 ZINC000174831458 1427392551 /nfs/dbraw/zinc/39/25/51/1427392551.db2.gz PHCPVJQMPAXCRE-UHFFFAOYSA-N 0 0 388.493 3.264 20 30 GGEDRN N#CCCN(Cc1ccccn1)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000174835189 1427395257 /nfs/dbraw/zinc/39/52/57/1427395257.db2.gz RHLQRGNSYSAQNZ-KRWDZBQOSA-N 0 0 379.382 3.256 20 30 GGEDRN Cc1cc(NC(=O)CN(CCC#N)Cc2ccccn2)n(-c2ccc(F)cc2)n1 ZINC000174836792 1427396581 /nfs/dbraw/zinc/39/65/81/1427396581.db2.gz TZCZBEAXDDYQQX-UHFFFAOYSA-N 0 0 392.438 3.069 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c1C#N ZINC000174836791 1427396668 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C=CCNS(=O)(=O)c1cc(-c2nc(-c3cccc(OC)c3)no2)ccc1F ZINC000174854530 1427408920 /nfs/dbraw/zinc/40/89/20/1427408920.db2.gz ZGBHAVNQODGIJG-UHFFFAOYSA-N 0 0 389.408 3.016 20 30 GGEDRN COc1cc(F)ccc1NC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000174858803 1427411770 /nfs/dbraw/zinc/41/17/70/1427411770.db2.gz KZZHSBQMGDGSQX-UHFFFAOYSA-N 0 0 384.411 3.311 20 30 GGEDRN CCc1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cs1 ZINC000174862656 1427414754 /nfs/dbraw/zinc/41/47/54/1427414754.db2.gz CJSAIADYSDUYIY-SECBINFHSA-N 0 0 396.394 3.412 20 30 GGEDRN COCc1cccc(NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 ZINC000174866652 1427417740 /nfs/dbraw/zinc/41/77/40/1427417740.db2.gz KUWYNGZYEWDPRD-UHFFFAOYSA-N 0 0 380.448 3.310 20 30 GGEDRN C[C@@H](CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(=O)c1cccc(F)c1 ZINC000174867880 1427417856 /nfs/dbraw/zinc/41/78/56/1427417856.db2.gz JNYYDRKYCFPAIY-LAUBAEHRSA-N 0 0 393.462 3.271 20 30 GGEDRN CC(=O)N1CCCN(CC(=O)N(CCC#N)c2ccccc2)c2ccccc21 ZINC000174868917 1427418779 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CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(Br)c2)[C@@H](C#N)C1 ZINC000175012506 1427496712 /nfs/dbraw/zinc/49/67/12/1427496712.db2.gz RQOQCZLMGMFDIH-AWEZNQCLSA-N 0 0 394.269 3.034 20 30 GGEDRN CC(C)(C)OC(=O)N1CCN(C(=O)CCc2c[nH]c3ccccc23)[C@@H](C#N)C1 ZINC000175012831 1427497422 /nfs/dbraw/zinc/49/74/22/1427497422.db2.gz YLHGXNXLBRLQIM-INIZCTEOSA-N 0 0 382.464 3.072 20 30 GGEDRN CC(C)(C)OC(=O)N1CCN(C(=O)CCc2ccc(Cl)s2)[C@H](C#N)C1 ZINC000175013243 1427497744 /nfs/dbraw/zinc/49/77/44/1427497744.db2.gz JKCWYUPLKPIFSL-GFCCVEGCSA-N 0 0 383.901 3.306 20 30 GGEDRN CC(C)(C)OC(=O)N1CCN(C(=O)/C=C/c2nc3ccccc3s2)[C@@H](C#N)C1 ZINC000175015802 1427499472 /nfs/dbraw/zinc/49/94/72/1427499472.db2.gz RUGIXCNENOBXNG-VFNNOXKTSA-N 0 0 398.488 3.281 20 30 GGEDRN CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)[C@H](C#N)C1 ZINC000175016214 1427500009 /nfs/dbraw/zinc/50/00/09/1427500009.db2.gz AZVVYAMLHNYKAV-OAHLLOKOSA-N 0 0 397.397 3.219 20 30 GGEDRN CC(C)(C)OC(=O)N1CCN(C(=O)/C=C/c2ccc(Cl)s2)[C@@H](C#N)C1 ZINC000175016273 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3.475 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)c2cnc3sc(C)c(C)n3c2=O)cc1 ZINC000180346855 1429841627 /nfs/dbraw/zinc/84/16/27/1429841627.db2.gz FJAIPURIRFCGIL-UHFFFAOYSA-N 0 0 396.472 3.332 20 30 GGEDRN C#Cc1cccc(NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)c1 ZINC000180363078 1429846731 /nfs/dbraw/zinc/84/67/31/1429846731.db2.gz UBLLCSJEUYAAJA-UHFFFAOYSA-N 0 0 378.247 3.086 20 30 GGEDRN C=C(C)CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000180376398 1429850338 /nfs/dbraw/zinc/85/03/38/1429850338.db2.gz HIWKSMHYPPGGMY-UHFFFAOYSA-N 0 0 390.549 3.001 20 30 GGEDRN C=C(C)CN(C)C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000180377572 1429850721 /nfs/dbraw/zinc/85/07/21/1429850721.db2.gz YBCWXMUDWCFOSJ-HZPDHXFCSA-N 0 0 394.537 3.010 20 30 GGEDRN C=C(C)CN(C)C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000180393004 1429854874 /nfs/dbraw/zinc/85/48/74/1429854874.db2.gz GRQMJIIUQZQGRN-UHFFFAOYSA-N 0 0 378.538 3.218 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000180407641 1429860057 /nfs/dbraw/zinc/86/00/57/1429860057.db2.gz NYJGBBATLOOMNO-UHFFFAOYSA-N 0 0 387.443 3.326 20 30 GGEDRN N#CCC[C@@H](NC(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccccc1 ZINC000180423495 1429864899 /nfs/dbraw/zinc/86/48/99/1429864899.db2.gz AGISIGPGSHVHCD-CRAIPNDOSA-N 0 0 398.413 3.414 20 30 GGEDRN N#Cc1ncn(CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1C#N ZINC000180423855 1429865442 /nfs/dbraw/zinc/86/54/42/1429865442.db2.gz BPEQICGBOWGMDB-UHFFFAOYSA-N 0 0 393.410 3.118 20 30 GGEDRN C=CCNC(=O)c1ccc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)nc1 ZINC000180424642 1429865908 /nfs/dbraw/zinc/86/59/08/1429865908.db2.gz VXBKAGSEKSAKGO-MRXNPFEDSA-N 0 0 388.512 3.081 20 30 GGEDRN C=C(C)CN(C)C(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000180429725 1429867519 /nfs/dbraw/zinc/86/75/19/1429867519.db2.gz VZGOFFACEKIOQB-WBVHZDCISA-N 0 0 394.537 3.200 20 30 GGEDRN C=C(C)CN(C)C(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000180429758 1429867525 /nfs/dbraw/zinc/86/75/25/1429867525.db2.gz VZGOFFACEKIOQB-NVXWUHKLSA-N 0 0 394.537 3.200 20 30 GGEDRN N#Cc1cnc2c(F)ccc(Cl)c2c1NCc1cccc(OCC(N)=O)c1 ZINC000180437852 1429869468 /nfs/dbraw/zinc/86/94/68/1429869468.db2.gz WXFCNAMLPBIMLS-UHFFFAOYSA-N 0 0 384.798 3.375 20 30 GGEDRN CCC[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CC[N@@H+]1CCOC ZINC000180464934 1429875577 /nfs/dbraw/zinc/87/55/77/1429875577.db2.gz GDUYTTSTRIKDFI-QFIPXVFZSA-N 0 0 395.551 3.396 20 30 GGEDRN O=C(CO/N=C1/CCCOCC1)NCc1cccc(COCc2ccco2)c1 ZINC000180480822 1429879612 /nfs/dbraw/zinc/87/96/12/1429879612.db2.gz POKPLWHFYHNKGY-NMWGTECJSA-N 0 0 386.448 3.186 20 30 GGEDRN CC(C)n1nnnc1-c1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1F ZINC000180484190 1429880377 /nfs/dbraw/zinc/88/03/77/1429880377.db2.gz OWFZOFJPNDFQDU-UHFFFAOYSA-N 0 0 394.410 3.144 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 ZINC000180504147 1429884396 /nfs/dbraw/zinc/88/43/96/1429884396.db2.gz LMATXSDKKHGFQD-KRWDZBQOSA-N 0 0 387.524 3.273 20 30 GGEDRN N#C[C@H](C(=O)Nc1ncc(-c2ccccc2)s1)c1nnc2n1CCCCC2 ZINC000180505787 1429884781 /nfs/dbraw/zinc/88/47/81/1429884781.db2.gz XZKIVTMVBHPVJO-AWEZNQCLSA-N 0 0 378.461 3.374 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1F ZINC000180549985 1429895556 /nfs/dbraw/zinc/89/55/56/1429895556.db2.gz GTMXMNJURFTRGZ-UHFFFAOYSA-N 0 0 381.407 3.014 20 30 GGEDRN C=CCn1c(-c2ccco2)nn(CN2CCC(CC(=O)N(C)C)CC2)c1=S ZINC000180557189 1429897139 /nfs/dbraw/zinc/89/71/39/1429897139.db2.gz KGIAGFAOFUSUBG-UHFFFAOYSA-N 0 0 389.525 3.008 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NCc2ccn(-c3ccccc3)n2)cc1 ZINC000180570461 1429902307 /nfs/dbraw/zinc/90/23/07/1429902307.db2.gz KBMYSFFMAZYGOX-UHFFFAOYSA-N 0 0 382.489 3.291 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000180572706 1429903163 /nfs/dbraw/zinc/90/31/63/1429903163.db2.gz BHBNKCLMHWGSIQ-UHFFFAOYSA-N 0 0 386.473 3.320 20 30 GGEDRN COCCN(CCCS(=O)(=O)c1ccc(C)cc1)Cc1ccc(C#N)cc1 ZINC000180582759 1429911576 /nfs/dbraw/zinc/91/15/76/1429911576.db2.gz RPWRBPOJROUHFY-UHFFFAOYSA-N 0 0 386.517 3.179 20 30 GGEDRN CCc1oc(C(=O)OC)cc1S(=O)(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000180584768 1429912886 /nfs/dbraw/zinc/91/28/86/1429912886.db2.gz OVOZHNAIJAOYND-CYBMUJFWSA-N 0 0 390.461 3.272 20 30 GGEDRN CCc1cc(NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc1C ZINC000180583869 1429912938 /nfs/dbraw/zinc/91/29/38/1429912938.db2.gz RNEGGIAHVINBQS-UHFFFAOYSA-N 0 0 391.471 3.438 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000180587263 1429915157 /nfs/dbraw/zinc/91/51/57/1429915157.db2.gz HGDHFYJNMHOGIC-LBPRGKRZSA-N 0 0 379.361 3.217 20 30 GGEDRN CCCCOc1ccc(CN2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OC ZINC000180588947 1429916294 /nfs/dbraw/zinc/91/62/94/1429916294.db2.gz XTCUKSMXVPEXHT-KRWDZBQOSA-N 0 0 395.507 3.246 20 30 GGEDRN C=C(C)CN(C)C(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000180595857 1429921102 /nfs/dbraw/zinc/92/11/02/1429921102.db2.gz SUAIZPNUOQHDFD-UHFFFAOYSA-N 0 0 397.498 3.265 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)N(C)CC(C)(C)CN2CCOCC2)cc1C#N ZINC000180596580 1429921313 /nfs/dbraw/zinc/92/13/13/1429921313.db2.gz FXWVBLZVHMANTK-UHFFFAOYSA-N 0 0 388.512 3.168 20 30 GGEDRN C=CCNC(=O)CNC(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000180603284 1429926344 /nfs/dbraw/zinc/92/63/44/1429926344.db2.gz CJTILRQPZAMNGE-OAHLLOKOSA-N 0 0 385.439 3.067 20 30 GGEDRN Cc1nc([C@H](NC(=O)Cc2cccc(OCC#N)c2)c2ccc(Cl)cc2)no1 ZINC000180602531 1429926808 /nfs/dbraw/zinc/92/68/08/1429926808.db2.gz VGAGXQNLDGJGFK-LJQANCHMSA-N 0 0 396.834 3.382 20 30 GGEDRN COC(=O)C[C@@H](NC(=O)c1ccc(C#N)c(C)n1)c1ccc(C(F)(F)F)cc1 ZINC000180603416 1429927739 /nfs/dbraw/zinc/92/77/39/1429927739.db2.gz XCNUDJIQHZITAF-MRXNPFEDSA-N 0 0 391.349 3.315 20 30 GGEDRN Cc1nc([C@H](NC(=O)C#Cc2ccc3c(c2)OCO3)c2ccc(Cl)cc2)no1 ZINC000180618582 1429936490 /nfs/dbraw/zinc/93/64/90/1429936490.db2.gz YDYQICCDKOPYMG-LJQANCHMSA-N 0 0 395.802 3.017 20 30 GGEDRN Cc1nc([C@@H](NC(=O)COc2ccccc2C#N)c2ccc(Cl)cc2)no1 ZINC000180620092 1429937043 /nfs/dbraw/zinc/93/70/43/1429937043.db2.gz ZNEILFMJTIPWLA-SFHVURJKSA-N 0 0 382.807 3.188 20 30 GGEDRN COc1cc(CON=C(N)c2cccs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180629459 1429942192 /nfs/dbraw/zinc/94/21/92/1429942192.db2.gz BFZCCBJZCCQHAF-UHFFFAOYSA-N 0 0 387.364 3.146 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000180635545 1429946547 /nfs/dbraw/zinc/94/65/47/1429946547.db2.gz QLOFROLXCJJVQQ-OALUTQOASA-N 0 0 395.484 3.001 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000180635523 1429947067 /nfs/dbraw/zinc/94/70/67/1429947067.db2.gz QLOFROLXCJJVQQ-RBUKOAKNSA-N 0 0 395.484 3.001 20 30 GGEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)NCc1cccc(C#N)c1 ZINC000180645109 1429951924 /nfs/dbraw/zinc/95/19/24/1429951924.db2.gz NPKFSBJZPVWNND-LLVKDONJSA-N 0 0 379.386 3.494 20 30 GGEDRN CC[C@@H](C)Oc1cc(CNC(=O)N2CCN(c3ccccc3C#N)CC2)ccn1 ZINC000180659154 1429961060 /nfs/dbraw/zinc/96/10/60/1429961060.db2.gz RNRGHAHQBZDCIF-QGZVFWFLSA-N 0 0 393.491 3.162 20 30 GGEDRN C=C(C)CN(C)C(=O)C(=O)Nc1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)ccc1C ZINC000180666946 1429964571 /nfs/dbraw/zinc/96/45/71/1429964571.db2.gz RHXGICSLDGCUCP-IYBDPMFKSA-N 0 0 385.508 3.086 20 30 GGEDRN C=C(C)CN(C)C(=O)C(=O)Nc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1 ZINC000180674306 1429968940 /nfs/dbraw/zinc/96/89/40/1429968940.db2.gz ZLLQMGSIZJAXCU-UHFFFAOYSA-N 0 0 379.888 3.231 20 30 GGEDRN C=C(C)CN(C)C(=O)C(=O)Nc1cc(COc2cccc(F)c2)ccc1OC ZINC000180682088 1429973363 /nfs/dbraw/zinc/97/33/63/1429973363.db2.gz LYZWHERVZGEAJK-UHFFFAOYSA-N 0 0 386.423 3.386 20 30 GGEDRN N#CCOc1ccc(CNC(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000180688483 1429977794 /nfs/dbraw/zinc/97/77/94/1429977794.db2.gz BKWSBMOGBDVQEA-OALUTQOASA-N 0 0 387.386 3.197 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(-c3ncn(C)n3)cc2)c1C ZINC000180687997 1429977851 /nfs/dbraw/zinc/97/78/51/1429977851.db2.gz IIAJEMCARLEEOQ-UHFFFAOYSA-N 0 0 397.442 3.409 20 30 GGEDRN CCN(C(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000180698401 1429985182 /nfs/dbraw/zinc/98/51/82/1429985182.db2.gz XZBUFSOPCBLNOU-FASAQXTFSA-N 0 0 395.484 3.172 20 30 GGEDRN C=CCc1cc(CN2CCOC[C@H]2C[C@H](O)c2ccccc2)cc(OC)c1O ZINC000180713888 1429995844 /nfs/dbraw/zinc/99/58/44/1429995844.db2.gz LHGPCQCUJCPZRM-RTWAWAEBSA-N 0 0 383.488 3.454 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)c1 ZINC000180717012 1429997730 /nfs/dbraw/zinc/99/77/30/1429997730.db2.gz OYQCEMZAHLIKLA-UHFFFAOYSA-N 0 0 391.406 3.061 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](CC2CCC2)c2ccccc2)n1 ZINC000180731477 1430005661 /nfs/dbraw/zinc/00/56/61/1430005661.db2.gz JEDLKJYDUTYLOJ-SFHVURJKSA-N 0 0 379.464 3.322 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1Cl ZINC000180733483 1430006431 /nfs/dbraw/zinc/00/64/31/1430006431.db2.gz OECLVWUJFZBOHZ-SJORKVTESA-N 0 0 398.818 3.298 20 30 GGEDRN COc1cc(C(=O)/C=C/c2cnn(CC(C)C)c2)ccc1S(=O)(=O)C(F)F ZINC000180733537 1430006617 /nfs/dbraw/zinc/00/66/17/1430006617.db2.gz ZRBAMNYQTBDESO-GQCTYLIASA-N 0 0 398.431 3.440 20 30 GGEDRN COc1c(C)cc(C(=O)[C@H](C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1C ZINC000180735261 1430007698 /nfs/dbraw/zinc/00/76/98/1430007698.db2.gz XPSWKEQDAIPGRL-INIZCTEOSA-N 0 0 388.431 3.313 20 30 GGEDRN COc1c(C)cc(C(=O)[C@@H](C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1C ZINC000180735243 1430007769 /nfs/dbraw/zinc/00/77/69/1430007769.db2.gz XPSWKEQDAIPGRL-MRXNPFEDSA-N 0 0 388.431 3.313 20 30 GGEDRN C=CCC[C@@H](NC(=O)c1nccc2c1cccc2S(N)(=O)=O)c1ccccc1 ZINC000180741697 1430010910 /nfs/dbraw/zinc/01/09/10/1430010910.db2.gz XOFUKFZOKISZNW-GOSISDBHSA-N 0 0 395.484 3.320 20 30 GGEDRN O=C(CN(Cc1cccnc1)C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000180749273 1430017031 /nfs/dbraw/zinc/01/70/31/1430017031.db2.gz UAJCXCYAVDKALV-UHFFFAOYSA-N 0 0 387.405 3.233 20 30 GGEDRN COCCn1ccc2ccc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)cc21 ZINC000180751692 1430018096 /nfs/dbraw/zinc/01/80/96/1430018096.db2.gz IUPNZWXWYGSTCO-UHFFFAOYSA-N 0 0 392.459 3.036 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000180758707 1430022524 /nfs/dbraw/zinc/02/25/24/1430022524.db2.gz CVFIVBUFPDKEEZ-SJLPKXTDSA-N 0 0 383.835 3.105 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000180758744 1430022709 /nfs/dbraw/zinc/02/27/09/1430022709.db2.gz CVFIVBUFPDKEEZ-AEFFLSMTSA-N 0 0 383.835 3.105 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000180758762 1430022773 /nfs/dbraw/zinc/02/27/73/1430022773.db2.gz CVFIVBUFPDKEEZ-WMZOPIPTSA-N 0 0 383.835 3.105 20 30 GGEDRN N#Cc1cc(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2F)c[nH]1 ZINC000180759270 1430023439 /nfs/dbraw/zinc/02/34/39/1430023439.db2.gz WOOLPMADVUKECZ-UHFFFAOYSA-N 0 0 394.381 3.446 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)cc1OCC(F)F ZINC000180794253 1430043669 /nfs/dbraw/zinc/04/36/69/1430043669.db2.gz FDQYBVGDKQFQET-UHFFFAOYSA-N 0 0 393.365 3.218 20 30 GGEDRN CC[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccc(OC)cc1 ZINC000180801622 1430048710 /nfs/dbraw/zinc/04/87/10/1430048710.db2.gz ZXCCAQGFZBKBMJ-IRLDBZIGSA-N 0 0 377.488 3.425 20 30 GGEDRN O=C(CCNC(=O)C1N=CC=CC1=O)Nc1ccccc1Nc1ccccc1 ZINC000180805735 1430051160 /nfs/dbraw/zinc/05/11/60/1430051160.db2.gz UTLJAIOFNCUHQW-MRCUWXFGSA-N 0 0 376.416 3.285 20 30 GGEDRN CCC(CC)[C@@H]1C[C@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CCO1 ZINC000180810021 1430053070 /nfs/dbraw/zinc/05/30/70/1430053070.db2.gz FXKLSTQPIZTDDX-QUCCMNQESA-N 0 0 397.523 3.250 20 30 GGEDRN C[C@H](c1cccnc1)N(C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000180810513 1430054081 /nfs/dbraw/zinc/05/40/81/1430054081.db2.gz KZHDGFVOIZWGLO-OAHLLOKOSA-N 0 0 375.394 3.261 20 30 GGEDRN CC[C@H](C)Oc1cc(CNC(=O)CCc2c(C)nn(CCC#N)c2C)ccn1 ZINC000180830616 1430061627 /nfs/dbraw/zinc/06/16/27/1430061627.db2.gz HUKUHQMWFMFLSL-HNNXBMFYSA-N 0 0 383.496 3.235 20 30 GGEDRN N#Cc1ccc(OCCNC(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000180837380 1430064342 /nfs/dbraw/zinc/06/43/42/1430064342.db2.gz RMXHDUZYTXUBEO-MOPGFXCFSA-N 0 0 387.386 3.045 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000180837779 1430064673 /nfs/dbraw/zinc/06/46/73/1430064673.db2.gz XSVNEEMFIIHSPN-UHFFFAOYSA-N 0 0 397.366 3.020 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000180838581 1430065198 /nfs/dbraw/zinc/06/51/98/1430065198.db2.gz ZCKRWOCCESHJTL-LSDHHAIUSA-N 0 0 386.839 3.369 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000180841733 1430066451 /nfs/dbraw/zinc/06/64/51/1430066451.db2.gz YOCJHIKMWUZKGN-UHFFFAOYSA-N 0 0 398.316 3.384 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@@H](C)Cc1ccccc1Cl ZINC000180844112 1430066499 /nfs/dbraw/zinc/06/64/99/1430066499.db2.gz YHCZEIKKQOLJRN-ZDUSSCGKSA-N 0 0 388.855 3.444 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000180845964 1430067143 /nfs/dbraw/zinc/06/71/43/1430067143.db2.gz OKSCMUQDYHCSOR-UHFFFAOYSA-N 0 0 399.838 3.220 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000180846999 1430068057 /nfs/dbraw/zinc/06/80/57/1430068057.db2.gz KIRHZMAPRGXIQN-UHFFFAOYSA-N 0 0 398.316 3.384 20 30 GGEDRN N#CCSc1cccc(C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000180848648 1430068443 /nfs/dbraw/zinc/06/84/43/1430068443.db2.gz QDHLZSFAJVCLLN-ZDUSSCGKSA-N 0 0 387.411 3.116 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000180850811 1430069436 /nfs/dbraw/zinc/06/94/36/1430069436.db2.gz GIRFFOOQCBBEPA-GFCCVEGCSA-N 0 0 390.390 3.384 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)C1 ZINC000180864381 1430076063 /nfs/dbraw/zinc/07/60/63/1430076063.db2.gz ASRYRQFDSQRHLY-XCLFUZPHSA-N 0 0 398.488 3.232 20 30 GGEDRN C=CCNc1ncc(C(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000180887511 1430090474 /nfs/dbraw/zinc/09/04/74/1430090474.db2.gz ZDEBCOMFWGGIIZ-LLVKDONJSA-N 0 0 385.415 3.434 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000180890152 1430092596 /nfs/dbraw/zinc/09/25/96/1430092596.db2.gz UQBOEPDURWQWPY-KRWDZBQOSA-N 0 0 383.835 3.489 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCCOc3c(F)cccc32)ccc1Cl ZINC000180892838 1430094143 /nfs/dbraw/zinc/09/41/43/1430094143.db2.gz SLLIMHSUUOFZDK-MRXNPFEDSA-N 0 0 387.798 3.319 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O ZINC000180915591 1430111639 /nfs/dbraw/zinc/11/16/39/1430111639.db2.gz BCYYNJJQEXAJFZ-KRWDZBQOSA-N 0 0 381.476 3.005 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000180915645 1430112170 /nfs/dbraw/zinc/11/21/70/1430112170.db2.gz YXBTVEDAZYIWKE-QGZVFWFLSA-N 0 0 393.487 3.416 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000180915938 1430112443 /nfs/dbraw/zinc/11/24/43/1430112443.db2.gz ILQMAUDAYZJBKG-LBPRGKRZSA-N 0 0 378.494 3.213 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000180919129 1430114204 /nfs/dbraw/zinc/11/42/04/1430114204.db2.gz JEUDVRZWZXDJKP-GOEBONIOSA-N 0 0 378.444 3.183 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C ZINC000180919990 1430115527 /nfs/dbraw/zinc/11/55/27/1430115527.db2.gz QZFJITGKUOOABK-INIZCTEOSA-N 0 0 385.508 3.467 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCc1nc(C2CC2)cs1 ZINC000180922738 1430117380 /nfs/dbraw/zinc/11/73/80/1430117380.db2.gz BJVMLHUBBVUXRT-UHFFFAOYSA-N 0 0 381.461 3.228 20 30 GGEDRN N#Cc1cccc(NC(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)c1 ZINC000180933348 1430122062 /nfs/dbraw/zinc/12/20/62/1430122062.db2.gz CLDWGCZFQFKESN-UHFFFAOYSA-N 0 0 392.242 3.137 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000180937200 1430124316 /nfs/dbraw/zinc/12/43/16/1430124316.db2.gz LAPYSNQSSJNKOQ-QGZVFWFLSA-N 0 0 385.508 3.358 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000180937184 1430124395 /nfs/dbraw/zinc/12/43/95/1430124395.db2.gz LAPYSNQSSJNKOQ-KRWDZBQOSA-N 0 0 385.508 3.358 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 ZINC000180948629 1430130534 /nfs/dbraw/zinc/13/05/34/1430130534.db2.gz GRMBSAAZLDUMML-AWEZNQCLSA-N 0 0 379.464 3.160 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000180958052 1430135474 /nfs/dbraw/zinc/13/54/74/1430135474.db2.gz KJHOOWUMEHNKCB-MJGOQNOKSA-N 0 0 398.459 3.288 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000180961237 1430137709 /nfs/dbraw/zinc/13/77/09/1430137709.db2.gz JGMJOPUHYIEQBC-RCCFBDPRSA-N 0 0 387.524 3.095 20 30 GGEDRN C=CCOc1ccc(C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)cc1OC ZINC000180965053 1430140387 /nfs/dbraw/zinc/14/03/87/1430140387.db2.gz MZRWFRXVPRWOQL-KRWDZBQOSA-N 0 0 380.444 3.075 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180970383 1430143345 /nfs/dbraw/zinc/14/33/45/1430143345.db2.gz CWGKKNPUWJWXQG-OAHLLOKOSA-N 0 0 392.521 3.202 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180970366 1430143545 /nfs/dbraw/zinc/14/35/45/1430143545.db2.gz CWGKKNPUWJWXQG-HNNXBMFYSA-N 0 0 392.521 3.202 20 30 GGEDRN C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000180979220 1430149104 /nfs/dbraw/zinc/14/91/04/1430149104.db2.gz ANIPELNEBJFFTD-SFHVURJKSA-N 0 0 384.779 3.087 20 30 GGEDRN C=CCc1cc(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)cc(OC)c1OC ZINC000180985191 1430152302 /nfs/dbraw/zinc/15/23/02/1430152302.db2.gz HVHXOOZGMILAOY-GOSISDBHSA-N 0 0 394.471 3.247 20 30 GGEDRN CC1(C)CN(CC(F)(F)F)CCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000180986432 1430153185 /nfs/dbraw/zinc/15/31/85/1430153185.db2.gz JLZHWPHZWRLWEZ-UHFFFAOYSA-N 0 0 385.455 3.277 20 30 GGEDRN Cc1cccc(S(=O)(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)c1C#N ZINC000181000391 1430160963 /nfs/dbraw/zinc/16/09/63/1430160963.db2.gz DQMWOGVJNXMWPW-UHFFFAOYSA-N 0 0 398.410 3.108 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000181004362 1430162978 /nfs/dbraw/zinc/16/29/78/1430162978.db2.gz QXCIENRSDUUEOX-UHFFFAOYSA-N 0 0 398.410 3.108 20 30 GGEDRN N#Cc1ccc(OCCNC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000181012534 1430166479 /nfs/dbraw/zinc/16/64/79/1430166479.db2.gz UQHPYLJTVNQUCL-RTBURBONSA-N 0 0 385.851 3.420 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)CNc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000181013642 1430167014 /nfs/dbraw/zinc/16/70/14/1430167014.db2.gz ZRJSTEDMBMISSE-CYBMUJFWSA-N 0 0 379.386 3.311 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)CNc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000181014215 1430167027 /nfs/dbraw/zinc/16/70/27/1430167027.db2.gz VBKBEPUJPOGXOK-KRWDZBQOSA-N 0 0 379.386 3.357 20 30 GGEDRN C[C@](C#N)(NC(=O)CNc1ccn(-c2cccc(C(F)(F)F)c2)n1)C1CC1 ZINC000181017094 1430168357 /nfs/dbraw/zinc/16/83/57/1430168357.db2.gz SRIHKOPQABRUFN-QGZVFWFLSA-N 0 0 377.370 3.111 20 30 GGEDRN COC[C@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)c1ccc(F)c(F)c1 ZINC000181050583 1430186585 /nfs/dbraw/zinc/18/65/85/1430186585.db2.gz YCNCQRXJWRNPHV-IBGZPJMESA-N 0 0 390.434 3.128 20 30 GGEDRN N#Cc1ccc(CNC(=O)C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)cc1 ZINC000181068578 1430196239 /nfs/dbraw/zinc/19/62/39/1430196239.db2.gz WESRBDHLSZKSTL-UHFFFAOYSA-N 0 0 398.413 3.082 20 30 GGEDRN N#Cc1cccc(CNC(=O)C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)c1 ZINC000181068550 1430196496 /nfs/dbraw/zinc/19/64/96/1430196496.db2.gz OPRAHRMHJPBTJP-UHFFFAOYSA-N 0 0 398.413 3.082 20 30 GGEDRN COC(=O)Nc1ccc(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1F ZINC000181086291 1430204765 /nfs/dbraw/zinc/20/47/65/1430204765.db2.gz XPDUXOGHKKUGLL-GOSISDBHSA-N 0 0 382.395 3.483 20 30 GGEDRN COC(=O)Nc1ccc(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1F ZINC000181086308 1430204937 /nfs/dbraw/zinc/20/49/37/1430204937.db2.gz XPDUXOGHKKUGLL-SFHVURJKSA-N 0 0 382.395 3.483 20 30 GGEDRN Cc1n[nH]cc1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000181104017 1430210816 /nfs/dbraw/zinc/21/08/16/1430210816.db2.gz UZHRXXQSBSDZQX-UHFFFAOYSA-N 0 0 397.382 3.320 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N ZINC000181102054 1430211053 /nfs/dbraw/zinc/21/10/53/1430211053.db2.gz SLSAHHNSWTUCIQ-INIZCTEOSA-N 0 0 380.496 3.303 20 30 GGEDRN CC(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@@H]1c1ccc([N+](=O)[O-])s1 ZINC000181106350 1430212564 /nfs/dbraw/zinc/21/25/64/1430212564.db2.gz QLDRRTBARPGFNH-OAHLLOKOSA-N 0 0 377.422 3.315 20 30 GGEDRN CCCNc1ccc(C#N)cc1NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000181120728 1430217144 /nfs/dbraw/zinc/21/71/44/1430217144.db2.gz AHVJVFYLLMKHAQ-QZTJIDSGSA-N 0 0 396.472 3.023 20 30 GGEDRN C=CCn1c(SCc2nnc(C3CC3)n2C2CC2)nnc1-c1cnccn1 ZINC000181132886 1430221348 /nfs/dbraw/zinc/22/13/48/1430221348.db2.gz XWUMAAYPILRYBB-UHFFFAOYSA-N 0 0 380.481 3.017 20 30 GGEDRN CCN(C(=O)Nc1cccc(C#Cc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000181148250 1430226809 /nfs/dbraw/zinc/22/68/09/1430226809.db2.gz SPBLTTKKTGOMST-FQEVSTJZSA-N 0 0 382.485 3.127 20 30 GGEDRN CCCCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000181162805 1430233262 /nfs/dbraw/zinc/23/32/62/1430233262.db2.gz BWABROCLWHTVDF-KRWDZBQOSA-N 0 0 377.510 3.309 20 30 GGEDRN CCn1nc(C)c(NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)c1C ZINC000181175926 1430238199 /nfs/dbraw/zinc/23/81/99/1430238199.db2.gz IPDJTRHABFPOTP-UHFFFAOYSA-N 0 0 386.455 3.497 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)cc1 ZINC000181177077 1430238573 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GGEDRN CCc1nn(C)cc1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000181250705 1430256676 /nfs/dbraw/zinc/25/66/76/1430256676.db2.gz REBYQGYLSBBISZ-LBPRGKRZSA-N 0 0 378.404 3.258 20 30 GGEDRN CCC[C@@H](NC(=O)c1c[nH]c(C#N)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000181271500 1430260652 /nfs/dbraw/zinc/26/06/52/1430260652.db2.gz YWQVNPVYFWRDCG-LJQANCHMSA-N 0 0 379.464 3.024 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNS(=O)(=O)c2cccc(C)c2F)ccc1OC ZINC000181287147 1430263532 /nfs/dbraw/zinc/26/35/32/1430263532.db2.gz CJOBEZKVJGFYFD-OAHLLOKOSA-N 0 0 392.452 3.302 20 30 GGEDRN COCCOc1ccc(C#N)cc1N[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000181341576 1430277262 /nfs/dbraw/zinc/27/72/62/1430277262.db2.gz FXACGSFUXRTSOM-SJORKVTESA-N 0 0 381.476 3.304 20 30 GGEDRN COCCOc1ccc(C#N)cc1N[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000181342687 1430277677 /nfs/dbraw/zinc/27/76/77/1430277677.db2.gz KOZZCGLQOGODEL-LBPRGKRZSA-N 0 0 375.375 3.301 20 30 GGEDRN Cn1c(COC(=O)C(C)(C)Oc2ccc(C#N)cc2)nnc1-c1ccccc1 ZINC000181342137 1430277794 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CC[C@](NC(=O)c1cccc(COc2ccccc2C#N)c1)(C(N)=O)C(C)C ZINC000182404198 1430461500 /nfs/dbraw/zinc/46/15/00/1430461500.db2.gz JQRJSBFFXHXMEH-JOCHJYFZSA-N 0 0 379.460 3.157 20 30 GGEDRN CC[C@@](NC(=O)c1cccc(COc2ccccc2C#N)c1)(C(N)=O)C(C)C ZINC000182404215 1430461529 /nfs/dbraw/zinc/46/15/29/1430461529.db2.gz JQRJSBFFXHXMEH-QFIPXVFZSA-N 0 0 379.460 3.157 20 30 GGEDRN Cc1ccccc1-n1nccc1NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000182412449 1430463045 /nfs/dbraw/zinc/46/30/45/1430463045.db2.gz YXLSCPAMVPMFIE-UHFFFAOYSA-N 0 0 386.459 3.407 20 30 GGEDRN CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)C1(C(N)=O)CCCC1 ZINC000182415024 1430463823 /nfs/dbraw/zinc/46/38/23/1430463823.db2.gz AWQISGKSGOMTLV-UHFFFAOYSA-N 0 0 377.444 3.007 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cc(C)nn1C(CC)CC ZINC000182431962 1430466709 /nfs/dbraw/zinc/46/67/09/1430466709.db2.gz JDNHOEIPBDLBNX-UHFFFAOYSA-N 0 0 386.456 3.092 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)C[C@@](C)(O)c2ccccc2)ccc1OC ZINC000182443116 1430468638 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GGEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000182515006 1430481986 /nfs/dbraw/zinc/48/19/86/1430481986.db2.gz DRQRMXXUATUABW-QGZVFWFLSA-N 0 0 390.361 3.050 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)c2cnc(OCC3CC3)c(Cl)c2)CC1 ZINC000182529268 1430484279 /nfs/dbraw/zinc/48/42/79/1430484279.db2.gz PYXNMEYXJAJVRR-UHFFFAOYSA-N 0 0 396.878 3.358 20 30 GGEDRN C=CCNC(=O)CNC(=O)Nc1ccc2ccn(Cc3cccc(OC)c3)c2c1 ZINC000182544833 1430487657 /nfs/dbraw/zinc/48/76/57/1430487657.db2.gz SARLHYGWLKPSJI-UHFFFAOYSA-N 0 0 392.459 3.122 20 30 GGEDRN Cc1cc(C)c(NC(=O)CNC(=O)CNc2ccccc2O[C@H](C)C#N)c(C)c1 ZINC000182561243 1430492394 /nfs/dbraw/zinc/49/23/94/1430492394.db2.gz JZSROCKJFXZPGH-QGZVFWFLSA-N 0 0 394.475 3.070 20 30 GGEDRN Cc1cc(C)c(NC(=O)CNC(=O)CNc2ccccc2O[C@@H](C)C#N)c(C)c1 ZINC000182561226 1430492491 /nfs/dbraw/zinc/49/24/91/1430492491.db2.gz JZSROCKJFXZPGH-KRWDZBQOSA-N 0 0 394.475 3.070 20 30 GGEDRN C=CCOc1ccccc1C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 ZINC000182569953 1430494886 /nfs/dbraw/zinc/49/48/86/1430494886.db2.gz AVMVKPWSMRGOKD-UHFFFAOYSA-N 0 0 393.487 3.168 20 30 GGEDRN C=C(C)CN(C)C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000182574807 1430495727 /nfs/dbraw/zinc/49/57/27/1430495727.db2.gz UFGXOOONMQEUTG-KRWDZBQOSA-N 0 0 385.430 3.296 20 30 GGEDRN CCN(CC)C(=O)CCC1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000182574534 1430495738 /nfs/dbraw/zinc/49/57/38/1430495738.db2.gz WFAUTVFVWOUPIJ-KRWDZBQOSA-N 0 0 384.524 3.246 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NCC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000182573146 1430495750 /nfs/dbraw/zinc/49/57/50/1430495750.db2.gz DKVDCRLCNREQHV-MRXNPFEDSA-N 0 0 385.439 3.456 20 30 GGEDRN COc1ccc(CN2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)cc1C#N ZINC000182579788 1430496707 /nfs/dbraw/zinc/49/67/07/1430496707.db2.gz RCDSMGBDYLGURP-SFHVURJKSA-N 0 0 389.377 3.259 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NCc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000182587205 1430498015 /nfs/dbraw/zinc/49/80/15/1430498015.db2.gz KOFIZRVRSNNBAO-GFCCVEGCSA-N 0 0 386.362 3.167 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000182587276 1430498157 /nfs/dbraw/zinc/49/81/57/1430498157.db2.gz XXZUYYNSOWABSN-JKSUJKDBSA-N 0 0 382.501 3.087 20 30 GGEDRN Cc1cccc(NC(=O)COc2ccc(CCNC(=O)NC[C@H](C)C#N)cc2)c1 ZINC000182603945 1430500845 /nfs/dbraw/zinc/50/08/45/1430500845.db2.gz YOQWBMILCWLJEC-QGZVFWFLSA-N 0 0 394.475 3.014 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182610791 1430502220 /nfs/dbraw/zinc/50/22/20/1430502220.db2.gz GWMYJQMXFCZYOF-WMZOPIPTSA-N 0 0 383.414 3.133 20 30 GGEDRN COc1ccc([C@H](NC(=O)COc2ccc(C#N)cc2OC)C(F)(F)F)cc1 ZINC000182611936 1430502344 /nfs/dbraw/zinc/50/23/44/1430502344.db2.gz JPFRGFAYNKOCEM-SFHVURJKSA-N 0 0 394.349 3.374 20 30 GGEDRN C[C@H](C[S@@](C)=O)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000182618413 1430503427 /nfs/dbraw/zinc/50/34/27/1430503427.db2.gz ROSGMCTXKKYFGN-YVORESIASA-N 0 0 387.480 3.176 20 30 GGEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CSc2nc3cc(Cl)ccc3o2)CC1 ZINC000182633890 1430506475 /nfs/dbraw/zinc/50/64/75/1430506475.db2.gz XOLSVCQIDDJYFC-HNNXBMFYSA-N 0 0 392.912 3.266 20 30 GGEDRN COc1ccc([C@@H](NC(=O)C#Cc2ccc3c(c2)OCO3)C(F)(F)F)cc1 ZINC000182638061 1430507052 /nfs/dbraw/zinc/50/70/52/1430507052.db2.gz UVVADURHARUDOY-GOSISDBHSA-N 0 0 377.318 3.195 20 30 GGEDRN Cc1cccc(NC(=O)CN(C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000182639808 1430508012 /nfs/dbraw/zinc/50/80/12/1430508012.db2.gz NLARIBSQIRMARL-NRFANRHFSA-N 0 0 390.487 3.241 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000182647609 1430509387 /nfs/dbraw/zinc/50/93/87/1430509387.db2.gz VGONJTFJNZCYPM-QGZVFWFLSA-N 0 0 378.538 3.265 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](N3CCO[C@H](c4ccc(F)cc4)C3)C2=O)cc1 ZINC000182648997 1430510082 /nfs/dbraw/zinc/51/00/82/1430510082.db2.gz LHKHMBBTLWGFJM-RTWAWAEBSA-N 0 0 379.435 3.266 20 30 GGEDRN Cc1ccc([C@@H](NC(=O)NC[C@@H](C)C#N)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000182688674 1430517497 /nfs/dbraw/zinc/51/74/97/1430517497.db2.gz WLMOHZIYXNCELF-YWZLYKJASA-N 0 0 399.516 3.255 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1nnc2ccccn21 ZINC000182695915 1430519588 /nfs/dbraw/zinc/51/95/88/1430519588.db2.gz AWKKLJKKCUAJJD-GJZGRUSLSA-N 0 0 394.504 3.270 20 30 GGEDRN C#CCOc1ccc([C@H](C)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 ZINC000182705272 1430522469 /nfs/dbraw/zinc/52/24/69/1430522469.db2.gz FUVJKQMFAAHWEG-SFHVURJKSA-N 0 0 393.487 3.142 20 30 GGEDRN C[C@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1ccc(OCC#N)cc1 ZINC000182707593 1430523194 /nfs/dbraw/zinc/52/31/94/1430523194.db2.gz DWCARLPXALMUDX-KRWDZBQOSA-N 0 0 394.475 3.033 20 30 GGEDRN CCS(=O)(=O)c1ccc2oc(CSc3nnc(C)c(C)c3C#N)nc2c1 ZINC000182707803 1430523545 /nfs/dbraw/zinc/52/35/45/1430523545.db2.gz NPWBBXLDHJTQTQ-UHFFFAOYSA-N 0 0 388.474 3.192 20 30 GGEDRN Cc1nnc(SCC(=O)NCCc2ccc(OC(C)C)cc2)c(C#N)c1C ZINC000182710360 1430524057 /nfs/dbraw/zinc/52/40/57/1430524057.db2.gz VXORIYZYISWVQX-UHFFFAOYSA-N 0 0 384.505 3.203 20 30 GGEDRN Cc1nnc(SCc2csc(-c3c(C)c(C)nn(C)c3=O)n2)c(C#N)c1C ZINC000182714164 1430525094 /nfs/dbraw/zinc/52/50/94/1430525094.db2.gz BTXMIMMJHDCJNL-UHFFFAOYSA-N 0 0 398.517 3.091 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](N3CCO[C@@H](c4cccc(F)c4)C3)C2=O)cc1 ZINC000182740152 1430530888 /nfs/dbraw/zinc/53/08/88/1430530888.db2.gz UNHYPYRDSGAUIT-NHCUHLMSSA-N 0 0 379.435 3.266 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](N3CCO[C@H](c4ccc(F)c(F)c4)C3)C2=O)cc1 ZINC000182740265 1430531237 /nfs/dbraw/zinc/53/12/37/1430531237.db2.gz CUPOXDSDVVTBJP-RTWAWAEBSA-N 0 0 397.425 3.405 20 30 GGEDRN N#CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000182782515 1430539112 /nfs/dbraw/zinc/53/91/12/1430539112.db2.gz JGCFEUVOJYLWAF-UHFFFAOYSA-N 0 0 388.493 3.158 20 30 GGEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC[C@H]2CCCCO2)CC1 ZINC000182796600 1430541813 /nfs/dbraw/zinc/54/18/13/1430541813.db2.gz PEIVSFNVBRFHMH-MRXNPFEDSA-N 0 0 398.463 3.098 20 30 GGEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC[C@@H]2CCCCO2)CC1 ZINC000182796580 1430541920 /nfs/dbraw/zinc/54/19/20/1430541920.db2.gz PEIVSFNVBRFHMH-INIZCTEOSA-N 0 0 398.463 3.098 20 30 GGEDRN N#C[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2F)CCN1Cc1ccccc1 ZINC000182800435 1430542194 /nfs/dbraw/zinc/54/21/94/1430542194.db2.gz XXPJBOOJRMEZAA-AWEZNQCLSA-N 0 0 375.806 3.468 20 30 GGEDRN Cc1oc(NC(=O)CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(C#N)c1C ZINC000182804342 1430543166 /nfs/dbraw/zinc/54/31/66/1430543166.db2.gz GLDGLRHLVDVNEZ-ZDUSSCGKSA-N 0 0 395.385 3.259 20 30 GGEDRN CCS(=O)(=O)c1cc(F)ccc1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000182811174 1430544475 /nfs/dbraw/zinc/54/44/75/1430544475.db2.gz YPJBKADYPPUNQW-UHFFFAOYSA-N 0 0 375.425 3.155 20 30 GGEDRN CC(C)(C)OC(=O)NC1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182859314 1430555588 /nfs/dbraw/zinc/55/55/88/1430555588.db2.gz XANPSRFEDWNHCY-IBGZPJMESA-N 0 0 398.507 3.043 20 30 GGEDRN CC(C)(C)S(=O)(=O)CCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000182875400 1430559065 /nfs/dbraw/zinc/55/90/65/1430559065.db2.gz KAWUMOBFIWGNIV-UHFFFAOYSA-N 0 0 386.473 3.294 20 30 GGEDRN N#CCOc1ccc(CC(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000182893936 1430564393 /nfs/dbraw/zinc/56/43/93/1430564393.db2.gz KRJGSXKKWKHDPW-OAHLLOKOSA-N 0 0 392.381 3.210 20 30 GGEDRN CCc1nc(CO/N=C(\C)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)no1 ZINC000182898609 1430565975 /nfs/dbraw/zinc/56/59/75/1430565975.db2.gz CBERRGRHILYCKU-YSURURNPSA-N 0 0 394.357 3.481 20 30 GGEDRN N#CCOc1ccccc1C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182901608 1430567117 /nfs/dbraw/zinc/56/71/17/1430567117.db2.gz IMQAOMZKYRTHPE-ZDUSSCGKSA-N 0 0 378.354 3.282 20 30 GGEDRN N#Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1Cl ZINC000182909516 1430568712 /nfs/dbraw/zinc/56/87/12/1430568712.db2.gz CGFAMNREISGRQM-UHFFFAOYSA-N 0 0 386.795 3.209 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1 ZINC000182913721 1430569796 /nfs/dbraw/zinc/56/97/96/1430569796.db2.gz GIPLPUPCADOWBF-UHFFFAOYSA-N 0 0 376.416 3.387 20 30 GGEDRN N#CCCN(C(=O)CCC(=O)N1CCCc2cccc(O)c21)c1ccccc1 ZINC000182923716 1430572682 /nfs/dbraw/zinc/57/26/82/1430572682.db2.gz JWYUNTXVOGNQTJ-UHFFFAOYSA-N 0 0 377.444 3.398 20 30 GGEDRN CN(CC(C)(CO)CO)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000182935787 1430575617 /nfs/dbraw/zinc/57/56/17/1430575617.db2.gz OEMUGMYYBBKSFS-UHFFFAOYSA-N 0 0 388.851 3.067 20 30 GGEDRN Cc1csc([C@@H](C)CNC(=O)C(=O)Nc2ccccc2SCCC#N)n1 ZINC000182938514 1430576502 /nfs/dbraw/zinc/57/65/02/1430576502.db2.gz WTDTVLMIKRCQTJ-LBPRGKRZSA-N 0 0 388.518 3.316 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000182960118 1430580893 /nfs/dbraw/zinc/58/08/93/1430580893.db2.gz AJJIIQRAZNCLDW-JOJWKMGHSA-N 0 0 392.525 3.366 20 30 GGEDRN CC[C@H]1c2ccsc2CCN1C(=O)CON=C1CCC2(CC1)OCCO2 ZINC000182973598 1430583465 /nfs/dbraw/zinc/58/34/65/1430583465.db2.gz VYFJGDNERQTKRK-INIZCTEOSA-N 0 0 378.494 3.274 20 30 GGEDRN C#CCOc1ccc([C@H](C)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1 ZINC000182987943 1430586374 /nfs/dbraw/zinc/58/63/74/1430586374.db2.gz QHOTXLIUWDBXDO-SFHVURJKSA-N 0 0 378.472 3.273 20 30 GGEDRN CCOC(=O)c1c(NC(=O)[C@H](C)CC2CCCC2)c(C#N)cn1CCOC ZINC000182989881 1430586903 /nfs/dbraw/zinc/58/69/03/1430586903.db2.gz BSAUFBSFDGUDFN-CQSZACIVSA-N 0 0 375.469 3.338 20 30 GGEDRN CCOC(=O)c1c(NC(=O)C2CCC(C)(C)CC2)c(C#N)cn1CCOC ZINC000182991440 1430587148 /nfs/dbraw/zinc/58/71/48/1430587148.db2.gz IFCLKTZXCSAANG-UHFFFAOYSA-N 0 0 375.469 3.338 20 30 GGEDRN CCOC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C#N)cn1CCOC ZINC000182991627 1430587188 /nfs/dbraw/zinc/58/71/88/1430587188.db2.gz ZQPOMGUBIKFIEC-UHFFFAOYSA-N 0 0 399.491 3.338 20 30 GGEDRN CCOC(=O)c1c(NC(=O)Cc2cccc(Cl)c2)c(C#N)cn1CCOC ZINC000182992966 1430587353 /nfs/dbraw/zinc/58/73/53/1430587353.db2.gz UVESVJDOKGRTRS-UHFFFAOYSA-N 0 0 389.839 3.017 20 30 GGEDRN CCOC(=O)c1c(NC(=O)c2oc3ccccc3c2C)c(C#N)cn1CCOC ZINC000182992160 1430587483 /nfs/dbraw/zinc/58/74/83/1430587483.db2.gz AAORDFRPMNOLLY-UHFFFAOYSA-N 0 0 395.415 3.490 20 30 GGEDRN CCOC(=O)c1c(NC(=O)Cc2c(C)cc(C)cc2C)c(C#N)cn1CCOC ZINC000183000892 1430589159 /nfs/dbraw/zinc/58/91/59/1430589159.db2.gz SYJZWPGSJVIOHN-UHFFFAOYSA-N 0 0 397.475 3.289 20 30 GGEDRN CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2F)c(C#N)cn1CCOC ZINC000183002123 1430589671 /nfs/dbraw/zinc/58/96/71/1430589671.db2.gz AIYJOKSJPGYRMW-UHFFFAOYSA-N 0 0 393.802 3.228 20 30 GGEDRN CCOC(=O)c1c(NC(=O)[C@@H](C)c2cccc(F)c2)c(C#N)cn1CCOC ZINC000183006585 1430590942 /nfs/dbraw/zinc/59/09/42/1430590942.db2.gz XLUOKPTUIYRXFZ-ZDUSSCGKSA-N 0 0 387.411 3.064 20 30 GGEDRN CC[C@@H]1c2ccsc2CCN1C(=O)CON=C(N)COc1ccc(F)cc1 ZINC000183017455 1430593561 /nfs/dbraw/zinc/59/35/61/1430593561.db2.gz RPRPOJFWWTVPKW-MRXNPFEDSA-N 0 0 391.468 3.091 20 30 GGEDRN C=CCOCCCC(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000183021586 1430594480 /nfs/dbraw/zinc/59/44/80/1430594480.db2.gz BUEFKBURXIMPCH-KRWDZBQOSA-N 0 0 398.425 3.295 20 30 GGEDRN Cc1nn(-c2ccccc2)cc1CNS(=O)(=O)c1cccc(Cl)c1C#N ZINC000183038796 1430598324 /nfs/dbraw/zinc/59/83/24/1430598324.db2.gz ZWBAKMIZWMJBFE-UHFFFAOYSA-N 0 0 386.864 3.184 20 30 GGEDRN C=C(C)CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000183050566 1430600048 /nfs/dbraw/zinc/60/00/48/1430600048.db2.gz LLWKZYYCIUOYEP-UHFFFAOYSA-N 0 0 380.416 3.414 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)CCC(=O)c1ccc(F)cc1F ZINC000183065429 1430603293 /nfs/dbraw/zinc/60/32/93/1430603293.db2.gz ASNIXLWONKDUAZ-UHFFFAOYSA-N 0 0 388.370 3.463 20 30 GGEDRN C=CCN(C(=O)Nc1ccc2nc(C3CC3)sc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000183067349 1430604012 /nfs/dbraw/zinc/60/40/12/1430604012.db2.gz HUMGCQNWDFUWSC-AWEZNQCLSA-N 0 0 391.518 3.381 20 30 GGEDRN C=CCN(C(=O)Nc1ccc2nc(C3CC3)sc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000183067331 1430604385 /nfs/dbraw/zinc/60/43/85/1430604385.db2.gz HUMGCQNWDFUWSC-CQSZACIVSA-N 0 0 391.518 3.381 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 ZINC000183073365 1430606202 /nfs/dbraw/zinc/60/62/02/1430606202.db2.gz OGRFDOUKAFXVAL-QGZVFWFLSA-N 0 0 398.507 3.366 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 ZINC000183073343 1430606231 /nfs/dbraw/zinc/60/62/31/1430606231.db2.gz OGRFDOUKAFXVAL-KRWDZBQOSA-N 0 0 398.507 3.366 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2C[C@H](n3cccn3)Cc3ccccc32)c(Cl)c1 ZINC000183077303 1430607303 /nfs/dbraw/zinc/60/73/03/1430607303.db2.gz FOHGFQCZZPGEIC-MRXNPFEDSA-N 0 0 398.875 3.401 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Nc2cccn(Cc3ccccc3)c2=O)c(Cl)c1 ZINC000183086211 1430609654 /nfs/dbraw/zinc/60/96/54/1430609654.db2.gz HONHOUIHPTYSTI-UHFFFAOYSA-N 0 0 399.859 3.222 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000183101301 1430613061 /nfs/dbraw/zinc/61/30/61/1430613061.db2.gz PHLQEBFWVZLLKN-HZPDHXFCSA-N 0 0 384.480 3.280 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000183101281 1430613139 /nfs/dbraw/zinc/61/31/39/1430613139.db2.gz PHLQEBFWVZLLKN-JKSUJKDBSA-N 0 0 384.480 3.280 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)CNC(=O)c1ccccc1C(F)(F)F ZINC000183105930 1430614194 /nfs/dbraw/zinc/61/41/94/1430614194.db2.gz AKORAUHDCNLWME-GFCCVEGCSA-N 0 0 391.349 3.365 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)CNC(=O)Cc1cccc2ccccc21 ZINC000183107331 1430615288 /nfs/dbraw/zinc/61/52/88/1430615288.db2.gz QTOUTFVTGJVVSF-INIZCTEOSA-N 0 0 387.439 3.428 20 30 GGEDRN Cc1ccc(C2N=NC(=S)N2CC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 ZINC000183107879 1430615870 /nfs/dbraw/zinc/61/58/70/1430615870.db2.gz LYYVYUFAWCAFRY-AWEZNQCLSA-N 0 0 393.472 3.472 20 30 GGEDRN COCCOC[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000183110690 1430616255 /nfs/dbraw/zinc/61/62/55/1430616255.db2.gz NEDPDMGLWDVSGR-KRWDZBQOSA-N 0 0 380.444 3.476 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N2CCO[C@H](CCc3ccccc3)C2)ccc1Cl ZINC000183114290 1430617661 /nfs/dbraw/zinc/61/76/61/1430617661.db2.gz QGSHHLCLLBTONM-GOSISDBHSA-N 0 0 397.862 3.010 20 30 GGEDRN CNC(=O)CC1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000183136331 1430625335 /nfs/dbraw/zinc/62/53/35/1430625335.db2.gz RDRPGQAOLCUMQU-UHFFFAOYSA-N 0 0 377.444 3.339 20 30 GGEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000183139039 1430625967 /nfs/dbraw/zinc/62/59/67/1430625967.db2.gz WNWWIDPLGIHBGR-JTQLQIEISA-N 0 0 382.390 3.454 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1 ZINC000183153475 1430630481 /nfs/dbraw/zinc/63/04/81/1430630481.db2.gz FHUDIYZQTZPUFP-ABSDTBQOSA-N 0 0 397.519 3.380 20 30 GGEDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CCC#N)c1ccccc1 ZINC000183157595 1430632897 /nfs/dbraw/zinc/63/28/97/1430632897.db2.gz HUQYIRZIFJBQHA-OAHLLOKOSA-N 0 0 377.397 3.366 20 30 GGEDRN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183182773 1430641544 /nfs/dbraw/zinc/64/15/44/1430641544.db2.gz ZRDYLODEVDVYLK-ZDUSSCGKSA-N 0 0 391.397 3.438 20 30 GGEDRN COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183184840 1430642073 /nfs/dbraw/zinc/64/20/73/1430642073.db2.gz NBYILSYJEPLSRW-KRWDZBQOSA-N 0 0 392.381 3.325 20 30 GGEDRN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(Sc2ccc(C)cc2C)cc1 ZINC000183187792 1430642678 /nfs/dbraw/zinc/64/26/78/1430642678.db2.gz PHDKGKHIITVPHE-KRWDZBQOSA-N 0 0 384.501 3.446 20 30 GGEDRN COc1ccc2ccccc2c1-c1cc(CON=C(N)c2cnccn2)on1 ZINC000183188906 1430643020 /nfs/dbraw/zinc/64/30/20/1430643020.db2.gz LOWISLJJBUHSQD-UHFFFAOYSA-N 0 0 375.388 3.131 20 30 GGEDRN N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000183194251 1430644418 /nfs/dbraw/zinc/64/44/18/1430644418.db2.gz RSJNZUONWWXDCK-OAHLLOKOSA-N 0 0 391.496 3.450 20 30 GGEDRN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1 ZINC000183197639 1430645555 /nfs/dbraw/zinc/64/55/55/1430645555.db2.gz JEAMLMWXXXFTSZ-QGZVFWFLSA-N 0 0 384.501 3.446 20 30 GGEDRN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000183198333 1430645618 /nfs/dbraw/zinc/64/56/18/1430645618.db2.gz FYRHIQSRXLXLBF-HNNXBMFYSA-N 0 0 390.892 3.483 20 30 GGEDRN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183198040 1430645688 /nfs/dbraw/zinc/64/56/88/1430645688.db2.gz ZQJKWXFYNJVLBV-ZDUSSCGKSA-N 0 0 391.397 3.438 20 30 GGEDRN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 ZINC000183202719 1430646904 /nfs/dbraw/zinc/64/69/04/1430646904.db2.gz BEGNSUUQNPREJG-CQSZACIVSA-N 0 0 390.892 3.483 20 30 GGEDRN CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCO1 ZINC000183207839 1430648456 /nfs/dbraw/zinc/64/84/56/1430648456.db2.gz RSAZOONKKZQBFT-IEBWSBKVSA-N 0 0 381.480 3.040 20 30 GGEDRN COCCc1noc(CN(C)C(=O)c2ccccc2Oc2ccccc2C#N)n1 ZINC000183217548 1430650602 /nfs/dbraw/zinc/65/06/02/1430650602.db2.gz OHCIRPLDDASZLI-UHFFFAOYSA-N 0 0 392.415 3.195 20 30 GGEDRN CCN(C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000183228610 1430654030 /nfs/dbraw/zinc/65/40/30/1430654030.db2.gz KUQJZGGXRNMXLB-HNNXBMFYSA-N 0 0 394.431 3.114 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)c2csc(-c3ccc(F)c(F)c3)n2)c1 ZINC000183233858 1430655373 /nfs/dbraw/zinc/65/53/73/1430655373.db2.gz NMHKJHKBBXGCNR-UHFFFAOYSA-N 0 0 397.406 3.438 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H]2CC(=O)c2cccs2)c(F)c1 ZINC000183250496 1430659379 /nfs/dbraw/zinc/65/93/79/1430659379.db2.gz UENQYESCPBCTKL-GFCCVEGCSA-N 0 0 396.440 3.324 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000183250792 1430660252 /nfs/dbraw/zinc/66/02/52/1430660252.db2.gz NZWNAXWRWSRPON-KRWDZBQOSA-N 0 0 390.411 3.263 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000183254879 1430660962 /nfs/dbraw/zinc/66/09/62/1430660962.db2.gz JMEFADMGMJWHQK-GOSISDBHSA-N 0 0 386.448 3.432 20 30 GGEDRN C[C@@H](CNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1)c1nccs1 ZINC000183258748 1430662096 /nfs/dbraw/zinc/66/20/96/1430662096.db2.gz WRIXECRHSKCUFB-INIZCTEOSA-N 0 0 389.480 3.401 20 30 GGEDRN C[C@H](CNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1)c1nccs1 ZINC000183258765 1430662194 /nfs/dbraw/zinc/66/21/94/1430662194.db2.gz WRIXECRHSKCUFB-MRXNPFEDSA-N 0 0 389.480 3.401 20 30 GGEDRN C[C@@H](CNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1)c1nccs1 ZINC000183262088 1430662915 /nfs/dbraw/zinc/66/29/15/1430662915.db2.gz GJPMATXNJLUJPD-INIZCTEOSA-N 0 0 389.480 3.401 20 30 GGEDRN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C2N=NC(=S)O2)cc1 ZINC000183277734 1430668037 /nfs/dbraw/zinc/66/80/37/1430668037.db2.gz FASHLVFTLWCSLP-UHFFFAOYSA-N 0 0 380.429 3.193 20 30 GGEDRN COc1ccccc1N1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000183295944 1430671813 /nfs/dbraw/zinc/67/18/13/1430671813.db2.gz NDSFKKHESGMBJQ-UHFFFAOYSA-N 0 0 387.487 3.290 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC000183376204 1430693882 /nfs/dbraw/zinc/69/38/82/1430693882.db2.gz LWIYPVFTEABGTA-UZLBHIALSA-N 0 0 379.460 3.262 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)Nc2c(C)noc2-c2ccccc2)c1 ZINC000183383392 1430696596 /nfs/dbraw/zinc/69/65/96/1430696596.db2.gz FQECRSFXXJLMBH-UHFFFAOYSA-N 0 0 397.456 3.367 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCOc3cc(F)ccc32)cc1Cl ZINC000183386509 1430697557 /nfs/dbraw/zinc/69/75/57/1430697557.db2.gz GFAFVQPNSOCKRV-INIZCTEOSA-N 0 0 387.798 3.319 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(C)c2)C1 ZINC000183389193 1430698268 /nfs/dbraw/zinc/69/82/68/1430698268.db2.gz BJIQJPWIPRFYPG-HNNXBMFYSA-N 0 0 381.407 3.396 20 30 GGEDRN C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc(-c2nnc(COC)o2)c1 ZINC000183394321 1430700600 /nfs/dbraw/zinc/70/06/00/1430700600.db2.gz LPEKVGVCZAGHAB-UHFFFAOYSA-N 0 0 379.391 3.298 20 30 GGEDRN CCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183395774 1430700857 /nfs/dbraw/zinc/70/08/57/1430700857.db2.gz WOHWKLSJTBNXFW-AWEZNQCLSA-N 0 0 392.864 3.062 20 30 GGEDRN COc1ccc([C@H](NC[C@@H](O)COc2ccc(C#N)cc2)C(F)(F)F)cc1 ZINC000183398616 1430701927 /nfs/dbraw/zinc/70/19/27/1430701927.db2.gz RKHNTUKNEGVVQP-QAPCUYQASA-N 0 0 380.366 3.200 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)N(C)Cc2cc(F)c(F)c(F)c2)c1 ZINC000183413514 1430705048 /nfs/dbraw/zinc/70/50/48/1430705048.db2.gz DJHMUJFNDJSJMM-UHFFFAOYSA-N 0 0 378.350 3.266 20 30 GGEDRN CN(C)C(=O)NCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000183424822 1430708319 /nfs/dbraw/zinc/70/83/19/1430708319.db2.gz IGCPIEMPVCVWNR-KRWDZBQOSA-N 0 0 399.882 3.388 20 30 GGEDRN CC1(C)C[C@H](NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C(C)(C)O1 ZINC000183429232 1430709493 /nfs/dbraw/zinc/70/94/93/1430709493.db2.gz OKJVGRCZFFZFPB-JCYILVPMSA-N 0 0 386.496 3.289 20 30 GGEDRN N#C[C@H]1CN(Cc2c(C3CC3)nc3sccn23)CCN1Cc1ccccc1 ZINC000183451031 1430714822 /nfs/dbraw/zinc/71/48/22/1430714822.db2.gz KWBWCDZWRMMUAH-SFHVURJKSA-N 0 0 377.517 3.483 20 30 GGEDRN CC(C)C(=O)Nc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000183454436 1430715621 /nfs/dbraw/zinc/71/56/21/1430715621.db2.gz MXYNXZIOSDZEHD-UHFFFAOYSA-N 0 0 391.880 3.285 20 30 GGEDRN C[C@@H](O)[C@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000183472494 1430720565 /nfs/dbraw/zinc/72/05/65/1430720565.db2.gz TWELZNRIWJKHAP-PBHICJAKSA-N 0 0 378.432 3.045 20 30 GGEDRN C[C@H](C[S@](C)=O)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000183477572 1430722029 /nfs/dbraw/zinc/72/20/29/1430722029.db2.gz NZLUZAVCFSAPCK-RXAIFQJESA-N 0 0 385.489 3.220 20 30 GGEDRN COc1cc(F)c([C@@H](C)NCC(=O)N(CCC#N)c2ccccc2)cc1OC ZINC000183485987 1430724290 /nfs/dbraw/zinc/72/42/90/1430724290.db2.gz BVQOCJAXNGZYRX-OAHLLOKOSA-N 0 0 385.439 3.440 20 30 GGEDRN CCCOc1ccc(CN(Cc2ccccc2)C(=O)Cn2cnc(C#N)n2)cc1 ZINC000183485577 1430724519 /nfs/dbraw/zinc/72/45/19/1430724519.db2.gz JGYFLEHMOUNMEK-UHFFFAOYSA-N 0 0 389.459 3.168 20 30 GGEDRN N#C[C@H](C(=O)c1ccnc(O[C@H]2CCOC2)c1)c1nc2ccccc2n1C(F)F ZINC000183504210 1430729994 /nfs/dbraw/zinc/72/99/94/1430729994.db2.gz KOJSKCRGCOQIAL-UONOGXRCSA-N 0 0 398.369 3.484 20 30 GGEDRN CCCC(=O)Nc1cccc(CNS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183504358 1430730178 /nfs/dbraw/zinc/73/01/78/1430730178.db2.gz PTJCPVFNNRRFIC-UHFFFAOYSA-N 0 0 391.880 3.429 20 30 GGEDRN CNc1nnc(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)s1 ZINC000183514049 1430732093 /nfs/dbraw/zinc/73/20/93/1430732093.db2.gz KLRAHRAPPYAJPI-UHFFFAOYSA-N 0 0 379.445 3.212 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl ZINC000183523494 1430734615 /nfs/dbraw/zinc/73/46/15/1430734615.db2.gz YFTCPLNZPJOQSD-GOSISDBHSA-N 0 0 398.850 3.315 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)c(Cl)c1 ZINC000183541945 1430738286 /nfs/dbraw/zinc/73/82/86/1430738286.db2.gz LYLYTXAUODOSDW-AWEZNQCLSA-N 0 0 393.871 3.156 20 30 GGEDRN N#Cc1ccc(CN(C2CC2)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000183579146 1430745597 /nfs/dbraw/zinc/74/55/97/1430745597.db2.gz BBWMAGJLRUVLJQ-UHFFFAOYSA-N 0 0 385.445 3.003 20 30 GGEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1ccccc1C[S@@](C)=O)c1ccccc1 ZINC000183589941 1430748660 /nfs/dbraw/zinc/74/86/60/1430748660.db2.gz PPBHGAMAYCEWEY-DNOBIOAJSA-N 0 0 384.501 3.327 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)c(Cl)c1 ZINC000183637704 1430759971 /nfs/dbraw/zinc/75/99/71/1430759971.db2.gz AXKFWSWWTROIEE-INIZCTEOSA-N 0 0 398.818 3.252 20 30 GGEDRN C=CCCCCCN(C)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000183643873 1430762093 /nfs/dbraw/zinc/76/20/93/1430762093.db2.gz IAOCXIBLIMVZTB-UHFFFAOYSA-N 0 0 379.526 3.114 20 30 GGEDRN COc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1OCCCC#N ZINC000183664257 1430766619 /nfs/dbraw/zinc/76/66/19/1430766619.db2.gz LAVHOZWDQQQUMQ-UHFFFAOYSA-N 0 0 380.492 3.091 20 30 GGEDRN Cc1cc(C)n(-c2ccc(C[S@](=O)CC(=O)Nc3cccc(C#N)c3)cc2)n1 ZINC000183676546 1430769482 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387.798 3.327 20 30 GGEDRN CS(=O)(=O)N1CCc2c1cccc2NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000185011099 1431041463 /nfs/dbraw/zinc/04/14/63/1431041463.db2.gz DIZGDAZUHQDYDY-QGZVFWFLSA-N 0 0 398.488 3.175 20 30 GGEDRN CS(=O)(=O)N1CCc2c1cccc2NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000185011074 1431041562 /nfs/dbraw/zinc/04/15/62/1431041562.db2.gz DIZGDAZUHQDYDY-KRWDZBQOSA-N 0 0 398.488 3.175 20 30 GGEDRN COC(=O)[C@@H](C)[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000185023536 1431043642 /nfs/dbraw/zinc/04/36/42/1431043642.db2.gz RFETXIKJBRLOKB-SJCJKPOMSA-N 0 0 392.864 3.040 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)NCc1ccc(C)cc1O[C@H](C)CC ZINC000185033090 1431045626 /nfs/dbraw/zinc/04/56/26/1431045626.db2.gz FZWZXANQMZDEAO-QGZVFWFLSA-N 0 0 394.471 3.439 20 30 GGEDRN N#CCSc1ccccc1NC(=O)Cn1ccnc1[C@@H](O)c1ccccc1 ZINC000185042352 1431047388 /nfs/dbraw/zinc/04/73/88/1431047388.db2.gz IGVFMPNIWNSZMA-IBGZPJMESA-N 0 0 378.457 3.219 20 30 GGEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@H](CCO)c2ccco2)c1C#N ZINC000185067998 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VXGQPHAHJFUBQQ-QGZVFWFLSA-N 0 0 390.892 3.234 20 30 GGEDRN COc1cccc(-c2noc([C@H](C)NCC(=O)Nc3oc(C)c(C)c3C#N)n2)c1 ZINC000185121143 1431065330 /nfs/dbraw/zinc/06/53/30/1431065330.db2.gz QRPRDWMTBHMSOP-LBPRGKRZSA-N 0 0 395.419 3.116 20 30 GGEDRN COc1cccc(-c2noc([C@@H](C)NCC(=O)Nc3oc(C)c(C)c3C#N)n2)c1 ZINC000185121162 1431065360 /nfs/dbraw/zinc/06/53/60/1431065360.db2.gz QRPRDWMTBHMSOP-GFCCVEGCSA-N 0 0 395.419 3.116 20 30 GGEDRN CC(C)(C)OC(=O)N1CCN(C(=O)c2scnc2C2CCCC2)[C@@H](C#N)C1 ZINC000185141044 1431071110 /nfs/dbraw/zinc/07/11/10/1431071110.db2.gz FBEUHOHFZNKMDR-AWEZNQCLSA-N 0 0 390.509 3.386 20 30 GGEDRN N#C[C@]1(NS(=O)(=O)c2ccccc2OC(F)F)CCc2ccccc2C1 ZINC000185152062 1431073138 /nfs/dbraw/zinc/07/31/38/1431073138.db2.gz CENYLZSNYRFXOR-SFHVURJKSA-N 0 0 378.400 3.018 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1scnc1C1CCCC1 ZINC000185169190 1431076501 /nfs/dbraw/zinc/07/65/01/1431076501.db2.gz PUTMCDDIYDSLGY-UHFFFAOYSA-N 0 0 387.465 3.340 20 30 GGEDRN N#Cc1cccc(NC(=O)C[S@@](=O)Cc2ccn(-c3ccc(Cl)cc3)n2)c1 ZINC000185176649 1431077822 /nfs/dbraw/zinc/07/78/22/1431077822.db2.gz VLSUGFRJHVLJGW-MHZLTWQESA-N 0 0 398.875 3.285 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)NCC1(CCOCc2ccccc2)CC1 ZINC000185185660 1431079541 /nfs/dbraw/zinc/07/95/41/1431079541.db2.gz NJNNSKPXTOLURI-UHFFFAOYSA-N 0 0 388.464 3.363 20 30 GGEDRN C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1noc(-c2ccccc2)n1 ZINC000185191452 1431081100 /nfs/dbraw/zinc/08/11/00/1431081100.db2.gz JMELSEMWABFQKS-NSHDSACASA-N 0 0 388.836 3.301 20 30 GGEDRN CCCCOc1ccc(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)cn1 ZINC000185199355 1431082945 /nfs/dbraw/zinc/08/29/45/1431082945.db2.gz CFLXNOBUSBUITB-GOSISDBHSA-N 0 0 380.448 3.360 20 30 GGEDRN CCCCOc1ccc(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)cn1 ZINC000185199339 1431083009 /nfs/dbraw/zinc/08/30/09/1431083009.db2.gz CFLXNOBUSBUITB-SFHVURJKSA-N 0 0 380.448 3.360 20 30 GGEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000185210467 1431085759 /nfs/dbraw/zinc/08/57/59/1431085759.db2.gz SYEMEDNNFNGNIN-GJZGRUSLSA-N 0 0 399.495 3.362 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)N[C@H](CC)CSc1ccccc1 ZINC000185233885 1431090400 /nfs/dbraw/zinc/09/04/00/1431090400.db2.gz XHDAFJRDLOMHFS-MRXNPFEDSA-N 0 0 382.485 3.324 20 30 GGEDRN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccc(Cl)cc2C#N)C1=O ZINC000185248503 1431093497 /nfs/dbraw/zinc/09/34/97/1431093497.db2.gz BBSRSAVOYLPYGQ-SFHVURJKSA-N 0 0 384.779 3.087 20 30 GGEDRN N#Cc1cc(Cl)ccc1CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O ZINC000185252651 1431094542 /nfs/dbraw/zinc/09/45/42/1431094542.db2.gz MVIAALCVOATWGH-SFHVURJKSA-N 0 0 378.819 3.356 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)N(C)Cc1cccc(OC(C)C)c1 ZINC000185265320 1431096585 /nfs/dbraw/zinc/09/65/85/1431096585.db2.gz CAIIADBABUQKJJ-UHFFFAOYSA-N 0 0 380.444 3.083 20 30 GGEDRN C#C[C@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC ZINC000185301798 1431105228 /nfs/dbraw/zinc/10/52/28/1431105228.db2.gz OUMFIVVPGPPUCI-HNNXBMFYSA-N 0 0 375.428 3.308 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)CCN2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000185302061 1431106274 /nfs/dbraw/zinc/10/62/74/1431106274.db2.gz VZWXLWMTHAZHHJ-HNNXBMFYSA-N 0 0 376.428 3.100 20 30 GGEDRN C#CCC(C)(C)C(=O)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 ZINC000185306333 1431107627 /nfs/dbraw/zinc/10/76/27/1431107627.db2.gz HLMRGTHAECMCNB-UHFFFAOYSA-N 0 0 391.518 3.069 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000185334208 1431118222 /nfs/dbraw/zinc/11/82/22/1431118222.db2.gz SAOUWASDJSRRGH-JOCHJYFZSA-N 0 0 399.450 3.246 20 30 GGEDRN C[C@@]1(c2ccc(F)cc2F)NC(=O)N(Cc2ccc(Cl)cc2C#N)C1=O ZINC000185336938 1431118458 /nfs/dbraw/zinc/11/84/58/1431118458.db2.gz DSKVFLBETYKWNG-SFHVURJKSA-N 0 0 375.762 3.457 20 30 GGEDRN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2ccc(Cl)cc2C#N)C1=O ZINC000185336436 1431118800 /nfs/dbraw/zinc/11/88/00/1431118800.db2.gz DXSFMGPGKLMXOY-SFHVURJKSA-N 0 0 384.779 3.087 20 30 GGEDRN C#C[C@H](C)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC000185338612 1431119144 /nfs/dbraw/zinc/11/91/44/1431119144.db2.gz NKRAGKRRWBGFRG-AWEZNQCLSA-N 0 0 380.448 3.303 20 30 GGEDRN N#CCCn1ccc(NC(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)n1 ZINC000185346345 1431121313 /nfs/dbraw/zinc/12/13/13/1431121313.db2.gz RNFNHBWZOOTKKD-IBGZPJMESA-N 0 0 375.432 3.319 20 30 GGEDRN C#C[C@H](C)NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1 ZINC000185355427 1431124599 /nfs/dbraw/zinc/12/45/99/1431124599.db2.gz CDWPREFBDDFAGL-ZDUSSCGKSA-N 0 0 398.438 3.443 20 30 GGEDRN COC(=O)[C@@H](N[C@H](C)c1nc(Cc2ccccc2)no1)c1cccc(C#N)c1 ZINC000185368075 1431127736 /nfs/dbraw/zinc/12/77/36/1431127736.db2.gz HKJIRTFTHCCSBW-KUHUBIRLSA-N 0 0 376.416 3.097 20 30 GGEDRN COCCCOc1cccc(CNS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000185370573 1431127853 /nfs/dbraw/zinc/12/78/53/1431127853.db2.gz OEAVTOAFGWQRNH-UHFFFAOYSA-N 0 0 394.880 3.105 20 30 GGEDRN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1nc(Cc2ccccc2)no1 ZINC000185383975 1431132307 /nfs/dbraw/zinc/13/23/07/1431132307.db2.gz GWTGKXJSIQHUKB-JKSUJKDBSA-N 0 0 381.480 3.042 20 30 GGEDRN COc1ccc(C)cc1[C@]1(C)NC(=O)N(Cc2ccc(Cl)cc2C#N)C1=O ZINC000185388164 1431133676 /nfs/dbraw/zinc/13/36/76/1431133676.db2.gz JSYXTEIHSILVQS-FQEVSTJZSA-N 0 0 383.835 3.496 20 30 GGEDRN C[C@H](N[C@@H](C)c1nc(Cc2ccccc2)no1)C(=O)Nc1cccc(C#N)c1 ZINC000185410492 1431138286 /nfs/dbraw/zinc/13/82/86/1431138286.db2.gz NXPPHYUITGXJKF-GJZGRUSLSA-N 0 0 375.432 3.210 20 30 GGEDRN COc1cc(CON=C(N)c2ccc(NC(C)(C)C)cn2)c([N+](=O)[O-])cc1F ZINC000185412120 1431138866 /nfs/dbraw/zinc/13/88/66/1431138866.db2.gz SJJKGCHUZLWMFP-UHFFFAOYSA-N 0 0 391.403 3.185 20 30 GGEDRN C[C@H](N[C@@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1ccccc1C#N ZINC000185414173 1431139825 /nfs/dbraw/zinc/13/98/25/1431139825.db2.gz MUOIFYPHZWCGER-VBKZILBWSA-N 0 0 377.423 3.137 20 30 GGEDRN COc1ccc2ccccc2c1CNS(=O)(=O)c1ccc(C#N)cc1OC ZINC000185431906 1431144170 /nfs/dbraw/zinc/14/41/70/1431144170.db2.gz HTJOMSQAUVFSSR-UHFFFAOYSA-N 0 0 382.441 3.207 20 30 GGEDRN Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N(C)c2cccc(C#N)c2)c1 ZINC000185442911 1431146417 /nfs/dbraw/zinc/14/64/17/1431146417.db2.gz TWPFLUMBMQIMOL-UHFFFAOYSA-N 0 0 376.372 3.089 20 30 GGEDRN Cc1sc(NC(=O)CN[C@@H](c2cnn(C)c2)c2ccc(F)cc2)c(C#N)c1C ZINC000185443373 1431146707 /nfs/dbraw/zinc/14/67/07/1431146707.db2.gz CLKFHEBYCSRWDS-LJQANCHMSA-N 0 0 397.479 3.427 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000185443464 1431147053 /nfs/dbraw/zinc/14/70/53/1431147053.db2.gz VYQQMLJLXWJKHY-OAHLLOKOSA-N 0 0 383.492 3.175 20 30 GGEDRN C=C(C)[C@H](NC(=O)NCCN1C(=O)c2ccccc2C1=O)c1ccc(F)c(F)c1 ZINC000185448554 1431148001 /nfs/dbraw/zinc/14/80/01/1431148001.db2.gz OPIMMFJBIPCQCS-SFHVURJKSA-N 0 0 399.397 3.177 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000185452500 1431148946 /nfs/dbraw/zinc/14/89/46/1431148946.db2.gz JNRUQUNMOHOPMU-UHFFFAOYSA-N 0 0 388.342 3.203 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000185456584 1431149353 /nfs/dbraw/zinc/14/93/53/1431149353.db2.gz AHOZVTLPHLLQAV-LLVKDONJSA-N 0 0 382.388 3.208 20 30 GGEDRN C=C(C)[C@@H](NC(=O)N1CCN(C(=O)C(C)(C)C)CC1)c1ccc(F)c(F)c1 ZINC000185459045 1431149872 /nfs/dbraw/zinc/14/98/72/1431149872.db2.gz ZBYWCRKPNOXXFU-QGZVFWFLSA-N 0 0 379.451 3.482 20 30 GGEDRN C=CCc1ccccc1OC[C@@H](O)CN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000185463514 1431151126 /nfs/dbraw/zinc/15/11/26/1431151126.db2.gz YZDNNRZTPMBEIV-PXNSSMCTSA-N 0 0 378.476 3.086 20 30 GGEDRN C=C(C)[C@@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccc(F)c(F)c1 ZINC000185469152 1431151831 /nfs/dbraw/zinc/15/18/31/1431151831.db2.gz ZCPSVWNUKLYSJH-HXUWFJFHSA-N 0 0 397.429 3.380 20 30 GGEDRN C=C(C)[C@H](NC(=O)N[C@H](C(N)=O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000185467688 1431151979 /nfs/dbraw/zinc/15/19/79/1431151979.db2.gz HHMIWTYWMZDPLR-IRXDYDNUSA-N 0 0 377.366 3.247 20 30 GGEDRN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(O)(c2ccccc2)CC1 ZINC000185469746 1431152459 /nfs/dbraw/zinc/15/24/59/1431152459.db2.gz QQURHDJHYPZCNT-LJQANCHMSA-N 0 0 377.488 3.305 20 30 GGEDRN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(O)(c2ccccc2)CC1 ZINC000185469727 1431152552 /nfs/dbraw/zinc/15/25/52/1431152552.db2.gz QQURHDJHYPZCNT-IBGZPJMESA-N 0 0 377.488 3.305 20 30 GGEDRN C=C(C)[C@@H](NC(=O)N1CCN(Cc2ccon2)CC1)c1ccc(F)c(F)c1 ZINC000185474993 1431153269 /nfs/dbraw/zinc/15/32/69/1431153269.db2.gz BDIQLMWOXRHNEH-GOSISDBHSA-N 0 0 376.407 3.097 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000185481660 1431154800 /nfs/dbraw/zinc/15/48/00/1431154800.db2.gz OCVOLTGCRQIZOK-UHFFFAOYSA-N 0 0 384.379 3.406 20 30 GGEDRN C=CCn1c(S[C@@H](Cc2ccc(Cl)cc2)C(N)=O)nnc1-c1cccnc1 ZINC000185499316 1431158593 /nfs/dbraw/zinc/15/85/93/1431158593.db2.gz YKJCHLUTWXUDAU-INIZCTEOSA-N 0 0 399.907 3.368 20 30 GGEDRN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(O)(c2ccccc2)CC1 ZINC000185502937 1431159574 /nfs/dbraw/zinc/15/95/74/1431159574.db2.gz FWHSDXNBTVZSJX-SFHVURJKSA-N 0 0 395.478 3.444 20 30 GGEDRN C=C(C)[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000185506841 1431160241 /nfs/dbraw/zinc/16/02/41/1431160241.db2.gz NYEQVVWMSHAELH-MRXNPFEDSA-N 0 0 381.404 3.051 20 30 GGEDRN C=C(C)[C@@H](NC(=O)Nc1ccc(S(C)(=O)=O)nc1)c1ccc(F)c(F)c1 ZINC000185507857 1431160659 /nfs/dbraw/zinc/16/06/59/1431160659.db2.gz KBDRSMGOXVWONS-MRXNPFEDSA-N 0 0 381.404 3.202 20 30 GGEDRN C=CCn1c(S[C@@H](Cc2ccc(Cl)cc2)C(N)=O)nnc1-c1ccccn1 ZINC000185538141 1431167002 /nfs/dbraw/zinc/16/70/02/1431167002.db2.gz AITUTSCQUFVMMW-INIZCTEOSA-N 0 0 399.907 3.368 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2cncnc2)cc1F ZINC000185582726 1431176451 /nfs/dbraw/zinc/17/64/51/1431176451.db2.gz VOXLENNRKVJRQJ-UHFFFAOYSA-N 0 0 390.418 3.443 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H](C(C)C)CC2)cc1 ZINC000185587914 1431177464 /nfs/dbraw/zinc/17/74/64/1431177464.db2.gz LCKYDQCDYHAUGI-WMZOPIPTSA-N 0 0 385.508 3.262 20 30 GGEDRN CC(C)CCN(CCC#N)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185594874 1431179767 /nfs/dbraw/zinc/17/97/67/1431179767.db2.gz YHCCPDYILLVFQB-UHFFFAOYSA-N 0 0 376.438 3.093 20 30 GGEDRN 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20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000188470941 1431887008 /nfs/dbraw/zinc/88/70/08/1431887008.db2.gz PINUTVDLLHHBRL-MRXNPFEDSA-N 0 0 398.818 3.252 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000188475308 1431887451 /nfs/dbraw/zinc/88/74/51/1431887451.db2.gz XDZIHBRLOHKOCY-VGSWGCGISA-N 0 0 387.524 3.349 20 30 GGEDRN C=CCN(CC=C)C(=O)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000188476274 1431887545 /nfs/dbraw/zinc/88/75/45/1431887545.db2.gz YWPMONBUCXAEEI-MRXNPFEDSA-N 0 0 392.883 3.427 20 30 GGEDRN CCc1ccc([C@@H]2CN(C(=O)NCc3ccc(OCC#N)cc3)CCO2)cc1 ZINC000188481922 1431887846 /nfs/dbraw/zinc/88/78/46/1431887846.db2.gz IINUXIQHUMVNMY-NRFANRHFSA-N 0 0 379.460 3.434 20 30 GGEDRN C#Cc1cccc(NC(=O)N(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000188481818 1431887975 /nfs/dbraw/zinc/88/79/75/1431887975.db2.gz OLJXOAQUNAUTFQ-MRXNPFEDSA-N 0 0 397.500 3.433 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000188482660 1431887977 /nfs/dbraw/zinc/88/79/77/1431887977.db2.gz FCYXJRFASKEEBK-INIZCTEOSA-N 0 0 398.818 3.252 20 30 GGEDRN N#Cc1c(F)cccc1C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000188485522 1431888374 /nfs/dbraw/zinc/88/83/74/1431888374.db2.gz YTTOODIHOHHEMI-HNNXBMFYSA-N 0 0 377.419 3.454 20 30 GGEDRN CN(CC1(O)CCCCCC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000188496202 1431889197 /nfs/dbraw/zinc/88/91/97/1431889197.db2.gz YUKQHPRJECXJNS-UHFFFAOYSA-N 0 0 390.427 3.283 20 30 GGEDRN C=C[C@@](C)(CC)C(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000188523634 1431891616 /nfs/dbraw/zinc/89/16/16/1431891616.db2.gz LSJZVJGIPIOOOL-FQEVSTJZSA-N 0 0 388.489 3.496 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCCCCc1ccc(F)cc1 ZINC000188531470 1431892430 /nfs/dbraw/zinc/89/24/30/1431892430.db2.gz LSIUSQIVOXPCBG-QGZVFWFLSA-N 0 0 395.482 3.328 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000188536514 1431893158 /nfs/dbraw/zinc/89/31/58/1431893158.db2.gz YDLFQFOEOTUXGX-OAHLLOKOSA-N 0 0 379.464 3.103 20 30 GGEDRN COC[C@@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000188540205 1431893295 /nfs/dbraw/zinc/89/32/95/1431893295.db2.gz CJMMOWXWDUPQQX-JXFKEZNVSA-N 0 0 380.444 3.013 20 30 GGEDRN Cc1ccc(-c2c[nH]cc2C(=O)N2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000188541596 1431893514 /nfs/dbraw/zinc/89/35/14/1431893514.db2.gz GKNOUGRBTLDUFR-UHFFFAOYSA-N 0 0 377.473 3.281 20 30 GGEDRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)co1 ZINC000188552990 1431894642 /nfs/dbraw/zinc/89/46/42/1431894642.db2.gz MNIMLYNZQOHOLU-UZYVYHOESA-N 0 0 389.477 3.433 20 30 GGEDRN C[C@H](c1nnnn1C1CCCCC1)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000188560500 1431895283 /nfs/dbraw/zinc/89/52/83/1431895283.db2.gz FQCWMIGDMCDEQX-OAHLLOKOSA-N 0 0 383.475 3.072 20 30 GGEDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188564462 1431895737 /nfs/dbraw/zinc/89/57/37/1431895737.db2.gz GXOUXGYSCIEGLV-IBGZPJMESA-N 0 0 385.414 3.451 20 30 GGEDRN C=CCC[C@@H](C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F)c1ccccc1 ZINC000188568325 1431895998 /nfs/dbraw/zinc/89/59/98/1431895998.db2.gz DPOCNMATCFBSCI-VQIMIIECSA-N 0 0 395.425 3.426 20 30 GGEDRN C=CC[C@@H](C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F)c1ccccc1 ZINC000188568650 1431896167 /nfs/dbraw/zinc/89/61/67/1431896167.db2.gz OJTLBAMGDAPADR-CRAIPNDOSA-N 0 0 381.398 3.036 20 30 GGEDRN CCNC(=O)COc1cccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000188577873 1431896775 /nfs/dbraw/zinc/89/67/75/1431896775.db2.gz UFXJIGSNUFPQDU-UHFFFAOYSA-N 0 0 390.361 3.211 20 30 GGEDRN CC(C)(C)OCc1cc(CNC(=O)CCCC(=O)Nc2ccccc2C#N)no1 ZINC000188579272 1431896956 /nfs/dbraw/zinc/89/69/56/1431896956.db2.gz LXMISMMWFPXQFD-UHFFFAOYSA-N 0 0 398.463 3.287 20 30 GGEDRN C[C@H]1C(=O)N(C)CCN1C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000188592482 1431898304 /nfs/dbraw/zinc/89/83/04/1431898304.db2.gz OFMUVXQVMPTMAY-ZDUSSCGKSA-N 0 0 383.835 3.307 20 30 GGEDRN Cc1ccc(CNC(=O)NCc2cccc(C#N)c2)c(-n2cc(Cl)cn2)n1 ZINC000188601737 1431899240 /nfs/dbraw/zinc/89/92/40/1431899240.db2.gz UPJKLFVWCPKKSV-UHFFFAOYSA-N 0 0 380.839 3.100 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(OC)cc2OC(C)C)c1 ZINC000188615607 1431901588 /nfs/dbraw/zinc/90/15/88/1431901588.db2.gz LOHCLKNXGDDXIX-UHFFFAOYSA-N 0 0 380.444 3.174 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(OC)cc2OCC(C)C)c1 ZINC000188615310 1431902157 /nfs/dbraw/zinc/90/21/57/1431902157.db2.gz VVLWYSPGRMKQJW-UHFFFAOYSA-N 0 0 394.471 3.422 20 30 GGEDRN N#Cc1cnn(-c2ccc(C(=O)NC[C@@H](c3ccccc3)C(F)(F)F)cc2)c1N ZINC000188629622 1431910236 /nfs/dbraw/zinc/91/02/36/1431910236.db2.gz HYENPANNFUEVQF-KRWDZBQOSA-N 0 0 399.376 3.402 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000188638716 1431913225 /nfs/dbraw/zinc/91/32/25/1431913225.db2.gz ZYKSGIHMEOESMR-NRFANRHFSA-N 0 0 377.488 3.494 20 30 GGEDRN CC[C@@]1(C)Oc2ccc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)cc2O1 ZINC000188642372 1431915750 /nfs/dbraw/zinc/91/57/50/1431915750.db2.gz TYCIYJHQUJEYLX-NRFANRHFSA-N 0 0 381.432 3.332 20 30 GGEDRN CC1(C)[C@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C[C@@H]1O ZINC000188655279 1431920464 /nfs/dbraw/zinc/92/04/64/1431920464.db2.gz UVDWIQQHMGPBGQ-MSOLQXFVSA-N 0 0 378.432 3.091 20 30 GGEDRN C[C@H](C#N)Oc1ccc(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000188666180 1431925373 /nfs/dbraw/zinc/92/53/73/1431925373.db2.gz ZIPUXHVZZQEMRI-GFCCVEGCSA-N 0 0 397.426 3.170 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)NCCN1CCc2sccc2C1 ZINC000188674618 1431928912 /nfs/dbraw/zinc/92/89/12/1431928912.db2.gz UJNBYBCUTIISKO-UHFFFAOYSA-N 0 0 385.493 3.005 20 30 GGEDRN N#CCC1(O)CN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 ZINC000188676496 1431929479 /nfs/dbraw/zinc/92/94/79/1431929479.db2.gz QFEHAOLFVZYVFK-UHFFFAOYSA-N 0 0 392.846 3.293 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(-c4cnco4)cc3)CC2)o1 ZINC000188677472 1431930315 /nfs/dbraw/zinc/93/03/15/1431930315.db2.gz JHDZKCMRFPMXAM-UHFFFAOYSA-N 0 0 377.404 3.365 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3cccc(OCCCC#N)c3)CC2)o1 ZINC000188681669 1431931392 /nfs/dbraw/zinc/93/13/92/1431931392.db2.gz SBJORUJVEXYWDH-UHFFFAOYSA-N 0 0 393.447 3.392 20 30 GGEDRN C[C@H](CNC(=O)Nc1ncccc1OCCCC#N)N1CCc2ccccc21 ZINC000188683305 1431931434 /nfs/dbraw/zinc/93/14/34/1431931434.db2.gz OITWMQFCHLIIOP-MRXNPFEDSA-N 0 0 379.464 3.337 20 30 GGEDRN C[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)N1CCc2ccccc21 ZINC000188683283 1431931944 /nfs/dbraw/zinc/93/19/44/1431931944.db2.gz OITWMQFCHLIIOP-INIZCTEOSA-N 0 0 379.464 3.337 20 30 GGEDRN CCN(CC)c1ccc(CNC(=O)Nc2ncccc2OCCCC#N)cn1 ZINC000188683490 1431932791 /nfs/dbraw/zinc/93/27/91/1431932791.db2.gz SRKYFHIFYSNGQP-UHFFFAOYSA-N 0 0 382.468 3.327 20 30 GGEDRN C=CC[C@H](C(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1)c1ccccc1 ZINC000188687611 1431933076 /nfs/dbraw/zinc/93/30/76/1431933076.db2.gz WLFRRHOCWWCHAY-IBGZPJMESA-N 0 0 384.501 3.303 20 30 GGEDRN CN(Cc1ccc([S@](C)=O)cc1)C(=O)Nc1ncccc1OCCCC#N ZINC000188687586 1431933114 /nfs/dbraw/zinc/93/31/14/1431933114.db2.gz RRDNOHSXVMDZJK-MHZLTWQESA-N 0 0 386.477 3.165 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000188690446 1431934577 /nfs/dbraw/zinc/93/45/77/1431934577.db2.gz LDADTCNALYWMIX-OAQYLSRUSA-N 0 0 378.432 3.427 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCCc1ccccc1OC(F)F ZINC000188704898 1431939126 /nfs/dbraw/zinc/93/91/26/1431939126.db2.gz CZAZFQTXWMQCBV-UHFFFAOYSA-N 0 0 390.434 3.307 20 30 GGEDRN C[S@](=O)C[C@H](NC(=O)Nc1ncccc1OCCCC#N)c1ccccc1 ZINC000188707218 1431939977 /nfs/dbraw/zinc/93/99/77/1431939977.db2.gz AXUGPPHCKNRSBL-OQRWROFFSA-N 0 0 386.477 3.005 20 30 GGEDRN Cc1ccccc1N1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000188704990 1431940709 /nfs/dbraw/zinc/94/07/09/1431940709.db2.gz JHQSTCZFGQSIGH-UHFFFAOYSA-N 0 0 379.464 3.427 20 30 GGEDRN C=CC[C@H](C(=O)NCc1ccccc1OCCN1CCOCC1)c1ccccc1 ZINC000188710431 1431941273 /nfs/dbraw/zinc/94/12/73/1431941273.db2.gz RTBYJOVTAGIONI-QFIPXVFZSA-N 0 0 394.515 3.374 20 30 GGEDRN C=CC[C@@H](C(=O)NCc1ccccc1OCCN1CCOCC1)c1ccccc1 ZINC000188710454 1431941684 /nfs/dbraw/zinc/94/16/84/1431941684.db2.gz RTBYJOVTAGIONI-JOCHJYFZSA-N 0 0 394.515 3.374 20 30 GGEDRN C=CC[C@H](C(=O)N1CCCN(c2nccc(OCC)n2)CC1)c1ccccc1 ZINC000188712466 1431942503 /nfs/dbraw/zinc/94/25/03/1431942503.db2.gz VVKBAUNPKQKOGL-IBGZPJMESA-N 0 0 380.492 3.274 20 30 GGEDRN CN1CCCc2cc(CNC(=O)Nc3ncccc3OCCCC#N)ccc21 ZINC000188725957 1431947603 /nfs/dbraw/zinc/94/76/03/1431947603.db2.gz QIJGSNXRHADFEG-UHFFFAOYSA-N 0 0 379.464 3.468 20 30 GGEDRN C[C@@H](O)C[C@H](CNC(=O)Nc1ncccc1OCCCC#N)c1ccccc1 ZINC000188729198 1431949150 /nfs/dbraw/zinc/94/91/50/1431949150.db2.gz RCFQUGGRIOWACX-SJLPKXTDSA-N 0 0 382.464 3.440 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)NCCc1nc2c(s1)CCCC2 ZINC000188730036 1431949524 /nfs/dbraw/zinc/94/95/24/1431949524.db2.gz HGJQMRAHXYIRIJ-UHFFFAOYSA-N 0 0 385.493 3.464 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)NCc1ccnc(N2CCCC2)c1 ZINC000188742504 1431954540 /nfs/dbraw/zinc/95/45/40/1431954540.db2.gz SFPUEZXWKJDDJH-UHFFFAOYSA-N 0 0 380.452 3.081 20 30 GGEDRN C=CCn1c(C)nnc1S[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000188770017 1431967278 /nfs/dbraw/zinc/96/72/78/1431967278.db2.gz OQMFURPWSFSVFH-INIZCTEOSA-N 0 0 378.448 3.334 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)NCc1cccc(Cn2cccn2)c1 ZINC000188778465 1431970996 /nfs/dbraw/zinc/97/09/96/1431970996.db2.gz QJQLDFDQOKPCDR-UHFFFAOYSA-N 0 0 390.447 3.331 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3nc4c(s3)CCCCC4)CC2)o1 ZINC000188777978 1431971412 /nfs/dbraw/zinc/97/14/12/1431971412.db2.gz PCKLMRUTEAPOTM-UHFFFAOYSA-N 0 0 385.493 3.435 20 30 GGEDRN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)Nc1ncccc1OCCCC#N ZINC000188782194 1431972319 /nfs/dbraw/zinc/97/23/19/1431972319.db2.gz FMVKHGRCKQZQCF-CQSZACIVSA-N 0 0 383.456 3.136 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)NCc1nc(-c2ccccc2)c[nH]1 ZINC000188783694 1431973801 /nfs/dbraw/zinc/97/38/01/1431973801.db2.gz KBZRICLFPGZTCC-UHFFFAOYSA-N 0 0 376.420 3.476 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2[nH]nc3c2CCCC3)cc1 ZINC000188826549 1431991148 /nfs/dbraw/zinc/99/11/48/1431991148.db2.gz DCXLXQRBRUGNMJ-UHFFFAOYSA-N 0 0 378.476 3.284 20 30 GGEDRN C=CC[C@@H](C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000188850076 1431997312 /nfs/dbraw/zinc/99/73/12/1431997312.db2.gz MVOVKQIOCIYKNX-JOCHJYFZSA-N 0 0 391.515 3.201 20 30 GGEDRN C=CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1)c1ccccc1 ZINC000188860702 1432000075 /nfs/dbraw/zinc/00/00/75/1432000075.db2.gz LAYMPWYOFLTAID-KRWDZBQOSA-N 0 0 388.489 3.244 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCN(C3CC3)c3ccccc32)c(F)c1 ZINC000188862292 1432000623 /nfs/dbraw/zinc/00/06/23/1432000623.db2.gz PWLZWMHXRIXOIZ-UHFFFAOYSA-N 0 0 375.400 3.014 20 30 GGEDRN N#Cc1cc(NC(=O)N2CCC(O)(c3c(F)cccc3F)CC2)ccc1F ZINC000188874970 1432002295 /nfs/dbraw/zinc/00/22/95/1432002295.db2.gz KAXLCQGALMOIOB-UHFFFAOYSA-N 0 0 375.350 3.491 20 30 GGEDRN C=CC[C@H](C(=O)NCCNS(=O)(=O)c1cc(C)sc1C)c1ccccc1 ZINC000188883018 1432003246 /nfs/dbraw/zinc/00/32/46/1432003246.db2.gz FGTMUNBZBPTKNB-KRWDZBQOSA-N 0 0 392.546 3.119 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N(C)Cc3nc4ccccc4s3)CC2)o1 ZINC000188890004 1432004027 /nfs/dbraw/zinc/00/40/27/1432004027.db2.gz QGUYJTHEZSFWHD-UHFFFAOYSA-N 0 0 395.488 3.339 20 30 GGEDRN N#Cc1c(F)cccc1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000188894808 1432004836 /nfs/dbraw/zinc/00/48/36/1432004836.db2.gz AYIPHKFTUOLGPJ-MRXNPFEDSA-N 0 0 375.762 3.025 20 30 GGEDRN CN(C)c1cccc(CCC(=O)N2CCCN(c3ccccc3C#N)CC2)c1 ZINC000188905792 1432006059 /nfs/dbraw/zinc/00/60/59/1432006059.db2.gz OSOCAHAXTNMNEK-UHFFFAOYSA-N 0 0 376.504 3.296 20 30 GGEDRN Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000188912973 1432007795 /nfs/dbraw/zinc/00/77/95/1432007795.db2.gz XSHWJCHKOJHSLC-ZDUSSCGKSA-N 0 0 389.246 3.216 20 30 GGEDRN N#Cc1c(F)cccc1C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000188916553 1432008535 /nfs/dbraw/zinc/00/85/35/1432008535.db2.gz XPULUJMCHJXNAX-UHFFFAOYSA-N 0 0 399.403 3.021 20 30 GGEDRN Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000188918251 1432008607 /nfs/dbraw/zinc/00/86/07/1432008607.db2.gz BUOPFMHPXHPXIQ-AWEZNQCLSA-N 0 0 389.246 3.216 20 30 GGEDRN C=CCC[C@H](C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)c1ccccc1 ZINC000188928151 1432010535 /nfs/dbraw/zinc/01/05/35/1432010535.db2.gz UNMIUKLCURNGNF-NRFANRHFSA-N 0 0 394.519 3.139 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(Cc2noc(-c3ccc(F)cc3F)n2)CC1 ZINC000188932761 1432011845 /nfs/dbraw/zinc/01/18/45/1432011845.db2.gz WXIOWPLPNIPVKF-UHFFFAOYSA-N 0 0 399.376 3.348 20 30 GGEDRN C#CCCCCNC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000188935392 1432012186 /nfs/dbraw/zinc/01/21/86/1432012186.db2.gz GMFXDMJVJLZRQC-MRXNPFEDSA-N 0 0 392.883 3.146 20 30 GGEDRN C=C(C)COCCNC(=O)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000188954347 1432015592 /nfs/dbraw/zinc/01/55/92/1432015592.db2.gz MKGYEKXRTIUZKU-UHFFFAOYSA-N 0 0 380.872 3.309 20 30 GGEDRN C[C@H](NC(=O)c1ccc(C#N)c(O)c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000188957383 1432016077 /nfs/dbraw/zinc/01/60/77/1432016077.db2.gz OZRSODRAMOIOPK-BTYIYWSLSA-N 0 0 380.444 3.319 20 30 GGEDRN C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000188957404 1432016216 /nfs/dbraw/zinc/01/62/16/1432016216.db2.gz OZRSODRAMOIOPK-VFNWGFHPSA-N 0 0 380.444 3.319 20 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GGEDRN N#Cc1ccccc1N1CCN(Cc2noc(-c3ccc(F)cc3F)n2)CC1 ZINC000188989775 1432023185 /nfs/dbraw/zinc/02/31/85/1432023185.db2.gz RZKRKIJPDNSACU-UHFFFAOYSA-N 0 0 381.386 3.209 20 30 GGEDRN CC(=O)C1=C(c2ccc(C)cc2)N(C)C(=S)N[C@@H]1c1cn(C(C)(C)C)nn1 ZINC000189006112 1432025735 /nfs/dbraw/zinc/02/57/35/1432025735.db2.gz AKOLTLGNWJVWFT-QGZVFWFLSA-N 0 0 383.521 3.203 20 30 GGEDRN N#Cc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1O ZINC000189006117 1432025949 /nfs/dbraw/zinc/02/59/49/1432025949.db2.gz QEXBJDHTIUPDFK-UHFFFAOYSA-N 0 0 375.350 3.245 20 30 GGEDRN CCOC(=O)Cc1csc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000189030343 1432030177 /nfs/dbraw/zinc/03/01/77/1432030177.db2.gz TVOQMDZMYCDWAD-UHFFFAOYSA-N 0 0 382.363 3.258 20 30 GGEDRN COCCN(C(=O)c1cn(-c2cccc(Cl)c2)nn1)c1ccc(C#N)cc1 ZINC000189033007 1432030866 /nfs/dbraw/zinc/03/08/66/1432030866.db2.gz QLRPFHIRNUQWCW-UHFFFAOYSA-N 0 0 381.823 3.086 20 30 GGEDRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cc(C#N)n(C)c2)NC(=O)N1C1CC1 ZINC000189037251 1432031916 /nfs/dbraw/zinc/03/19/16/1432031916.db2.gz XXOWYYMGVAOLEA-IBGZPJMESA-N 0 0 393.422 3.177 20 30 GGEDRN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)C1 ZINC000189039671 1432032106 /nfs/dbraw/zinc/03/21/06/1432032106.db2.gz PILSJTXZELIPRW-BFUOFWGJSA-N 0 0 392.525 3.413 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)C1 ZINC000189039715 1432032146 /nfs/dbraw/zinc/03/21/46/1432032146.db2.gz PILSJTXZELIPRW-YJYMSZOUSA-N 0 0 392.525 3.413 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(OCC(C)C)nc3)CC2)o1 ZINC000189042179 1432033071 /nfs/dbraw/zinc/03/30/71/1432033071.db2.gz YAITYOYBDVQYNY-UHFFFAOYSA-N 0 0 383.452 3.140 20 30 GGEDRN CC1=C(C(=O)Nc2ccccc2C(C)C)[C@@H](c2cc(C#N)n(C)c2)NC(=S)N1 ZINC000189047226 1432034183 /nfs/dbraw/zinc/03/41/83/1432034183.db2.gz IFHCLGJRTTXXAV-LJQANCHMSA-N 0 0 393.516 3.452 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)NCc2ccc(Br)o2)c1 ZINC000189050344 1432034527 /nfs/dbraw/zinc/03/45/27/1432034527.db2.gz ATZSBKYMNFLORX-UHFFFAOYSA-N 0 0 375.631 3.046 20 30 GGEDRN CCC1CCC(N(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C2CC2)CC1 ZINC000189059727 1432036855 /nfs/dbraw/zinc/03/68/55/1432036855.db2.gz KMLNLWROUQFZRD-UHFFFAOYSA-N 0 0 385.512 3.408 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(O)ccc2C(F)(F)F)CC1 ZINC000189073408 1432039546 /nfs/dbraw/zinc/03/95/46/1432039546.db2.gz ZNBDHQZKXQKVAU-UHFFFAOYSA-N 0 0 393.340 3.384 20 30 GGEDRN C=C(C)CN(C)C(=O)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000189074755 1432040125 /nfs/dbraw/zinc/04/01/25/1432040125.db2.gz GJDXHRBIDZAMRX-OAHLLOKOSA-N 0 0 380.872 3.261 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000189084581 1432042072 /nfs/dbraw/zinc/04/20/72/1432042072.db2.gz VZWMKXZRXDRPSL-UHFFFAOYSA-N 0 0 387.443 3.088 20 30 GGEDRN C=CCn1c(S[C@H](C)c2nnnn2C2CCCCC2)nnc1-c1cnccn1 ZINC000189091410 1432043434 /nfs/dbraw/zinc/04/34/34/1432043434.db2.gz CEDAMRCHCWAQPH-CYBMUJFWSA-N 0 0 397.512 3.266 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)NCCSc3ccc(C)cc3)CC2)o1 ZINC000189103808 1432045575 /nfs/dbraw/zinc/04/55/75/1432045575.db2.gz SCOBNZHDUOSEGZ-UHFFFAOYSA-N 0 0 384.505 3.288 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 ZINC000189112473 1432046890 /nfs/dbraw/zinc/04/68/90/1432046890.db2.gz OQDLYYKGPGSMHT-OAHLLOKOSA-N 0 0 389.459 3.256 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C ZINC000189111953 1432046974 /nfs/dbraw/zinc/04/69/74/1432046974.db2.gz VUOLGIGDZNFSGD-OAHLLOKOSA-N 0 0 392.459 3.194 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCN(Cc2noc(-c3ccc(F)cc3F)n2)CC1 ZINC000189112646 1432046995 /nfs/dbraw/zinc/04/69/95/1432046995.db2.gz GHGCTTVDMLIEED-LJQANCHMSA-N 0 0 395.413 3.397 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 ZINC000189112453 1432047148 /nfs/dbraw/zinc/04/71/48/1432047148.db2.gz OQDLYYKGPGSMHT-HNNXBMFYSA-N 0 0 389.459 3.256 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1 ZINC000189113183 1432047208 /nfs/dbraw/zinc/04/72/08/1432047208.db2.gz OGYPCVUOBIJYCE-QGZVFWFLSA-N 0 0 390.487 3.196 20 30 GGEDRN CCN(CCNC(=O)C1CCN(c2oc(C)nc2C#N)CC1)c1ccccc1C ZINC000189119172 1432047804 /nfs/dbraw/zinc/04/78/04/1432047804.db2.gz ZFAGKLZRGBBUNQ-UHFFFAOYSA-N 0 0 395.507 3.022 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000189119865 1432048485 /nfs/dbraw/zinc/04/84/85/1432048485.db2.gz NARBXEQXJSCQSD-MRXNPFEDSA-N 0 0 381.480 3.001 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000189121166 1432048510 /nfs/dbraw/zinc/04/85/10/1432048510.db2.gz XKXRQKVTZSZRDR-OAHLLOKOSA-N 0 0 376.416 3.297 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 ZINC000189121312 1432048541 /nfs/dbraw/zinc/04/85/41/1432048541.db2.gz AEVWYJHNOYYKDF-OAHLLOKOSA-N 0 0 380.448 3.437 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(N4CCCCC4)cn3)CC2)o1 ZINC000189121489 1432048613 /nfs/dbraw/zinc/04/86/13/1432048613.db2.gz CTINVUBIGTZEQM-UHFFFAOYSA-N 0 0 394.479 3.095 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000189124680 1432048974 /nfs/dbraw/zinc/04/89/74/1432048974.db2.gz MELBXZBZULAHSK-INIZCTEOSA-N 0 0 393.491 3.477 20 30 GGEDRN CCc1cccc(Oc2ccc(NC(=O)C(=O)N(CC)C[C@@H](C)C#N)cn2)c1 ZINC000189127115 1432049289 /nfs/dbraw/zinc/04/92/89/1432049289.db2.gz UFABBBFFOWOMMJ-HNNXBMFYSA-N 0 0 380.448 3.383 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000189134170 1432050273 /nfs/dbraw/zinc/05/02/73/1432050273.db2.gz XBNRIWPBELVMJG-HNNXBMFYSA-N 0 0 382.489 3.321 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(OC)c(Cc2ccccc2)c1 ZINC000189133983 1432050367 /nfs/dbraw/zinc/05/03/67/1432050367.db2.gz KAHQHQCVTDNDIA-MRXNPFEDSA-N 0 0 379.460 3.233 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)Cc3cc(C)cc(C)c3)CC2)o1 ZINC000189139049 1432051019 /nfs/dbraw/zinc/05/10/19/1432051019.db2.gz LROVAFXXEAUHLK-MRXNPFEDSA-N 0 0 380.492 3.435 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC000189140882 1432051328 /nfs/dbraw/zinc/05/13/28/1432051328.db2.gz 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20 30 GGEDRN C[C@@H](Sc1nnc(N2CCOCC2)n1CC(F)(F)F)c1cccc(C#N)c1 ZINC000189840990 1432250665 /nfs/dbraw/zinc/25/06/65/1432250665.db2.gz IFSSFGNWXXSWAB-GFCCVEGCSA-N 0 0 397.426 3.402 20 30 GGEDRN COc1ccc([C@H](CNC(=O)c2ccc(C#N)c([O-])c2)[NH+]2CCCCC2)cc1 ZINC000189849208 1432252872 /nfs/dbraw/zinc/25/28/72/1432252872.db2.gz YWTOJEWZNRVCPG-FQEVSTJZSA-N 0 0 379.460 3.229 20 30 GGEDRN COc1ccc(Cn2ccc(NC(=O)N(CCC#N)Cc3ccccn3)n2)cc1 ZINC000189851517 1432253216 /nfs/dbraw/zinc/25/32/16/1432253216.db2.gz XDTHUBDAUDOKOE-UHFFFAOYSA-N 0 0 390.447 3.283 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)Oc2c(Cl)cccc21 ZINC000189853732 1432253834 /nfs/dbraw/zinc/25/38/34/1432253834.db2.gz XAMYXBWUVVZLDU-LLVKDONJSA-N 0 0 385.851 3.264 20 30 GGEDRN COc1ccc(Cn2ccc(NC(=O)N(CCC#N)Cc3ccco3)n2)cc1 ZINC000189863329 1432256449 /nfs/dbraw/zinc/25/64/49/1432256449.db2.gz NNGXCYCISGPONZ-UHFFFAOYSA-N 0 0 379.420 3.481 20 30 GGEDRN Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)Cc3ccc(C#N)cc3)c12 ZINC000189863830 1432256889 /nfs/dbraw/zinc/25/68/89/1432256889.db2.gz PGUBZFQLWNYZHH-SFHVURJKSA-N 0 0 389.459 3.280 20 30 GGEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000189894197 1432265639 /nfs/dbraw/zinc/26/56/39/1432265639.db2.gz VINXRPCBKYNLIQ-HNNXBMFYSA-N 0 0 388.393 3.459 20 30 GGEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000189894217 1432265719 /nfs/dbraw/zinc/26/57/19/1432265719.db2.gz VINXRPCBKYNLIQ-OAHLLOKOSA-N 0 0 388.393 3.459 20 30 GGEDRN COC[C@H](C)n1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000189906216 1432268785 /nfs/dbraw/zinc/26/87/85/1432268785.db2.gz AJTDFHFBVDTDGH-HNNXBMFYSA-N 0 0 383.452 3.037 20 30 GGEDRN C=CCCN(OCc1ccccc1)C(=O)Cc1csc(N2CCCC2=O)n1 ZINC000189906556 1432269038 /nfs/dbraw/zinc/26/90/38/1432269038.db2.gz WRTMSHAOPXJDPI-UHFFFAOYSA-N 0 0 385.489 3.349 20 30 GGEDRN Cc1ccc([C@@H]2CCCCN2C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)cc1 ZINC000189905640 1432269079 /nfs/dbraw/zinc/26/90/79/1432269079.db2.gz AXPGQBWMQOKVAG-SFHVURJKSA-N 0 0 379.464 3.336 20 30 GGEDRN Cc1ccc([C@H]2CCCCN2C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)cc1 ZINC000189905659 1432269105 /nfs/dbraw/zinc/26/91/05/1432269105.db2.gz AXPGQBWMQOKVAG-GOSISDBHSA-N 0 0 379.464 3.336 20 30 GGEDRN C=CCCN(OCc1ccccc1)C(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000189909348 1432270035 /nfs/dbraw/zinc/27/00/35/1432270035.db2.gz GCRBUNDWQPTCQJ-UHFFFAOYSA-N 0 0 375.428 3.383 20 30 GGEDRN CCC(C)(C)N(CCC#N)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000189910024 1432270061 /nfs/dbraw/zinc/27/00/61/1432270061.db2.gz VZHYSGQVACEZBB-UHFFFAOYSA-N 0 0 395.500 3.155 20 30 GGEDRN CCC(C)(C)N(CCC#N)C(=O)c1ccc(N2CCCS2(=O)=O)cc1C ZINC000189912115 1432271820 /nfs/dbraw/zinc/27/18/20/1432271820.db2.gz JDZZCDKCOJZXHE-UHFFFAOYSA-N 0 0 377.510 3.079 20 30 GGEDRN C=CC[C@@H](C(=O)N1CCN(Cc2nc([C@H](C)OCC)no2)CC1)c1ccccc1 ZINC000189920476 1432274123 /nfs/dbraw/zinc/27/41/23/1432274123.db2.gz FXFGJJDDEOWLLS-PKOBYXMFSA-N 0 0 398.507 3.171 20 30 GGEDRN COC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ncccc1OCCCC#N ZINC000189919269 1432274152 /nfs/dbraw/zinc/27/41/52/1432274152.db2.gz KNRNTRDRGNYTLK-GOSISDBHSA-N 0 0 382.464 3.486 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)N(CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000189943302 1432283614 /nfs/dbraw/zinc/28/36/14/1432283614.db2.gz ZUQVIPHBGSCPBW-OAQYLSRUSA-N 0 0 394.471 3.088 20 30 GGEDRN C=CC[C@@H](C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000189945978 1432284765 /nfs/dbraw/zinc/28/47/65/1432284765.db2.gz XRCLRZALKYYENR-HXUWFJFHSA-N 0 0 386.517 3.092 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N(CCCO)[C@H]2CCc3ccccc32)c1 ZINC000189946169 1432285071 /nfs/dbraw/zinc/28/50/71/1432285071.db2.gz SEMVMARZDFSEJE-IBGZPJMESA-N 0 0 397.862 3.049 20 30 GGEDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(CCC#N)CC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000189950285 1432286884 /nfs/dbraw/zinc/28/68/84/1432286884.db2.gz GJDPNWCENOIARA-UHFFFAOYSA-N 0 0 398.441 3.070 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N(CCCO)[C@@H]2CCc3ccccc32)cc1Cl ZINC000189949153 1432287123 /nfs/dbraw/zinc/28/71/23/1432287123.db2.gz MPEZBPDCNKJYPK-LJQANCHMSA-N 0 0 397.862 3.049 20 30 GGEDRN CCC1(CC)CCCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000189970336 1432293357 /nfs/dbraw/zinc/29/33/57/1432293357.db2.gz BWQAEUAZDIFTIT-UHFFFAOYSA-N 0 0 375.444 3.485 20 30 GGEDRN CCCCCN(C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@@H](C)CCC ZINC000190000757 1432302403 /nfs/dbraw/zinc/30/24/03/1432302403.db2.gz PKONEXZUPLAEAG-INIZCTEOSA-N 0 0 396.495 3.285 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCCc3c(O)cccc32)CC1 ZINC000190035026 1432308576 /nfs/dbraw/zinc/30/85/76/1432308576.db2.gz RIRZUENEEWXPDZ-NHCUHLMSSA-N 0 0 375.472 3.221 20 30 GGEDRN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(C#N)c(O)c1 ZINC000190051179 1432311232 /nfs/dbraw/zinc/31/12/32/1432311232.db2.gz TWRRGVIWFQZJDK-UHFFFAOYSA-N 0 0 391.349 3.172 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)c1nnn(Cc2ccc(F)cc2F)c1C ZINC000190057558 1432312291 /nfs/dbraw/zinc/31/22/91/1432312291.db2.gz LYPKPWTYBUTUOQ-UHFFFAOYSA-N 0 0 397.385 3.436 20 30 GGEDRN CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)c1cccc(F)c1C#N ZINC000190066354 1432313697 /nfs/dbraw/zinc/31/36/97/1432313697.db2.gz GSCSGROWRQEREB-LBPRGKRZSA-N 0 0 396.340 3.228 20 30 GGEDRN N#Cc1cc(F)c(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)c(F)c1 ZINC000190082841 1432316571 /nfs/dbraw/zinc/31/65/71/1432316571.db2.gz WROFZBKVSMOWAR-UHFFFAOYSA-N 0 0 379.370 3.217 20 30 GGEDRN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000190081752 1432316675 /nfs/dbraw/zinc/31/66/75/1432316675.db2.gz UUGCMLJWIUIZQO-UHFFFAOYSA-N 0 0 396.234 3.228 20 30 GGEDRN C#CCOc1ccccc1NC(=O)Nc1cc(C(C)C)nn1-c1ncccn1 ZINC000190083153 1432317071 /nfs/dbraw/zinc/31/70/71/1432317071.db2.gz GMFWIMLCRLWKMU-UHFFFAOYSA-N 0 0 376.420 3.442 20 30 GGEDRN CCc1ccc([C@@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CCO2)cc1 ZINC000190104426 1432320462 /nfs/dbraw/zinc/32/04/62/1432320462.db2.gz IFMKAFQQGHOBMX-IBGZPJMESA-N 0 0 397.862 3.313 20 30 GGEDRN CCOc1ccc(NC(=O)CNC(=O)C#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000190121899 1432323496 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O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCCN(c2nccs2)CC1 ZINC000190140239 1432326911 /nfs/dbraw/zinc/32/69/11/1432326911.db2.gz XJHITYMQNRPZPC-UHFFFAOYSA-N 0 0 379.407 3.252 20 30 GGEDRN N#Cc1ccc(OC2CN(S(=O)(=O)c3ccc(CC(F)(F)F)cc3)C2)cc1 ZINC000190154127 1432329346 /nfs/dbraw/zinc/32/93/46/1432329346.db2.gz AJPCVERFHWEYGA-UHFFFAOYSA-N 0 0 396.390 3.115 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC000190164952 1432331407 /nfs/dbraw/zinc/33/14/07/1432331407.db2.gz XCRYXVSFYMVHLP-UHFFFAOYSA-N 0 0 389.463 3.495 20 30 GGEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1ccc(N2CCOC2=O)cc1 ZINC000190169333 1432332493 /nfs/dbraw/zinc/33/24/93/1432332493.db2.gz KPCSACOCCJAEHZ-UHFFFAOYSA-N 0 0 388.345 3.330 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)CCOCC(F)(F)C(F)(F)F ZINC000190198867 1432339541 /nfs/dbraw/zinc/33/95/41/1432339541.db2.gz UPDUYMNGHQHLRJ-UHFFFAOYSA-N 0 0 396.312 3.126 20 30 GGEDRN CC[C@H]1CN(c2ccccc2)CCN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000190201209 1432339912 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20 30 GGEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCc4ccc(Cl)cc43)C2=O)cc1 ZINC000190237723 1432346842 /nfs/dbraw/zinc/34/68/42/1432346842.db2.gz WMEPDSIOSBCHCP-SFHVURJKSA-N 0 0 394.862 3.085 20 30 GGEDRN N#Cc1ccc(OCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1Cl ZINC000190248194 1432348500 /nfs/dbraw/zinc/34/85/00/1432348500.db2.gz ZNFHPFVXHUHEMJ-UHFFFAOYSA-N 0 0 385.851 3.061 20 30 GGEDRN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190254815 1432349386 /nfs/dbraw/zinc/34/93/86/1432349386.db2.gz HIQJTKUCPCBRCE-NMLACTOBSA-N 0 0 380.492 3.022 20 30 GGEDRN CC[C@H](C)[C@H](C)N(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 ZINC000190260326 1432349982 /nfs/dbraw/zinc/34/99/82/1432349982.db2.gz KQIAOMAALTUQEP-TWOQFEAHSA-N 0 0 382.508 3.268 20 30 GGEDRN CC[C@H](C)[C@@H](C)N(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 ZINC000190260289 1432350111 /nfs/dbraw/zinc/35/01/11/1432350111.db2.gz KQIAOMAALTUQEP-RZQQEMMASA-N 0 0 382.508 3.268 20 30 GGEDRN N#Cc1cccc(OCc2cccc(C(=O)NCc3nc4cccnc4[nH]3)c2)c1 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CC[C@@H]1CCc2nc(NC(=O)C(=O)N(C)Cc3cccc(C#N)c3)sc2C1 ZINC000192693179 1432876226 /nfs/dbraw/zinc/87/62/26/1432876226.db2.gz KQUSSRHSZZPZBC-CYBMUJFWSA-N 0 0 382.489 3.127 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000192704043 1432877356 /nfs/dbraw/zinc/87/73/56/1432877356.db2.gz OIWIWDZUELUQKZ-UHFFFAOYSA-N 0 0 382.489 3.271 20 30 GGEDRN COc1ccc(-c2cc(C(=O)N(CC#N)CC#N)c3ccccc3n2)cc1OC ZINC000192709417 1432877963 /nfs/dbraw/zinc/87/79/63/1432877963.db2.gz HUJVMYHLQYTAEF-UHFFFAOYSA-N 0 0 386.411 3.408 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000192722645 1432880088 /nfs/dbraw/zinc/88/00/88/1432880088.db2.gz DKXFNIPZTVESRB-UHFFFAOYSA-N 0 0 385.851 3.367 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192727470 1432880801 /nfs/dbraw/zinc/88/08/01/1432880801.db2.gz ZONXJURXDLHSAA-UHFFFAOYSA-N 0 0 394.475 3.277 20 30 GGEDRN CN(CC(F)(F)F)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000192753480 1432884985 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20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1nc2ccccc2[nH]1 ZINC000192766562 1432887283 /nfs/dbraw/zinc/88/72/83/1432887283.db2.gz HYRBXWFCBWZVAN-ZDUSSCGKSA-N 0 0 375.432 3.180 20 30 GGEDRN CC(C)[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C2CC2)no1 ZINC000192767963 1432887658 /nfs/dbraw/zinc/88/76/58/1432887658.db2.gz IBKDTJWZJCHCRQ-ZWKOTPCHSA-N 0 0 379.464 3.301 20 30 GGEDRN Cc1ccc(Cn2nccc2NC(=O)CCc2c(C)nn(CCC#N)c2C)o1 ZINC000192773512 1432888454 /nfs/dbraw/zinc/88/84/54/1432888454.db2.gz WQCYFVKEBQGKAP-UHFFFAOYSA-N 0 0 380.452 3.131 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(OC(F)F)c(F)c3)CC2)o1 ZINC000192787079 1432890994 /nfs/dbraw/zinc/89/09/94/1432890994.db2.gz TXOZLVAINMIQHO-UHFFFAOYSA-N 0 0 394.353 3.450 20 30 GGEDRN COCCOc1ccc(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)c(C)c1 ZINC000192791982 1432891455 /nfs/dbraw/zinc/89/14/55/1432891455.db2.gz GKEJBARTEDVQRL-UHFFFAOYSA-N 0 0 398.463 3.043 20 30 GGEDRN COc1ccc(CC[C@@H](C)NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000192792334 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388.512 3.299 20 30 GGEDRN Cc1ccc(C[C@H](C)NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)c(C)c1 ZINC000193106861 1432936891 /nfs/dbraw/zinc/93/68/91/1432936891.db2.gz IKBPZWAYZOCURX-INIZCTEOSA-N 0 0 380.492 3.418 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(C(C)=O)c2)cc1 ZINC000193118395 1432938757 /nfs/dbraw/zinc/93/87/57/1432938757.db2.gz XGQSTYYMCVYNJW-UHFFFAOYSA-N 0 0 386.473 3.256 20 30 GGEDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000193119525 1432938913 /nfs/dbraw/zinc/93/89/13/1432938913.db2.gz NCVQLCVXZDWLAS-ZDUSSCGKSA-N 0 0 397.435 3.147 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)c3ccncc3C(F)(F)F)CC2)nc1 ZINC000193126143 1432940461 /nfs/dbraw/zinc/94/04/61/1432940461.db2.gz IBTBOEWETTWPNF-UHFFFAOYSA-N 0 0 390.365 3.487 20 30 GGEDRN N#Cc1c(NC(=O)CS(=O)(=O)CCCc2ccccc2)sc2c1CCC2 ZINC000193126920 1432940556 /nfs/dbraw/zinc/94/05/56/1432940556.db2.gz QXWFLYNDHSCWOX-UHFFFAOYSA-N 0 0 388.514 3.095 20 30 GGEDRN CC(C)[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1cccnc1 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Cc1ccccc1C[C@@H](C)NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000193952521 1433091358 /nfs/dbraw/zinc/09/13/58/1433091358.db2.gz NUBXFIFBVVDECF-QGZVFWFLSA-N 0 0 379.460 3.364 20 30 GGEDRN Cc1c(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)nnn1Cc1ccc(F)cc1 ZINC000193966831 1433093445 /nfs/dbraw/zinc/09/34/45/1433093445.db2.gz YSORAGNSFKHYMY-UHFFFAOYSA-N 0 0 389.434 3.450 20 30 GGEDRN N#CCC1(O)CN(C(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)C1 ZINC000193971771 1433094399 /nfs/dbraw/zinc/09/43/99/1433094399.db2.gz SEVJNVXQEUYVES-UHFFFAOYSA-N 0 0 382.363 3.414 20 30 GGEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1C(=O)NCC[C@H]1C ZINC000193974968 1433094685 /nfs/dbraw/zinc/09/46/85/1433094685.db2.gz OQZROYCKSSPVFV-BFUOFWGJSA-N 0 0 378.432 3.305 20 30 GGEDRN COc1ccc2c(c1)c(C(=O)N1CC(O)(CC#N)C1)c(C)n2Cc1ccccc1 ZINC000193980405 1433095588 /nfs/dbraw/zinc/09/55/88/1433095588.db2.gz YLXVEAHDEDVXOL-UHFFFAOYSA-N 0 0 389.455 3.107 20 30 GGEDRN CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CC(O)(CC#N)C2)cc1 ZINC000193984864 1433096468 /nfs/dbraw/zinc/09/64/68/1433096468.db2.gz XBGPQENIBUYTQR-UHFFFAOYSA-N 0 0 386.455 3.202 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000194003159 1433098943 /nfs/dbraw/zinc/09/89/43/1433098943.db2.gz GZBDHDBNYXSXKD-UHFFFAOYSA-N 0 0 379.825 3.463 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000194003642 1433099192 /nfs/dbraw/zinc/09/91/92/1433099192.db2.gz BWLHNWLSVSNFGE-UHFFFAOYSA-N 0 0 385.489 3.496 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000194004219 1433099332 /nfs/dbraw/zinc/09/93/32/1433099332.db2.gz KFZLCDBFWZHMHL-UHFFFAOYSA-N 0 0 394.456 3.484 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(OCCOC)cc1C ZINC000194005933 1433099440 /nfs/dbraw/zinc/09/94/40/1433099440.db2.gz VVOKCADMZUKPGJ-UHFFFAOYSA-N 0 0 388.489 3.235 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(/C=C/C(=O)OCC)cc1 ZINC000194005187 1433099590 /nfs/dbraw/zinc/09/95/90/1433099590.db2.gz NLGCPLIGOGAJEU-FMIVXFBMSA-N 0 0 398.484 3.478 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 ZINC000194005511 1433099594 /nfs/dbraw/zinc/09/95/94/1433099594.db2.gz QXFWIVXBNSQOMJ-UHFFFAOYSA-N 0 0 399.516 3.287 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000194005478 1433099598 /nfs/dbraw/zinc/09/95/98/1433099598.db2.gz BPAMHDAFRHIRPQ-UHFFFAOYSA-N 0 0 399.516 3.430 20 30 GGEDRN O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)N(CCO)CC(F)F ZINC000194006944 1433099838 /nfs/dbraw/zinc/09/98/38/1433099838.db2.gz SBSVBASTSYEWLT-LLVKDONJSA-N 0 0 392.271 3.160 20 30 GGEDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000194016022 1433101299 /nfs/dbraw/zinc/10/12/99/1433101299.db2.gz KJRNYVPUUKZQQW-UHFFFAOYSA-N 0 0 384.867 3.265 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(N(CC)CC)nc1 ZINC000194026158 1433103305 /nfs/dbraw/zinc/10/33/05/1433103305.db2.gz HSEACNWJFQSILO-UHFFFAOYSA-N 0 0 396.491 3.090 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000194025899 1433103316 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GGEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)C3CCC(O)CC3)c2)c1 ZINC000194070683 1433111704 /nfs/dbraw/zinc/11/17/04/1433111704.db2.gz FJGSCNKQJXVUCL-UHFFFAOYSA-N 0 0 377.440 3.363 20 30 GGEDRN C[C@H](NC(=O)OCc1ccccc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C ZINC000194082921 1433113876 /nfs/dbraw/zinc/11/38/76/1433113876.db2.gz MIQRLLALKWGMKE-HOCLYGCPSA-N 0 0 376.416 3.064 20 30 GGEDRN C[C@H]1CCNC(=O)[C@H]1NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000194086555 1433114496 /nfs/dbraw/zinc/11/44/96/1433114496.db2.gz DGIORWGKKWUFMP-SGTLLEGYSA-N 0 0 382.395 3.136 20 30 GGEDRN C[C@H]1CCNC(=O)[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000194086525 1433114532 /nfs/dbraw/zinc/11/45/32/1433114532.db2.gz DGIORWGKKWUFMP-KPZWWZAWSA-N 0 0 382.395 3.136 20 30 GGEDRN CN(CCCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1F ZINC000194087228 1433114624 /nfs/dbraw/zinc/11/46/24/1433114624.db2.gz KZVCESSMDDLCRS-UHFFFAOYSA-N 0 0 396.466 3.208 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000194103196 1433118074 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GGEDRN COc1ccc(Cl)cc1CN1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000194131466 1433122721 /nfs/dbraw/zinc/12/27/21/1433122721.db2.gz PZPPPUCLOCMBEZ-UHFFFAOYSA-N 0 0 399.878 3.209 20 30 GGEDRN COc1ccc(-c2nc(CSCC(=O)Nc3ccc(C#N)cc3)no2)cc1 ZINC000194133652 1433123215 /nfs/dbraw/zinc/12/32/15/1433123215.db2.gz XZEXZIBKERJKDL-UHFFFAOYSA-N 0 0 380.429 3.489 20 30 GGEDRN CS(=O)(=O)c1ccc(F)c(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000194163181 1433128964 /nfs/dbraw/zinc/12/89/64/1433128964.db2.gz UVRXXUITEUWASD-UHFFFAOYSA-N 0 0 399.365 3.030 20 30 GGEDRN CCCCCNC(=O)[C@@H](C#N)C(=O)CCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000194169464 1433130904 /nfs/dbraw/zinc/13/09/04/1433130904.db2.gz BHOPICPMSVHCIQ-HNNXBMFYSA-N 0 0 386.427 3.132 20 30 GGEDRN COc1cc(CNC(=O)c2ccccc2OCC#N)ccc1OCC(F)(F)F ZINC000194169106 1433130959 /nfs/dbraw/zinc/13/09/59/1433130959.db2.gz ZUBNJEIKLHSHHD-UHFFFAOYSA-N 0 0 394.349 3.469 20 30 GGEDRN Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)nnn1-c1ccc(C)cc1 ZINC000194173297 1433131779 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3.270 20 30 GGEDRN C=CCn1c(=O)c2ccc(C(=O)N(CC)c3nc(C)cs3)cc2[n-]c1=S ZINC000194200379 1433137342 /nfs/dbraw/zinc/13/73/42/1433137342.db2.gz JCQKFVDKGPFTBY-UHFFFAOYSA-N 0 0 386.502 3.303 20 30 GGEDRN Cn1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1=O ZINC000194206015 1433138609 /nfs/dbraw/zinc/13/86/09/1433138609.db2.gz LMLJTIQMBDTUOZ-UHFFFAOYSA-N 0 0 375.403 3.239 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)C(O)(c2ccccc2)c2ccccc2)c1 ZINC000194250573 1433149042 /nfs/dbraw/zinc/14/90/42/1433149042.db2.gz VVJYAVQYKVUEAZ-UHFFFAOYSA-N 0 0 398.462 3.001 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(OCC(C)C)c(OC)c2)c1 ZINC000194250527 1433149129 /nfs/dbraw/zinc/14/91/29/1433149129.db2.gz OSQWENHTSWIWCM-UHFFFAOYSA-N 0 0 394.471 3.422 20 30 GGEDRN CC(=O)c1c(C)[nH]c(C(=O)CN2CCCN(c3ccccc3C#N)CC2)c1C ZINC000194255689 1433150184 /nfs/dbraw/zinc/15/01/84/1433150184.db2.gz DHUPPULEECZWKT-UHFFFAOYSA-N 0 0 378.476 3.101 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)Cc2ccc(OCc3nccn3C)cc2)c1 ZINC000194263081 1433151612 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380.435 3.119 20 30 GGEDRN CCC[C@H](O)CNC(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 ZINC000217235376 1433364451 /nfs/dbraw/zinc/36/44/51/1433364451.db2.gz CETAYTPDOKAHHE-FQEVSTJZSA-N 0 0 380.444 3.156 20 30 GGEDRN Cc1cc(C#N)cc(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)c1 ZINC000221641205 1433365937 /nfs/dbraw/zinc/36/59/37/1433365937.db2.gz RQHXHWOICDKMTL-UHFFFAOYSA-N 0 0 383.473 3.340 20 30 GGEDRN C#CCSCCNC(=O)c1ccc(I)c(Cl)c1 ZINC000226799507 1433369017 /nfs/dbraw/zinc/36/90/17/1433369017.db2.gz SYGPSSXYAGFDBZ-UHFFFAOYSA-N 0 0 379.650 3.041 20 30 GGEDRN N#Cc1ccc(OC[C@H](O)C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000227909620 1433370769 /nfs/dbraw/zinc/37/07/69/1433370769.db2.gz PJNCFNITAGKSEK-IRLDBZIGSA-N 0 0 384.451 3.118 20 30 GGEDRN COc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c(OC)cc1Cl ZINC000242581583 1433446743 /nfs/dbraw/zinc/44/67/43/1433446743.db2.gz CHOJGFPFGDKKAC-CYBMUJFWSA-N 0 0 399.834 3.220 20 30 GGEDRN COc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c(OC)cc1Cl ZINC000242581584 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390.915 3.167 20 30 GGEDRN Cc1oc(NC(=O)[C@@H](C)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(C#N)c1C ZINC000245404299 1433461237 /nfs/dbraw/zinc/46/12/37/1433461237.db2.gz OTLPRPOCKHVJNF-KZULUSFZSA-N 0 0 389.402 3.447 20 30 GGEDRN C=CCc1ccc(OC[C@H](O)CN2C[C@H](C)C(=O)Nc3ccccc32)c(OC)c1 ZINC000245418367 1433463913 /nfs/dbraw/zinc/46/39/13/1433463913.db2.gz AJBCOCCHAGBGJI-FUHWJXTLSA-N 0 0 396.487 3.258 20 30 GGEDRN CC(C)n1cnnc1[C@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245439971 1433468239 /nfs/dbraw/zinc/46/82/39/1433468239.db2.gz UCRSGBPCNPPGSB-MOPGFXCFSA-N 0 0 394.523 3.374 20 30 GGEDRN C[C@H](CCOc1ccccc1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000245445731 1433469318 /nfs/dbraw/zinc/46/93/18/1433469318.db2.gz KPCYPCAMZNSFKQ-CTNGQTDRSA-N 0 0 377.488 3.328 20 30 GGEDRN N#C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CCN1Cc1ccccc1 ZINC000245505932 1433478455 /nfs/dbraw/zinc/47/84/55/1433478455.db2.gz MWGXPKTUCDCBAK-OAQYLSRUSA-N 0 0 375.451 3.426 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](N3CCO[C@@H](c4ccc(F)c(F)c4)C3)C2=O)cc1 ZINC000245514955 1433480071 /nfs/dbraw/zinc/48/00/71/1433480071.db2.gz CUPOXDSDVVTBJP-LEWJYISDSA-N 0 0 397.425 3.405 20 30 GGEDRN CCS[C@H](C)c1noc(CN(C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000245518116 1433480451 /nfs/dbraw/zinc/48/04/51/1433480451.db2.gz HKSBRPFDSCGFCR-PBHICJAKSA-N 0 0 399.520 3.383 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](N3CCO[C@@H](c4ccc(F)cc4)C3)C2=O)cc1 ZINC000245522027 1433480697 /nfs/dbraw/zinc/48/06/97/1433480697.db2.gz LHKHMBBTLWGFJM-NHCUHLMSSA-N 0 0 379.435 3.266 20 30 GGEDRN C[C@@H](CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)Cc1ccc(Cl)cc1 ZINC000245535201 1433482012 /nfs/dbraw/zinc/48/20/12/1433482012.db2.gz KKUPKRNJTZIIDY-CVEARBPZSA-N 0 0 397.910 3.308 20 30 GGEDRN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)C(C)(C)C#N ZINC000245534532 1433482018 /nfs/dbraw/zinc/48/20/18/1433482018.db2.gz HWFMEXXEXHPJGY-HUUCEWRRSA-N 0 0 378.494 3.345 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c1C ZINC000245574098 1433487091 /nfs/dbraw/zinc/48/70/91/1433487091.db2.gz DISUDXMUYWZRQT-PJIJBLCYSA-N 0 0 393.491 3.240 20 30 GGEDRN CCC1(CC)[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)[C@H]1OC ZINC000245585604 1433488088 /nfs/dbraw/zinc/48/80/88/1433488088.db2.gz DHFOQONNMVNZNN-IUIKQTSFSA-N 0 0 377.872 3.106 20 30 GGEDRN CCC1(CC)[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H](C)[C@H]1OC ZINC000245619508 1433491651 /nfs/dbraw/zinc/49/16/51/1433491651.db2.gz QQUOWDZFSGRASW-ZTFGCOKTSA-N 0 0 385.508 3.382 20 30 GGEDRN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000245620850 1433491973 /nfs/dbraw/zinc/49/19/73/1433491973.db2.gz PECQOCRBHOFNLO-GCJKJVERSA-N 0 0 395.478 3.404 20 30 GGEDRN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000245639045 1433494091 /nfs/dbraw/zinc/49/40/91/1433494091.db2.gz YCRYYIXDPUAYRM-KNQAVFIVSA-N 0 0 377.488 3.265 20 30 GGEDRN C[C@@H](c1ccco1)N(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CC1 ZINC000245641228 1433494385 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ZINC000269779430 1434675238 /nfs/dbraw/zinc/67/52/38/1434675238.db2.gz IAJUJOVJIWQNIU-CQSZACIVSA-N 0 0 386.452 3.104 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)Nc2nc3c(s2)COCC3)cc1C#N ZINC000269788300 1434675601 /nfs/dbraw/zinc/67/56/01/1434675601.db2.gz DSWHUODKHFYGBD-UHFFFAOYSA-N 0 0 387.421 3.300 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CC)cc1C#N ZINC000269790183 1434675712 /nfs/dbraw/zinc/67/57/12/1434675712.db2.gz GMJSUICOEFIJSX-BBRMVZONSA-N 0 0 386.452 3.150 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)NCc2cccc(OCCCOC)c2)cc1 ZINC000269792915 1434676264 /nfs/dbraw/zinc/67/62/64/1434676264.db2.gz NWCLIKRENRLNCT-UHFFFAOYSA-N 0 0 397.475 3.339 20 30 GGEDRN CCOCCC1(CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000269794650 1434676363 /nfs/dbraw/zinc/67/63/63/1434676363.db2.gz ICWAMUGJGCYYBY-OAHLLOKOSA-N 0 0 389.521 3.342 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)NC2C[C@H](C)C[C@@H](C)C2)cc1C#N ZINC000269795747 1434676437 /nfs/dbraw/zinc/67/64/37/1434676437.db2.gz IKPLBKKWSJSSDB-CHWSQXEVSA-N 0 0 386.452 3.006 20 30 GGEDRN CC(C)Oc1cc(CNC(=O)C(=O)Nc2ccccc2SCCC#N)ccn1 ZINC000269795557 1434676447 /nfs/dbraw/zinc/67/64/47/1434676447.db2.gz LWCLDIWTORRFKH-UHFFFAOYSA-N 0 0 398.488 3.129 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)cc1C#N ZINC000269796503 1434676481 /nfs/dbraw/zinc/67/64/81/1434676481.db2.gz PLGKFMYMYCZEGF-KRWDZBQOSA-N 0 0 398.419 3.113 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)cc1C#N ZINC000269795752 1434676490 /nfs/dbraw/zinc/67/64/90/1434676490.db2.gz IKPLBKKWSJSSDB-VIKVFOODSA-N 0 0 386.452 3.006 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccco2)N(C)C)cc1C#N ZINC000269799989 1434676685 /nfs/dbraw/zinc/67/66/85/1434676685.db2.gz AODIMHBXNNKKQZ-INIZCTEOSA-N 0 0 385.424 3.144 20 30 GGEDRN C#CCN(CC)C(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C(=O)OCC ZINC000269801681 1434676921 /nfs/dbraw/zinc/67/69/21/1434676921.db2.gz DFOQKCXUOKDORI-UHFFFAOYSA-N 0 0 393.509 3.202 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC2CCC(C)CC2)cc1C#N ZINC000269810577 1434677628 /nfs/dbraw/zinc/67/76/28/1434677628.db2.gz MZEPGRFACSDVKA-UHFFFAOYSA-N 0 0 386.452 3.008 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)Cc2c(OC)cccc2OC)cc1C#N ZINC000269815183 1434677924 /nfs/dbraw/zinc/67/79/24/1434677924.db2.gz VUSPZCIFIQVUSR-UHFFFAOYSA-N 0 0 383.404 3.325 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC2(CC)CCCC2)cc1C#N ZINC000269816293 1434678218 /nfs/dbraw/zinc/67/82/18/1434678218.db2.gz OOINXXFLENINCN-UHFFFAOYSA-N 0 0 386.452 3.152 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](CC)C2)cc1C#N ZINC000269819125 1434678464 /nfs/dbraw/zinc/67/84/64/1434678464.db2.gz PKOJPOVVHRPFMN-DZGCQCFKSA-N 0 0 386.452 3.150 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)N(C)[C@H]2CCCC[C@H]2C)cc1C#N ZINC000269821974 1434678570 /nfs/dbraw/zinc/67/85/70/1434678570.db2.gz QAUYNCUFAKBWNP-DYVFJYSZSA-N 0 0 386.452 3.102 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)NC[C@](C)(O)c2ccsc2)cc1C#N ZINC000269823205 1434678647 /nfs/dbraw/zinc/67/86/47/1434678647.db2.gz JDYQNMVAQIVBDV-SFHVURJKSA-N 0 0 388.449 3.217 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)NC[C@H](O)c2ccccc2C)cc1C#N ZINC000269822092 1434678665 /nfs/dbraw/zinc/67/86/65/1434678665.db2.gz IXBNBPSNYCHKIP-SFHVURJKSA-N 0 0 382.420 3.290 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)NC[C@](C)(O)c2cccs2)cc1C#N ZINC000269824274 1434678825 /nfs/dbraw/zinc/67/88/25/1434678825.db2.gz JPFGSUQKWYHGSI-SFHVURJKSA-N 0 0 388.449 3.217 20 30 GGEDRN N#Cc1cccc(-c2csc(NC(=O)C(=O)NCCOC3CCCCC3)n2)c1 ZINC000269826261 1434679083 /nfs/dbraw/zinc/67/90/83/1434679083.db2.gz RNNMKUMTZOBTAA-UHFFFAOYSA-N 0 0 398.488 3.086 20 30 GGEDRN N#Cc1ccnc(N2CCN(Cc3coc(-c4c(F)cccc4F)n3)CC2)c1 ZINC000269842278 1434680610 /nfs/dbraw/zinc/68/06/10/1434680610.db2.gz HWARIFXCWXVWHZ-UHFFFAOYSA-N 0 0 381.386 3.209 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1C#N ZINC000269842563 1434680634 /nfs/dbraw/zinc/68/06/34/1434680634.db2.gz VWRQIXJJZQWKHL-CJNGLKHVSA-N 0 0 386.452 3.102 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCC[C@H](C)C2)cc1C#N ZINC000269842571 1434680678 /nfs/dbraw/zinc/68/06/78/1434680678.db2.gz VWRQIXJJZQWKHL-XJKSGUPXSA-N 0 0 386.452 3.102 20 30 GGEDRN CS(=O)(=O)CCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CC1 ZINC000269843808 1434680873 /nfs/dbraw/zinc/68/08/73/1434680873.db2.gz ICOLVVVKQIFWBE-UHFFFAOYSA-N 0 0 399.472 3.391 20 30 GGEDRN CCCC1(CNC(=O)C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)CCC1 ZINC000269845886 1434680885 /nfs/dbraw/zinc/68/08/85/1434680885.db2.gz WRPQXPHDTFGYFN-UHFFFAOYSA-N 0 0 386.452 3.152 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)NC[C@H](O)c2cccc(C)c2)cc1C#N ZINC000269848479 1434681153 /nfs/dbraw/zinc/68/11/53/1434681153.db2.gz QETADMQKEYPXHB-SFHVURJKSA-N 0 0 382.420 3.290 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)NC[C@@H](O)c2cccc(C)c2)cc1C#N ZINC000269848477 1434681205 /nfs/dbraw/zinc/68/12/05/1434681205.db2.gz QETADMQKEYPXHB-GOSISDBHSA-N 0 0 382.420 3.290 20 30 GGEDRN C[C@@H](O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000269854519 1434681748 /nfs/dbraw/zinc/68/17/48/1434681748.db2.gz BWANMEXHQYSRAS-CRAIPNDOSA-N 0 0 393.443 3.051 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)N(CCOC)Cc2ccccn2)cc1C#N ZINC000269859035 1434682187 /nfs/dbraw/zinc/68/21/87/1434682187.db2.gz UEMDRHAKQSDIKB-UHFFFAOYSA-N 0 0 397.435 3.202 20 30 GGEDRN N#Cc1ccnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000269860139 1434682238 /nfs/dbraw/zinc/68/22/38/1434682238.db2.gz KNUPVTAZSHKYTL-UHFFFAOYSA-N 0 0 377.326 3.207 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCCc3c2cnn3C)cc1C#N ZINC000269864074 1434682472 /nfs/dbraw/zinc/68/24/72/1434682472.db2.gz VLUVHGCJXOASSP-MRXNPFEDSA-N 0 0 382.424 3.059 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)NCc2cccc(OC)c2OC)cc1C#N ZINC000269866342 1434682648 /nfs/dbraw/zinc/68/26/48/1434682648.db2.gz WLSOIENMFVAMMQ-UHFFFAOYSA-N 0 0 398.419 3.466 20 30 GGEDRN COCCCOc1cccc(CNC(=O)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000269874271 1434683298 /nfs/dbraw/zinc/68/32/98/1434683298.db2.gz ISWCIAVFXICBGC-UHFFFAOYSA-N 0 0 379.460 3.462 20 30 GGEDRN N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3CC[C@H](O)CC3)s2)cc1 ZINC000269885117 1434684159 /nfs/dbraw/zinc/68/41/59/1434684159.db2.gz ZYXJAIOZBOAKCA-HDJSIYSDSA-N 0 0 389.506 3.127 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)c(Cl)c1 ZINC000269941032 1434688469 /nfs/dbraw/zinc/68/84/69/1434688469.db2.gz DOSWUVKKXTVTTJ-BEFAXECRSA-N 0 0 397.862 3.434 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c(Cl)c1 ZINC000269941041 1434688491 /nfs/dbraw/zinc/68/84/91/1434688491.db2.gz DOSWUVKKXTVTTJ-KXBFYZLASA-N 0 0 397.862 3.434 20 30 GGEDRN N#Cc1ccc(NC(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)cc1C(F)(F)F ZINC000269953567 1434689493 /nfs/dbraw/zinc/68/94/93/1434689493.db2.gz QLVKQUDUYXAYLV-WBVHZDCISA-N 0 0 393.365 3.183 20 30 GGEDRN Cn1c2cccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2oc1=O ZINC000269955654 1434689781 /nfs/dbraw/zinc/68/97/81/1434689781.db2.gz YTZQULHIQXITJT-UHFFFAOYSA-N 0 0 392.415 3.078 20 30 GGEDRN C=C(C)[C@@H](CC(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1)OCC ZINC000270021621 1434694134 /nfs/dbraw/zinc/69/41/34/1434694134.db2.gz FKFIZMROJPPDTH-YLJYHZDGSA-N 0 0 387.524 3.491 20 30 GGEDRN C=C(C)[C@@H](CC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)OCC ZINC000270039709 1434695560 /nfs/dbraw/zinc/69/55/60/1434695560.db2.gz GTNZYLSIHCEOCI-GOSISDBHSA-N 0 0 392.477 3.068 20 30 GGEDRN C=C(C)[C@H](CC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)OCC ZINC000270039711 1434695663 /nfs/dbraw/zinc/69/56/63/1434695663.db2.gz GTNZYLSIHCEOCI-SFHVURJKSA-N 0 0 392.477 3.068 20 30 GGEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CNc2cccc3c2oc(=O)n3C)c1 ZINC000270048323 1434696439 /nfs/dbraw/zinc/69/64/39/1434696439.db2.gz HBKSXMHHNNLIMO-UHFFFAOYSA-N 0 0 378.432 3.107 20 30 GGEDRN CC(C)[C@@H](O)C(C)(C)CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000270069334 1434698979 /nfs/dbraw/zinc/69/89/79/1434698979.db2.gz LHYGIMLCHYXVEB-WMLDXEAASA-N 0 0 391.537 3.179 20 30 GGEDRN CC(C)[C@H](O)C(C)(C)CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000270069338 1434699006 /nfs/dbraw/zinc/69/90/06/1434699006.db2.gz LHYGIMLCHYXVEB-YOEHRIQHSA-N 0 0 391.537 3.179 20 30 GGEDRN C=CCn1c(S[C@H](C(=O)OC)c2cccc(C(=O)OC)c2)nnc1C1CC1 ZINC000270070913 1434699365 /nfs/dbraw/zinc/69/93/65/1434699365.db2.gz ZJMFKJOLXSPMID-HNNXBMFYSA-N 0 0 387.461 3.135 20 30 GGEDRN C=C(C)[C@@H](CC(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1)OCC ZINC000270072161 1434699535 /nfs/dbraw/zinc/69/95/35/1434699535.db2.gz RZXPEOVMPXQYIK-HXUWFJFHSA-N 0 0 381.476 3.346 20 30 GGEDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000270089300 1434702024 /nfs/dbraw/zinc/70/20/24/1434702024.db2.gz JTKQMXFSUWLMLW-VDMFXUGISA-N 0 0 390.509 3.011 20 30 GGEDRN COc1cccc(COc2cccc(NC(=O)N3CCO[C@H](C#N)C3)c2C)c1 ZINC000270091178 1434702032 /nfs/dbraw/zinc/70/20/32/1434702032.db2.gz BXLVWAAUEZKKOM-GOSISDBHSA-N 0 0 381.432 3.339 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000270091244 1434702044 /nfs/dbraw/zinc/70/20/44/1434702044.db2.gz HBTQOWPTTOTLKN-POXGOYDTSA-N 0 0 397.500 3.041 20 30 GGEDRN C#CC[C@@H](NC(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccccc1 ZINC000270118401 1434705222 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Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CS(=O)(=O)C(C)(C)C ZINC000271227175 1434809476 /nfs/dbraw/zinc/80/94/76/1434809476.db2.gz XKZLQTYXSUGOFO-UHFFFAOYSA-N 0 0 387.461 3.206 20 30 GGEDRN COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)N(C)[C@H](C)CC#N)c2)c1 ZINC000271301043 1434814448 /nfs/dbraw/zinc/81/44/48/1434814448.db2.gz QVHCVSLPYCPZEP-CYBMUJFWSA-N 0 0 397.431 3.036 20 30 GGEDRN C[C@@H]1C[C@H](CNC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCO1 ZINC000271309215 1434814837 /nfs/dbraw/zinc/81/48/37/1434814837.db2.gz MABKQBAIUDTVIC-NVXWUHKLSA-N 0 0 393.443 3.220 20 30 GGEDRN C[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCO1 ZINC000271309216 1434814853 /nfs/dbraw/zinc/81/48/53/1434814853.db2.gz MABKQBAIUDTVIC-RDJZCZTQSA-N 0 0 393.443 3.220 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)NCc2ccc([C@@H](C)O)c(C)n2)cc1OC ZINC000271356945 1434818877 /nfs/dbraw/zinc/81/88/77/1434818877.db2.gz PAVAGUDVFCZRFG-AYAUWGRQSA-N 0 0 382.460 3.346 20 30 GGEDRN CC(C)[C@@H]1C[C@H](NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CCO1 ZINC000271360848 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382.416 3.146 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@H](CC)OC1CCCCC1 ZINC000271438003 1434824816 /nfs/dbraw/zinc/82/48/16/1434824816.db2.gz BMNYZAZMUFRYAF-INIZCTEOSA-N 0 0 376.457 3.040 20 30 GGEDRN CC1(C)CC[C@@H](CNC(=O)C(=O)Nc2cccc(OCC#N)c2)c2ccccc21 ZINC000271440297 1434824959 /nfs/dbraw/zinc/82/49/59/1434824959.db2.gz QYZZNISLGAFKTO-INIZCTEOSA-N 0 0 391.471 3.499 20 30 GGEDRN C=CCN(C(=O)Nc1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1)C1CC1 ZINC000271449202 1434825634 /nfs/dbraw/zinc/82/56/34/1434825634.db2.gz CSNONCIAXMGATD-UHFFFAOYSA-N 0 0 399.491 3.284 20 30 GGEDRN N#Cc1ccnc(N2CCN(C(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)CC2)c1 ZINC000271495139 1434829450 /nfs/dbraw/zinc/82/94/50/1434829450.db2.gz VEVVWAMCPPBGBU-UHFFFAOYSA-N 0 0 397.389 3.121 20 30 GGEDRN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)NCc2ccc(OCC#N)cc2)cc1 ZINC000271531052 1434832528 /nfs/dbraw/zinc/83/25/28/1434832528.db2.gz NZSYWXGXZDDRCO-QRWLVFNGSA-N 0 0 383.448 3.173 20 30 GGEDRN CCCCN(C(=O)Nc1cc(C#N)ccc1OC(C)C)[C@H]1CCS(=O)(=O)C1 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XKDTXGDVKAERAJ-HUUCEWRRSA-N 0 0 388.468 3.451 20 30 GGEDRN C=CCN(C(=O)Nc1cccc(Oc2ccncc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000272036979 1434867900 /nfs/dbraw/zinc/86/79/00/1434867900.db2.gz OAHNBEZTHPDMNU-MRXNPFEDSA-N 0 0 387.461 3.081 20 30 GGEDRN Cc1cc(NC(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)nn1CCC#N ZINC000272041224 1434868334 /nfs/dbraw/zinc/86/83/34/1434868334.db2.gz FWJZRKAOYPQTNU-OAHLLOKOSA-N 0 0 380.452 3.115 20 30 GGEDRN Cc1cc(NC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)nn1CCC#N ZINC000272050932 1434868811 /nfs/dbraw/zinc/86/88/11/1434868811.db2.gz HLHPLGWNXLTLSK-INIZCTEOSA-N 0 0 381.436 3.245 20 30 GGEDRN C=CCN(C(=O)Nc1cc(-c2ccccc2)cnc1C)[C@H]1CCS(=O)(=O)C1 ZINC000272055686 1434869184 /nfs/dbraw/zinc/86/91/84/1434869184.db2.gz RECNVZUMIUNEBG-SFHVURJKSA-N 0 0 385.489 3.264 20 30 GGEDRN Cc1cc(NC(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)nn1CCC#N ZINC000272062586 1434869610 /nfs/dbraw/zinc/86/96/10/1434869610.db2.gz JCNHOXPVUJEUBS-QGZVFWFLSA-N 0 0 397.870 3.403 20 30 GGEDRN Cc1cc(NC(=O)NCCCNc2ccc(C(F)(F)F)cn2)nn1CCC#N ZINC000272097358 1434871811 /nfs/dbraw/zinc/87/18/11/1434871811.db2.gz ODXWJBNQSGBZNO-UHFFFAOYSA-N 0 0 395.389 3.143 20 30 GGEDRN CC[C@H]1Oc2cc([C@H](C)NC(=O)Nc3cc(C)n(CCC#N)n3)ccc2NC1=O ZINC000272101950 1434872197 /nfs/dbraw/zinc/87/21/97/1434872197.db2.gz OWEPFTWXDWWOOC-XJKSGUPXSA-N 0 0 396.451 3.097 20 30 GGEDRN Cc1cc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)nn1CCC#N ZINC000272105262 1434872341 /nfs/dbraw/zinc/87/23/41/1434872341.db2.gz PMSGFLUHIABHNK-UYAOXDASSA-N 0 0 389.463 3.352 20 30 GGEDRN Cc1cc(NC(=O)NCCc2ccc(OC(F)(F)F)cc2)nn1CCC#N ZINC000272119825 1434873337 /nfs/dbraw/zinc/87/33/37/1434873337.db2.gz SAAKCLXAMIANCH-UHFFFAOYSA-N 0 0 381.358 3.368 20 30 GGEDRN Cc1cc(NC(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)nn1CCC#N ZINC000272120740 1434873494 /nfs/dbraw/zinc/87/34/94/1434873494.db2.gz SEOSIRPUNPXQEN-RDJZCZTQSA-N 0 0 375.379 3.035 20 30 GGEDRN Cc1cc(NC(=O)NCc2cccc(OCC(F)(F)F)c2)nn1CCC#N ZINC000272155780 1434875378 /nfs/dbraw/zinc/87/53/78/1434875378.db2.gz YGKSDXGCTMFQJH-UHFFFAOYSA-N 0 0 381.358 3.368 20 30 GGEDRN Cc1cc(NC(=O)NCCc2nc(-c3cccc(Cl)c3)no2)nn1CCC#N ZINC000272165166 1434875702 /nfs/dbraw/zinc/87/57/02/1434875702.db2.gz ZIZMRIIRCVJFHX-UHFFFAOYSA-N 0 0 399.842 3.173 20 30 GGEDRN Cc1cc(NC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)nn1CCC#N ZINC000272163808 1434875705 /nfs/dbraw/zinc/87/57/05/1434875705.db2.gz OIALMURLYZOOEX-LLVKDONJSA-N 0 0 382.390 3.223 20 30 GGEDRN Cc1cc(NC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)nn1CCC#N ZINC000272163809 1434875752 /nfs/dbraw/zinc/87/57/52/1434875752.db2.gz OIALMURLYZOOEX-NSHDSACASA-N 0 0 382.390 3.223 20 30 GGEDRN N#Cc1ccc(Oc2cccc(C(=O)NC[C@@H]3COC4(CCOCC4)O3)c2)cc1 ZINC000272190981 1434877055 /nfs/dbraw/zinc/87/70/55/1434877055.db2.gz RWUHDGVMMNZSOO-HXUWFJFHSA-N 0 0 394.427 3.002 20 30 GGEDRN CC1(C)C[C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C(C)(C)O1 ZINC000272193624 1434877237 /nfs/dbraw/zinc/87/72/37/1434877237.db2.gz BTXYNPAVTCKGOQ-GOSISDBHSA-N 0 0 398.507 3.264 20 30 GGEDRN N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000272216378 1434878655 /nfs/dbraw/zinc/87/86/55/1434878655.db2.gz JUQHJRKARGFVOK-CQSZACIVSA-N 0 0 381.440 3.411 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1[C@H](O)C(F)(F)F ZINC000272217672 1434878753 /nfs/dbraw/zinc/87/87/53/1434878753.db2.gz JQYGCHDXCBKFAZ-KRWDZBQOSA-N 0 0 393.365 3.443 20 30 GGEDRN N#CCCN(C(=O)CCC(=O)N1CCC[C@H]1[C@H]1CCCC1=O)c1ccccc1 ZINC000272219970 1434878944 /nfs/dbraw/zinc/87/89/44/1434878944.db2.gz TVAWWOUOQYEJKV-MOPGFXCFSA-N 0 0 381.476 3.074 20 30 GGEDRN C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2c[nH]c(C#N)c2)c1 ZINC000272220616 1434878996 /nfs/dbraw/zinc/87/89/96/1434878996.db2.gz RWGDFGWULJSPPG-ZDUSSCGKSA-N 0 0 383.427 3.091 20 30 GGEDRN C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2c[nH]c(C#N)c2)c1 ZINC000272220615 1434879031 /nfs/dbraw/zinc/87/90/31/1434879031.db2.gz RWGDFGWULJSPPG-CYBMUJFWSA-N 0 0 383.427 3.091 20 30 GGEDRN Cn1cc(CN2CCN(Cc3ccc(C#N)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272253502 1434881970 /nfs/dbraw/zinc/88/19/70/1434881970.db2.gz IRISGYZCTRKWQC-UHFFFAOYSA-N 0 0 396.498 3.148 20 30 GGEDRN CC(C)c1nc([C@H]2CCCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000272284185 1434884293 /nfs/dbraw/zinc/88/42/93/1434884293.db2.gz GAEKUTYNDKZZMR-PKOBYXMFSA-N 0 0 393.491 3.440 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(C)c2ncccc21 ZINC000272289200 1434884565 /nfs/dbraw/zinc/88/45/65/1434884565.db2.gz ROPMRANGOYLVHN-HNNXBMFYSA-N 0 0 381.505 3.371 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000272314205 1434886624 /nfs/dbraw/zinc/88/66/24/1434886624.db2.gz PFBUSLKAYRQJCA-VYDXJSESSA-N 0 0 389.521 3.029 20 30 GGEDRN CCOC(=O)Nc1ccc(NCc2ccccc2OCC(=O)N(C)C)cc1C#N ZINC000272332157 1434887725 /nfs/dbraw/zinc/88/77/25/1434887725.db2.gz FBVSSBRRACPINW-UHFFFAOYSA-N 0 0 396.447 3.206 20 30 GGEDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000272333752 1434887890 /nfs/dbraw/zinc/88/78/90/1434887890.db2.gz XAXZOGGPEHRXKJ-HUUCEWRRSA-N 0 0 388.468 3.356 20 30 GGEDRN COCC[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccc(C)o1 ZINC000272335711 1434888224 /nfs/dbraw/zinc/88/82/24/1434888224.db2.gz AVSNELILVHYGSW-VQTJNVASSA-N 0 0 396.491 3.085 20 30 GGEDRN COCC[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(C)o1 ZINC000272337110 1434888307 /nfs/dbraw/zinc/88/83/07/1434888307.db2.gz SJYGEBXNCLKDHZ-KRWDZBQOSA-N 0 0 383.448 3.222 20 30 GGEDRN CC(=O)c1ccc(C#N)c(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000272344873 1434888929 /nfs/dbraw/zinc/88/89/29/1434888929.db2.gz CEYYNWCOUOLFCU-UHFFFAOYSA-N 0 0 383.473 3.157 20 30 GGEDRN CCOC(=O)Nc1ccc(NCc2cnc(N3CCOCC3)s2)cc1C#N ZINC000272349457 1434889430 /nfs/dbraw/zinc/88/94/30/1434889430.db2.gz JWYPZNNUSXNZQE-UHFFFAOYSA-N 0 0 387.465 3.032 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000272360438 1434890413 /nfs/dbraw/zinc/89/04/13/1434890413.db2.gz FHADSYXTHDNBLL-UHFFFAOYSA-N 0 0 376.478 3.129 20 30 GGEDRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@](C)(C#N)C(C)(C)C ZINC000272377259 1434891718 /nfs/dbraw/zinc/89/17/18/1434891718.db2.gz CZHXLUYXZRIJET-QGZVFWFLSA-N 0 0 396.417 3.137 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000272381449 1434892241 /nfs/dbraw/zinc/89/22/41/1434892241.db2.gz HTMWHKVVHNHKCV-UKRRQHHQSA-N 0 0 388.468 3.334 20 30 GGEDRN COCC[C@H](NC(=O)N(CCOC)Cc1ccc(C#N)cc1)c1ccc(C)o1 ZINC000272398666 1434893741 /nfs/dbraw/zinc/89/37/41/1434893741.db2.gz XVOAIAGRYSIHSN-IBGZPJMESA-N 0 0 385.464 3.396 20 30 GGEDRN CC(C)(C)[C@@](C)(C#N)NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000272403261 1434894167 /nfs/dbraw/zinc/89/41/67/1434894167.db2.gz JSUXUGHRHFJRRH-HXUWFJFHSA-N 0 0 377.435 3.262 20 30 GGEDRN CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000272412043 1434894494 /nfs/dbraw/zinc/89/44/94/1434894494.db2.gz CLXXCOAALBAEFJ-UHFFFAOYSA-N 0 0 387.461 3.249 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)NCc1ccc(-n2nc(C)cc2C)nc1 ZINC000272414159 1434894664 /nfs/dbraw/zinc/89/46/64/1434894664.db2.gz GBCVXCCCTUDTKR-UHFFFAOYSA-N 0 0 379.464 3.417 20 30 GGEDRN CCC[C@H]1C[C@@H](C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CCO1 ZINC000272415772 1434894919 /nfs/dbraw/zinc/89/49/19/1434894919.db2.gz DAYRPYFVXLEHLT-ICSRJNTNSA-N 0 0 383.492 3.331 20 30 GGEDRN CCc1nc([C@H](C)NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000272417013 1434894938 /nfs/dbraw/zinc/89/49/38/1434894938.db2.gz CTPLVVXFRGGZSM-BBRMVZONSA-N 0 0 397.504 3.133 20 30 GGEDRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CNc1ccccc1O[C@H](C)C#N ZINC000272416649 1434894945 /nfs/dbraw/zinc/89/49/45/1434894945.db2.gz HHZNMXKPONQHLX-MRXNPFEDSA-N 0 0 397.475 3.455 20 30 GGEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCc3ccncc32)CC1 ZINC000272419486 1434895157 /nfs/dbraw/zinc/89/51/57/1434895157.db2.gz NEOITSQDVAALNZ-UHFFFAOYSA-N 0 0 389.415 3.007 20 30 GGEDRN COCC[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccco1 ZINC000272433410 1434895870 /nfs/dbraw/zinc/89/58/70/1434895870.db2.gz AZFWDRNNPUQXJR-AWEZNQCLSA-N 0 0 387.461 3.118 20 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COc1ccc(CC[C@@H](C)NC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 ZINC000272458881 1434897738 /nfs/dbraw/zinc/89/77/38/1434897738.db2.gz CFRKINPMHLSBKW-CVEARBPZSA-N 0 0 395.459 3.062 20 30 GGEDRN CNC(=O)CC1S/C(=N\c2cccc(C)c2)N(CC[C@@H]2CCCCO2)C1=O ZINC000272462932 1434897998 /nfs/dbraw/zinc/89/79/98/1434897998.db2.gz OIARNAHQAMSLPE-HCYZZJFPSA-N 0 0 389.521 3.022 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000272471589 1434898711 /nfs/dbraw/zinc/89/87/11/1434898711.db2.gz DMEKOELBEAXPBC-WFASDCNBSA-N 0 0 399.447 3.408 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000272471583 1434898712 /nfs/dbraw/zinc/89/87/12/1434898712.db2.gz DMEKOELBEAXPBC-IUODEOHRSA-N 0 0 399.447 3.408 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 ZINC000272480948 1434899278 /nfs/dbraw/zinc/89/92/78/1434899278.db2.gz SRZJVCSIAMNXFC-UHFFFAOYSA-N 0 0 377.466 3.222 20 30 GGEDRN COc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C2CC2)cc1 ZINC000272483063 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C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC1(Sc2ccccc2)CC1 ZINC000272516189 1434903015 /nfs/dbraw/zinc/90/30/15/1434903015.db2.gz JISFDFXWHZSYHX-OAHLLOKOSA-N 0 0 395.484 3.357 20 30 GGEDRN Cc1cc(NC(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)nn1CCC#N ZINC000272515969 1434903059 /nfs/dbraw/zinc/90/30/59/1434903059.db2.gz XOYFAJLPTPIOSC-UHFFFAOYSA-N 0 0 395.389 3.190 20 30 GGEDRN CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)C1(CC)CC ZINC000272519376 1434903244 /nfs/dbraw/zinc/90/32/44/1434903244.db2.gz JSCDXJLGJBYVOC-ZTFGCOKTSA-N 0 0 387.480 3.016 20 30 GGEDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)C1 ZINC000272518049 1434903356 /nfs/dbraw/zinc/90/33/56/1434903356.db2.gz PPTYJLNAFJIVOY-HLLBOEOZSA-N 0 0 387.480 3.087 20 30 GGEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000272518055 1434903391 /nfs/dbraw/zinc/90/33/91/1434903391.db2.gz PPTYJLNAFJIVOY-YQQAZPJKSA-N 0 0 387.480 3.087 20 30 GGEDRN CC(=O)c1ccc(C#N)c(N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000272523934 1434904107 /nfs/dbraw/zinc/90/41/07/1434904107.db2.gz NYSUFZQXYBYQFA-UHFFFAOYSA-N 0 0 396.878 3.175 20 30 GGEDRN CC1(C#N)CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1 ZINC000272527130 1434904288 /nfs/dbraw/zinc/90/42/88/1434904288.db2.gz MKXSXEHUOHKYSW-UHFFFAOYSA-N 0 0 383.473 3.253 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCc1ccccc1OCC1CC1 ZINC000272534445 1434905060 /nfs/dbraw/zinc/90/50/60/1434905060.db2.gz LHTZEDNJTPDCSN-HNNXBMFYSA-N 0 0 393.443 3.021 20 30 GGEDRN COCC[C@@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccco1 ZINC000272532699 1434905082 /nfs/dbraw/zinc/90/50/82/1434905082.db2.gz ZCXVYDXNYXJOFJ-IAGOWNOFSA-N 0 0 385.464 3.291 20 30 GGEDRN Cc1oc(NC(=O)[C@@H](C)N2CCc3c(ncn3-c3ccccc3)C2)c(C#N)c1C ZINC000272539522 1434905694 /nfs/dbraw/zinc/90/56/94/1434905694.db2.gz NIKJQQWBWPQZNF-OAHLLOKOSA-N 0 0 389.459 3.339 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000272538748 1434905697 /nfs/dbraw/zinc/90/56/97/1434905697.db2.gz RMYZFVMOGNPITH-UHFFFAOYSA-N 0 0 390.505 3.179 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000272538582 1434905852 /nfs/dbraw/zinc/90/58/52/1434905852.db2.gz LXSIADDPVKQJCC-GOEBONIOSA-N 0 0 381.407 3.071 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCO2)cc1 ZINC000272543085 1434906006 /nfs/dbraw/zinc/90/60/06/1434906006.db2.gz FWCQZVFFCRWTKE-SFHVURJKSA-N 0 0 393.443 3.364 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000272547994 1434906653 /nfs/dbraw/zinc/90/66/53/1434906653.db2.gz NBBBQOUGSPFWSX-OAHLLOKOSA-N 0 0 393.443 3.028 20 30 GGEDRN CC(C)COc1cccc(CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 ZINC000272552067 1434907116 /nfs/dbraw/zinc/90/71/16/1434907116.db2.gz NNPPXINPDZMFEU-INIZCTEOSA-N 0 0 395.459 3.267 20 30 GGEDRN CC(C)COc1ccc(CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 ZINC000272551914 1434907130 /nfs/dbraw/zinc/90/71/30/1434907130.db2.gz NKIKWVKPRFFCAP-INIZCTEOSA-N 0 0 395.459 3.267 20 30 GGEDRN COC(=O)c1sc(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc1Cl ZINC000272574769 1434909303 /nfs/dbraw/zinc/90/93/03/1434909303.db2.gz XGWDDUUXSAOHKG-GFCCVEGCSA-N 0 0 390.852 3.062 20 30 GGEDRN COCc1ccccc1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272573372 1434909347 /nfs/dbraw/zinc/90/93/47/1434909347.db2.gz SFZFSTMWKYKMNB-IBGZPJMESA-N 0 0 378.432 3.022 20 30 GGEDRN COC(=O)c1sc(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc1Cl ZINC000272574775 1434909459 /nfs/dbraw/zinc/90/94/59/1434909459.db2.gz XGWDDUUXSAOHKG-LBPRGKRZSA-N 0 0 390.852 3.062 20 30 GGEDRN COCC[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccco1 ZINC000272585442 1434910871 /nfs/dbraw/zinc/91/08/71/1434910871.db2.gz RMAJQOIYNNEOPQ-LJQANCHMSA-N 0 0 383.448 3.482 20 30 GGEDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000272592115 1434911868 /nfs/dbraw/zinc/91/18/68/1434911868.db2.gz XKHCADXZOMPRDS-RHSMWYFYSA-N 0 0 397.479 3.343 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000272596234 1434912584 /nfs/dbraw/zinc/91/25/84/1434912584.db2.gz XXWRXNCCCBFNTL-UHFFFAOYSA-N 0 0 383.416 3.076 20 30 GGEDRN Cc1c(CS(C)(=O)=O)cccc1NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000272598516 1434912991 /nfs/dbraw/zinc/91/29/91/1434912991.db2.gz XEMYPAFWKKAIFG-ZDUSSCGKSA-N 0 0 387.461 3.475 20 30 GGEDRN Cc1c(CS(C)(=O)=O)cccc1NC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000272598514 1434913129 /nfs/dbraw/zinc/91/31/29/1434913129.db2.gz XEMYPAFWKKAIFG-CYBMUJFWSA-N 0 0 387.461 3.475 20 30 GGEDRN COc1ccc(C)cc1[C@H](C)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000272599409 1434913476 /nfs/dbraw/zinc/91/34/76/1434913476.db2.gz TULBANQXLFLIRZ-GJZGRUSLSA-N 0 0 381.432 3.110 20 30 GGEDRN CC(C)Oc1cccc(CN(C)C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 ZINC000272603660 1434913739 /nfs/dbraw/zinc/91/37/39/1434913739.db2.gz UMNUNIBDPVUBFN-INIZCTEOSA-N 0 0 395.459 3.362 20 30 GGEDRN CC1(C#N)CCN(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)CC1 ZINC000272610473 1434914672 /nfs/dbraw/zinc/91/46/72/1434914672.db2.gz ZEFZHLSZPLDNRR-QGZVFWFLSA-N 0 0 385.468 3.145 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000272622699 1434916282 /nfs/dbraw/zinc/91/62/82/1434916282.db2.gz XKOWHJMCHLLADS-NJAFHUGGSA-N 0 0 377.444 3.368 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](NCc3cnc([C@@H]4CCCO4)s3)C2=O)cc1 ZINC000272621349 1434916349 /nfs/dbraw/zinc/91/63/49/1434916349.db2.gz WGAOLBCASVIGTD-ROUUACIJSA-N 0 0 382.489 3.151 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000272623991 1434916606 /nfs/dbraw/zinc/91/66/06/1434916606.db2.gz XQKWFMBHERIDTD-WFASDCNBSA-N 0 0 399.834 3.209 20 30 GGEDRN Cc1ccccc1[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1 ZINC000272625145 1434916640 /nfs/dbraw/zinc/91/66/40/1434916640.db2.gz XWKNVICVNJWHKO-DLBZAZTESA-N 0 0 377.444 3.241 20 30 GGEDRN CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc(C[S@](=O)CCOC)c1 ZINC000272628815 1434917113 /nfs/dbraw/zinc/91/71/13/1434917113.db2.gz UFBHVCWCUDARER-WXTAPIANSA-N 0 0 382.526 3.491 20 30 GGEDRN CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc(C[S@](=O)CCOC)c1 ZINC000272628813 1434917227 /nfs/dbraw/zinc/91/72/27/1434917227.db2.gz UFBHVCWCUDARER-HFJWLAOPSA-N 0 0 382.526 3.491 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)CCC(=O)Nc1nnc(C(C)C)s1 ZINC000272631348 1434917550 /nfs/dbraw/zinc/91/75/50/1434917550.db2.gz NEJVGWUPGDRITM-UHFFFAOYSA-N 0 0 376.482 3.231 20 30 GGEDRN COCCN(C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)[C@@H](C)c1ccccc1 ZINC000272632083 1434917554 /nfs/dbraw/zinc/91/75/54/1434917554.db2.gz YWBRUMVNDXPNDU-IRXDYDNUSA-N 0 0 395.459 3.152 20 30 GGEDRN COc1cc(NCCNC(=O)Nc2ccccc2O[C@@H](C)C#N)cc(OC)c1 ZINC000272635667 1434917826 /nfs/dbraw/zinc/91/78/26/1434917826.db2.gz CLCPUWHPJRCLQG-AWEZNQCLSA-N 0 0 384.436 3.228 20 30 GGEDRN CC(C)c1ncc(Cl)c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000272633600 1434917869 /nfs/dbraw/zinc/91/78/69/1434917869.db2.gz XGVWWQIGIVQPQZ-INIZCTEOSA-N 0 0 397.866 3.050 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000272634528 1434917908 /nfs/dbraw/zinc/91/79/08/1434917908.db2.gz CDNOQHKNHFVNKR-KBPBESRZSA-N 0 0 376.457 3.354 20 30 GGEDRN C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000272634529 1434918002 /nfs/dbraw/zinc/91/80/02/1434918002.db2.gz CDNOQHKNHFVNKR-KGLIPLIRSA-N 0 0 376.457 3.354 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000272636485 1434918165 /nfs/dbraw/zinc/91/81/65/1434918165.db2.gz CLKQZUJLRIHEJR-AWEZNQCLSA-N 0 0 378.432 3.273 20 30 GGEDRN Cc1cc2c(cc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1)OCO2 ZINC000272636921 1434918284 /nfs/dbraw/zinc/91/82/84/1434918284.db2.gz CBRVJXGUUKMJDQ-UHFFFAOYSA-N 0 0 379.416 3.389 20 30 GGEDRN COC(=O)COc1c(C)cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1C ZINC000272641768 1434918493 /nfs/dbraw/zinc/91/84/93/1434918493.db2.gz FUEYXHAVHHYQOA-HNNXBMFYSA-N 0 0 382.416 3.398 20 30 GGEDRN COC(=O)COc1c(C)cc(C(=O)Nc2ccccc2O[C@H](C)C#N)cc1C ZINC000272641771 1434919020 /nfs/dbraw/zinc/91/90/20/1434919020.db2.gz FUEYXHAVHHYQOA-OAHLLOKOSA-N 0 0 382.416 3.398 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F 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COc1ccc(NC(=O)CSCC(=O)Nc2ccccc2O[C@H](C)C#N)cc1 ZINC000272695207 1434923605 /nfs/dbraw/zinc/92/36/05/1434923605.db2.gz OPPLHJDWMRKBHI-CQSZACIVSA-N 0 0 399.472 3.296 20 30 GGEDRN N#CCOc1cccc(NC(=O)C(=O)NCC2(Cc3ccccc3)CCCC2)c1 ZINC000272696273 1434923831 /nfs/dbraw/zinc/92/38/31/1434923831.db2.gz XWBJZBIWTLTXIH-UHFFFAOYSA-N 0 0 391.471 3.447 20 30 GGEDRN CCOc1cc(CNc2cc(C#N)ccc2OC)ccc1O[C@@H](C)C(=O)N(C)C ZINC000272701051 1434924018 /nfs/dbraw/zinc/92/40/18/1434924018.db2.gz WEEOWTZSRLVEOW-HNNXBMFYSA-N 0 0 397.475 3.433 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000272706570 1434924529 /nfs/dbraw/zinc/92/45/29/1434924529.db2.gz WIVYHAUCFXWIOQ-GJZGRUSLSA-N 0 0 388.468 3.451 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000272707306 1434924733 /nfs/dbraw/zinc/92/47/33/1434924733.db2.gz WMYKINAVOWDHCV-CABCVRRESA-N 0 0 388.468 3.498 20 30 GGEDRN CCCC[C@H](ON=C(C)C)C(=O)NCCCS(=O)(=O)Cc1ccccc1 ZINC000272708593 1434924784 /nfs/dbraw/zinc/92/47/84/1434924784.db2.gz DEVHZIIZGPJNHZ-SFHVURJKSA-N 0 0 382.526 3.079 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)NCCCCNC(=O)OC(C)(C)C ZINC000272713015 1434925187 /nfs/dbraw/zinc/92/51/87/1434925187.db2.gz LABRJWFSGYVXGT-AWEZNQCLSA-N 0 0 376.457 3.404 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000272712804 1434925232 /nfs/dbraw/zinc/92/52/32/1434925232.db2.gz YGDNAAYSXZEEOM-KGLIPLIRSA-N 0 0 378.432 3.379 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000272716634 1434925603 /nfs/dbraw/zinc/92/56/03/1434925603.db2.gz YWGPGLZPISRMRV-IMFGXOCKSA-N 0 0 395.459 3.334 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000272716645 1434925636 /nfs/dbraw/zinc/92/56/36/1434925636.db2.gz YWGPGLZPISRMRV-YVWKXTFCSA-N 0 0 395.459 3.334 20 30 GGEDRN CC[C@@H]1C[C@H](CC(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)CCO1 ZINC000272724387 1434926070 /nfs/dbraw/zinc/92/60/70/1434926070.db2.gz KJFIYGRLIAPXNH-IEBWSBKVSA-N 0 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COc1cc(/C=C/C(=O)N2Cc3ccccc3OC[C@@H]2C)ccc1OCC#N ZINC000273024631 1434951702 /nfs/dbraw/zinc/95/17/02/1434951702.db2.gz SPJVAPNHQQLTAU-DZZUKKPASA-N 0 0 378.428 3.420 20 30 GGEDRN CCOc1ncc(C(=O)Nc2cc(C#N)ccc2OCCOC)cc1Cl ZINC000273039214 1434953573 /nfs/dbraw/zinc/95/35/73/1434953573.db2.gz AEKFPEXBJYMFOA-UHFFFAOYSA-N 0 0 375.812 3.283 20 30 GGEDRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NCCCC#N ZINC000273042200 1434954284 /nfs/dbraw/zinc/95/42/84/1434954284.db2.gz PELUWIAOWPZCLK-UHFFFAOYSA-N 0 0 378.354 3.111 20 30 GGEDRN C[C@@H]1C[C@@H](CCNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CCO1 ZINC000273049699 1434955381 /nfs/dbraw/zinc/95/53/81/1434955381.db2.gz GBOWJFZGEDFUJK-SJORKVTESA-N 0 0 398.507 3.124 20 30 GGEDRN COCCCOc1cccc(C(=O)Nc2cc(C#N)ccc2OCCOC)c1 ZINC000273056601 1434955951 /nfs/dbraw/zinc/95/59/51/1434955951.db2.gz DJJROAPWKKKTQZ-UHFFFAOYSA-N 0 0 384.432 3.251 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000273063349 1434956519 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3.123 20 30 GGEDRN N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3CCCC[C@H]3O)s2)cc1 ZINC000274734144 1435088485 /nfs/dbraw/zinc/08/84/85/1435088485.db2.gz COSNDKPAMCONEW-ZIAGYGMSSA-N 0 0 389.506 3.127 20 30 GGEDRN C=CCC(CC=C)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274751601 1435089631 /nfs/dbraw/zinc/08/96/31/1435089631.db2.gz HNQIFHBMISYQLQ-UHFFFAOYSA-N 0 0 383.452 3.278 20 30 GGEDRN C#C[C@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\c1ccc(OC(C)C)cc1 ZINC000274762291 1435090437 /nfs/dbraw/zinc/09/04/37/1435090437.db2.gz ILBOQMPFFCIUGU-YZKKFQQWSA-N 0 0 399.516 3.096 20 30 GGEDRN C#CCOc1ccccc1NC(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1 ZINC000274803521 1435093993 /nfs/dbraw/zinc/09/39/93/1435093993.db2.gz GCCQLBNULDLBGW-UHFFFAOYSA-N 0 0 399.472 3.191 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)N2CCSC3(CCOCC3)C2)cc1C#N ZINC000274810215 1435094628 /nfs/dbraw/zinc/09/46/28/1435094628.db2.gz MNERNUIVRYSPGD-UHFFFAOYSA-N 0 0 375.494 3.475 20 30 GGEDRN COc1ccccc1[C@H](CNC(=O)Nc1cc(C)n(CCC#N)n1)OC(C)C ZINC000274817412 1435095288 /nfs/dbraw/zinc/09/52/88/1435095288.db2.gz NWPAYVWVHSAROR-SFHVURJKSA-N 0 0 385.468 3.402 20 30 GGEDRN COC(=O)[C@@H]1C[C@@H](C)CCN1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000274823243 1435095659 /nfs/dbraw/zinc/09/56/59/1435095659.db2.gz BNACZTMKZMDRBA-UXLLHSPISA-N 0 0 389.521 3.293 20 30 GGEDRN N#CCOc1cccc(NC(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)c1 ZINC000274826531 1435095898 /nfs/dbraw/zinc/09/58/98/1435095898.db2.gz CHEAYAASDAGQEB-IBGZPJMESA-N 0 0 392.459 3.405 20 30 GGEDRN CCO[C@H]1C[C@H](O)C12CCN(C(=O)Nc1ccc(OC(C)C)c(C#N)c1)CC2 ZINC000274841047 1435097226 /nfs/dbraw/zinc/09/72/26/1435097226.db2.gz OODNKBADELSFEZ-OALUTQOASA-N 0 0 387.480 3.129 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)N2CCS(=O)(=O)c3ccccc3C2)cc1C#N ZINC000274851049 1435097842 /nfs/dbraw/zinc/09/78/42/1435097842.db2.gz RAYOOOLGYCQOMI-UHFFFAOYSA-N 0 0 399.472 3.167 20 30 GGEDRN COC1(CNC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)CCCCC1 ZINC000274855414 1435098091 /nfs/dbraw/zinc/09/80/91/1435098091.db2.gz WREOTWOTRYSPCD-OAHLLOKOSA-N 0 0 389.521 3.342 20 30 GGEDRN CC(C)(O)CCNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000274865792 1435098915 /nfs/dbraw/zinc/09/89/15/1435098915.db2.gz UOVIVLGLCRNAIN-KRWDZBQOSA-N 0 0 399.878 3.211 20 30 GGEDRN C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CC23CCS(=O)(=O)CC3)c1 ZINC000274883340 1435100958 /nfs/dbraw/zinc/10/09/58/1435100958.db2.gz DHYFYJIBPXELQT-OAQYLSRUSA-N 0 0 393.508 3.416 20 30 GGEDRN COC(=O)COc1ccc(CN(C)C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 ZINC000274898989 1435102065 /nfs/dbraw/zinc/10/20/65/1435102065.db2.gz RYAHFKSECLPLBT-HNNXBMFYSA-N 0 0 397.431 3.193 20 30 GGEDRN C#CCCCCC(=O)N(CCCCC)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000274916403 1435103403 /nfs/dbraw/zinc/10/34/03/1435103403.db2.gz WFISNQQWYLBHHU-UHFFFAOYSA-N 0 0 376.501 3.048 20 30 GGEDRN O=C(NC[C@@H](O)C(F)(F)F)N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000274933165 1435104256 /nfs/dbraw/zinc/10/42/56/1435104256.db2.gz OWSQYGADMALJDI-RKDXNWHRSA-N 0 0 396.234 3.114 20 30 GGEDRN N#CCOc1cccc(CC(=O)OCc2ccc(OCC(F)(F)F)nc2)c1 ZINC000274933206 1435104288 /nfs/dbraw/zinc/10/42/88/1435104288.db2.gz BWDMMBYYTCIEAG-UHFFFAOYSA-N 0 0 380.322 3.211 20 30 GGEDRN O=C(NC[C@@H](O)C(F)(F)F)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000274933158 1435104398 /nfs/dbraw/zinc/10/43/98/1435104398.db2.gz OWSQYGADMALJDI-BDAKNGLRSA-N 0 0 396.234 3.114 20 30 GGEDRN N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000274975745 1435107121 /nfs/dbraw/zinc/10/71/21/1435107121.db2.gz ANWDVOFXZRTKSC-SNVBAGLBSA-N 0 0 382.773 3.265 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC(OCC(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000274976488 1435107195 /nfs/dbraw/zinc/10/71/95/1435107195.db2.gz JFHQWUKCIFPLME-UHFFFAOYSA-N 0 0 377.416 3.052 20 30 GGEDRN CCC(C)(C)N(CCC#N)C(=O)c1ccc(OCC(=O)NC(C)C)c(OC)c1 ZINC000275002474 1435108930 /nfs/dbraw/zinc/10/89/30/1435108930.db2.gz UXFKBUWFQRBDSJ-UHFFFAOYSA-N 0 0 389.496 3.143 20 30 GGEDRN CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(OCC#N)cc2)[C@H]1Oc1ccccc1 ZINC000275006201 1435109075 /nfs/dbraw/zinc/10/90/75/1435109075.db2.gz ZVRNAOPGRSRHOC-PWRODBHTSA-N 0 0 395.459 3.013 20 30 GGEDRN CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(OCC#N)cc2)[C@@H]1Oc1ccccc1 ZINC000275006199 1435109162 /nfs/dbraw/zinc/10/91/62/1435109162.db2.gz ZVRNAOPGRSRHOC-NJYVYQBISA-N 0 0 395.459 3.013 20 30 GGEDRN COC(=O)CCCc1nc(CSc2nc(C(F)(F)F)ccc2C#N)no1 ZINC000275010056 1435109352 /nfs/dbraw/zinc/10/93/52/1435109352.db2.gz NAIXZSRRSRXKIZ-UHFFFAOYSA-N 0 0 386.355 3.143 20 30 GGEDRN Cc1cc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc(Cl)n1 ZINC000275011316 1435109596 /nfs/dbraw/zinc/10/95/96/1435109596.db2.gz NDLOEWVOUXQKCU-UHFFFAOYSA-N 0 0 382.851 3.406 20 30 GGEDRN CCO[C@@H]1C[C@@H](NC(=O)Nc2cccc(OCC#N)c2)[C@H]1Oc1ccccc1 ZINC000275016814 1435109919 /nfs/dbraw/zinc/10/99/19/1435109919.db2.gz CRAPKCMPLOTSNQ-VAMGGRTRSA-N 0 0 381.432 3.335 20 30 GGEDRN CCO[C@@H]1C[C@H](NC(=O)Nc2cccc(OCC#N)c2)[C@H]1Oc1ccccc1 ZINC000275016823 1435109967 /nfs/dbraw/zinc/10/99/67/1435109967.db2.gz CRAPKCMPLOTSNQ-XUVXKRRUSA-N 0 0 381.432 3.335 20 30 GGEDRN Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275063626 1435114001 /nfs/dbraw/zinc/11/40/01/1435114001.db2.gz WWSDTVLWIFCUCR-LLVKDONJSA-N 0 0 380.345 3.059 20 30 GGEDRN CCn1cc(-c2nn(C)cc2C(=O)Nc2ccc(OC(C)C)c(C#N)c2)cn1 ZINC000275072955 1435114561 /nfs/dbraw/zinc/11/45/61/1435114561.db2.gz VLZJIPHXMYOHBY-UHFFFAOYSA-N 0 0 378.436 3.215 20 30 GGEDRN C[C@H](NC(=O)N1CCC(Oc2cncc(Cl)n2)CC1)c1ccc(C#N)cc1 ZINC000275112186 1435116873 /nfs/dbraw/zinc/11/68/73/1435116873.db2.gz SGHRIVDCXAEYGA-ZDUSSCGKSA-N 0 0 385.855 3.316 20 30 GGEDRN C=CCc1cc(CN[C@H](C(=O)OC)c2ccc3c(c2)CCO3)cc(OC)c1O ZINC000275117259 1435117183 /nfs/dbraw/zinc/11/71/83/1435117183.db2.gz IEJIHVSJLXNRBE-FQEVSTJZSA-N 0 0 383.444 3.068 20 30 GGEDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000275139029 1435118682 /nfs/dbraw/zinc/11/86/82/1435118682.db2.gz UQJGIVAMUWCLNT-CQSZACIVSA-N 0 0 398.410 3.383 20 30 GGEDRN C[C@](O)(CCNC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccccc1 ZINC000275172202 1435120454 /nfs/dbraw/zinc/12/04/54/1435120454.db2.gz TUYRYKHLDBDJNT-NRFANRHFSA-N 0 0 397.500 3.045 20 30 GGEDRN N#CCOc1cccc(NC(=O)N2CCC(Oc3cncc(Cl)n3)CC2)c1 ZINC000275179633 1435120766 /nfs/dbraw/zinc/12/07/66/1435120766.db2.gz GXZRTNIQFKVKFL-UHFFFAOYSA-N 0 0 387.827 3.108 20 30 GGEDRN C#CCOc1ccccc1NC(=O)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000275187157 1435121302 /nfs/dbraw/zinc/12/13/02/1435121302.db2.gz FOGSECQWJDGRQT-UHFFFAOYSA-N 0 0 386.398 3.492 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000275197619 1435122121 /nfs/dbraw/zinc/12/21/21/1435122121.db2.gz LPBHHCRAGOHKNY-UHFFFAOYSA-N 0 0 387.386 3.361 20 30 GGEDRN Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cnn1C ZINC000275196916 1435122124 /nfs/dbraw/zinc/12/21/24/1435122124.db2.gz ANGGJVJTQUEPRX-VUCTXSBTSA-N 0 0 393.274 3.494 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC)C[C@H](O)C(F)(F)F)cc1 ZINC000275206151 1435122933 /nfs/dbraw/zinc/12/29/33/1435122933.db2.gz NYZRQTVJWWYNOQ-INIZCTEOSA-N 0 0 399.413 3.278 20 30 GGEDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000275206723 1435123085 /nfs/dbraw/zinc/12/30/85/1435123085.db2.gz JCBXSKPPGNCLMJ-QGZVFWFLSA-N 0 0 377.366 3.258 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)NCC[C@](C)(O)c1ccccc1 ZINC000275209867 1435123289 /nfs/dbraw/zinc/12/32/89/1435123289.db2.gz JNOZXILNSPJWCI-NRFANRHFSA-N 0 0 383.448 3.003 20 30 GGEDRN CC(C)c1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)CC2 ZINC000275210106 1435123300 /nfs/dbraw/zinc/12/33/00/1435123300.db2.gz ZOQNBMKCGRDGKO-HXUWFJFHSA-N 0 0 377.444 3.455 20 30 GGEDRN N#Cc1ccc(NC(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cc1 ZINC000275212969 1435123368 /nfs/dbraw/zinc/12/33/68/1435123368.db2.gz AVIOKSPADBFPSX-GOSISDBHSA-N 0 0 377.448 3.239 20 30 GGEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC(Cn2cncn2)CC1 ZINC000275217826 1435123633 /nfs/dbraw/zinc/12/36/33/1435123633.db2.gz KQLFTPJRXZMQFY-UHFFFAOYSA-N 0 0 386.459 3.017 20 30 GGEDRN Cn1cc([C@H]2OCCC[C@@H]2NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cn1 ZINC000275227519 1435124366 /nfs/dbraw/zinc/12/43/66/1435124366.db2.gz BDPLQIMUJRBXAC-JKSUJKDBSA-N 0 0 393.369 3.352 20 30 GGEDRN CN(C(=O)/C=C/c1ccc(OCC#N)cc1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000275237898 1435124988 /nfs/dbraw/zinc/12/49/88/1435124988.db2.gz JWFMNWAPNYYYLJ-UBIUBJKMSA-N 0 0 399.491 3.364 20 30 GGEDRN N#CCCCCNC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000275243171 1435125263 /nfs/dbraw/zinc/12/52/63/1435125263.db2.gz GKHAHYXGZYYJQH-HNNXBMFYSA-N 0 0 393.871 3.036 20 30 GGEDRN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000275305581 1435130055 /nfs/dbraw/zinc/13/00/55/1435130055.db2.gz NTNVZLUDSRONIR-HKUYNNGSSA-N 0 0 381.480 3.490 20 30 GGEDRN Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cnn1C ZINC000275306966 1435130240 /nfs/dbraw/zinc/13/02/40/1435130240.db2.gz BNNYIIWAFSVDOE-NUTKFTJISA-N 0 0 393.274 3.494 20 30 GGEDRN O=C(CCNC(=O)C1N=CC=CC1=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000275334110 1435132281 /nfs/dbraw/zinc/13/22/81/1435132281.db2.gz 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C#CC[C@H](NCc1nc2oc(C)c(C(=O)OCC)c2c(N)n1)c1ccccc1 ZINC000275466133 1435141186 /nfs/dbraw/zinc/14/11/86/1435141186.db2.gz NQIHHQXILLZUFV-HNNXBMFYSA-N 0 0 378.432 3.144 20 30 GGEDRN Cc1cc(NC(=O)Nc2cc(Cl)ccc2N2CCOCC2)nn1CCC#N ZINC000275468378 1435141397 /nfs/dbraw/zinc/14/13/97/1435141397.db2.gz WVFOFOUYXZDIOV-UHFFFAOYSA-N 0 0 388.859 3.239 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000275471163 1435141583 /nfs/dbraw/zinc/14/15/83/1435141583.db2.gz XZLPNROUZJPALG-RBUKOAKNSA-N 0 0 382.489 3.016 20 30 GGEDRN CN(CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC1(c2ccccc2)CC1 ZINC000275476505 1435142055 /nfs/dbraw/zinc/14/20/55/1435142055.db2.gz PXDOUAUDNWWALN-SFHVURJKSA-N 0 0 386.455 3.175 20 30 GGEDRN C[C@H]1C(=O)CC[C@@H](C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000275526250 1435145497 /nfs/dbraw/zinc/14/54/97/1435145497.db2.gz BDRPHKFDEYBYGJ-PXNSSMCTSA-N 0 0 381.520 3.234 20 30 GGEDRN CN(Cc1ncccn1)[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000275531256 1435145902 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381.480 3.035 20 30 GGEDRN N#Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccsc3Cl)CC2)cc1 ZINC000275662539 1435157508 /nfs/dbraw/zinc/15/75/08/1435157508.db2.gz VVWFMVMWMZMTFW-UHFFFAOYSA-N 0 0 389.864 3.282 20 30 GGEDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000275661291 1435157531 /nfs/dbraw/zinc/15/75/31/1435157531.db2.gz GBAYERAASVGSKE-UHFFFAOYSA-N 0 0 396.403 3.471 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CC)[C@@H](C)c1cccc(O)c1 ZINC000275670564 1435158375 /nfs/dbraw/zinc/15/83/75/1435158375.db2.gz JJJXZGRSWPXOMQ-AWEZNQCLSA-N 0 0 381.432 3.211 20 30 GGEDRN CCN(CCC#N)C(=O)C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1 ZINC000275681049 1435159184 /nfs/dbraw/zinc/15/91/84/1435159184.db2.gz JFLLVJUAXJOPII-UHFFFAOYSA-N 0 0 395.459 3.113 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c(Cl)c1 ZINC000275684280 1435159327 /nfs/dbraw/zinc/15/93/27/1435159327.db2.gz LJWXWQREYOURIQ-MRXNPFEDSA-N 0 0 399.834 3.347 20 30 GGEDRN COc1ccccc1COc1cccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)c1C ZINC000275685768 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/nfs/dbraw/zinc/16/63/02/1435166302.db2.gz PCSIBNZIHVKXIO-UHFFFAOYSA-N 0 0 387.465 3.155 20 30 GGEDRN N#CCOc1cccc(NC(=O)C(=O)N2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000275786199 1435169205 /nfs/dbraw/zinc/16/92/05/1435169205.db2.gz JFXOSSSAXPUBNZ-LJQANCHMSA-N 0 0 377.444 3.151 20 30 GGEDRN Cc1nnc(Sc2ccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)c(C)c2)s1 ZINC000275787860 1435169388 /nfs/dbraw/zinc/16/93/88/1435169388.db2.gz BFCYVSSWPUMHJU-LLVKDONJSA-N 0 0 389.506 3.005 20 30 GGEDRN COCCN1C(=O)CCc2cc(NC(=O)N(CCC#N)Cc3ccco3)ccc21 ZINC000275786916 1435169416 /nfs/dbraw/zinc/16/94/16/1435169416.db2.gz CRWCYADTMCOKFY-UHFFFAOYSA-N 0 0 396.447 3.153 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000275789087 1435169570 /nfs/dbraw/zinc/16/95/70/1435169570.db2.gz CUCIBLMUZTXALJ-UHFFFAOYSA-N 0 0 398.394 3.251 20 30 GGEDRN Cc1cc(NC(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)nn1CCC#N ZINC000275788340 1435169605 /nfs/dbraw/zinc/16/96/05/1435169605.db2.gz HBSMXCWVPMLFFF-IRXDYDNUSA-N 0 0 396.495 3.358 20 30 GGEDRN Cc1cc(NC(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)nn1CCC#N ZINC000275794643 1435170000 /nfs/dbraw/zinc/17/00/00/1435170000.db2.gz VWRXVBHPPYLKEY-INIZCTEOSA-N 0 0 382.468 3.142 20 30 GGEDRN CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000275795964 1435170147 /nfs/dbraw/zinc/17/01/47/1435170147.db2.gz GZSJNDBPVYJLDT-CABCVRRESA-N 0 0 375.494 3.047 20 30 GGEDRN CSCc1cccc(CNC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1 ZINC000275808739 1435171594 /nfs/dbraw/zinc/17/15/94/1435171594.db2.gz YGDPTFDXWMTMPI-UHFFFAOYSA-N 0 0 397.500 3.463 20 30 GGEDRN CC(C)OCCOCc1cccc(NC(=O)C(=O)Nc2ccc(C#N)cc2)c1 ZINC000275816380 1435172159 /nfs/dbraw/zinc/17/21/59/1435172159.db2.gz FFKRRHTVXVURCZ-UHFFFAOYSA-N 0 0 381.432 3.077 20 30 GGEDRN CCCN1C(=O)CCc2cc(NC(=O)Nc3cc(C)n(CCC#N)n3)ccc21 ZINC000275837506 1435173747 /nfs/dbraw/zinc/17/37/47/1435173747.db2.gz ZAVSZVROEFZTKL-UHFFFAOYSA-N 0 0 380.452 3.438 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000275851298 1435174652 /nfs/dbraw/zinc/17/46/52/1435174652.db2.gz ACRPNZQLYOWZAC-UHFFFAOYSA-N 0 0 383.473 3.481 20 30 GGEDRN CN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H]1CCSC1 ZINC000275853125 1435174837 /nfs/dbraw/zinc/17/48/37/1435174837.db2.gz LNIGBHUHCRTSAO-MRXNPFEDSA-N 0 0 381.457 3.253 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000275865794 1435175577 /nfs/dbraw/zinc/17/55/77/1435175577.db2.gz BWELUOLGLUFABX-UHFFFAOYSA-N 0 0 392.839 3.146 20 30 GGEDRN Cc1cc(N2CCC(NC(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)n[nH]1 ZINC000275863748 1435175603 /nfs/dbraw/zinc/17/56/03/1435175603.db2.gz MUHDFXUWWXLOTI-UHFFFAOYSA-N 0 0 382.468 3.168 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc(N(C)C(=O)OCC)cc1 ZINC000275865835 1435175689 /nfs/dbraw/zinc/17/56/89/1435175689.db2.gz BXPFCADITSYLAJ-UHFFFAOYSA-N 0 0 399.447 3.068 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N(CCCO)[C@@H]2CCc3ccccc32)c(Cl)c1 ZINC000275868050 1435175846 /nfs/dbraw/zinc/17/58/46/1435175846.db2.gz BMHHQHJGFZTEEQ-LJQANCHMSA-N 0 0 397.862 3.049 20 30 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CN(C(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2cccnc2C#N)cc1 ZINC000276991424 1435250325 /nfs/dbraw/zinc/25/03/25/1435250325.db2.gz IMLITZAGVHVUNI-UHFFFAOYSA-N 0 0 389.433 3.092 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)Cc2ccc(OCCOC)cc2)cc1C#N ZINC000277002683 1435251199 /nfs/dbraw/zinc/25/11/99/1435251199.db2.gz KDBQPACXGSESGD-UHFFFAOYSA-N 0 0 397.431 3.333 20 30 GGEDRN C=C(C)[C@@H](CC(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1)OCC ZINC000277023667 1435252955 /nfs/dbraw/zinc/25/29/55/1435252955.db2.gz WZATVXNIHQKZJS-DLBZAZTESA-N 0 0 377.485 3.389 20 30 GGEDRN C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCS1(=O)=O ZINC000277028211 1435253705 /nfs/dbraw/zinc/25/37/05/1435253705.db2.gz DZAUWRFGBAFLNB-OAHLLOKOSA-N 0 0 399.472 3.391 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)c2ccc(C(=O)N3CCC(C)CC3)cn2)c1 ZINC000277029110 1435253755 /nfs/dbraw/zinc/25/37/55/1435253755.db2.gz DOXVYPAGDZTOJY-UHFFFAOYSA-N 0 0 390.487 3.010 20 30 GGEDRN C=C(C)[C@@H](CC(=O)N(C)c1ccc(S(=O)(=O)N(C)C(C)C)cc1)OCC ZINC000277042689 1435255526 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391.471 3.014 20 30 GGEDRN Cc1cc(NC(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)nn1CCC#N ZINC000277135718 1435266709 /nfs/dbraw/zinc/26/67/09/1435266709.db2.gz UVUNGQKDUSBOTG-GHTZIAJQSA-N 0 0 399.470 3.140 20 30 GGEDRN N#Cc1ccc([C@@H](O)CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000277142052 1435267762 /nfs/dbraw/zinc/26/77/62/1435267762.db2.gz DWLCWSMVUYKJJT-MOPGFXCFSA-N 0 0 382.464 3.096 20 30 GGEDRN C=CCOc1ccc(C[NH2+]C[C@H](Cc2ccccc2OC)C(=O)[O-])cc1OC ZINC000277169525 1435272397 /nfs/dbraw/zinc/27/23/97/1435272397.db2.gz DQNYDAXYCVPPJW-SFHVURJKSA-N 0 0 385.460 3.302 20 30 GGEDRN C[C@@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC[S@@]1=O ZINC000277184983 1435275603 /nfs/dbraw/zinc/27/56/03/1435275603.db2.gz BEBYIPQARBBYNR-JWIGPWBQSA-N 0 0 382.485 3.120 20 30 GGEDRN CCc1c(NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)cnn1CCC(C)C ZINC000277257465 1435285421 /nfs/dbraw/zinc/28/54/21/1435285421.db2.gz QAOXRNZMAOMKIK-OAHLLOKOSA-N 0 0 381.480 3.179 20 30 GGEDRN N#Cc1ccc(CN2CCCN(C(=O)c3ncsc3C(F)(F)F)CC2)cc1 ZINC000277258258 1435285809 /nfs/dbraw/zinc/28/58/09/1435285809.db2.gz AGSBQFHJLZJVKL-UHFFFAOYSA-N 0 0 394.422 3.382 20 30 GGEDRN C=CCc1cc(C[NH2+]C[C@@H](Cc2ccccc2OC)C(=O)[O-])cc(OC)c1O ZINC000277267246 1435287084 /nfs/dbraw/zinc/28/70/84/1435287084.db2.gz LBTYEHXAVIUEAS-GOSISDBHSA-N 0 0 385.460 3.171 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ncsc2C(F)(F)F)CC1 ZINC000277277210 1435288327 /nfs/dbraw/zinc/28/83/27/1435288327.db2.gz BWWHZQNTHAOWQY-CYBMUJFWSA-N 0 0 380.395 3.185 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)[C@@H]3CC(=O)c4ccccc43)CC2)nc1 ZINC000277292640 1435290107 /nfs/dbraw/zinc/29/01/07/1435290107.db2.gz VJRONVZUBQALDK-LADRWXRNSA-N 0 0 375.428 3.130 20 30 GGEDRN C=CCC[C@@H](C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccccc1 ZINC000277307882 1435291999 /nfs/dbraw/zinc/29/19/99/1435291999.db2.gz UXYALGUQVGBTRV-LJQANCHMSA-N 0 0 392.565 3.445 20 30 GGEDRN C#CC[C@@]1(C(=O)NCc2cccc(NC(C)=O)c2)CCCN1C(=O)OC(C)(C)C ZINC000277307798 1435292150 /nfs/dbraw/zinc/29/21/50/1435292150.db2.gz DZEKVGOMUPBKJP-QFIPXVFZSA-N 0 0 399.491 3.054 20 30 GGEDRN N#Cc1c(F)ccc([C@H]2NC(=O)c3cc(N4CCOCC4)ccc3N2)c1Cl ZINC000277322050 1435293859 /nfs/dbraw/zinc/29/38/59/1435293859.db2.gz MHGNWBMDDCQEKK-GOSISDBHSA-N 0 0 386.814 3.041 20 30 GGEDRN N#Cc1c(F)ccc([C@@H]2NC(=O)c3cc(N4CCOCC4)ccc3N2)c1Cl ZINC000277322054 1435293887 /nfs/dbraw/zinc/29/38/87/1435293887.db2.gz MHGNWBMDDCQEKK-SFHVURJKSA-N 0 0 386.814 3.041 20 30 GGEDRN C=CCC[C@@H](NC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2)c1ccccc1 ZINC000277336435 1435295446 /nfs/dbraw/zinc/29/54/46/1435295446.db2.gz WUWXUHVVIWEEHN-YLJYHZDGSA-N 0 0 380.492 3.019 20 30 GGEDRN C=CCC[C@H](NC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2)c1ccccc1 ZINC000277336424 1435295494 /nfs/dbraw/zinc/29/54/94/1435295494.db2.gz WUWXUHVVIWEEHN-PXNSSMCTSA-N 0 0 380.492 3.019 20 30 GGEDRN CC(C)Oc1ccc(N(C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000277385434 1435300727 /nfs/dbraw/zinc/30/07/27/1435300727.db2.gz YLVDDBDEHORXDS-SFHVURJKSA-N 0 0 390.443 3.435 20 30 GGEDRN C=CC[C@H](C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccccc1 ZINC000277388727 1435300984 /nfs/dbraw/zinc/30/09/84/1435300984.db2.gz FSZPXTJSBWCAFE-SFHVURJKSA-N 0 0 378.538 3.055 20 30 GGEDRN C=CC[C@@H](C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccccc1 ZINC000277388714 1435301120 /nfs/dbraw/zinc/30/11/20/1435301120.db2.gz FSZPXTJSBWCAFE-GOSISDBHSA-N 0 0 378.538 3.055 20 30 GGEDRN CN(C)c1ccc(Cl)cc1NC(=O)C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000277406584 1435302338 /nfs/dbraw/zinc/30/23/38/1435302338.db2.gz BTDHJXSKMAWEFL-UHFFFAOYSA-N 0 0 382.851 3.022 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000277408210 1435302665 /nfs/dbraw/zinc/30/26/65/1435302665.db2.gz HNBWXDPVMYDTJQ-KGLIPLIRSA-N 0 0 391.468 3.071 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)c1ccccc1CN1CCOCC1 ZINC000277417392 1435303243 /nfs/dbraw/zinc/30/32/43/1435303243.db2.gz GGDJCAZHPGDLIL-UHFFFAOYSA-N 0 0 389.459 3.012 20 30 GGEDRN C=C(C)[C@H](NC(=O)NC1CCN(c2cccnn2)CC1)c1ccc(F)c(F)c1 ZINC000277424550 1435303817 /nfs/dbraw/zinc/30/38/17/1435303817.db2.gz HMSVPXKARFJVFN-IBGZPJMESA-N 0 0 387.434 3.340 20 30 GGEDRN C#Cc1cccc(NC(=O)C(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)c1 ZINC000277459710 1435306159 /nfs/dbraw/zinc/30/61/59/1435306159.db2.gz GWKMSTVIRITMSN-INIZCTEOSA-N 0 0 376.460 3.327 20 30 GGEDRN N#Cc1cccc(C2(NC(=O)C(=O)Nc3ccc4nc(C5CC5)oc4c3)CC2)c1 ZINC000277464097 1435306341 /nfs/dbraw/zinc/30/63/41/1435306341.db2.gz HHDFWZRVDOYZDY-UHFFFAOYSA-N 0 0 386.411 3.321 20 30 GGEDRN COc1ccc(C(=O)CCC(=O)N2CCCC(C)(C)[C@@H]2C#N)c(OC)c1OC ZINC000277475765 1435306933 /nfs/dbraw/zinc/30/69/33/1435306933.db2.gz IEWNOXUHMLUFAK-KRWDZBQOSA-N 0 0 388.464 3.216 20 30 GGEDRN C[C@H]1COCC[C@@H]1NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000277484879 1435307649 /nfs/dbraw/zinc/30/76/49/1435307649.db2.gz MXHLVDYAEPKIHJ-LIRRHRJNSA-N 0 0 378.432 3.357 20 30 GGEDRN CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000277483785 1435307673 /nfs/dbraw/zinc/30/76/73/1435307673.db2.gz IXKBADSFQJFXFP-OAHLLOKOSA-N 0 0 377.444 3.480 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)C[C@H]3OC(=O)c4ccccc43)CC2)c(Cl)c1 ZINC000277488452 1435307866 /nfs/dbraw/zinc/30/78/66/1435307866.db2.gz CKEKHMMSSHUTNG-LJQANCHMSA-N 0 0 395.846 3.162 20 30 GGEDRN N#Cc1cccc(C2(NC(=O)C(=O)Nc3ccc(OC4CCCC4)nc3)CC2)c1 ZINC000277515058 1435309795 /nfs/dbraw/zinc/30/97/95/1435309795.db2.gz LERHWMXNBQFIDF-UHFFFAOYSA-N 0 0 390.443 3.019 20 30 GGEDRN Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000277518990 1435309919 /nfs/dbraw/zinc/30/99/19/1435309919.db2.gz LOPWDAPJOQLFSW-KRWDZBQOSA-N 0 0 379.464 3.026 20 30 GGEDRN CC(=O)Nc1cccc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1C ZINC000277532266 1435310866 /nfs/dbraw/zinc/31/08/66/1435310866.db2.gz HLXLTCPQAFWBES-UHFFFAOYSA-N 0 0 396.878 3.441 20 30 GGEDRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)ccc1C#N ZINC000277544015 1435311597 /nfs/dbraw/zinc/31/15/97/1435311597.db2.gz HCTXIXQOTDVYIG-UHFFFAOYSA-N 0 0 383.473 3.212 20 30 GGEDRN CCc1c(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)cnn1CCC(C)C ZINC000277587564 1435314829 /nfs/dbraw/zinc/31/48/29/1435314829.db2.gz SCGYSQGETMHSRU-UHFFFAOYSA-N 0 0 393.491 3.107 20 30 GGEDRN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ncccc1OCCCC#N ZINC000277596046 1435315230 /nfs/dbraw/zinc/31/52/30/1435315230.db2.gz NZWVLYCDONEPJC-KBPBESRZSA-N 0 0 376.457 3.252 20 30 GGEDRN CCCOc1cc(C)ccc1NC(=O)C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000277599640 1435315503 /nfs/dbraw/zinc/31/55/03/1435315503.db2.gz TZTUWMAPNRSIHX-UHFFFAOYSA-N 0 0 377.444 3.400 20 30 GGEDRN N#CCOc1cccc(CC(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c1 ZINC000277604704 1435315846 /nfs/dbraw/zinc/31/58/46/1435315846.db2.gz QGNSIVHZELMJGX-GMAHTHKFSA-N 0 0 396.462 3.161 20 30 GGEDRN Cc1cc(N2CCC[C@H](NC(=O)Nc3ccc(C(C)(C)C#N)cc3)C2)n(C)n1 ZINC000277625113 1435317200 /nfs/dbraw/zinc/31/72/00/1435317200.db2.gz CQCRLRLUTVAYRL-SFHVURJKSA-N 0 0 380.496 3.320 20 30 GGEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[S@@](=O)C[C@H](C)C2)cc1 ZINC000277626136 1435317377 /nfs/dbraw/zinc/31/73/77/1435317377.db2.gz RDKMZHMZBKKWSO-YVORESIASA-N 0 0 382.485 3.500 20 30 GGEDRN N#Cc1ccsc1N1CC[C@H](N2CCC(CO)(Cc3ccccc3)CC2)C1=O ZINC000277630414 1435317607 /nfs/dbraw/zinc/31/76/07/1435317607.db2.gz BFICIVARPJXAQE-IBGZPJMESA-N 0 0 395.528 3.042 20 30 GGEDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000277640988 1435318430 /nfs/dbraw/zinc/31/84/30/1435318430.db2.gz TYLKVYXWGDDUNC-UHFFFAOYSA-N 0 0 381.388 3.159 20 30 GGEDRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)COc1ccc(C#N)c(OC)c1 ZINC000277656980 1435319793 /nfs/dbraw/zinc/31/97/93/1435319793.db2.gz RKUGJBQUWAWXPA-UHFFFAOYSA-N 0 0 384.432 3.012 20 30 GGEDRN N#Cc1cccc(C2(NC(=O)C(=O)Nc3ccc(F)cc3OCC3CC3)CC2)c1 ZINC000277659700 1435319991 /nfs/dbraw/zinc/31/99/91/1435319991.db2.gz ZVEPFHACRHCSGC-UHFFFAOYSA-N 0 0 393.418 3.230 20 30 GGEDRN CCN(C(=O)C[C@@H](CNC(=O)OC(C)(C)C)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000277661855 1435320086 /nfs/dbraw/zinc/32/00/86/1435320086.db2.gz GYVHESZHLYRFKV-QAPCUYQASA-N 0 0 389.496 3.398 20 30 GGEDRN CS(=O)(=O)[C@@H]1CCCCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000277677514 1435321154 /nfs/dbraw/zinc/32/11/54/1435321154.db2.gz CNPPSCHGLVSUKP-CQSZACIVSA-N 0 0 395.431 3.111 20 30 GGEDRN CC(C)(C#N)CCCCOc1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000277697039 1435322740 /nfs/dbraw/zinc/32/27/40/1435322740.db2.gz MELBTIZAQJVLFZ-UHFFFAOYSA-N 0 0 385.398 3.005 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@](C(=O)OCC)(C(C)C)C2)cc1 ZINC000277698962 1435322911 /nfs/dbraw/zinc/32/29/11/1435322911.db2.gz HLHXEPMAXMUHKV-NRFANRHFSA-N 0 0 387.480 3.046 20 30 GGEDRN COc1ccc(-c2nnc(SCCCCC(C)(C)C#N)n2N)cc1OC ZINC000277710174 1435323696 /nfs/dbraw/zinc/32/36/96/1435323696.db2.gz NJCHUMXMRVARGV-UHFFFAOYSA-N 0 0 375.498 3.488 20 30 GGEDRN Cc1cc(S(=O)(=O)Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)ccc1C#N ZINC000277710658 1435323753 /nfs/dbraw/zinc/32/37/53/1435323753.db2.gz WNHVUGVQNYSCLC-GOSISDBHSA-N 0 0 382.445 3.395 20 30 GGEDRN COc1cc(-c2nnc(CN3CCCC(C)(C)[C@@H]3C#N)o2)cc(OC)c1OC ZINC000277731123 1435325197 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3.437 20 30 GGEDRN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279126978 1435462796 /nfs/dbraw/zinc/46/27/96/1435462796.db2.gz WREVGSQKTXAAAP-ZDUSSCGKSA-N 0 0 384.436 3.198 20 30 GGEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCSCC[C@@H]2C)c1C#N ZINC000279153530 1435465655 /nfs/dbraw/zinc/46/56/55/1435465655.db2.gz AQTVPKOBTKISAL-AWEZNQCLSA-N 0 0 386.521 3.384 20 30 GGEDRN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N(CC#N)C3CCCC3)n[nH]2)C1 ZINC000279162109 1435466281 /nfs/dbraw/zinc/46/62/81/1435466281.db2.gz KIRFGQFUATWVKU-AWEZNQCLSA-N 0 0 387.484 3.042 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000279162416 1435466323 /nfs/dbraw/zinc/46/63/23/1435466323.db2.gz DXFXYMAXAGOKAJ-MRXNPFEDSA-N 0 0 393.491 3.158 20 30 GGEDRN N#CC1(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)CCOCC1 ZINC000279175043 1435467686 /nfs/dbraw/zinc/46/76/86/1435467686.db2.gz HQRWVFYLTDPCJI-UHFFFAOYSA-N 0 0 390.483 3.484 20 30 GGEDRN Cc1ccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)cc1OC(C)C ZINC000279185818 1435468693 /nfs/dbraw/zinc/46/86/93/1435468693.db2.gz GACHWOFKCSNVLY-UHFFFAOYSA-N 0 0 377.444 3.398 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)n1 ZINC000279197191 1435470196 /nfs/dbraw/zinc/47/01/96/1435470196.db2.gz ISSXPRIDDZITDH-AWEZNQCLSA-N 0 0 376.407 3.410 20 30 GGEDRN CC1(C)Cc2nc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)sc2C(=O)C1 ZINC000279211724 1435472187 /nfs/dbraw/zinc/47/21/87/1435472187.db2.gz BWTDTWOIVAWRJI-AWEZNQCLSA-N 0 0 378.457 3.491 20 30 GGEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C)c1ccccc1 ZINC000279216741 1435472447 /nfs/dbraw/zinc/47/24/47/1435472447.db2.gz MVOWLFZMBJGBCL-AEFFLSMTSA-N 0 0 382.464 3.034 20 30 GGEDRN Cc1ccc([C@H]2C[C@H](C)N(C(=O)C(=O)Nc3cccc(OCC#N)c3)C2)cc1 ZINC000279217715 1435472739 /nfs/dbraw/zinc/47/27/39/1435472739.db2.gz OTORNJIYAYSMGQ-WMZOPIPTSA-N 0 0 377.444 3.241 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000279224266 1435473778 /nfs/dbraw/zinc/47/37/78/1435473778.db2.gz NRKPRIWHQKJOPA-MRXNPFEDSA-N 0 0 382.439 3.208 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2c(C)nn(-c3ccccc3)c2Cl)n1 ZINC000279231615 1435474506 /nfs/dbraw/zinc/47/45/06/1435474506.db2.gz YZMAIOZDVABTLK-UHFFFAOYSA-N 0 0 381.867 3.326 20 30 GGEDRN CC(C)COC(=O)N1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000279236189 1435475108 /nfs/dbraw/zinc/47/51/08/1435475108.db2.gz NNEJIVAOAUHJPF-UHFFFAOYSA-N 0 0 396.447 3.154 20 30 GGEDRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000279241786 1435475991 /nfs/dbraw/zinc/47/59/91/1435475991.db2.gz GATJBTNCQIUFAY-IIBYNOLFSA-N 0 0 388.471 3.085 20 30 GGEDRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000279241784 1435476011 /nfs/dbraw/zinc/47/60/11/1435476011.db2.gz GATJBTNCQIUFAY-IERDGZPVSA-N 0 0 388.471 3.085 20 30 GGEDRN N#Cc1cccc(-c2cc(C(=O)N(Cc3ccncc3)C[C@@H]3CCCO3)on2)c1 ZINC000279251128 1435477294 /nfs/dbraw/zinc/47/72/94/1435477294.db2.gz PKQQWCLQERZHLM-IBGZPJMESA-N 0 0 388.427 3.430 20 30 GGEDRN C[C@@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1cccc(N2CCOC2=O)c1 ZINC000279263685 1435479020 /nfs/dbraw/zinc/47/90/20/1435479020.db2.gz IKVBEBQLEFQMDL-BEFAXECRSA-N 0 0 388.427 3.075 20 30 GGEDRN C[C@@H]1OCC[C@]12CN(C(=O)c1cccc(COc3cccc(C#N)c3)c1)CCO2 ZINC000279307839 1435484675 /nfs/dbraw/zinc/48/46/75/1435484675.db2.gz CHBUUCMTLUORRN-SBUREZEXSA-N 0 0 392.455 3.157 20 30 GGEDRN C[C@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC2(CCOCC2)O1 ZINC000279314001 1435485507 /nfs/dbraw/zinc/48/55/07/1435485507.db2.gz BYSLAGGWBDMGDF-ZDUSSCGKSA-N 0 0 389.402 3.482 20 30 GGEDRN C[C@@H]1OCC[C@]12CN(C(=O)c1cccc(COc3ccccc3C#N)c1)CCO2 ZINC000279318859 1435485779 /nfs/dbraw/zinc/48/57/79/1435485779.db2.gz DCSGVZIWWUSCCD-SBUREZEXSA-N 0 0 392.455 3.157 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)NCc2ccc(OCCC)c(OC)c2)n1 ZINC000279316892 1435485953 /nfs/dbraw/zinc/48/59/53/1435485953.db2.gz XTNSFKAQNJTQHM-UHFFFAOYSA-N 0 0 384.480 3.045 20 30 GGEDRN COC(=O)c1nc([C@H]2CCCN2C(=O)Cc2ccc(OCC#N)cc2)sc1C ZINC000279331034 1435487202 /nfs/dbraw/zinc/48/72/02/1435487202.db2.gz BUOIQCXIHJQAOH-MRXNPFEDSA-N 0 0 399.472 3.047 20 30 GGEDRN N#CCCn1cc(CN2CCN(c3ccccc3C#N)CC2)c(-c2ccncc2)n1 ZINC000279345668 1435489107 /nfs/dbraw/zinc/48/91/07/1435489107.db2.gz FKEBAJBWFCNGRO-UHFFFAOYSA-N 0 0 397.486 3.053 20 30 GGEDRN N#Cc1ccc(C[C@H](C#N)C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC000279350093 1435489732 /nfs/dbraw/zinc/48/97/32/1435489732.db2.gz QJOFPHJTGKPLHK-LJQANCHMSA-N 0 0 395.466 3.231 20 30 GGEDRN CCc1cccc(/N=C2\SC(CC(=O)NC)C(=O)N2C[C@H]2CCSC2)c1 ZINC000279366170 1435491442 /nfs/dbraw/zinc/49/14/42/1435491442.db2.gz GNFAEHLFHLAWFA-KPGMTAFASA-N 0 0 391.562 3.070 20 30 GGEDRN N#Cc1ccc(C[C@H](C#N)C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000279373309 1435492278 /nfs/dbraw/zinc/49/22/78/1435492278.db2.gz SBEILMJATPBDHO-LJQANCHMSA-N 0 0 391.446 3.244 20 30 GGEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000279373297 1435492281 /nfs/dbraw/zinc/49/22/81/1435492281.db2.gz SBEILMJATPBDHO-IBGZPJMESA-N 0 0 391.446 3.244 20 30 GGEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000279372124 1435492296 /nfs/dbraw/zinc/49/22/96/1435492296.db2.gz RYGVAMJMADKLKH-RXVVDRJESA-N 0 0 375.428 3.437 20 30 GGEDRN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000279372120 1435492340 /nfs/dbraw/zinc/49/23/40/1435492340.db2.gz RYGVAMJMADKLKH-NQIIRXRSSA-N 0 0 375.428 3.437 20 30 GGEDRN COC(=O)c1cc(CN(C)Cc2cn(CCC#N)nc2-c2ccncc2)oc1C ZINC000279374932 1435492573 /nfs/dbraw/zinc/49/25/73/1435492573.db2.gz JLOOEBKCDIYPTD-UHFFFAOYSA-N 0 0 393.447 3.179 20 30 GGEDRN C[C@H]1OCC[C@@]12CN(C(=O)c1ccc(OCc3ccccc3C#N)cc1)CCO2 ZINC000279373478 1435492586 /nfs/dbraw/zinc/49/25/86/1435492586.db2.gz HRURHFIAIZBARJ-UZUQRXQVSA-N 0 0 392.455 3.157 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(OC)c(N2CCNC2=O)c1 ZINC000279382879 1435493213 /nfs/dbraw/zinc/49/32/13/1435493213.db2.gz IHRGCLNSWMKSTK-UHFFFAOYSA-N 0 0 379.460 3.443 20 30 GGEDRN CCCCCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000279385673 1435493431 /nfs/dbraw/zinc/49/34/31/1435493431.db2.gz AGDBQDKSMAMUKY-LEWJYISDSA-N 0 0 394.519 3.176 20 30 GGEDRN N#CCCn1cc(CN2CCO[C@@H](Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000279387609 1435493757 /nfs/dbraw/zinc/49/37/57/1435493757.db2.gz LAFHRNDCWFAXJZ-QFIPXVFZSA-N 0 0 387.487 3.302 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000279389245 1435494010 /nfs/dbraw/zinc/49/40/10/1435494010.db2.gz ZNWBQDHGDYAMFL-UHFFFAOYSA-N 0 0 393.443 3.428 20 30 GGEDRN C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1 ZINC000279394542 1435494787 /nfs/dbraw/zinc/49/47/87/1435494787.db2.gz WAASGFXBPOWAJN-FQEVSTJZSA-N 0 0 387.476 3.006 20 30 GGEDRN CN(C(=O)CC(C)(C)C#N)[C@H](CNC(=O)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000279400421 1435495274 /nfs/dbraw/zinc/49/52/74/1435495274.db2.gz JPVUIQXZRBXUDC-QGZVFWFLSA-N 0 0 386.471 3.321 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)C1(C)C ZINC000279402795 1435495538 /nfs/dbraw/zinc/49/55/38/1435495538.db2.gz LDUUJZZZUSVEOF-GFCCVEGCSA-N 0 0 384.402 3.243 20 30 GGEDRN N#CCCn1cc(CN2CCN(c3ccc(F)cc3)CC2)c(-c2ccncc2)n1 ZINC000279407657 1435496081 /nfs/dbraw/zinc/49/60/81/1435496081.db2.gz NFYCRNWXXGUPDI-UHFFFAOYSA-N 0 0 390.466 3.320 20 30 GGEDRN Cc1nc2cc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)ccc2o1 ZINC000279416937 1435497052 /nfs/dbraw/zinc/49/70/52/1435497052.db2.gz WOJUMDJQMFOFOR-UHFFFAOYSA-N 0 0 388.427 3.499 20 30 GGEDRN C=C(C)CN(CC)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1-c1nc(C)no1 ZINC000279425749 1435497797 /nfs/dbraw/zinc/49/77/97/1435497797.db2.gz PREUVQLKXBWMHR-UHFFFAOYSA-N 0 0 396.369 3.427 20 30 GGEDRN Cc1nc2c(cccc2C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o1 ZINC000279426098 1435498188 /nfs/dbraw/zinc/49/81/88/1435498188.db2.gz XKSHOQMSKHYZRO-UHFFFAOYSA-N 0 0 388.427 3.499 20 30 GGEDRN C[C@@H]1OCC[C@@]12CN(C(=O)c1cccc(OCc3ccccc3C#N)c1)CCO2 ZINC000279437878 1435499520 /nfs/dbraw/zinc/49/95/20/1435499520.db2.gz LTYDFCVKQLNPMR-GAJHUEQPSA-N 0 0 392.455 3.157 20 30 GGEDRN CCOCCOCc1cccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000279436998 1435499550 /nfs/dbraw/zinc/49/95/50/1435499550.db2.gz YHBGCDAQJWWMGP-FQEVSTJZSA-N 0 0 377.444 3.432 20 30 GGEDRN C[C@@]1(O)CCCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000279453996 1435501157 /nfs/dbraw/zinc/50/11/57/1435501157.db2.gz CPPATYMTQLQCSU-JOCHJYFZSA-N 0 0 393.443 3.053 20 30 GGEDRN CC(C)n1nc(-c2ccco2)cc1NC(=O)C(=O)N(CCC#N)Cc1ccco1 ZINC000279459691 1435501647 /nfs/dbraw/zinc/50/16/47/1435501647.db2.gz UHHWMAQBKBZSNF-UHFFFAOYSA-N 0 0 395.419 3.198 20 30 GGEDRN CSc1ccccc1CN(C)C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000279460367 1435501939 /nfs/dbraw/zinc/50/19/39/1435501939.db2.gz CYMAHMDCYSRYRM-CQSZACIVSA-N 0 0 383.473 3.296 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccnc1OCC(F)F ZINC000279462758 1435502140 /nfs/dbraw/zinc/50/21/40/1435502140.db2.gz DDBAOWLYPOVHDT-UHFFFAOYSA-N 0 0 389.402 3.269 20 30 GGEDRN CCC[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[C@H](O)c1ccccc1 ZINC000279465464 1435502393 /nfs/dbraw/zinc/50/23/93/1435502393.db2.gz DJICCOQWJUCJBM-SJLPKXTDSA-N 0 0 385.851 3.169 20 30 GGEDRN CO[C@]1(C)CCCN(C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000279469662 1435502810 /nfs/dbraw/zinc/50/28/10/1435502810.db2.gz DPZNVLJUSZEKRI-IFXJQAMLSA-N 0 0 375.494 3.047 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N2CC(=O)N(C3CC3)C2)cc1F ZINC000279471024 1435502867 /nfs/dbraw/zinc/50/28/67/1435502867.db2.gz GDJYEXHOAMPJMR-UHFFFAOYSA-N 0 0 380.379 3.286 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)N[C@@H](c2nccs2)c2ccccc2)n1 ZINC000279475415 1435503296 /nfs/dbraw/zinc/50/32/96/1435503296.db2.gz MHYPMCOIHPVINT-GOSISDBHSA-N 0 0 379.489 3.294 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N(CCc1ccc(F)cc1)C1CC1 ZINC000279475684 1435503381 /nfs/dbraw/zinc/50/33/81/1435503381.db2.gz STDLLRRNZBZRNV-UHFFFAOYSA-N 0 0 396.466 3.426 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279486762 1435504798 /nfs/dbraw/zinc/50/47/98/1435504798.db2.gz FSWWHMRIPWGQNC-CPUCHLNUSA-N 0 0 387.505 3.045 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000279517050 1435508755 /nfs/dbraw/zinc/50/87/55/1435508755.db2.gz HWIBUGJAKIRXAJ-UHFFFAOYSA-N 0 0 391.471 3.357 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000279545456 1435511785 /nfs/dbraw/zinc/51/17/85/1435511785.db2.gz JONYZACYRSIECD-YOEHRIQHSA-N 0 0 397.454 3.040 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000279545447 1435511838 /nfs/dbraw/zinc/51/18/38/1435511838.db2.gz JONYZACYRSIECD-RHSMWYFYSA-N 0 0 397.454 3.040 20 30 GGEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000279545104 1435511847 /nfs/dbraw/zinc/51/18/47/1435511847.db2.gz NPIWHHLOTFTQGX-OALUTQOASA-N 0 0 376.435 3.022 20 30 GGEDRN CC(C)(C#N)c1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000279556785 1435512663 /nfs/dbraw/zinc/51/26/63/1435512663.db2.gz BBEUKKDIRPAGAL-UHFFFAOYSA-N 0 0 381.451 3.393 20 30 GGEDRN C#CCC(C)(C)C(=O)NCCCCN(CC(F)(F)F)C(=O)C(C)(C)CC#C 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3.069 20 30 GGEDRN CSc1ccc([C@@H](C)NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 ZINC000282042606 1435832356 /nfs/dbraw/zinc/83/23/56/1435832356.db2.gz AJVPALSJBBVYQO-HUUCEWRRSA-N 0 0 396.520 3.051 20 30 GGEDRN CC(C)(C)OC(=O)NCc1nc(CO/N=C/c2ccccc2OC(F)F)no1 ZINC000282048313 1435832594 /nfs/dbraw/zinc/83/25/94/1435832594.db2.gz XRCQTKYBHWMKBX-ODCIPOBUSA-N 0 0 398.366 3.246 20 30 GGEDRN CO[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)[C@H](C)C1 ZINC000282048937 1435832614 /nfs/dbraw/zinc/83/26/14/1435832614.db2.gz AYYBNYJNACAWNN-RHSMWYFYSA-N 0 0 384.480 3.056 20 30 GGEDRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000282073315 1435833562 /nfs/dbraw/zinc/83/35/62/1435833562.db2.gz WYXICADBPROTEE-FQEVSTJZSA-N 0 0 392.459 3.140 20 30 GGEDRN N#Cc1cc(NC(=O)C2CCN(c3cnccn3)CC2)ccc1OC(F)(F)F ZINC000282076421 1435833726 /nfs/dbraw/zinc/83/37/26/1435833726.db2.gz LGQCVGFHCDHZTQ-UHFFFAOYSA-N 0 0 391.353 3.102 20 30 GGEDRN CO/N=C/c1ccc(C(=O)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1 ZINC000282080287 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ACCHZSGSNAQRID-KRWDZBQOSA-N 0 0 397.523 3.313 20 30 GGEDRN C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC000282124387 1435835622 /nfs/dbraw/zinc/83/56/22/1435835622.db2.gz AEGPRELYGBLTQF-MOPGFXCFSA-N 0 0 379.508 3.207 20 30 GGEDRN CO[C@H]1CCN(C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C)C1 ZINC000282130246 1435835773 /nfs/dbraw/zinc/83/57/73/1435835773.db2.gz UTZOLWWPFSGCJQ-BEFAXECRSA-N 0 0 393.443 3.315 20 30 GGEDRN C=CCn1c(C2CCC2)nnc1N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000282131840 1435835806 /nfs/dbraw/zinc/83/58/06/1435835806.db2.gz ASUCKBXUADPREV-UHFFFAOYSA-N 0 0 381.480 3.292 20 30 GGEDRN C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000282131953 1435835812 /nfs/dbraw/zinc/83/58/12/1435835812.db2.gz ATWWHNDTOITLAC-GOSISDBHSA-N 0 0 399.514 3.183 20 30 GGEDRN C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000282132030 1435835860 /nfs/dbraw/zinc/83/58/60/1435835860.db2.gz AUMZTLRYQVZTTH-MRXNPFEDSA-N 0 0 393.491 3.387 20 30 GGEDRN C=CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCC(=C)CC1 ZINC000282143931 1435836343 /nfs/dbraw/zinc/83/63/43/1435836343.db2.gz BRATWONHEVQRFS-UHFFFAOYSA-N 0 0 376.464 3.017 20 30 GGEDRN C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000282147897 1435836453 /nfs/dbraw/zinc/83/64/53/1435836453.db2.gz BYGGDXLGXNKQOC-YQQAZPJKSA-N 0 0 392.525 3.216 20 30 GGEDRN C=CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(OC)cc1 ZINC000282153417 1435836618 /nfs/dbraw/zinc/83/66/18/1435836618.db2.gz CGSFYMPHXAQSOA-UHFFFAOYSA-N 0 0 397.504 3.101 20 30 GGEDRN C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccoc1C ZINC000282155588 1435836675 /nfs/dbraw/zinc/83/66/75/1435836675.db2.gz CMPSVXRNZIMBNZ-UHFFFAOYSA-N 0 0 386.477 3.072 20 30 GGEDRN C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCOC2(CCOCC2)C1 ZINC000282164956 1435837008 /nfs/dbraw/zinc/83/70/08/1435837008.db2.gz DFPPHTKKOLILCI-UHFFFAOYSA-N 0 0 391.475 3.065 20 30 GGEDRN C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(=O)OCC)CC1 ZINC000282168670 1435837113 /nfs/dbraw/zinc/83/71/13/1435837113.db2.gz DNKKBDHTXGMJED-UHFFFAOYSA-N 0 0 391.475 3.459 20 30 GGEDRN C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(OCCOC)CC1 ZINC000282176036 1435837401 /nfs/dbraw/zinc/83/74/01/1435837401.db2.gz FCNBMLTXTLRLPK-UHFFFAOYSA-N 0 0 393.491 3.311 20 30 GGEDRN C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(OC)nn1 ZINC000282176894 1435837488 /nfs/dbraw/zinc/83/74/88/1435837488.db2.gz IWKMDIULRZPTOW-UHFFFAOYSA-N 0 0 383.477 3.442 20 30 GGEDRN C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC000282177617 1435837512 /nfs/dbraw/zinc/83/75/12/1435837512.db2.gz FEDJAAIOAGXSSO-UHFFFAOYSA-N 0 0 389.381 3.351 20 30 GGEDRN CC(C)(C)n1ncnc1CNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000282181900 1435837551 /nfs/dbraw/zinc/83/75/51/1435837551.db2.gz ZMZZIFZBZYUOMQ-UHFFFAOYSA-N 0 0 389.459 3.414 20 30 GGEDRN C=CCn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](c2ccccc2OC)C1 ZINC000282181518 1435837573 /nfs/dbraw/zinc/83/75/73/1435837573.db2.gz FMYGDAFLOFMTOV-DLBZAZTESA-N 0 0 386.496 3.191 20 30 GGEDRN C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(C1)CCOCC2 ZINC000282185047 1435837686 /nfs/dbraw/zinc/83/76/86/1435837686.db2.gz FUIXSBJGANZCRB-UHFFFAOYSA-N 0 0 382.508 3.265 20 30 GGEDRN C=CCn1c([C@@H](C)OCCOC)nnc1N(C)CCCOCc1ccccc1 ZINC000282186962 1435837696 /nfs/dbraw/zinc/83/76/96/1435837696.db2.gz FZHGGJFVSAAVDD-GOSISDBHSA-N 0 0 388.512 3.231 20 30 GGEDRN CO[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)[C@H](C)C1 ZINC000282186402 1435837722 /nfs/dbraw/zinc/83/77/22/1435837722.db2.gz YBSKGEQGJMFSKX-RBSFLKMASA-N 0 0 375.494 3.045 20 30 GGEDRN CO[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)[C@H](C)C1 ZINC000282186399 1435837754 /nfs/dbraw/zinc/83/77/54/1435837754.db2.gz YBSKGEQGJMFSKX-QLFBSQMISA-N 0 0 375.494 3.045 20 30 GGEDRN C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC000282189040 1435837861 /nfs/dbraw/zinc/83/78/61/1435837861.db2.gz GCQMQRAOYUFPAE-IBGZPJMESA-N 0 0 399.539 3.132 20 30 GGEDRN CCSCCCNC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000282198523 1435838073 /nfs/dbraw/zinc/83/80/73/1435838073.db2.gz SABDRBJFKZHNNB-UHFFFAOYSA-N 0 0 397.500 3.335 20 30 GGEDRN C=CCn1c(-c2ccccn2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000282202086 1435838185 /nfs/dbraw/zinc/83/81/85/1435838185.db2.gz HCVXZGNIWWCSPF-HZPDHXFCSA-N 0 0 398.511 3.266 20 30 GGEDRN C=CCn1c(-c2ccccn2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000282202085 1435838206 /nfs/dbraw/zinc/83/82/06/1435838206.db2.gz HCVXZGNIWWCSPF-HOTGVXAUSA-N 0 0 398.511 3.266 20 30 GGEDRN C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000282200191 1435838222 /nfs/dbraw/zinc/83/82/22/1435838222.db2.gz GZCLHZSZGXOTSZ-BTYIYWSLSA-N 0 0 380.448 3.262 20 30 GGEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC2([S@](C)=O)CC2)cc1 ZINC000282203832 1435838343 /nfs/dbraw/zinc/83/83/43/1435838343.db2.gz LVSQAQIHYLFVEA-NDEPHWFRSA-N 0 0 399.472 3.392 20 30 GGEDRN C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccc(CC)cc2)CC1 ZINC000282209432 1435838523 /nfs/dbraw/zinc/83/85/23/1435838523.db2.gz HQRXATNIYMEYAX-GOSISDBHSA-N 0 0 399.539 3.077 20 30 GGEDRN C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC(Oc2ccccc2)CC1 ZINC000282213392 1435838690 /nfs/dbraw/zinc/83/86/90/1435838690.db2.gz IBIJWYUOXOCGBN-QGZVFWFLSA-N 0 0 386.496 3.236 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)c1ccccc1SC ZINC000282216811 1435838746 /nfs/dbraw/zinc/83/87/46/1435838746.db2.gz ZTUWXUGWRLVPPG-ZDUSSCGKSA-N 0 0 383.473 3.495 20 30 GGEDRN C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(CC(=O)NC)CC1 ZINC000282216670 1435838771 /nfs/dbraw/zinc/83/87/71/1435838771.db2.gz IFSFIBMLBHASEP-UHFFFAOYSA-N 0 0 379.464 3.230 20 30 GGEDRN C=CCn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)NCCC)CC1 ZINC000282220769 1435838867 /nfs/dbraw/zinc/83/88/67/1435838867.db2.gz IPLIPPILJXQJOR-UHFFFAOYSA-N 0 0 397.523 3.094 20 30 GGEDRN C=CCn1c(-c2ccccc2OC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000282220789 1435838887 /nfs/dbraw/zinc/83/88/87/1435838887.db2.gz IPSKBJFVGNBNJW-HNNXBMFYSA-N 0 0 399.495 3.243 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC000282224955 1435839115 /nfs/dbraw/zinc/83/91/15/1435839115.db2.gz IWFAIOMCYUHKDO-GFCCVEGCSA-N 0 0 377.851 3.015 20 30 GGEDRN C=CCn1c(C2CC2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000282226905 1435839263 /nfs/dbraw/zinc/83/92/63/1435839263.db2.gz JCOGUUVRYSZGFA-UHFFFAOYSA-N 0 0 383.471 3.013 20 30 GGEDRN C=CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000282228401 1435839310 /nfs/dbraw/zinc/83/93/10/1435839310.db2.gz JECZHCXWIYOLLQ-LJQANCHMSA-N 0 0 377.448 3.113 20 30 GGEDRN C=CCn1c(-c2cccnc2)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC000282232716 1435839395 /nfs/dbraw/zinc/83/93/95/1435839395.db2.gz JKWBALLLEOHKQW-UHFFFAOYSA-N 0 0 380.427 3.108 20 30 GGEDRN C=CCn1c(-c2ccccn2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 ZINC000282232951 1435839400 /nfs/dbraw/zinc/83/94/00/1435839400.db2.gz JONWMHRJJKUMRV-SJORKVTESA-N 0 0 382.512 3.047 20 30 GGEDRN C=CCn1c(Cc2ccccn2)nnc1N1CC[C@H](c2ccccc2OC)C1 ZINC000282236877 1435839648 /nfs/dbraw/zinc/83/96/48/1435839648.db2.gz JUFRRJLQXZTYRY-KRWDZBQOSA-N 0 0 375.476 3.452 20 30 GGEDRN C=CCn1c(C2CCC2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000282252092 1435840213 /nfs/dbraw/zinc/84/02/13/1435840213.db2.gz KVCJSIGNIZWNPK-UHFFFAOYSA-N 0 0 397.498 3.404 20 30 GGEDRN C=CCn1c(CC(C)C)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000282256593 1435840375 /nfs/dbraw/zinc/84/03/75/1435840375.db2.gz LGAAQXKWODZFNB-UHFFFAOYSA-N 0 0 382.512 3.453 20 30 GGEDRN Cc1csc(NC(=O)CS[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000282268959 1435840902 /nfs/dbraw/zinc/84/09/02/1435840902.db2.gz UYBRXKRUSUNCCF-HNNXBMFYSA-N 0 0 386.502 3.191 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000282267714 1435840942 /nfs/dbraw/zinc/84/09/42/1435840942.db2.gz PQTQKDUXOPSJQQ-APWZRJJASA-N 0 0 389.858 3.435 20 30 GGEDRN C=CCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2csc(C)n2)CC1 ZINC000282274251 1435841229 /nfs/dbraw/zinc/84/12/29/1435841229.db2.gz MKUQNGRSOANCNR-UHFFFAOYSA-N 0 0 384.509 3.120 20 30 GGEDRN C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC000282274255 1435841257 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20 30 GGEDRN CC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)C1 ZINC000283252804 1435881556 /nfs/dbraw/zinc/88/15/56/1435881556.db2.gz DQHBHKCASZVKOK-MJGOQNOKSA-N 0 0 395.507 3.392 20 30 GGEDRN C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC000283258197 1435881797 /nfs/dbraw/zinc/88/17/97/1435881797.db2.gz MDECBGLNQCQDMC-CALCHBBNSA-N 0 0 386.521 3.017 20 30 GGEDRN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2ccccc2C)C1 ZINC000283261544 1435881850 /nfs/dbraw/zinc/88/18/50/1435881850.db2.gz MHEMEWKSPMMSBI-SFHVURJKSA-N 0 0 379.508 3.393 20 30 GGEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2ccccn2)CC1 ZINC000283268129 1435882123 /nfs/dbraw/zinc/88/21/23/1435882123.db2.gz MRNPFTRMBCICMD-UHFFFAOYSA-N 0 0 390.491 3.251 20 30 GGEDRN C=C(C)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000283274142 1435882331 /nfs/dbraw/zinc/88/23/31/1435882331.db2.gz NDUIOFKQDGGTLQ-UHFFFAOYSA-N 0 0 390.491 3.175 20 30 GGEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC2(CCC2)C1 ZINC000283288640 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377.496 3.336 20 30 GGEDRN COc1cc(N2CCN(C(=O)Nc3ccccc3O[C@H](C)C#N)CC2)ccc1F ZINC000283321128 1435884258 /nfs/dbraw/zinc/88/42/58/1435884258.db2.gz XEVXSAADSDBNMW-OAHLLOKOSA-N 0 0 398.438 3.479 20 30 GGEDRN CN(Cc1ccco1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO1 ZINC000283329774 1435884624 /nfs/dbraw/zinc/88/46/24/1435884624.db2.gz IRDDIWKJVGCYGU-IBGZPJMESA-N 0 0 393.447 3.137 20 30 GGEDRN C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC000283335645 1435884818 /nfs/dbraw/zinc/88/48/18/1435884818.db2.gz RCXGZJPLXKHOGS-UHFFFAOYSA-N 0 0 398.404 3.478 20 30 GGEDRN C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC000283347811 1435885381 /nfs/dbraw/zinc/88/53/81/1435885381.db2.gz RWIKIHPAAOBQOJ-UHFFFAOYSA-N 0 0 397.523 3.224 20 30 GGEDRN C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H]2CCC[C@H]2C1 ZINC000283347759 1435885440 /nfs/dbraw/zinc/88/54/40/1435885440.db2.gz RVLTVDDZNPLCEC-HOTGVXAUSA-N 0 0 390.491 3.004 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Cn2ccnn2)CC1 ZINC000283352074 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394.523 3.169 20 30 GGEDRN C=C(C)Cn1c(-c2ccccc2C)nnc1N(C)Cc1ncnn1CC(F)F ZINC000283374155 1435886771 /nfs/dbraw/zinc/88/67/71/1435886771.db2.gz URMFXJXVHLGTIN-UHFFFAOYSA-N 0 0 387.438 3.323 20 30 GGEDRN C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)C(=O)N(C)CCC#N ZINC000283375899 1435886777 /nfs/dbraw/zinc/88/67/77/1435886777.db2.gz UVCGNOBVMUDHTA-LLVKDONJSA-N 0 0 394.262 3.110 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC000283384640 1435887133 /nfs/dbraw/zinc/88/71/33/1435887133.db2.gz VJKMBCTTZOEDSL-UHFFFAOYSA-N 0 0 389.463 3.016 20 30 GGEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(c2ccnn2CC)CC1 ZINC000283381825 1435887139 /nfs/dbraw/zinc/88/71/39/1435887139.db2.gz VELDUTTZVMUZEB-UHFFFAOYSA-N 0 0 391.523 3.440 20 30 GGEDRN C=CCn1c(-c2cccnc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000283387812 1435887304 /nfs/dbraw/zinc/88/73/04/1435887304.db2.gz DMRAZADNVMUSMQ-UHFFFAOYSA-N 0 0 386.459 3.446 20 30 GGEDRN CC(C)(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CCO1 ZINC000283389301 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393.491 3.144 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)Nc3ccc(OC(F)F)cc3F)CC2)nc1 ZINC000283430935 1435889406 /nfs/dbraw/zinc/88/94/06/1435889406.db2.gz JGTHFAGEUQZRKD-UHFFFAOYSA-N 0 0 391.353 3.048 20 30 GGEDRN C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000283431896 1435889485 /nfs/dbraw/zinc/88/94/85/1435889485.db2.gz HIHBPBJJEZHOEE-LJQANCHMSA-N 0 0 396.470 3.043 20 30 GGEDRN C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000283437829 1435889759 /nfs/dbraw/zinc/88/97/59/1435889759.db2.gz NQBDUMXMGVEFPX-RVKKMQEKSA-N 0 0 387.459 3.332 20 30 GGEDRN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000283437690 1435889779 /nfs/dbraw/zinc/88/97/79/1435889779.db2.gz YRKFHZDFHCFRTB-LJQANCHMSA-N 0 0 379.464 3.436 20 30 GGEDRN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000283444416 1435890230 /nfs/dbraw/zinc/89/02/30/1435890230.db2.gz ZAVAJODAMSKRPQ-ZDUSSCGKSA-N 0 0 387.450 3.263 20 30 GGEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@H](CC)C1 ZINC000283450180 1435890407 /nfs/dbraw/zinc/89/04/07/1435890407.db2.gz ZMBLJHAZGRFIQZ-CQSZACIVSA-N 0 0 391.566 3.178 20 30 GGEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC000283462367 1435890949 /nfs/dbraw/zinc/89/09/49/1435890949.db2.gz ANDPRVHHZBZIFD-UHFFFAOYSA-N 0 0 379.386 3.264 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C ZINC000283460354 1435890996 /nfs/dbraw/zinc/89/09/96/1435890996.db2.gz AHWUEHWCRHLSEN-OXQOHEQNSA-N 0 0 397.450 3.232 20 30 GGEDRN CCc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCOC1 ZINC000283461066 1435891014 /nfs/dbraw/zinc/89/10/14/1435891014.db2.gz RRLBDLMGXKEWAC-IAGOWNOFSA-N 0 0 383.496 3.052 20 30 GGEDRN C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC000283463555 1435891078 /nfs/dbraw/zinc/89/10/78/1435891078.db2.gz JGGNFPUMTSBPKK-MJGOQNOKSA-N 0 0 385.512 3.269 20 30 GGEDRN C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](Nc2ccccc2)C1 ZINC000283463553 1435891124 /nfs/dbraw/zinc/89/11/24/1435891124.db2.gz JGGNFPUMTSBPKK-IEBWSBKVSA-N 0 0 385.512 3.269 20 30 GGEDRN C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 ZINC000283474074 1435891435 /nfs/dbraw/zinc/89/14/35/1435891435.db2.gz BPMMQRRNVCTOPL-WMLDXEAASA-N 0 0 387.871 3.376 20 30 GGEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC000283475864 1435891556 /nfs/dbraw/zinc/89/15/56/1435891556.db2.gz BRBHUXIIWAMMJP-HUUCEWRRSA-N 0 0 388.443 3.133 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000283476302 1435891582 /nfs/dbraw/zinc/89/15/82/1435891582.db2.gz BSWFVBZGSBEDKI-QGZVFWFLSA-N 0 0 393.491 3.167 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC000283476301 1435891605 /nfs/dbraw/zinc/89/16/05/1435891605.db2.gz BSWFVBZGSBEDKI-KRWDZBQOSA-N 0 0 393.491 3.167 20 30 GGEDRN C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC(CNC(C)=O)CC1 ZINC000283484213 1435892042 /nfs/dbraw/zinc/89/20/42/1435892042.db2.gz CKEYRSNPPYDOEY-UHFFFAOYSA-N 0 0 395.551 3.382 20 30 GGEDRN C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000283486128 1435892159 /nfs/dbraw/zinc/89/21/59/1435892159.db2.gz CPYRQTSLHLUWDY-IBGZPJMESA-N 0 0 399.539 3.414 20 30 GGEDRN CCCCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 ZINC000283493121 1435892515 /nfs/dbraw/zinc/89/25/15/1435892515.db2.gz LNGWTLFYLQTYQS-UHFFFAOYSA-N 0 0 380.496 3.019 20 30 GGEDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C#N)ccc1OCC ZINC000283501613 1435892804 /nfs/dbraw/zinc/89/28/04/1435892804.db2.gz DOXUCCJRSSMCQW-UHFFFAOYSA-N 0 0 395.459 3.430 20 30 GGEDRN Cc1ccc(C2=NO[C@@H](CNC(=O)Cc3ccc(OCC#N)cc3)C2)cc1C ZINC000283504447 1435892919 /nfs/dbraw/zinc/89/29/19/1435892919.db2.gz KMUDYZSJILJOAH-HXUWFJFHSA-N 0 0 377.444 3.058 20 30 GGEDRN CC[C@@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CCO1 ZINC000283504201 1435892988 /nfs/dbraw/zinc/89/29/88/1435892988.db2.gz QXZKYMOCSVDJHK-RXVVDRJESA-N 0 0 381.480 3.001 20 30 GGEDRN CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC(C)(C)O1 ZINC000283508268 1435893199 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C=C(C)CN(CC)C(=O)C(=O)NCc1ccnc(Oc2ccc(OCC)cc2)c1 ZINC000283900822 1435948255 /nfs/dbraw/zinc/94/82/55/1435948255.db2.gz DNSYFYLIGXZYGZ-UHFFFAOYSA-N 0 0 397.475 3.313 20 30 GGEDRN C[C@@H](NC(=O)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1)c1ccc(C#N)cc1 ZINC000283900812 1435948272 /nfs/dbraw/zinc/94/82/72/1435948272.db2.gz HWVUPTJURLBADQ-IAGOWNOFSA-N 0 0 390.487 3.213 20 30 GGEDRN Cc1ccc(CNC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)c(OCC2CC2)c1 ZINC000283905822 1435950176 /nfs/dbraw/zinc/95/01/76/1435950176.db2.gz IFURUCCDAUNPBD-MRXNPFEDSA-N 0 0 391.471 3.149 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccccc1OC1CCCC1 ZINC000283904032 1435950358 /nfs/dbraw/zinc/95/03/58/1435950358.db2.gz DRBBADITKMWFBB-UHFFFAOYSA-N 0 0 391.471 3.154 20 30 GGEDRN CCCCCCCCNC(=O)C(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000283968045 1435964212 /nfs/dbraw/zinc/96/42/12/1435964212.db2.gz KGEUPEPYPITHPX-DXPJPUQTSA-N 0 0 380.554 3.420 20 30 GGEDRN C[C@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)c3cccc(CC#N)c3)c2)C1=O ZINC000283999122 1435970852 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3.076 20 30 GGEDRN C=C1CCC(C(=O)Nc2ccn(-c3ccc(-c4nn[nH]n4)cc3Cl)n2)CC1 ZINC001573296262 947044208 /nfs/dbraw/zinc/04/42/08/947044208.db2.gz MGAGXCCTFNRWGC-UHFFFAOYSA-N 0 0 383.843 3.391 20 30 GGEDRN C=CC(C)(C)CC(=O)Oc1c(Br)cc(-c2nn[nH]n2)cc1OC ZINC001573305131 947150640 /nfs/dbraw/zinc/15/06/40/947150640.db2.gz ANJAAARJLFZCAJ-UHFFFAOYSA-N 0 0 381.230 3.146 20 30 GGEDRN C=CC1CCN(c2nnc(-c3ccc(-c4nn[nH]n4)cc3)n2CC(=C)C)CC1 ZINC001573314332 947229207 /nfs/dbraw/zinc/22/92/07/947229207.db2.gz AWXSRDHRMJIUFB-UHFFFAOYSA-N 0 0 376.468 3.104 20 30 GGEDRN C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(C)c(-c2nn[nH]n2)c1 ZINC001573326396 947370652 /nfs/dbraw/zinc/37/06/52/947370652.db2.gz OPPZGYJBFIZRBX-SFHVURJKSA-N 0 0 376.464 3.162 20 30 GGEDRN C=CCC1(NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)CCCCC1 ZINC001573329411 947421102 /nfs/dbraw/zinc/42/11/02/947421102.db2.gz JIHWYHXFSQWPNC-UHFFFAOYSA-N 0 0 381.889 3.077 20 30 GGEDRN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nn[nH]n2)c1Br ZINC001573329560 947422608 /nfs/dbraw/zinc/42/26/08/947422608.db2.gz KYLGZNSYZFTHLI-RISCZKNCSA-N 0 0 390.285 3.494 20 30 GGEDRN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC001573329730 947425148 /nfs/dbraw/zinc/42/51/48/947425148.db2.gz NWGOLLAKLQAYKA-MAUKXSAKSA-N 0 0 391.479 3.226 20 30 GGEDRN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC001573329731 947425267 /nfs/dbraw/zinc/42/52/67/947425267.db2.gz NWGOLLAKLQAYKA-QAPCUYQASA-N 0 0 391.479 3.226 20 30 GGEDRN C=CC[C@@H]1CCN1C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)nc1 ZINC001573329829 947425590 /nfs/dbraw/zinc/42/55/90/947425590.db2.gz PRRWSKMYEUQQEX-OAHLLOKOSA-N 0 0 377.408 3.236 20 30 GGEDRN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC001573329732 947425624 /nfs/dbraw/zinc/42/56/24/947425624.db2.gz NWGOLLAKLQAYKA-YJBOKZPZSA-N 0 0 391.479 3.226 20 30 GGEDRN C=CCC1(CNC(=O)c2cccc(-c3nn[nH]n3)c2Br)CCCC1 ZINC001573329941 947428005 /nfs/dbraw/zinc/42/80/05/947428005.db2.gz RCWWVUZAAHRWPZ-UHFFFAOYSA-N 0 0 390.285 3.496 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H](C)OCc1cccc(C)c1 ZINC001573341106 947525856 /nfs/dbraw/zinc/52/58/56/947525856.db2.gz HDBDOAVLTSKVJE-KRWDZBQOSA-N 0 0 391.475 3.295 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2nn[nH]n2)c(OC)c1 ZINC001573341135 947527508 /nfs/dbraw/zinc/52/75/08/947527508.db2.gz ILINBKMUOFIMOG-UHFFFAOYSA-N 0 0 389.868 3.419 20 30 GGEDRN C=CCN(C(=O)Nc1cccc(Oc2ccc(-c3nn[nH]n3)cn2)c1)C1CC1 ZINC001573341459 947531561 /nfs/dbraw/zinc/53/15/61/947531561.db2.gz NBGAGJXGLOFJRK-UHFFFAOYSA-N 0 0 377.408 3.236 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001573341577 947534582 /nfs/dbraw/zinc/53/45/82/947534582.db2.gz NZTSGPMTGSIADV-UHFFFAOYSA-N 0 0 385.431 3.085 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H](C)CSC(F)(F)F ZINC001573341755 947537400 /nfs/dbraw/zinc/53/74/00/947537400.db2.gz PXJANDIHGYWQFH-NSHDSACASA-N 0 0 385.415 3.270 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(F)(F)c1ccccc1C#N ZINC001573342303 947538354 /nfs/dbraw/zinc/53/83/54/947538354.db2.gz WHAGGJFYBSCVNH-UHFFFAOYSA-N 0 0 394.385 3.045 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C1=Cc2cc(C)ccc2OC1 ZINC001573342131 947540068 /nfs/dbraw/zinc/54/00/68/947540068.db2.gz UJEUUGBMIDQUAR-UHFFFAOYSA-N 0 0 387.443 3.166 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC001573342423 947541985 /nfs/dbraw/zinc/54/19/85/947541985.db2.gz XWJVCUCBHPWTQA-LJQANCHMSA-N 0 0 392.438 3.391 20 30 GGEDRN C=CCn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N(C)[C@@H](C)CCSCC ZINC001573347398 947573972 /nfs/dbraw/zinc/57/39/72/947573972.db2.gz DFOZHVNADMQWNZ-AWEZNQCLSA-N 0 0 398.540 3.279 20 30 GGEDRN C=CCOc1cc(OC)ccc1C(=O)N(C)[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001573347413 947574355 /nfs/dbraw/zinc/57/43/55/947574355.db2.gz DJOWKIWSXASNPB-CQSZACIVSA-N 0 0 393.447 3.273 20 30 GGEDRN C=CCn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N(C)[C@H](C)CCSCC ZINC001573347399 947575002 /nfs/dbraw/zinc/57/50/02/947575002.db2.gz DFOZHVNADMQWNZ-CQSZACIVSA-N 0 0 398.540 3.279 20 30 GGEDRN C=CCOCCCNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cc2C)cc1 ZINC001573347605 947575302 /nfs/dbraw/zinc/57/53/02/947575302.db2.gz FBMNXJYMOWXPJO-UHFFFAOYSA-N 0 0 393.447 3.290 20 30 GGEDRN C=CC[S@@](=O)(=NC(=O)C1(c2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC001573347716 947577187 /nfs/dbraw/zinc/57/71/87/947577187.db2.gz GXNDGJFNPOELPZ-NDEPHWFRSA-N 0 0 393.472 3.138 20 30 GGEDRN C=CCc1cccc(F)c1OS(=O)(=O)c1cccc(-c2nn[nH]n2)c1Cl ZINC001573347933 947579429 /nfs/dbraw/zinc/57/94/29/947579429.db2.gz JQNUZBYLRLOWLI-UHFFFAOYSA-N 0 0 394.815 3.155 20 30 GGEDRN C=CCn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001573348028 947579749 /nfs/dbraw/zinc/57/97/49/947579749.db2.gz LMFYFDLZCFJPPX-QGZVFWFLSA-N 0 0 378.484 3.184 20 30 GGEDRN C=CCn1c(Sc2cc(C)c(-c3nn[nH]n3)cn2)nnc1-c1cccc(C)c1 ZINC001573348288 947581192 /nfs/dbraw/zinc/58/11/92/947581192.db2.gz OMGXTZFMFNRPAO-UHFFFAOYSA-N 0 0 390.476 3.474 20 30 GGEDRN Cc1c(Cl)cnc(N2CC=C(c3ccc(C#N)cc3)CC2)c1-c1nn[nH]n1 ZINC000826236945 947694562 /nfs/dbraw/zinc/69/45/62/947694562.db2.gz IMDNKYZEVGNSLQ-UHFFFAOYSA-N 0 0 377.839 3.389 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(-c3nn[nH]n3)cc2C)c1C ZINC000826249809 947726380 /nfs/dbraw/zinc/72/63/80/947726380.db2.gz VYOMJPWMBRQEGH-UHFFFAOYSA-N 0 0 398.430 3.102 20 30 GGEDRN Cc1cc(C#N)ccc1COC(=O)[C@H](Oc1ccccc1-c1nn[nH]n1)C(C)C ZINC000826257119 947741695 /nfs/dbraw/zinc/74/16/95/947741695.db2.gz OMEAAPKSGMRKBN-LJQANCHMSA-N 0 0 391.431 3.194 20 30 GGEDRN Cc1cc(C#N)ccc1COC(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000826256900 947741937 /nfs/dbraw/zinc/74/19/37/947741937.db2.gz FRXOMUYSSKEGEV-UHFFFAOYSA-N 0 0 379.445 3.023 20 30 GGEDRN Cc1nc(C(=O)Nc2ccc(C#N)c(-c3nn[nH]n3)c2)c(-c2ccccc2)s1 ZINC000826323441 947944893 /nfs/dbraw/zinc/94/48/93/947944893.db2.gz DQJQMCRMHQMGCY-UHFFFAOYSA-N 0 0 387.428 3.423 20 30 GGEDRN O=C(C=Cc1cnc(-c2ccccn2)s1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826403199 948226803 /nfs/dbraw/zinc/22/68/03/948226803.db2.gz MGJSFMRZESNRJB-FNORWQNLSA-N 0 0 378.392 3.420 20 30 GGEDRN CC[C@@]1(C(=O)[O-])CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC001589605990 949268022 /nfs/dbraw/zinc/26/80/22/949268022.db2.gz YJAKKKHOEHXVQZ-FOIQADDNSA-N 0 0 375.444 3.038 20 30 GGEDRN CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001602882649 971766850 /nfs/dbraw/zinc/76/68/50/971766850.db2.gz GSXGIXCQJPFMLH-IBGZPJMESA-N 0 0 386.492 3.072 20 30 GGEDRN CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001602882650 971766925 /nfs/dbraw/zinc/76/69/25/971766925.db2.gz GSXGIXCQJPFMLH-LJQANCHMSA-N 0 0 386.492 3.072 20 30 GGEDRN C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nn[nH]n2)c2ccccc2n1 ZINC001575190908 952465133 /nfs/dbraw/zinc/46/51/33/952465133.db2.gz UWUNYBWGKCAPFZ-ZDUSSCGKSA-N 0 0 383.415 3.104 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@H](C(=O)[O-])C[C@H](C)C3)sc2C1 ZINC001589364458 954179014 /nfs/dbraw/zinc/17/90/14/954179014.db2.gz UMOGPJASGVHHIX-HZSPNIEDSA-N 0 0 389.521 3.116 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](C(=O)[O-])[C@@H](C)C3)sc2C1 ZINC001589364942 954182045 /nfs/dbraw/zinc/18/20/45/954182045.db2.gz YVFQKFAWVPZAAP-HZSPNIEDSA-N 0 0 389.521 3.116 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](C(=O)[O-])[C@H](C)C3)sc2C1 ZINC001589364944 954182417 /nfs/dbraw/zinc/18/24/17/954182417.db2.gz YVFQKFAWVPZAAP-MGPQQGTHSA-N 0 0 389.521 3.116 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](C(=O)[O-])[C@@H](C)C3)sc2C1 ZINC001589364945 954182808 /nfs/dbraw/zinc/18/28/08/954182808.db2.gz YVFQKFAWVPZAAP-RDBSUJKOSA-N 0 0 389.521 3.116 20 30 GGEDRN C=CCOc1c(Br)cc(C[NH2+][C@H]2C[C@@H](C(=O)[O-])C2)cc1OCC ZINC000874046629 956104571 /nfs/dbraw/zinc/10/45/71/956104571.db2.gz AWBIEHQFAKSTTH-BETUJISGSA-N 0 0 384.270 3.365 20 30 GGEDRN N#Cc1c2c(sc1NC(=O)CC[NH2+]C1(C(=O)[O-])CCCCCC1)CCC2 ZINC001594614145 956228685 /nfs/dbraw/zinc/22/86/85/956228685.db2.gz JUMWUQGFMWKUNG-UHFFFAOYSA-N 0 0 375.494 3.204 20 30 GGEDRN N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H](CCC(=O)[O-])C1)CCC2 ZINC001594614564 956231647 /nfs/dbraw/zinc/23/16/47/956231647.db2.gz ZOFZTFBIHRYFOV-ZDUSSCGKSA-N 0 0 375.494 3.014 20 30 GGEDRN COC[C@]1(C(=O)[O-])CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001593967213 956566915 /nfs/dbraw/zinc/56/69/15/956566915.db2.gz RBQVJNSZZHKFMR-QFIPXVFZSA-N 0 0 378.472 3.309 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](Cc1ccccc1)C(=O)[O-] ZINC001588542632 958972653 /nfs/dbraw/zinc/97/26/53/958972653.db2.gz AFHDAHSZQWTYRM-QAPCUYQASA-N 0 0 397.500 3.162 20 30 GGEDRN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001588544999 958990638 /nfs/dbraw/zinc/99/06/38/958990638.db2.gz GDRKAGZUFWSUDH-HZPDHXFCSA-N 0 0 375.444 3.038 20 30 GGEDRN C[C@@]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)(C(=O)[O-])c1ccccc1 ZINC001573629617 959544004 /nfs/dbraw/zinc/54/40/04/959544004.db2.gz BWCIFHBJTATMGK-FQEVSTJZSA-N 0 0 383.473 3.027 20 30 GGEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c1C#N ZINC001594252542 959622211 /nfs/dbraw/zinc/62/22/11/959622211.db2.gz AMMLNJGRKCAODF-XJKSGUPXSA-N 0 0 386.496 3.073 20 30 GGEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1C#N ZINC001594252541 959622258 /nfs/dbraw/zinc/62/22/58/959622258.db2.gz AMMLNJGRKCAODF-CZUORRHYSA-N 0 0 386.496 3.073 20 30 GGEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1C#N ZINC001574298436 960712349 /nfs/dbraw/zinc/71/23/49/960712349.db2.gz CKWRWECZAATPBJ-YOEHRIQHSA-N 0 0 394.475 3.089 20 30 GGEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1C#N ZINC001574298434 960712609 /nfs/dbraw/zinc/71/26/09/960712609.db2.gz CKWRWECZAATPBJ-RHSMWYFYSA-N 0 0 394.475 3.089 20 30 GGEDRN N#Cc1cccc(COc2cccc(C[NH2+][C@H](Cc3ccncc3)C(=O)[O-])c2)c1 ZINC001574489761 961706193 /nfs/dbraw/zinc/70/61/93/961706193.db2.gz OEYDDCPPIHXDLM-JOCHJYFZSA-N 0 0 387.439 3.318 20 30 GGEDRN C#CC[N@H+](Cc1ccccc1CC(=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001573310789 962690391 /nfs/dbraw/zinc/69/03/91/962690391.db2.gz CRNSAKJLDDDKFJ-UHFFFAOYSA-N 0 0 386.492 3.148 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](Cc1ccccc1)C(=O)[O-] ZINC001588989315 962797622 /nfs/dbraw/zinc/79/76/22/962797622.db2.gz DLYYUIFDRALWOU-MAUKXSAKSA-N 0 0 397.500 3.305 20 30 GGEDRN C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C(C)C ZINC001573368070 963074168 /nfs/dbraw/zinc/07/41/68/963074168.db2.gz HLJAOCAWXLNSPW-MRXNPFEDSA-N 0 0 381.423 3.483 20 30 GGEDRN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC001603434151 973197478 /nfs/dbraw/zinc/19/74/78/973197478.db2.gz MKMSVNQWDBZYEO-LALPHHSUSA-N 0 0 375.494 3.011 20 30 GGEDRN Cn1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(-c2ccc(C#N)cc2)n1 ZINC001605496429 973660984 /nfs/dbraw/zinc/66/09/84/973660984.db2.gz DZLHPHUBGBKRIB-LEWJYISDSA-N 0 0 386.455 3.259 20 30 GGEDRN C[C@](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)(C(=O)[O-])c1ccccc1 ZINC000593332345 974982216 /nfs/dbraw/zinc/98/22/16/974982216.db2.gz LSBTYBMATWLFBI-HSZRJFAPSA-N 0 0 377.488 3.155 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC001592225766 977412696 /nfs/dbraw/zinc/41/26/96/977412696.db2.gz NNTFVWCNIPOETR-AWEZNQCLSA-N 0 0 390.509 3.094 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC001592226478 977419269 /nfs/dbraw/zinc/41/92/69/977419269.db2.gz ZENIQNLHKUPVIT-UONOGXRCSA-N 0 0 375.494 3.204 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC001592226479 977419736 /nfs/dbraw/zinc/41/97/36/977419736.db2.gz ZENIQNLHKUPVIT-ZIAGYGMSSA-N 0 0 375.494 3.204 20 30 GGEDRN C[C@@](CC(=O)[O-])([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC001592323618 977737934 /nfs/dbraw/zinc/73/79/34/977737934.db2.gz WWBJUYXKFWIMNM-IBGZPJMESA-N 0 0 375.494 3.060 20 30 GGEDRN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1C#N ZINC000756346370 978698690 /nfs/dbraw/zinc/69/86/90/978698690.db2.gz DDKBEONYCDYPLV-MRXNPFEDSA-N 0 0 375.222 3.245 20 30 GGEDRN C[C@H](CNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)C[NH+](C)C ZINC001592682922 979107278 /nfs/dbraw/zinc/10/72/78/979107278.db2.gz IODDNZKGRNUEAU-MRXNPFEDSA-N 0 0 379.460 3.104 20 30 GGEDRN CCC(CC)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C(=O)[O-] ZINC001595100632 979402459 /nfs/dbraw/zinc/40/24/59/979402459.db2.gz CPHQOEPWXOGGDS-UHFFFAOYSA-N 0 0 382.464 3.137 20 30 GGEDRN C=C(C)C[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nc1C)C(=O)[O-] ZINC000864530352 979945074 /nfs/dbraw/zinc/94/50/74/979945074.db2.gz WNHPQBZVRDTPAV-HNNXBMFYSA-N 0 0 378.270 3.452 20 30 GGEDRN C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCCn3nc(C(=O)[O-])cc32)cc1OC ZINC000900074859 980246916 /nfs/dbraw/zinc/24/69/16/980246916.db2.gz ZVNXTJZAXTVYHU-AWEZNQCLSA-N 0 0 391.855 3.433 20 30 GGEDRN C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1OC ZINC000900074860 980247968 /nfs/dbraw/zinc/24/79/68/980247968.db2.gz ZVNXTJZAXTVYHU-CQSZACIVSA-N 0 0 391.855 3.433 20 30 GGEDRN C=CCOC[C@H]([NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)C(=O)[O-] ZINC000901811049 980532426 /nfs/dbraw/zinc/53/24/26/980532426.db2.gz VJDVJCDGZQPTIO-INIZCTEOSA-N 0 0 397.313 3.185 20 30 GGEDRN Cc1nn(CCC(=O)[O-])c(C)c1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000902390952 980867497 /nfs/dbraw/zinc/86/74/97/980867497.db2.gz NTDQRVQCKBHNAI-UHFFFAOYSA-N 0 0 379.382 3.135 20 30 GGEDRN N#Cc1ccccc1COc1cccc(C[NH2+][C@H](C[C@@H]2CCCO2)C(=O)[O-])c1 ZINC000904032533 981082852 /nfs/dbraw/zinc/08/28/52/981082852.db2.gz WYGNIGSHMXQQAX-LEWJYISDSA-N 0 0 380.444 3.249 20 30 GGEDRN O=C([O-])[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000905403997 981118995 /nfs/dbraw/zinc/11/89/95/981118995.db2.gz SPNWSZRDUFQISQ-JTQLQIEISA-N 0 0 377.256 3.338 20 30 GGEDRN C=CC1(CC(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CCCCC1 ZINC000907809849 981225507 /nfs/dbraw/zinc/22/55/07/981225507.db2.gz CVSXBUSXXAIZPQ-UHFFFAOYSA-N 0 0 385.508 3.358 20 30 GGEDRN CC[C@](C)(C(=O)[O-])[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)CC1CC1 ZINC001594778481 981777671 /nfs/dbraw/zinc/77/76/71/981777671.db2.gz SSEZJERNWVXSFW-VBKZILBWSA-N 0 0 385.489 3.438 20 30 GGEDRN CC[C@](C)(C(=O)[O-])[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC1CC1 ZINC001594778624 981779370 /nfs/dbraw/zinc/77/93/70/981779370.db2.gz XIEGEGIFEFJLCK-KSFYIVLOSA-N 0 0 392.459 3.189 20 30 GGEDRN CC[C@@](C)(C(=O)[O-])[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC1CC1 ZINC001594778623 981779400 /nfs/dbraw/zinc/77/94/00/981779400.db2.gz XIEGEGIFEFJLCK-AOMKIAJQSA-N 0 0 392.459 3.189 20 30 GGEDRN CC[C@H](C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CC(=O)[O-] ZINC001594984004 982793023 /nfs/dbraw/zinc/79/30/23/982793023.db2.gz YDHOXPOZCXZNBP-OLZOCXBDSA-N 0 0 377.510 3.258 20 30 GGEDRN CC[C@@H](C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)CC(=O)[O-] ZINC001594984005 982793251 /nfs/dbraw/zinc/79/32/51/982793251.db2.gz YDHOXPOZCXZNBP-QWHCGFSZSA-N 0 0 377.510 3.258 20 30 GGEDRN CCC[N@H+](Cc1cccc(C(=O)[O-])c1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001595900166 982950292 /nfs/dbraw/zinc/95/02/92/982950292.db2.gz QICLSVHTHFNBHO-MRXNPFEDSA-N 0 0 387.480 3.478 20 30 GGEDRN C#CC[C@H]([NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1)C(=O)[O-] ZINC001588421939 983443489 /nfs/dbraw/zinc/44/34/89/983443489.db2.gz QJFLBFSSMAEMDK-SJCJKPOMSA-N 0 0 376.250 3.436 20 30 GGEDRN C#CC[C@H]([NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C(C)C)C(=O)[O-] ZINC001588423455 983452559 /nfs/dbraw/zinc/45/25/59/983452559.db2.gz HTDTYOGAHGVLHU-INIZCTEOSA-N 0 0 390.281 3.324 20 30 GGEDRN C#CC[C@@H]1CCC[N@@H+](Cn2ncc3c2ccc(Br)c3C(=O)[O-])C1 ZINC001588434623 983471312 /nfs/dbraw/zinc/47/13/12/983471312.db2.gz OVVMBWPSJMNAPD-GFCCVEGCSA-N 0 0 376.254 3.190 20 30 GGEDRN C#CC[NH+]1CCC(C(=O)N[C@H](CC(=O)[O-])c2ccc(-c3ccccc3)cc2)CC1 ZINC001588471727 983507542 /nfs/dbraw/zinc/50/75/42/983507542.db2.gz YREMGJQHEDAJIZ-JOCHJYFZSA-N 0 0 390.483 3.331 20 30 GGEDRN CCN(C(=O)OC(C)(C)C)C1CC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001596155599 983513388 /nfs/dbraw/zinc/51/33/88/983513388.db2.gz GMLNGJCBEIFNSY-SFHVURJKSA-N 0 0 387.480 3.405 20 30 GGEDRN C#Cc1ccc(NC(=O)CC[NH+]2CCC(c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC001588517185 983563918 /nfs/dbraw/zinc/56/39/18/983563918.db2.gz OCURJXAWHKPDSZ-UHFFFAOYSA-N 0 0 383.473 3.031 20 30 GGEDRN C#Cc1ccc(NC(=O)CC[NH2+][C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)cc1 ZINC001588518124 983568104 /nfs/dbraw/zinc/56/81/04/983568104.db2.gz REPVJKIDUDJEEJ-WAIKUNEKSA-N 0 0 376.456 3.464 20 30 GGEDRN C=C(C)C[C@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)C(=O)[O-] ZINC001588553659 983628517 /nfs/dbraw/zinc/62/85/17/983628517.db2.gz PCQCYBKJDITECF-INIZCTEOSA-N 0 0 377.441 3.476 20 30 GGEDRN C=C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)C(=O)[O-] ZINC001588702190 983919271 /nfs/dbraw/zinc/91/92/71/983919271.db2.gz LXBUKUGLPLNWSX-BRWVUGGUSA-N 0 0 378.444 3.148 20 30 GGEDRN C=C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)C(=O)[O-] ZINC001588702191 983919406 /nfs/dbraw/zinc/91/94/06/983919406.db2.gz LXBUKUGLPLNWSX-IXDOHACOSA-N 0 0 378.444 3.148 20 30 GGEDRN C=CC[C@@H](C(=O)[O-])[N@H+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001588731214 984007695 /nfs/dbraw/zinc/00/76/95/984007695.db2.gz FJYWNGMOWGUTJP-BBWFWOEESA-N 0 0 378.444 3.148 20 30 GGEDRN C=CCC1([NH2+]CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CCCCC1 ZINC001588769227 984132923 /nfs/dbraw/zinc/13/29/23/984132923.db2.gz QRQBLNPBKXCXPC-IBGZPJMESA-N 0 0 383.492 3.148 20 30 GGEDRN C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001588771112 984137876 /nfs/dbraw/zinc/13/78/76/984137876.db2.gz OKQVYSOKQPNZHQ-BPAFIMBUSA-N 0 0 383.492 3.004 20 30 GGEDRN C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001588771113 984138118 /nfs/dbraw/zinc/13/81/18/984138118.db2.gz OKQVYSOKQPNZHQ-MOXGXCLJSA-N 0 0 383.492 3.004 20 30 GGEDRN C=CC[C@H]1[N@H+](CC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)CCCC1(C)C ZINC001588773947 984150311 /nfs/dbraw/zinc/15/03/11/984150311.db2.gz NRMHKXROPCVTEF-QGZVFWFLSA-N 0 0 388.464 3.177 20 30 GGEDRN C=CCC[C@H]([NH2+]CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1ccccc1 ZINC001588779401 984165911 /nfs/dbraw/zinc/16/59/11/984165911.db2.gz XLRLVGZPSXVOFE-IBGZPJMESA-N 0 0 396.443 3.407 20 30 GGEDRN C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCc2cccc(C(=O)[O-])c2C1)C(C)C ZINC001588826644 984305025 /nfs/dbraw/zinc/30/50/25/984305025.db2.gz OESCBPDOPSAFQO-HXUWFJFHSA-N 0 0 385.508 3.151 20 30 GGEDRN C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCc2cccc(C(=O)[O-])c2C1)C(C)C ZINC001588826643 984305036 /nfs/dbraw/zinc/30/50/36/984305036.db2.gz OESCBPDOPSAFQO-FQEVSTJZSA-N 0 0 385.508 3.151 20 30 GGEDRN C=CCSc1ccccc1NC(=O)CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001588879703 984458288 /nfs/dbraw/zinc/45/82/88/984458288.db2.gz JXWWEDNEZCMZID-MRXNPFEDSA-N 0 0 388.411 3.242 20 30 GGEDRN C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001588882351 984462672 /nfs/dbraw/zinc/46/26/72/984462672.db2.gz OLOWKIUKWXTWRJ-FQEVSTJZSA-N 0 0 379.428 3.240 20 30 GGEDRN C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[C@@H](C(=O)[O-])[C@@H]2C)c1=S ZINC001588889304 984478142 /nfs/dbraw/zinc/47/81/42/984478142.db2.gz PHZCDUFTOPRQJK-SWLSCSKDSA-N 0 0 376.457 3.159 20 30 GGEDRN CCOC(=O)c1csc(C2CC[NH+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)n1 ZINC001596746523 985065855 /nfs/dbraw/zinc/06/58/55/985065855.db2.gz GQWRJFXCRHOFIV-QGZVFWFLSA-N 0 0 399.472 3.197 20 30 GGEDRN CCOC(=O)c1csc(C2CC[NH+]([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)n1 ZINC001596746521 985065918 /nfs/dbraw/zinc/06/59/18/985065918.db2.gz GQWRJFXCRHOFIV-KRWDZBQOSA-N 0 0 399.472 3.197 20 30 GGEDRN CCO[C@H]1C[C@]([NH2+]Cc2ccc(Br)cc2C#N)(C(=O)[O-])C1(C)C ZINC001596838942 985513395 /nfs/dbraw/zinc/51/33/95/985513395.db2.gz QMSSEEKGXPANRM-YOEHRIQHSA-N 0 0 381.270 3.069 20 30 GGEDRN C[C@H](C[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1)C(=O)[O-] ZINC001589331472 986186508 /nfs/dbraw/zinc/18/65/08/986186508.db2.gz FPTYEUKNMXKVSJ-UONOGXRCSA-N 0 0 375.494 3.062 20 30 GGEDRN C[C@@H](C(=O)[O-])[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 ZINC001589470153 986953334 /nfs/dbraw/zinc/95/33/34/986953334.db2.gz XCOYYVGJLHIPSN-BFUOFWGJSA-N 0 0 397.500 3.489 20 30 GGEDRN CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 ZINC001589627995 987526906 /nfs/dbraw/zinc/52/69/06/987526906.db2.gz ZGTCSIUVEJDWGR-UHFFFAOYSA-N 0 0 397.500 3.161 20 30 GGEDRN CC(C)(C)OC(=O)N1CC=C(CC[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC001589963271 988775369 /nfs/dbraw/zinc/77/53/69/988775369.db2.gz FLHPRQCCWFUIHH-GOSISDBHSA-N 0 0 385.464 3.231 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001589996393 988919725 /nfs/dbraw/zinc/91/97/25/988919725.db2.gz ZSBRMGQISBLJAS-IRXDYDNUSA-N 0 0 385.464 3.063 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+]([C@H](C(=O)[O-])c1cccc(C#N)c1)CC2 ZINC001590004091 988938743 /nfs/dbraw/zinc/93/87/43/988938743.db2.gz ODOMGQNINXYALD-SFHVURJKSA-N 0 0 399.491 3.407 20 30 GGEDRN CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cccc(C(=O)[O-])c3C#N)CCC[C@@H]12 ZINC001590073745 989157790 /nfs/dbraw/zinc/15/77/90/989157790.db2.gz CEXVRUCCHNISTE-UTKZUKDTSA-N 0 0 385.464 3.278 20 30 GGEDRN CC(C)(C)OC(=O)N1CCc2ccc(C[NH+]3CCC(C#N)(C(=O)[O-])CC3)cc2C1 ZINC001590084674 989194964 /nfs/dbraw/zinc/19/49/64/989194964.db2.gz GTUFAEFGKAWOHL-UHFFFAOYSA-N 0 0 399.491 3.170 20 30 GGEDRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC001590139965 989406211 /nfs/dbraw/zinc/40/62/11/989406211.db2.gz QOWRRRUUGXIGCN-XOYOTBSWSA-N 0 0 385.464 3.062 20 30 GGEDRN COc1ccccc1NC(=O)[C@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001599715795 991452030 /nfs/dbraw/zinc/45/20/30/991452030.db2.gz VOMLXNVXKQYIEG-PXNSSMCTSA-N 0 0 393.443 3.043 20 30 GGEDRN C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598437023 991837238 /nfs/dbraw/zinc/83/72/38/991837238.db2.gz LYLFMEVLAASUSY-IAGOWNOFSA-N 0 0 389.249 3.112 20 30 GGEDRN C[NH+]1CCC(NC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC1 ZINC001598586380 993388252 /nfs/dbraw/zinc/38/82/52/993388252.db2.gz NSVNLCLAOOZILQ-UHFFFAOYSA-N 0 0 377.444 3.000 20 30 GGEDRN C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593231447 994375617 /nfs/dbraw/zinc/37/56/17/994375617.db2.gz KJXDGQPFVYXGAZ-HTAPYJJXSA-N 0 0 377.488 3.449 20 30 GGEDRN COc1cccc([C@@H](C(=O)[O-])[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC001599650642 994493159 /nfs/dbraw/zinc/49/31/59/994493159.db2.gz NIFUZRQOXIPDDJ-FQEVSTJZSA-N 0 0 384.407 3.375 20 30 GGEDRN C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccc(OCC(=O)[O-])cc1 ZINC001593292217 994676381 /nfs/dbraw/zinc/67/63/81/994676381.db2.gz JFVPQGZJPLTXFH-GFCCVEGCSA-N 0 0 376.359 3.474 20 30 GGEDRN C[C@H](Oc1ccccc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001593644807 995966621 /nfs/dbraw/zinc/96/66/21/995966621.db2.gz DENHURVKZCZYLC-SFHVURJKSA-N 0 0 393.487 3.118 20 30 GGEDRN CC1(C)CCC[C@@]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)(C(=O)[O-])C1 ZINC001593896444 996753896 /nfs/dbraw/zinc/75/38/96/996753896.db2.gz XQQOCOZTIRMTPY-NYHFZMIOSA-N 0 0 392.459 3.237 20 30 GGEDRN COC[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC001599193173 997163251 /nfs/dbraw/zinc/16/32/51/997163251.db2.gz ZGWZENORODVSHV-JOCHJYFZSA-N 0 0 380.444 3.203 20 30 GGEDRN COc1cc(C[NH2+][C@@](C)(C(=O)[O-])c2cccc(Br)c2)ccc1C#N ZINC001599416350 997518264 /nfs/dbraw/zinc/51/82/64/997518264.db2.gz UIOGEXFLGXFDST-GOSISDBHSA-N 0 0 389.249 3.419 20 30 GGEDRN COc1cc(Br)ccc1C[NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001599348997 998060952 /nfs/dbraw/zinc/06/09/52/998060952.db2.gz ZNTJJSIMRICPML-MRXNPFEDSA-N 0 0 375.222 3.245 20 30 GGEDRN COc1cc(C#N)ccc1OCC[NH2+][C@@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001599350372 998081972 /nfs/dbraw/zinc/08/19/72/998081972.db2.gz NZPIMMLZRORQQW-NYHFZMIOSA-N 0 0 380.444 3.413 20 30 GGEDRN COc1ccc(C[N@H+](Cc2cccc(C(=O)[O-])c2C#N)[C@H](CO)C(C)C)cc1 ZINC001599559428 998160900 /nfs/dbraw/zinc/16/09/00/998160900.db2.gz ATKPIZVDOBSOBM-OAQYLSRUSA-N 0 0 382.460 3.284 20 30 GGEDRN COc1ccc(C#N)cc1C[N@H+](CC(=O)[O-])Cc1cccc(Br)c1 ZINC001599477015 998549285 /nfs/dbraw/zinc/54/92/85/998549285.db2.gz SYRBUEKWHNXOAD-UHFFFAOYSA-N 0 0 389.249 3.416 20 30 GGEDRN COC(=O)c1cccc(C[NH2+][C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])c1C#N ZINC001598995625 998776988 /nfs/dbraw/zinc/77/69/88/998776988.db2.gz KDRKXXDOFDMYLJ-HXUWFJFHSA-N 0 0 386.835 3.174 20 30 GGEDRN C[C@H]([NH2+][C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-])C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001594291070 999121324 /nfs/dbraw/zinc/12/13/24/999121324.db2.gz DNNLAZNIRRXDFS-BESKTRMFSA-N 0 0 399.535 3.227 20 30 GGEDRN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001594292778 999129445 /nfs/dbraw/zinc/12/94/45/999129445.db2.gz UGERWSHTWPAIOQ-LZKLMHIUSA-N 0 0 397.519 3.034 20 30 GGEDRN C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C(=O)[O-])C1 ZINC001594418850 999563231 /nfs/dbraw/zinc/56/32/31/999563231.db2.gz KVJORTCRPOEOHV-IUODEOHRSA-N 0 0 375.494 3.012 20 30 GGEDRN C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCCC[C@H]3C(=O)[O-])sc2C1 ZINC001594441435 999627192 /nfs/dbraw/zinc/62/71/92/999627192.db2.gz CIIXSCIPCCNWMS-BBRMVZONSA-N 0 0 389.521 3.402 20 30 GGEDRN C[C@@H](C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C1CC1)C(=O)[O-] ZINC001594442181 999628628 /nfs/dbraw/zinc/62/86/28/999628628.db2.gz NQBGUNWDLPFCMQ-STQMWFEESA-N 0 0 389.521 3.258 20 30 GGEDRN C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C(C)(C)CC(=O)[O-])sc2C1 ZINC001594442603 999629578 /nfs/dbraw/zinc/62/95/78/999629578.db2.gz VTALMGQIUSXOSO-LBPRGKRZSA-N 0 0 377.510 3.258 20 30 GGEDRN C=CCOc1ccc(C[NH2+][C@@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])cc1Cl ZINC000277172095 1126078221 /nfs/dbraw/zinc/07/82/21/1126078221.db2.gz DUKKBOQRZWHPMO-INIZCTEOSA-N 0 0 389.835 3.419 20 30 GGEDRN C=CCOc1cccc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])c1 ZINC000277174757 1126078336 /nfs/dbraw/zinc/07/83/36/1126078336.db2.gz DWLSMEPHTQHWGD-LJQANCHMSA-N 0 0 383.444 3.198 20 30 GGEDRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000277259898 1126078586 /nfs/dbraw/zinc/07/85/86/1126078586.db2.gz KPOAQXPHWCGSRN-NSHDSACASA-N 0 0 399.266 3.303 20 30 GGEDRN C=CCc1cc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc(OC)c1O ZINC000426675631 1126081483 /nfs/dbraw/zinc/08/14/83/1126081483.db2.gz UTACIDZLMBRLEY-IBGZPJMESA-N 0 0 380.444 3.396 20 30 GGEDRN COc1cc(C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C(=O)[O-])cc(OC)c1 ZINC000593947065 1126098689 /nfs/dbraw/zinc/09/86/89/1126098689.db2.gz DUDITELZQRZDAA-HXUWFJFHSA-N 0 0 382.460 3.290 20 30 GGEDRN C=CCOc1c(Cl)cc(C[NH2+][C@H](Cc2ccc(O)cc2)C(=O)[O-])cc1OC ZINC000630450853 1126100979 /nfs/dbraw/zinc/10/09/79/1126100979.db2.gz GFTZSRABAXVSNX-QGZVFWFLSA-N 0 0 391.851 3.405 20 30 GGEDRN COc1cc(C[NH2+][C@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])ccc1C#N ZINC000864529058 1126114092 /nfs/dbraw/zinc/11/40/92/1126114092.db2.gz WMWBHOGLDNUHRZ-MRXNPFEDSA-N 0 0 394.349 3.251 20 30 GGEDRN C=C(C)COc1cc(C[NH2+][C@H](Cc2c[nH]c3cccnc23)C(=O)[O-])ccc1OC ZINC000904063161 1126132673 /nfs/dbraw/zinc/13/26/73/1126132673.db2.gz OKLLVGLKLCTRMG-GOSISDBHSA-N 0 0 395.459 3.312 20 30 GGEDRN COc1cc(C[NH2+][C@@H](Cc2ccccc2Br)C(=O)[O-])ccc1C#N ZINC001607164331 1126232490 /nfs/dbraw/zinc/23/24/90/1126232490.db2.gz VBJZOAMKNQJMTR-INIZCTEOSA-N 0 0 389.249 3.115 20 30 GGEDRN N#Cc1c(F)cccc1C[NH2+][C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001608194000 1126235890 /nfs/dbraw/zinc/23/58/90/1126235890.db2.gz HMYHWYQHZSJQMI-INIZCTEOSA-N 0 0 382.313 3.381 20 30 GGEDRN N#Cc1c(F)cccc1C[NH2+][C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001608194005 1126235903 /nfs/dbraw/zinc/23/59/03/1126235903.db2.gz HMYHWYQHZSJQMI-MRXNPFEDSA-N 0 0 382.313 3.381 20 30 GGEDRN N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2Br)C(=O)[O-])cc1F ZINC001608207151 1126236039 /nfs/dbraw/zinc/23/60/39/1126236039.db2.gz CGGGSCOODBVEQV-MRXNPFEDSA-N 0 0 377.213 3.245 20 30 GGEDRN C[C@H](Sc1nnc(-c2cccs2)n1N)C(=O)N(CCC#N)c1ccccc1 ZINC000004537023 230835630 /nfs/dbraw/zinc/83/56/30/230835630.db2.gz ISUXUDXLIFHUDL-ZDUSSCGKSA-N 0 0 398.517 3.148 20 30 GGEDRN C[C@H]1CCCC[C@H]1NC(=S)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000013056658 230883881 /nfs/dbraw/zinc/88/38/81/230883881.db2.gz HLTJXQFBTZVWLO-XJKSGUPXSA-N 0 0 394.566 3.022 20 30 GGEDRN Cc1ccc2nc(SCC(=O)N(CCC#N)c3ccccc3)n(C)c(=O)c2c1 ZINC000048310746 230933720 /nfs/dbraw/zinc/93/37/20/230933720.db2.gz IKKKSGSFTBOLQQ-UHFFFAOYSA-N 0 0 392.484 3.281 20 30 GGEDRN N#CCCn1cc(C(=O)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000097262313 231002234 /nfs/dbraw/zinc/00/22/34/231002234.db2.gz DPVYCIXWWMHJOA-UHFFFAOYSA-N 0 0 390.355 3.254 20 30 GGEDRN C[C@]1(c2ccccc2Br)NC(=O)N(Cc2ccccc2C#N)C1=O ZINC000018416952 210220221 /nfs/dbraw/zinc/22/02/21/210220221.db2.gz ZIZSQUIKSWSPSB-GOSISDBHSA-N 0 0 384.233 3.288 20 30 GGEDRN CCOC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017843706 210211053 /nfs/dbraw/zinc/21/10/53/210211053.db2.gz OFXBYMCJWKIGEX-UHFFFAOYSA-N 0 0 392.459 3.085 20 30 GGEDRN CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccccc1C#N ZINC000017525046 210210454 /nfs/dbraw/zinc/21/04/54/210210454.db2.gz DFXPMLNUKCRTKQ-UHFFFAOYSA-N 0 0 398.532 3.411 20 30 GGEDRN CN(C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O)C1(C#N)CCCCC1 ZINC000016615993 210192250 /nfs/dbraw/zinc/19/22/50/210192250.db2.gz QHJFAKWCMFDYRL-UHFFFAOYSA-N 0 0 393.274 3.388 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000016490053 210191254 /nfs/dbraw/zinc/19/12/54/210191254.db2.gz VZOSDTBGLXGBPH-UHFFFAOYSA-N 0 0 379.247 3.324 20 30 GGEDRN CC(=O)c1cc(Br)ccc1OS(=O)(=O)c1ccccc1C#N ZINC000016094706 210185435 /nfs/dbraw/zinc/18/54/35/210185435.db2.gz ZDADIRHVZWGTCB-UHFFFAOYSA-N 0 0 380.219 3.291 20 30 GGEDRN N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000016071099 210183319 /nfs/dbraw/zinc/18/33/19/210183319.db2.gz NSIOZVOJFSFDBP-UHFFFAOYSA-N 0 0 383.473 3.375 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(C#N)cc2)cc1 ZINC000015740755 210168253 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Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1-c1ccc(Br)cc1 ZINC000014143431 210105600 /nfs/dbraw/zinc/10/56/00/210105600.db2.gz ZZXXKCARSPBQQK-UHFFFAOYSA-N 0 0 384.237 3.203 20 30 GGEDRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Cn3cnc(C#N)n3)sc2C1 ZINC000014143516 210105242 /nfs/dbraw/zinc/10/52/42/210105242.db2.gz KIVVBIPXFOWIKV-GFCCVEGCSA-N 0 0 382.493 3.263 20 30 GGEDRN Cc1cc(C)c(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccccc2C#N)c(C)c1 ZINC000013041427 210049444 /nfs/dbraw/zinc/04/94/44/210049444.db2.gz ATGXORLBHUQKKB-QGZVFWFLSA-N 0 0 378.476 3.381 20 30 GGEDRN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cn3ccccc3c2C#N)C1=O ZINC000012998066 210043620 /nfs/dbraw/zinc/04/36/20/210043620.db2.gz WNVXPWHENFUXSF-HXUWFJFHSA-N 0 0 378.819 3.432 20 30 GGEDRN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000012929521 210032230 /nfs/dbraw/zinc/03/22/30/210032230.db2.gz XQABHHYCISLVFL-CVEARBPZSA-N 0 0 375.432 3.126 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000012906885 210026458 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N#Cc1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000005752319 209612487 /nfs/dbraw/zinc/61/24/87/209612487.db2.gz POBBHAGXHYEUSZ-UHFFFAOYSA-N 0 0 383.713 3.421 20 30 GGEDRN N#Cc1cc([N+](=O)[O-])cnc1NCc1cc(Br)c2c(c1)OCCO2 ZINC000520565112 532495607 /nfs/dbraw/zinc/49/56/07/532495607.db2.gz IUCUJNREUFNWIL-UHFFFAOYSA-N 0 0 391.181 3.007 20 30 GGEDRN CCn1c(S[C@H](C)C(=O)NC2(C#N)CCCCC2)nnc1-c1ccncc1 ZINC000005312398 209587347 /nfs/dbraw/zinc/58/73/47/209587347.db2.gz PLNNEAWIXOWQAX-CQSZACIVSA-N 0 0 384.509 3.183 20 30 GGEDRN N#Cc1ccc(NC(=O)COC(=O)COc2ccc3c(c2)CCC3)cc1Cl ZINC000005229946 209581408 /nfs/dbraw/zinc/58/14/08/209581408.db2.gz QBTABLSBDBDNMU-UHFFFAOYSA-N 0 0 384.819 3.261 20 30 GGEDRN COC(=O)c1ccc2c(c1)nc(SCCC#N)n(CCc1ccccc1)c2=O ZINC000005040350 209560900 /nfs/dbraw/zinc/56/09/00/209560900.db2.gz JLSDBGRSRIDKQC-UHFFFAOYSA-N 0 0 393.468 3.432 20 30 GGEDRN N#CCCN(C(=O)CSc1nnnn1-c1ccc(Cl)cc1)c1ccccc1 ZINC000003493244 209441430 /nfs/dbraw/zinc/44/14/30/209441430.db2.gz 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388.265 3.270 20 30 GGEDRN N#Cc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1Cl ZINC000008331547 564249048 /nfs/dbraw/zinc/24/90/48/564249048.db2.gz JMSQTDLZGPMNEF-UHFFFAOYSA-N 0 0 375.837 3.004 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)Cc2ccccc2I)c1 ZINC000119124172 564256107 /nfs/dbraw/zinc/25/61/07/564256107.db2.gz CJLVZPKGHIETJX-UHFFFAOYSA-N 0 0 394.187 3.161 20 30 GGEDRN CN(C(=O)CSc1nnc(-c2cccs2)n1C)C1(C#N)CCCCC1 ZINC000010710176 564260258 /nfs/dbraw/zinc/26/02/58/564260258.db2.gz ADRNDSPYRSLQGI-UHFFFAOYSA-N 0 0 375.523 3.321 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccsc1C(=O)OC ZINC000119239311 564260645 /nfs/dbraw/zinc/26/06/45/564260645.db2.gz BVKDXUHPYMVJKE-UHFFFAOYSA-N 0 0 398.893 3.403 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1sccc1C(=O)OC ZINC000119249643 564261615 /nfs/dbraw/zinc/26/16/15/564261615.db2.gz ZQQVADZNTHBJBN-UHFFFAOYSA-N 0 0 398.893 3.403 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000119250445 564262121 /nfs/dbraw/zinc/26/21/21/564262121.db2.gz GNHKJLRSZLTXDJ-RUZDIDTESA-N 0 0 396.921 3.292 20 30 GGEDRN C=CCn1c(C)nnc1SCC(=O)Nc1cc(C)c(C(=O)OCC)s1 ZINC000011428032 564262673 /nfs/dbraw/zinc/26/26/73/564262673.db2.gz NBBAUWICQJAALT-UHFFFAOYSA-N 0 0 380.495 3.050 20 30 GGEDRN COc1cc(OC)cc([C@@H](O)CNc2ccc(C#N)cc2Br)c1 ZINC000119297007 564263718 /nfs/dbraw/zinc/26/37/18/564263718.db2.gz CGSLBIUZENGEIP-KRWDZBQOSA-N 0 0 377.238 3.483 20 30 GGEDRN N#Cc1ccc(F)c(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)c1 ZINC000011540765 564263831 /nfs/dbraw/zinc/26/38/31/564263831.db2.gz CVPOTMDCFZKIEF-UHFFFAOYSA-N 0 0 377.466 3.169 20 30 GGEDRN C=CCn1c(C)nnc1SCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000012055872 564266209 /nfs/dbraw/zinc/26/62/09/564266209.db2.gz BKIZDKWYLIXMJX-UHFFFAOYSA-N 0 0 382.873 3.174 20 30 GGEDRN C=CCn1c(C)nnc1SCC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000012055850 564266372 /nfs/dbraw/zinc/26/63/72/564266372.db2.gz DWTUNOMBJDPLHC-UHFFFAOYSA-N 0 0 382.873 3.174 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)c2csc(S(C)(=O)=O)c2)cc1 ZINC000119389348 564267654 /nfs/dbraw/zinc/26/76/54/564267654.db2.gz APDABUJFRLKFJR-UHFFFAOYSA-N 0 0 378.475 3.111 20 30 GGEDRN C=CCn1c2ncn(CC(=O)N[C@@H](C)c3cccs3)c(=O)c2sc1=S ZINC000012516507 564268472 /nfs/dbraw/zinc/26/84/72/564268472.db2.gz MRLCYPLGFYDHGI-JTQLQIEISA-N 0 0 392.531 3.114 20 30 GGEDRN C=CCN(CC(=O)N[C@H](C)c1cccs1)S(=O)(=O)c1cccc(Cl)c1 ZINC000119589549 564277884 /nfs/dbraw/zinc/27/78/84/564277884.db2.gz LXTHVGSTSPBIJL-CYBMUJFWSA-N 0 0 398.937 3.456 20 30 GGEDRN C#CCNC(=O)[C@H](C)SCc1csc(-c2ccc(OC)cc2OC)n1 ZINC000119604022 564278112 /nfs/dbraw/zinc/27/81/12/564278112.db2.gz NKHVULBIOABNLE-LBPRGKRZSA-N 0 0 376.503 3.198 20 30 GGEDRN C[C@@H](c1cccc(Cl)c1)S(=O)(=O)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000119611183 564279364 /nfs/dbraw/zinc/27/93/64/564279364.db2.gz SNQQHLGTRWNOLR-GUYCJALGSA-N 0 0 379.865 3.127 20 30 GGEDRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sccc2C#N)ccc1C ZINC000014626516 564282318 /nfs/dbraw/zinc/28/23/18/564282318.db2.gz MAFPPGBUYSPBPM-UHFFFAOYSA-N 0 0 377.491 3.211 20 30 GGEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000014622851 564282903 /nfs/dbraw/zinc/28/29/03/564282903.db2.gz IXKYNXUHECQVFC-LLVKDONJSA-N 0 0 378.837 3.021 20 30 GGEDRN N#CC1(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CCC1 ZINC000119734614 564286172 /nfs/dbraw/zinc/28/61/72/564286172.db2.gz PTXZZXYJTZFMNV-UHFFFAOYSA-N 0 0 390.281 3.320 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000015350633 564286333 /nfs/dbraw/zinc/28/63/33/564286333.db2.gz GPMGCXZDIGNFTM-UHFFFAOYSA-N 0 0 395.278 3.166 20 30 GGEDRN COc1ccc(Br)cc1CN(C)CC(=O)Nc1cccc(C#N)c1 ZINC000015351608 564286538 /nfs/dbraw/zinc/28/65/38/564286538.db2.gz IHTMXZVIIAGFEX-UHFFFAOYSA-N 0 0 388.265 3.400 20 30 GGEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2csc(S(C)(=O)=O)c2)cc1 ZINC000119762239 564286818 /nfs/dbraw/zinc/28/68/18/564286818.db2.gz OABCOWQFUDLGBV-HNNXBMFYSA-N 0 0 376.503 3.444 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000015419143 564287315 /nfs/dbraw/zinc/28/73/15/564287315.db2.gz SKUZQSXMEFKUBT-UHFFFAOYSA-N 0 0 380.853 3.065 20 30 GGEDRN N#Cc1ccc(CN2CCN(C(=O)c3ccc(Br)s3)CC2)cc1 ZINC000015742280 564289910 /nfs/dbraw/zinc/28/99/10/564289910.db2.gz XAMHJWKENAENQN-UHFFFAOYSA-N 0 0 390.306 3.340 20 30 GGEDRN C=CCN(C(=O)c1ccc(S(C)(=O)=O)cc1)c1nc2c(s1)CCCC2 ZINC000015968929 564291056 /nfs/dbraw/zinc/29/10/56/564291056.db2.gz ANXMRNWMVRNLNV-UHFFFAOYSA-N 0 0 376.503 3.258 20 30 GGEDRN CS(=O)(=O)c1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cs1 ZINC000119862504 564291647 /nfs/dbraw/zinc/29/16/47/564291647.db2.gz OHWYOYQLLZOEIG-LBPRGKRZSA-N 0 0 389.285 3.453 20 30 GGEDRN C[C@@]1(c2ccc(Br)cc2)NC(=O)N(Cc2cccc(C#N)c2)C1=O ZINC000016287458 564291802 /nfs/dbraw/zinc/29/18/02/564291802.db2.gz QAIUQKODSUHGPJ-SFHVURJKSA-N 0 0 384.233 3.288 20 30 GGEDRN CS(=O)(=O)c1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cs1 ZINC000119862642 564291783 /nfs/dbraw/zinc/29/17/83/564291783.db2.gz OHWYOYQLLZOEIG-GFCCVEGCSA-N 0 0 389.285 3.453 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000016148926 564291906 /nfs/dbraw/zinc/29/19/06/564291906.db2.gz ZURKNXDONABPBD-GOSISDBHSA-N 0 0 384.277 3.472 20 30 GGEDRN N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000016148832 564291945 /nfs/dbraw/zinc/29/19/45/564291945.db2.gz FNXZAIHKVIDGNC-SFHVURJKSA-N 0 0 384.277 3.472 20 30 GGEDRN C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000016373035 564293820 /nfs/dbraw/zinc/29/38/20/564293820.db2.gz CZLZMXMEJHBIPV-SNVBAGLBSA-N 0 0 376.873 3.433 20 30 GGEDRN C=CCn1c2ncn(CC(=O)N[C@H](C)CCCCC)c(=O)c2sc1=S ZINC000016550932 564295251 /nfs/dbraw/zinc/29/52/51/564295251.db2.gz DXGSTWNKVGIHLR-GFCCVEGCSA-N 0 0 380.539 3.260 20 30 GGEDRN C=CCN(Cc1nc([C@H](C)OCC)no1)S(=O)(=O)c1cccc(Cl)c1 ZINC000119982437 564298905 /nfs/dbraw/zinc/29/89/05/564298905.db2.gz MWLFVSILQYFAJC-LBPRGKRZSA-N 0 0 385.873 3.197 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2Cl)cc1 ZINC000017908396 564299235 /nfs/dbraw/zinc/29/92/35/564299235.db2.gz QRKYBTWJIGHRGD-ZDUSSCGKSA-N 0 0 378.881 3.295 20 30 GGEDRN N#Cc1ccc(NCCNS(=O)(=O)c2cccs2)c(C(F)(F)F)c1 ZINC000120033208 564300946 /nfs/dbraw/zinc/30/09/46/564300946.db2.gz ZHMILESXXPKSNA-UHFFFAOYSA-N 0 0 375.397 3.029 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)Cc2cccc(I)c2)c1 ZINC000120052123 564301791 /nfs/dbraw/zinc/30/17/91/564301791.db2.gz ZYJBJKVRQXTDCS-UHFFFAOYSA-N 0 0 394.187 3.161 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Br)cc1F ZINC000019679057 564303494 /nfs/dbraw/zinc/30/34/94/564303494.db2.gz KAYRHNRUEDUXNG-UHFFFAOYSA-N 0 0 392.228 3.336 20 30 GGEDRN N#Cc1cc(C#N)c(SCC(=O)Nc2c(Cl)cccc2Cl)nc1N ZINC000021424581 564310777 /nfs/dbraw/zinc/31/07/77/564310777.db2.gz OUIXGIZZGRESCO-UHFFFAOYSA-N 0 0 378.244 3.445 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nncn1-c1cccc(Cl)c1 ZINC000021463823 564311172 /nfs/dbraw/zinc/31/11/72/564311172.db2.gz JMMODMBAVURLQD-SJKOYZFVSA-N 0 0 377.901 3.456 20 30 GGEDRN C[C@@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)Nc1ccc(F)cc1Cl ZINC000021425251 564311289 /nfs/dbraw/zinc/31/12/89/564311289.db2.gz LJOFTERYHJLCCW-MRVPVSSYSA-N 0 0 375.816 3.319 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nncn1-c1cccc(Cl)c1 ZINC000021463827 564311302 /nfs/dbraw/zinc/31/13/02/564311302.db2.gz JMMODMBAVURLQD-YVEFUNNKSA-N 0 0 377.901 3.456 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000021930477 564313100 /nfs/dbraw/zinc/31/31/00/564313100.db2.gz MLSOSRGPYQOVJX-UHFFFAOYSA-N 0 0 376.503 3.017 20 30 GGEDRN Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2ccc(C#N)cc2Br)C1 ZINC000120300081 564313855 /nfs/dbraw/zinc/31/38/55/564313855.db2.gz LCZAAPROKIAQMT-CZUORRHYSA-N 0 0 375.270 3.004 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000022131899 564313962 /nfs/dbraw/zinc/31/39/62/564313962.db2.gz NVRSFRDPFKURCF-INIZCTEOSA-N 0 0 376.503 3.190 20 30 GGEDRN C=CCOc1c(Br)cc(CN(C)CC(=O)NC2CC2)cc1OCC ZINC000120327789 564315888 /nfs/dbraw/zinc/31/58/88/564315888.db2.gz XIXPRUXWOXAVTP-UHFFFAOYSA-N 0 0 397.313 3.123 20 30 GGEDRN C[C@@H]1CN(Cc2csc(NC(=O)c3cc(Br)c[nH]3)n2)C[C@H](C)O1 ZINC000022302809 564316439 /nfs/dbraw/zinc/31/64/39/564316439.db2.gz KDAZQUVCAPDINF-AOOOYVTPSA-N 0 0 399.314 3.479 20 30 GGEDRN C=CCNc1nnc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000022345929 564316593 /nfs/dbraw/zinc/31/65/93/564316593.db2.gz IPUZYTPDECYHDW-SNVBAGLBSA-N 0 0 379.467 3.472 20 30 GGEDRN C[C@@H]1CN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)C[C@@H](C)O1 ZINC000022300547 564316661 /nfs/dbraw/zinc/31/66/61/564316661.db2.gz ZPESKBMYACXZIG-NXEZZACHSA-N 0 0 382.467 3.358 20 30 GGEDRN N#C[C@H](NC(=O)CCCc1nc(C2CC2)no1)c1cccc(Br)c1 ZINC000120438933 564319603 /nfs/dbraw/zinc/31/96/03/564319603.db2.gz LDSDUAPGYQGRTC-AWEZNQCLSA-N 0 0 389.253 3.413 20 30 GGEDRN C=CCN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000022993957 564320908 /nfs/dbraw/zinc/32/09/08/564320908.db2.gz OYBXULJTBIHTHY-UHFFFAOYSA-N 0 0 384.910 3.241 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(I)c1 ZINC000120469745 564320981 /nfs/dbraw/zinc/32/09/81/564320981.db2.gz GORWZKDZQDEARN-UHFFFAOYSA-N 0 0 390.224 3.364 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCc1nc([C@H]2CCOC2)no1 ZINC000120471533 564321203 /nfs/dbraw/zinc/32/12/03/564321203.db2.gz WPILOYLCROWOIR-NSHDSACASA-N 0 0 394.225 3.185 20 30 GGEDRN C=CCNc1nnc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000023583086 564325160 /nfs/dbraw/zinc/32/51/60/564325160.db2.gz MUXSNYFIMWTGNV-UHFFFAOYSA-N 0 0 376.423 3.387 20 30 GGEDRN C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)N(C)CCC#N ZINC000120588722 564327532 /nfs/dbraw/zinc/32/75/32/564327532.db2.gz RKFPSMXZESWVQP-LLVKDONJSA-N 0 0 381.552 3.107 20 30 GGEDRN C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)N(C)CCC#N ZINC000120588581 564327867 /nfs/dbraw/zinc/32/78/67/564327867.db2.gz RKFPSMXZESWVQP-NSHDSACASA-N 0 0 381.552 3.107 20 30 GGEDRN C=CCN(C(=O)Nc1cccc(Cl)c1OC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000120605414 564328786 /nfs/dbraw/zinc/32/87/86/564328786.db2.gz XQQYQTBEBJYZSL-CYBMUJFWSA-N 0 0 386.901 3.334 20 30 GGEDRN CN(CC(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C#N)cc1 ZINC000024378405 564330448 /nfs/dbraw/zinc/33/04/48/564330448.db2.gz RBZZMVYXVRHCCD-UHFFFAOYSA-N 0 0 398.271 3.124 20 30 GGEDRN Cc1ccc([C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)s1 ZINC000120686555 564332910 /nfs/dbraw/zinc/33/29/10/564332910.db2.gz MKWXVHGYGNVTSF-CQSZACIVSA-N 0 0 377.447 3.362 20 30 GGEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000025377153 564338860 /nfs/dbraw/zinc/33/88/60/564338860.db2.gz SMHFRSMQWFTFSZ-UHFFFAOYSA-N 0 0 398.271 3.438 20 30 GGEDRN C=CCNC(=O)[C@H](C)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000120871438 564341013 /nfs/dbraw/zinc/34/10/13/564341013.db2.gz MQPIMXWYOUAQBB-NSHDSACASA-N 0 0 377.242 3.134 20 30 GGEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCCNC(C)=O ZINC000120869867 564341020 /nfs/dbraw/zinc/34/10/20/564341020.db2.gz QHNIMOQIGGFWQF-UHFFFAOYSA-N 0 0 380.901 3.315 20 30 GGEDRN N#CC1(NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CCCCC1 ZINC000120942025 564344465 /nfs/dbraw/zinc/34/44/65/564344465.db2.gz BNOWDGHRXNTIMV-ZDUSSCGKSA-N 0 0 390.281 3.145 20 30 GGEDRN C=CCN(C(=O)[C@H](C)SC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000120950234 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Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)ccc1Br ZINC000121118670 564354254 /nfs/dbraw/zinc/35/42/54/564354254.db2.gz YCTJNCVELDTXMG-UHFFFAOYSA-N 0 0 386.249 3.226 20 30 GGEDRN Cc1ccc(Br)cc1NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000121123538 564354377 /nfs/dbraw/zinc/35/43/77/564354377.db2.gz RVNNGAIHQJMWMP-UHFFFAOYSA-N 0 0 386.249 3.226 20 30 GGEDRN CS(=O)(=O)c1ccc(OCCCCC(=O)Nc2sccc2C#N)cc1 ZINC000121185102 564357960 /nfs/dbraw/zinc/35/79/60/564357960.db2.gz IBBFMLJIXXHNAK-UHFFFAOYSA-N 0 0 378.475 3.211 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3sccc3C#N)C2)s1 ZINC000027992564 564358873 /nfs/dbraw/zinc/35/88/73/564358873.db2.gz RLFHWSKUMKIVRY-CYBMUJFWSA-N 0 0 395.531 3.029 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3sccc3C#N)C2)s1 ZINC000027992570 564358969 /nfs/dbraw/zinc/35/89/69/564358969.db2.gz RLFHWSKUMKIVRY-ZDUSSCGKSA-N 0 0 395.531 3.029 20 30 GGEDRN C[C@@H](Nc1cccc(I)c1)C(=O)NC1(C#N)CCCCC1 ZINC000121246097 564360755 /nfs/dbraw/zinc/36/07/55/564360755.db2.gz 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CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000122257764 564406094 /nfs/dbraw/zinc/40/60/94/564406094.db2.gz FCTXJMIAMNYFPD-QGZVFWFLSA-N 0 0 385.917 3.037 20 30 GGEDRN COc1ccc(Br)cc1CN(C)CC(=O)NC1(C#N)CCCCC1 ZINC000032832180 564406422 /nfs/dbraw/zinc/40/64/22/564406422.db2.gz AHZJRXNZAIOCNV-UHFFFAOYSA-N 0 0 394.313 3.232 20 30 GGEDRN COc1ccc(Br)cc1CN(C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000032832186 564406594 /nfs/dbraw/zinc/40/65/94/564406594.db2.gz HKGWPTOHKNXTLM-ACJLOTCBSA-N 0 0 396.329 3.332 20 30 GGEDRN C[C@@H](NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000033178910 564410460 /nfs/dbraw/zinc/41/04/60/564410460.db2.gz JXZYCPUSCVCAJR-CYBMUJFWSA-N 0 0 376.865 3.253 20 30 GGEDRN CCOC(=O)C[C@H](NC(=O)c1ccc(C#N)[nH]1)c1ccc(Br)cc1 ZINC000122388848 564412032 /nfs/dbraw/zinc/41/20/32/564412032.db2.gz JXDCAUAGIBBLEL-HNNXBMFYSA-N 0 0 390.237 3.073 20 30 GGEDRN CC(C)(C)[C@@H](C#N)NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000122422334 564412734 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CC[C@H](C#N)NC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000123893539 564465463 /nfs/dbraw/zinc/46/54/63/564465463.db2.gz LCWQTGISDCEVLD-RISCZKNCSA-N 0 0 388.320 3.263 20 30 GGEDRN Cc1nc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)sc1C ZINC000123926956 564466459 /nfs/dbraw/zinc/46/64/59/564466459.db2.gz FQEYPLXSUXIZKA-UHFFFAOYSA-N 0 0 375.397 3.129 20 30 GGEDRN N#Cc1ccc(NC(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1Cl ZINC000123943062 564466654 /nfs/dbraw/zinc/46/66/54/564466654.db2.gz FPPZNPGWORRIBM-UHFFFAOYSA-N 0 0 377.231 3.417 20 30 GGEDRN CCN(CCC#N)C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000123988565 564468705 /nfs/dbraw/zinc/46/87/05/564468705.db2.gz OWCUERBCFHPLQW-UHFFFAOYSA-N 0 0 375.828 3.398 20 30 GGEDRN N#Cc1cccc(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)c1 ZINC000044484725 564468918 /nfs/dbraw/zinc/46/89/18/564468918.db2.gz GUWOSFDFVXSDBE-UHFFFAOYSA-N 0 0 381.233 3.436 20 30 GGEDRN N#Cc1ccc(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1 ZINC000044485128 564469133 /nfs/dbraw/zinc/46/91/33/564469133.db2.gz CQKVJAVPJDVIDK-UHFFFAOYSA-N 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DMVFMEITIKQPQR-UHFFFAOYSA-N 0 0 379.463 3.345 20 30 GGEDRN C[C@@H](NC(=O)c1ccc(C#N)cn1)c1nc(-c2ccc(Br)cc2)no1 ZINC000124164391 564472998 /nfs/dbraw/zinc/47/29/98/564472998.db2.gz WYNGIVCQBQUIME-SNVBAGLBSA-N 0 0 398.220 3.257 20 30 GGEDRN C=CCn1c(Sc2cc(Cl)nc(N)n2)nc2sc(C)c(C)c2c1=O ZINC000045024828 564477332 /nfs/dbraw/zinc/47/73/32/564477332.db2.gz RPLSKDHPZZSHGR-UHFFFAOYSA-N 0 0 379.898 3.438 20 30 GGEDRN CCC(CC)(CCO)CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000124285358 564477855 /nfs/dbraw/zinc/47/78/55/564477855.db2.gz MKOTYAJISWQLFL-UHFFFAOYSA-N 0 0 378.416 3.044 20 30 GGEDRN N#Cc1cccc(NC(=O)CS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000045271654 564479382 /nfs/dbraw/zinc/47/93/82/564479382.db2.gz YHCFFJYRIKHLID-UHFFFAOYSA-N 0 0 383.256 3.419 20 30 GGEDRN N#CCNC(=O)CSc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1 ZINC000124423305 564481710 /nfs/dbraw/zinc/48/17/10/564481710.db2.gz PCNHDMRVGZQIGI-UHFFFAOYSA-N 0 0 389.893 3.381 20 30 GGEDRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@]1(C#N)CCSC1 ZINC000124571556 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N#CCN(C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C1CCCC1 ZINC000125029499 564501184 /nfs/dbraw/zinc/50/11/84/564501184.db2.gz MTILEDLBEWHVQW-ZDUSSCGKSA-N 0 0 390.281 3.097 20 30 GGEDRN CCn1c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2ccsc2c1=O ZINC000046569419 564503508 /nfs/dbraw/zinc/50/35/08/564503508.db2.gz QZWRVIPMAIEIKH-GTNSWQLSSA-N 0 0 378.523 3.013 20 30 GGEDRN N#Cc1c[nH]c(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c1 ZINC000125111874 564503751 /nfs/dbraw/zinc/50/37/51/564503751.db2.gz BPEHLOUYTTWQNZ-UHFFFAOYSA-N 0 0 384.193 3.483 20 30 GGEDRN N#CCN(C(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C1CCCC1 ZINC000125126047 564503856 /nfs/dbraw/zinc/50/38/56/564503856.db2.gz UCHYVNIDHUCWCK-CQSZACIVSA-N 0 0 390.281 3.097 20 30 GGEDRN Cc1nc(NC(=O)[C@@H](CC(C)C)N2CCCCC2=O)sc1SCC#N ZINC000125136349 564504771 /nfs/dbraw/zinc/50/47/71/564504771.db2.gz BBFMFLFJLUOJEX-CYBMUJFWSA-N 0 0 380.539 3.433 20 30 GGEDRN N#CCCN(Cc1ccccn1)C(=O)Cc1ccc(Br)c(F)c1 ZINC000125144879 564504862 /nfs/dbraw/zinc/50/48/62/564504862.db2.gz QKCFQXGSINESRY-UHFFFAOYSA-N 0 0 376.229 3.468 20 30 GGEDRN C[C@@H](C#N)NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000125263684 564508137 /nfs/dbraw/zinc/50/81/37/564508137.db2.gz GRHZPVGMCAYQCJ-LBPRGKRZSA-N 0 0 386.249 3.272 20 30 GGEDRN Cc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1c(F)cc(C#N)cc1F)CCC2 ZINC000125315956 564510393 /nfs/dbraw/zinc/51/03/93/564510393.db2.gz TXSBPLGJTLSQBK-AWEZNQCLSA-N 0 0 383.445 3.300 20 30 GGEDRN COCCC1(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCC1 ZINC000125358417 564512222 /nfs/dbraw/zinc/51/22/22/564512222.db2.gz MEHVKWCWTWXBTM-UHFFFAOYSA-N 0 0 376.400 3.062 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccsc2)cc1 ZINC000047166385 564514700 /nfs/dbraw/zinc/51/47/00/564514700.db2.gz NWZPHWPCWIUFLL-KRWDZBQOSA-N 0 0 376.503 3.190 20 30 GGEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000047162448 564514720 /nfs/dbraw/zinc/51/47/20/564514720.db2.gz DJAZSOSTQXTWNZ-LLVKDONJSA-N 0 0 379.247 3.256 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)c1cc(F)c(F)cc1I ZINC000125473645 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Cc1ccc(C(=O)N[C@@H](C)C#N)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000125730382 564524565 /nfs/dbraw/zinc/52/45/65/564524565.db2.gz WTQSHLCMPNDDAV-LBPRGKRZSA-N 0 0 377.853 3.091 20 30 GGEDRN Cc1cccc(S(=O)(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)c1C#N ZINC000125762718 564525731 /nfs/dbraw/zinc/52/57/31/564525731.db2.gz UTMQYZQDEGEJOI-HOCLYGCPSA-N 0 0 376.503 3.205 20 30 GGEDRN N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)CC1 ZINC000125781277 564526623 /nfs/dbraw/zinc/52/66/23/564526623.db2.gz WTMMWBOZPMNJPJ-FGTMMUONSA-N 0 0 388.309 3.204 20 30 GGEDRN Cc1ncccc1C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000125799301 564526651 /nfs/dbraw/zinc/52/66/51/564526651.db2.gz CLHNKQJIJQBHLI-SFHVURJKSA-N 0 0 399.292 3.175 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000125799131 564526733 /nfs/dbraw/zinc/52/67/33/564526733.db2.gz JSGLWJFUEYPRJR-HOTGVXAUSA-N 0 0 376.503 3.205 20 30 GGEDRN N#Cc1ccc(CSc2nnc(NC(=O)NC[C@@H]3CCCO3)s2)cc1 ZINC000047782829 564526906 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GGEDRN CC(C)Oc1ccc(Br)cc1NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000135660136 564838498 /nfs/dbraw/zinc/83/84/98/564838498.db2.gz YTLFFLIKEUJJGE-QGZVFWFLSA-N 0 0 380.286 3.457 20 30 GGEDRN C=CCCO[C@@H](C)C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000069357234 564838986 /nfs/dbraw/zinc/83/89/86/564838986.db2.gz AWHYPTKIGPUECG-NEPJUHHUSA-N 0 0 384.270 3.379 20 30 GGEDRN N#CC1(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)CCCCC1 ZINC000135782342 564840329 /nfs/dbraw/zinc/84/03/29/564840329.db2.gz NHPVONJUDNWQGM-UHFFFAOYSA-N 0 0 394.298 3.155 20 30 GGEDRN COC(=O)[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccc(Br)cc1 ZINC000069514417 564840927 /nfs/dbraw/zinc/84/09/27/564840927.db2.gz VPRIRKMXWPMQES-INIZCTEOSA-N 0 0 387.233 3.159 20 30 GGEDRN COc1ccc(CSc2nc(N)c(C#N)cc2C#N)cc1Br ZINC000069450165 564841021 /nfs/dbraw/zinc/84/10/21/564841021.db2.gz VPELTMYUWUETSY-UHFFFAOYSA-N 0 0 375.251 3.471 20 30 GGEDRN CC[C@H](Cc1ccccc1Br)C(=O)NCC1CCN(CC#N)CC1 ZINC000135863960 564841584 /nfs/dbraw/zinc/84/15/84/564841584.db2.gz INAKCDDUBVENHQ-MRXNPFEDSA-N 0 0 392.341 3.370 20 30 GGEDRN Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2sc(C)c(C)c2C#N)no1 ZINC000069621007 564842692 /nfs/dbraw/zinc/84/26/92/564842692.db2.gz YUAZNSIXCSRPQT-NSHDSACASA-N 0 0 378.479 3.232 20 30 GGEDRN CNC(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2C#N)c(Cl)c1 ZINC000135966392 564842796 /nfs/dbraw/zinc/84/27/96/564842796.db2.gz DKIIQAIDTDNHKM-UHFFFAOYSA-N 0 0 384.244 3.025 20 30 GGEDRN C=CCNC(=O)Nc1cc(I)ccc1Br ZINC000069717531 564843376 /nfs/dbraw/zinc/84/33/76/564843376.db2.gz NSHYDEACRKKCKN-UHFFFAOYSA-N 0 0 381.011 3.361 20 30 GGEDRN C=CCNc1ncc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)s1 ZINC000136073581 564844675 /nfs/dbraw/zinc/84/46/75/564844675.db2.gz VQBYLKWBROTULL-UHFFFAOYSA-N 0 0 376.913 3.352 20 30 GGEDRN C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000069869512 564846271 /nfs/dbraw/zinc/84/62/71/564846271.db2.gz NRTDLUQGHJQIDU-UHFFFAOYSA-N 0 0 384.567 3.184 20 30 GGEDRN CCN(CCC#N)C(=O)Nc1cnc(Br)c(Br)c1 ZINC000136501909 564851739 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564875353 /nfs/dbraw/zinc/87/53/53/564875353.db2.gz VKONZRHJJIUDIT-UHFFFAOYSA-N 0 0 378.778 3.348 20 30 GGEDRN CN(C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1cccc(C#N)c1 ZINC000143618860 564876796 /nfs/dbraw/zinc/87/67/96/564876796.db2.gz ONCHWNWYEOEQFS-CQSZACIVSA-N 0 0 398.260 3.337 20 30 GGEDRN Cn1cc(C#N)c(NC(=O)c2ccc(Br)cc2Br)n1 ZINC000092869382 564882133 /nfs/dbraw/zinc/88/21/33/564882133.db2.gz NMRDCYLMAZAQTO-UHFFFAOYSA-N 0 0 384.031 3.069 20 30 GGEDRN Cc1cc(C(=O)Nc2nc3n(c2C#N)CCS3)c(C)cc1Br ZINC000092831085 564882439 /nfs/dbraw/zinc/88/24/39/564882439.db2.gz KXTYDMWJYQGBDI-UHFFFAOYSA-N 0 0 377.267 3.492 20 30 GGEDRN CCc1nc(CN(C)S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cs1 ZINC000147499064 564882965 /nfs/dbraw/zinc/88/29/65/564882965.db2.gz BOHCVICFQKIIPS-UHFFFAOYSA-N 0 0 389.424 3.417 20 30 GGEDRN N#C[C@H]1CN(Cc2cc(Br)ccc2OCc2ccccn2)CCO1 ZINC000093134657 564883160 /nfs/dbraw/zinc/88/31/60/564883160.db2.gz YKKRCFUCQKLWNA-KRWDZBQOSA-N 0 0 388.265 3.147 20 30 GGEDRN C=CCOc1c(Br)cc(CN2CCO[C@@H](C#N)C2)cc1OCC ZINC000093134999 564883473 /nfs/dbraw/zinc/88/34/73/564883473.db2.gz AVAXUKKGMFGUJA-AWEZNQCLSA-N 0 0 381.270 3.137 20 30 GGEDRN Cc1nn(-c2ccc(C(=O)N(C)C[C@H](C)C#N)cc2)c(C)c1Br ZINC000148138533 564883941 /nfs/dbraw/zinc/88/39/41/564883941.db2.gz DZTUPNWXZFITIZ-LLVKDONJSA-N 0 0 375.270 3.483 20 30 GGEDRN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN1CCO[C@@H](C#N)C1 ZINC000093136094 564884039 /nfs/dbraw/zinc/88/40/39/564884039.db2.gz RDPNLQGXBCJWPT-KRWDZBQOSA-N 0 0 389.297 3.483 20 30 GGEDRN CCOc1cc(CN2CCO[C@@H](C#N)C2)cc(Br)c1OC(F)F ZINC000093136167 564884054 /nfs/dbraw/zinc/88/40/54/564884054.db2.gz PGNJKJJWERKMNC-NSHDSACASA-N 0 0 391.212 3.174 20 30 GGEDRN CN(c1cccc(C#N)c1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000097548723 564908383 /nfs/dbraw/zinc/90/83/83/564908383.db2.gz NXARCNRNSVJEEX-UHFFFAOYSA-N 0 0 396.222 3.054 20 30 GGEDRN CS[C@@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 ZINC000151206619 564909813 /nfs/dbraw/zinc/90/98/13/564909813.db2.gz ATCJCFCSUMBUOZ-MRXNPFEDSA-N 0 0 380.535 3.122 20 30 GGEDRN N#CCc1ccc(OC[C@H](O)CSc2ccc(Br)cn2)cc1 ZINC000098144682 564913400 /nfs/dbraw/zinc/91/34/00/564913400.db2.gz MZKKWDOLZHZPAF-AWEZNQCLSA-N 0 0 379.279 3.442 20 30 GGEDRN N#C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1F ZINC000151290697 564913438 /nfs/dbraw/zinc/91/34/38/564913438.db2.gz QUYXOJSCCMPALL-HNNXBMFYSA-N 0 0 392.184 3.420 20 30 GGEDRN C=CCn1c2ncn(Cc3nc([C@H](C)SCC)no3)c(=O)c2sc1=S ZINC000151307242 564913941 /nfs/dbraw/zinc/91/39/41/564913941.db2.gz LGXAODVYTGKRGT-VIFPVBQESA-N 0 0 395.535 3.420 20 30 GGEDRN N#C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1cccc(Br)c1 ZINC000151307309 564914022 /nfs/dbraw/zinc/91/40/22/564914022.db2.gz VPTQXDONQUVVAV-HNNXBMFYSA-N 0 0 392.184 3.420 20 30 GGEDRN COc1cc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000101517021 564915508 /nfs/dbraw/zinc/91/55/08/564915508.db2.gz CAYLPSZRPRXYNO-ZDUSSCGKSA-N 0 0 390.193 3.361 20 30 GGEDRN CN(CC#N)C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000101515221 564915591 /nfs/dbraw/zinc/91/55/91/564915591.db2.gz VENHCMRHTHIKES-UHFFFAOYSA-N 0 0 386.249 3.226 20 30 GGEDRN N#CC1(NC(=O)c2ccc([N+](=O)[O-])cc2I)CCCCC1 ZINC000101516693 564915667 /nfs/dbraw/zinc/91/56/67/564915667.db2.gz QGYOXEWGBGRCMJ-UHFFFAOYSA-N 0 0 399.188 3.156 20 30 GGEDRN CN(CC#N)C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000101515238 564915749 /nfs/dbraw/zinc/91/57/49/564915749.db2.gz YIXXXOIAIFIOBW-UHFFFAOYSA-N 0 0 386.249 3.226 20 30 GGEDRN CC(C)COC[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000101576878 564918338 /nfs/dbraw/zinc/91/83/38/564918338.db2.gz KNTNPTWHCCLTGN-MRXNPFEDSA-N 0 0 382.869 3.497 20 30 GGEDRN CC(C)CCn1cc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)nn1 ZINC000151470316 564921722 /nfs/dbraw/zinc/92/17/22/564921722.db2.gz KMLYXHUPSJNFKL-AWEZNQCLSA-N 0 0 376.258 3.081 20 30 GGEDRN Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1cccc(C#N)c1 ZINC000101845642 564922782 /nfs/dbraw/zinc/92/27/82/564922782.db2.gz XVSLPCHBXLXIIO-UHFFFAOYSA-N 0 0 386.249 3.388 20 30 GGEDRN Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1ccc(C#N)cc1 ZINC000101845445 564923433 /nfs/dbraw/zinc/92/34/33/564923433.db2.gz HXUFRZYJIVPKAW-UHFFFAOYSA-N 0 0 386.249 3.388 20 30 GGEDRN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1cc(Br)cn1C ZINC000151523488 564924141 /nfs/dbraw/zinc/92/41/41/564924141.db2.gz LYGLSABXDICTCR-LBPRGKRZSA-N 0 0 375.270 3.118 20 30 GGEDRN CNC(=O)CC1S/C(=N/[C@H](C)c2cccs2)N(Cc2ccco2)C1=O ZINC000102199848 564926850 /nfs/dbraw/zinc/92/68/50/564926850.db2.gz GIRGFAJLDQTDBM-ADEIDGNJSA-N 0 0 377.491 3.038 20 30 GGEDRN N#C[C@@H](NC(=O)CNC(=O)CCC1CCCC1)c1cccc(Br)c1 ZINC000102346426 564928515 /nfs/dbraw/zinc/92/85/15/564928515.db2.gz GYGOZLGCTJNNOM-MRXNPFEDSA-N 0 0 392.297 3.217 20 30 GGEDRN CC[C@@H](C#N)NC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000102753440 564934950 /nfs/dbraw/zinc/93/49/50/564934950.db2.gz WFJVENYWKOJVAJ-JTQLQIEISA-N 0 0 382.123 3.342 20 30 GGEDRN CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000151751891 564935376 /nfs/dbraw/zinc/93/53/76/564935376.db2.gz XCKMFJZFKFFQHL-UHFFFAOYSA-N 0 0 383.242 3.281 20 30 GGEDRN CN(Cc1ccccc1Br)S(=O)(=O)c1ccc(F)cc1C#N ZINC000151749438 564935400 /nfs/dbraw/zinc/93/54/00/564935400.db2.gz MMRVNVQFHNOKQP-UHFFFAOYSA-N 0 0 383.242 3.281 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)c1cc(F)c(F)cc1I ZINC000151785583 564937025 /nfs/dbraw/zinc/93/70/25/564937025.db2.gz HHXVUVWBNVIUNG-ZDUSSCGKSA-N 0 0 378.160 3.237 20 30 GGEDRN N#Cc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000102831493 564937379 /nfs/dbraw/zinc/93/73/79/564937379.db2.gz RYLGBYBCULLCMO-ZDUSSCGKSA-N 0 0 384.233 3.312 20 30 GGEDRN N#Cc1cc(NC(=O)Cc2cc3c(cc2Br)OCCO3)ccc1F ZINC000102855932 564937840 /nfs/dbraw/zinc/93/78/40/564937840.db2.gz BLRBIINAHBGVKN-UHFFFAOYSA-N 0 0 391.196 3.412 20 30 GGEDRN CN(C)C(=O)c1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc1 ZINC000102867250 564937904 /nfs/dbraw/zinc/93/79/04/564937904.db2.gz FYFRVPDNERAFBU-MRXNPFEDSA-N 0 0 386.249 3.146 20 30 GGEDRN Cc1nc(C(=O)N[C@]2(C#N)CCSC2)nn1-c1c(Cl)cccc1Cl ZINC000102914802 564938696 /nfs/dbraw/zinc/93/86/96/564938696.db2.gz PAUARSXKVHPYDA-HNNXBMFYSA-N 0 0 382.276 3.012 20 30 GGEDRN Cc1nc(C(=O)N[C@@]2(C#N)CCSC2)nn1-c1c(Cl)cccc1Cl ZINC000102914803 564939093 /nfs/dbraw/zinc/93/90/93/564939093.db2.gz PAUARSXKVHPYDA-OAHLLOKOSA-N 0 0 382.276 3.012 20 30 GGEDRN N#Cc1cc(NCC(=O)Nc2ccccc2I)ccc1F ZINC000102887527 564939178 /nfs/dbraw/zinc/93/91/78/564939178.db2.gz KMGOYJVEVUARBQ-UHFFFAOYSA-N 0 0 395.175 3.353 20 30 GGEDRN N#Cc1ccc(CNS(=O)(=O)c2ccc(Br)c(Cl)c2)cc1 ZINC000151868204 564939337 /nfs/dbraw/zinc/93/93/37/564939337.db2.gz YFLHEINDJZKKSV-UHFFFAOYSA-N 0 0 385.670 3.453 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000151872653 564940108 /nfs/dbraw/zinc/94/01/08/564940108.db2.gz OXNKRMXJXGNPPA-MRXNPFEDSA-N 0 0 380.828 3.113 20 30 GGEDRN CN(CCc1ccc(Br)cc1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000151978388 564942361 /nfs/dbraw/zinc/94/23/61/564942361.db2.gz ZKXKQXMRXBQKKT-UHFFFAOYSA-N 0 0 397.269 3.323 20 30 GGEDRN N#Cc1ccc(CNS(=O)(=O)c2cc(Br)c(F)cc2F)cc1 ZINC000103155360 564943645 /nfs/dbraw/zinc/94/36/45/564943645.db2.gz QQDSAJRIWVENND-UHFFFAOYSA-N 0 0 387.205 3.077 20 30 GGEDRN N#Cc1cc(S(=O)(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)ccc1F ZINC000103156310 564943732 /nfs/dbraw/zinc/94/37/32/564943732.db2.gz IDMSRGKLTSSJED-QGZVFWFLSA-N 0 0 380.828 3.113 20 30 GGEDRN N#Cc1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000103179842 564944534 /nfs/dbraw/zinc/94/45/34/564944534.db2.gz VQKFLWUBRNDUQL-QGZVFWFLSA-N 0 0 399.292 3.399 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000152028671 564945182 /nfs/dbraw/zinc/94/51/82/564945182.db2.gz RLSQZUZVURWFOF-UHFFFAOYSA-N 0 0 390.280 3.203 20 30 GGEDRN CCCCN(CC)C(=O)Cn1cc(C#N)c(=O)c2cc(Br)ccc21 ZINC000103262489 564945599 /nfs/dbraw/zinc/94/55/99/564945599.db2.gz YCZNJDDDYXBHHN-UHFFFAOYSA-N 0 0 390.281 3.284 20 30 GGEDRN N#Cc1cn(Cc2nc(-c3ccco3)no2)c2ccc(Br)cc2c1=O ZINC000103262422 564945710 /nfs/dbraw/zinc/94/57/10/564945710.db2.gz IQBUFPKFRQFAOL-UHFFFAOYSA-N 0 0 397.188 3.327 20 30 GGEDRN CN(C(=O)Cn1cc(C#N)c(=O)c2cc(Br)ccc21)c1ccccc1 ZINC000103262516 564945792 /nfs/dbraw/zinc/94/57/92/564945792.db2.gz YPVPEUQSTZHZAC-UHFFFAOYSA-N 0 0 396.244 3.299 20 30 GGEDRN C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000152181187 564949365 /nfs/dbraw/zinc/94/93/65/564949365.db2.gz ZPWGMVNCJZNSCN-MEDUHNTESA-N 0 0 399.310 3.055 20 30 GGEDRN COCCSc1ccc([C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000103497831 564949623 /nfs/dbraw/zinc/94/96/23/564949623.db2.gz TVOFRWCPOZCGBA-AWEZNQCLSA-N 0 0 376.503 3.336 20 30 GGEDRN C[C@@H](CC#N)N(C)S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000103496217 564949673 /nfs/dbraw/zinc/94/96/73/564949673.db2.gz JSUCYDDIUMOASH-NSHDSACASA-N 0 0 382.379 3.026 20 30 GGEDRN COCCSc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000103497833 564949705 /nfs/dbraw/zinc/94/97/05/564949705.db2.gz TVOFRWCPOZCGBA-CQSZACIVSA-N 0 0 376.503 3.336 20 30 GGEDRN Cc1ccoc1C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000103998848 564953030 /nfs/dbraw/zinc/95/30/30/564953030.db2.gz BYRPHZQALDTICU-INIZCTEOSA-N 0 0 388.265 3.373 20 30 GGEDRN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)CCCC#N ZINC000104106642 564953054 /nfs/dbraw/zinc/95/30/54/564953054.db2.gz AZSUXRRCFLRLCX-UHFFFAOYSA-N 0 0 392.308 3.277 20 30 GGEDRN N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000103999043 564953171 /nfs/dbraw/zinc/95/31/71/564953171.db2.gz GZPQWAPISWASAK-GOSISDBHSA-N 0 0 384.277 3.472 20 30 GGEDRN CCS(=O)(=O)CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000104260709 564953888 /nfs/dbraw/zinc/95/38/88/564953888.db2.gz DZXMNLQQWQUDPN-INIZCTEOSA-N 0 0 376.865 3.369 20 30 GGEDRN CCOC(=O)CN(CC(F)(F)F)C(=O)c1ccc(F)cc1C(F)(F)F ZINC000152332744 564955106 /nfs/dbraw/zinc/95/51/06/564955106.db2.gz NUVPUCZNCAOUMT-UHFFFAOYSA-N 0 0 375.240 3.412 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCC[C@@H]1C ZINC000104617867 564957284 /nfs/dbraw/zinc/95/72/84/564957284.db2.gz RHDXRBCMSWYFCA-SMDDNHRTSA-N 0 0 381.270 3.403 20 30 GGEDRN CC(C)(C#N)CCCNc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000152403318 564958176 /nfs/dbraw/zinc/95/81/76/564958176.db2.gz ZIOVEPOBZXYOQF-UHFFFAOYSA-N 0 0 385.917 3.103 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCc2cc(F)ccc2F)c(C(F)(F)F)c1 ZINC000104752794 564959239 /nfs/dbraw/zinc/95/92/39/564959239.db2.gz GFOREJZSMXSIBE-UHFFFAOYSA-N 0 0 376.306 3.334 20 30 GGEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000104860100 564960901 /nfs/dbraw/zinc/96/09/01/564960901.db2.gz RVLJJKUGFNDZOM-UHFFFAOYSA-N 0 0 398.271 3.438 20 30 GGEDRN Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CCC(C#N)CC1 ZINC000105213405 564963780 /nfs/dbraw/zinc/96/37/80/564963780.db2.gz VSCMPENBCNFNTO-UHFFFAOYSA-N 0 0 393.285 3.031 20 30 GGEDRN Cc1nc(C)c(C#N)c(S[C@H](C(N)=O)c2ccc(Br)cc2)n1 ZINC000105358090 564965425 /nfs/dbraw/zinc/96/54/25/564965425.db2.gz BSAJGAMMBWUTGZ-ZDUSSCGKSA-N 0 0 377.267 3.046 20 30 GGEDRN N#Cc1cccc(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)c1 ZINC000105547019 564968993 /nfs/dbraw/zinc/96/89/93/564968993.db2.gz NRTRSGQYWPKOQY-UHFFFAOYSA-N 0 0 397.232 3.059 20 30 GGEDRN N#Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)c1 ZINC000105838640 564974182 /nfs/dbraw/zinc/97/41/82/564974182.db2.gz SCEKOFHWANJMKK-CYBMUJFWSA-N 0 0 384.233 3.312 20 30 GGEDRN N#Cc1c(N)n[nH]c1CCCNC(=O)Nc1ccc(Cl)cc1Br ZINC000152832879 564974164 /nfs/dbraw/zinc/97/41/64/564974164.db2.gz BMWXGHLNYMTHOU-UHFFFAOYSA-N 0 0 397.664 3.034 20 30 GGEDRN N#C[C@H]1CN(C(=O)c2cccnc2Oc2ccc(Br)cc2)CCO1 ZINC000106048011 564977065 /nfs/dbraw/zinc/97/70/65/564977065.db2.gz NNEIJHZFOKPSEW-AWEZNQCLSA-N 0 0 388.221 3.001 20 30 GGEDRN N#C[C@H]1CN(C(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)CCO1 ZINC000106043581 564977155 /nfs/dbraw/zinc/97/71/55/564977155.db2.gz AULJCHQWSNIMNP-LBPRGKRZSA-N 0 0 377.231 3.497 20 30 GGEDRN N#C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CCO1 ZINC000106047130 564977415 /nfs/dbraw/zinc/97/74/15/564977415.db2.gz UBJBBCISRYBZBB-HNNXBMFYSA-N 0 0 388.221 3.001 20 30 GGEDRN CCc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1ccc(F)c(C#N)c1)CCC2 ZINC000152977122 564979741 /nfs/dbraw/zinc/97/97/41/564979741.db2.gz VINWGZIJINAWAO-OAHLLOKOSA-N 0 0 379.482 3.414 20 30 GGEDRN CCc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1ccc(F)cc1C#N)CCC2 ZINC000152983897 564979901 /nfs/dbraw/zinc/97/99/01/564979901.db2.gz KXBZNLAPRFJNHI-CQSZACIVSA-N 0 0 379.482 3.414 20 30 GGEDRN CCc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1S(C)(=O)=O ZINC000152985867 564980524 /nfs/dbraw/zinc/98/05/24/564980524.db2.gz MNQGWQXPEHRSGB-MRXNPFEDSA-N 0 0 376.865 3.301 20 30 GGEDRN CCc1nc2c(s1)[C@@H](N(C)S(=O)(=O)Cc1cccc(C#N)c1)CCC2 ZINC000153008523 564981204 /nfs/dbraw/zinc/98/12/04/564981204.db2.gz NSTJITKGORPSLL-INIZCTEOSA-N 0 0 375.519 3.416 20 30 GGEDRN C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000153163258 564986613 /nfs/dbraw/zinc/98/66/13/564986613.db2.gz DLFCYYKTACBIRX-MRVPVSSYSA-N 0 0 379.176 3.487 20 30 GGEDRN N#C[C@H]1CN(C(=O)c2ccsc2NC(=O)c2ccccc2Cl)CCO1 ZINC000106775007 564988509 /nfs/dbraw/zinc/98/85/09/564988509.db2.gz RFIHKSAIRGTPMR-NSHDSACASA-N 0 0 375.837 3.018 20 30 GGEDRN 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C[C@@H](C#N)CN(C)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000268612912 565159636 /nfs/dbraw/zinc/15/96/36/565159636.db2.gz WPHZNVCBBRLGPN-AWEZNQCLSA-N 0 0 393.329 3.215 20 30 GGEDRN C=CCC(C)(C)CNC(=O)C(=O)Nc1cc(OC)c(OC)cc1Br ZINC000293298080 565161095 /nfs/dbraw/zinc/16/10/95/565161095.db2.gz HTOIXEJMFNSVMM-UHFFFAOYSA-N 0 0 399.285 3.123 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC(c3ccc(O)cc3)CC2)cc1Cl ZINC000158250837 565162930 /nfs/dbraw/zinc/16/29/30/565162930.db2.gz NBBCNPRVIORWCD-UHFFFAOYSA-N 0 0 376.865 3.486 20 30 GGEDRN CC(C)(C#N)c1ccccc1Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000158276191 565163433 /nfs/dbraw/zinc/16/34/33/565163433.db2.gz NGWAEXHCJJSEJY-UHFFFAOYSA-N 0 0 376.210 3.368 20 30 GGEDRN CN1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)c2cc(F)ccc21 ZINC000184899428 565164662 /nfs/dbraw/zinc/16/46/62/565164662.db2.gz CMNMASMVJQJIBI-UHFFFAOYSA-N 0 0 379.844 3.386 20 30 GGEDRN CS[C@@H]1CCCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000158296481 565165051 /nfs/dbraw/zinc/16/50/51/565165051.db2.gz 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CSC[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000269098141 565177225 /nfs/dbraw/zinc/17/72/25/565177225.db2.gz HARCBMPANRILPQ-KBPBESRZSA-N 0 0 377.535 3.231 20 30 GGEDRN CC(C)(NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000185095279 565177344 /nfs/dbraw/zinc/17/73/44/565177344.db2.gz LZMBMUWSICIFFV-UHFFFAOYSA-N 0 0 379.825 3.333 20 30 GGEDRN Cc1csc(CCCCNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)n1 ZINC000269130672 565179011 /nfs/dbraw/zinc/17/90/11/565179011.db2.gz VCXVOGQHGUHBTQ-UHFFFAOYSA-N 0 0 376.869 3.054 20 30 GGEDRN COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000158717336 565179232 /nfs/dbraw/zinc/17/92/32/565179232.db2.gz BMWCKBOSPNDDID-LLVKDONJSA-N 0 0 378.837 3.038 20 30 GGEDRN Cc1nc(CN2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)cs1 ZINC000269157623 565179689 /nfs/dbraw/zinc/17/96/89/565179689.db2.gz SPJXKZOIYJZQBQ-UHFFFAOYSA-N 0 0 375.885 3.326 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccc(-c2nc[nH]n2)cc1)c1cccc(Br)c1 ZINC000185147901 565181137 /nfs/dbraw/zinc/18/11/37/565181137.db2.gz 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Cn1cc([C@@H](O)C[C@H]2CCCN2c2ccc(C#N)cc2Br)cn1 ZINC000371385420 565191203 /nfs/dbraw/zinc/19/12/03/565191203.db2.gz QYPFBUJQGUHILF-PBHICJAKSA-N 0 0 375.270 3.147 20 30 GGEDRN CC[C@@H](SC)C(=O)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1 ZINC000269472234 565191810 /nfs/dbraw/zinc/19/18/10/565191810.db2.gz JFWOWOSSCWUUDE-OAHLLOKOSA-N 0 0 383.539 3.018 20 30 GGEDRN C=CCN(CCC#N)C(=O)COc1c(Br)cc(C#N)cc1OCC ZINC000293943716 565191915 /nfs/dbraw/zinc/19/19/15/565191915.db2.gz UYXSWKRUCCTWFQ-UHFFFAOYSA-N 0 0 392.253 3.027 20 30 GGEDRN C#CCCCCNC(=O)C(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000159061877 565193249 /nfs/dbraw/zinc/19/32/49/565193249.db2.gz CJQPPJMLMQWXAB-UHFFFAOYSA-N 0 0 381.270 3.095 20 30 GGEDRN CCOc1cc(C#N)cc(Cl)c1OC(=O)CCc1nc(CSC)no1 ZINC000269517963 565193224 /nfs/dbraw/zinc/19/32/24/565193224.db2.gz WSIMVCPUZLOLGF-UHFFFAOYSA-N 0 0 381.841 3.395 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)N2Cc3cccc(Br)c3C2)c1 ZINC000185298092 565194549 /nfs/dbraw/zinc/19/45/49/565194549.db2.gz RDWFAGWOPNEHNO-UHFFFAOYSA-N 0 0 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N#Cc1cccc(CS(=O)(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000160563133 565250901 /nfs/dbraw/zinc/25/09/01/565250901.db2.gz UUSVETBHRKFWIM-MRXNPFEDSA-N 0 0 376.865 3.195 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CCSc3c(F)cccc32)c1 ZINC000160579380 565251266 /nfs/dbraw/zinc/25/12/66/565251266.db2.gz UVISNEMWGJYKHQ-INIZCTEOSA-N 0 0 380.441 3.493 20 30 GGEDRN C=CCN(Cc1nnc(CC)o1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000160612013 565252693 /nfs/dbraw/zinc/25/26/93/565252693.db2.gz BSZQNNLBJQICJI-UHFFFAOYSA-N 0 0 375.372 3.028 20 30 GGEDRN C=CCCCCNC(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000372754027 565253068 /nfs/dbraw/zinc/25/30/68/565253068.db2.gz XLESFHOSJOYBSO-UHFFFAOYSA-N 0 0 377.436 3.135 20 30 GGEDRN N#CCCn1ccc(=NC(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)[nH]1 ZINC000372823953 565255596 /nfs/dbraw/zinc/25/55/96/565255596.db2.gz JWXZJUAFWZPLTG-LBPRGKRZSA-N 0 0 380.235 3.171 20 30 GGEDRN Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cc(C#N)ccc1Br ZINC000372810877 565255609 /nfs/dbraw/zinc/25/56/09/565255609.db2.gz XTPJPJCEVDDGLJ-INIZCTEOSA-N 0 0 375.270 3.234 20 30 GGEDRN N#CC1(NC(=O)c2cc(I)cc(C(F)(F)F)c2)CC1 ZINC000160716526 565257003 /nfs/dbraw/zinc/25/70/03/565257003.db2.gz DOOQLVBSYGAONE-UHFFFAOYSA-N 0 0 380.107 3.096 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000186363051 565257020 /nfs/dbraw/zinc/25/70/20/565257020.db2.gz BBPMGEABDBQVSZ-QGZVFWFLSA-N 0 0 380.828 3.113 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1 ZINC000186361284 565257127 /nfs/dbraw/zinc/25/71/27/565257127.db2.gz BVZDCKROQUQGMM-QGZVFWFLSA-N 0 0 380.828 3.113 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000186363032 565257392 /nfs/dbraw/zinc/25/73/92/565257392.db2.gz BBPMGEABDBQVSZ-KRWDZBQOSA-N 0 0 380.828 3.113 20 30 GGEDRN CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCS(=O)(=O)C1 ZINC000271537917 565257777 /nfs/dbraw/zinc/25/77/77/565257777.db2.gz MAIPKVQELPBNQK-KGLIPLIRSA-N 0 0 381.523 3.122 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)NCc2cc(Br)cs2)c1 ZINC000160788180 565259589 /nfs/dbraw/zinc/25/95/89/565259589.db2.gz AGFURWMBEQLCIJ-UHFFFAOYSA-N 0 0 389.271 3.141 20 30 GGEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[S@@](=O)C[C@H](C)C1 ZINC000372907909 565260100 /nfs/dbraw/zinc/26/01/00/565260100.db2.gz BMLKXGNCJXVXPK-XELLLNAOSA-N 0 0 375.412 3.111 20 30 GGEDRN C=CCN1CC(=O)N(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000372919405 565260552 /nfs/dbraw/zinc/26/05/52/565260552.db2.gz YTFRWKVSLNMVAK-UHFFFAOYSA-N 0 0 382.291 3.408 20 30 GGEDRN N#CC1(NC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)CC1 ZINC000160855377 565262124 /nfs/dbraw/zinc/26/21/24/565262124.db2.gz LYHOISPZDUSXHU-UHFFFAOYSA-N 0 0 398.260 3.416 20 30 GGEDRN CC(C)[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000271643976 565262692 /nfs/dbraw/zinc/26/26/92/565262692.db2.gz GZDUZJFEPQXBBG-JSGCOSHPSA-N 0 0 376.400 3.059 20 30 GGEDRN Cc1csc([C@@H](C)CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n1 ZINC000186486639 565263227 /nfs/dbraw/zinc/26/32/27/565263227.db2.gz UBXOMWSKEBWVDA-VIFPVBQESA-N 0 0 389.424 3.424 20 30 GGEDRN N#Cc1c(F)cccc1C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000186513087 565265423 /nfs/dbraw/zinc/26/54/23/565265423.db2.gz ADCBXISZAWRLJM-JTQLQIEISA-N 0 0 383.206 3.174 20 30 GGEDRN N#C[C@H]1CSCCN1C(=O)c1ccc(I)cc1Cl ZINC000271725604 565265787 /nfs/dbraw/zinc/26/57/87/565265787.db2.gz MJLFNAVFURNLDB-VIFPVBQESA-N 0 0 392.649 3.026 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000160960700 565266534 /nfs/dbraw/zinc/26/65/34/565266534.db2.gz BBTUEMNWGQUJJH-LLVKDONJSA-N 0 0 376.247 3.006 20 30 GGEDRN CN(Cc1cc(Br)ccc1F)S(=O)(=O)CC(C)(C)CC#N ZINC000295457621 565267387 /nfs/dbraw/zinc/26/73/87/565267387.db2.gz PXIFKPRNOKSOGD-UHFFFAOYSA-N 0 0 377.279 3.290 20 30 GGEDRN CCCOc1c(Br)cc(C(=O)N2CCSC[C@H]2C#N)cc1OC ZINC000271759071 565267480 /nfs/dbraw/zinc/26/74/80/565267480.db2.gz VDCMMMLYFAOLFA-GFCCVEGCSA-N 0 0 399.310 3.328 20 30 GGEDRN C=C(C)CNC(=O)[C@H](CCC)NC(=O)NCc1ccc(Br)cc1 ZINC000160995450 565267956 /nfs/dbraw/zinc/26/79/56/565267956.db2.gz BMKSYWMBALYEPW-HNNXBMFYSA-N 0 0 382.302 3.109 20 30 GGEDRN C#CCN(C(=O)CSCC(C)=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000373054889 565268022 /nfs/dbraw/zinc/26/80/22/565268022.db2.gz XEGCXARQUNSAPD-HNNXBMFYSA-N 0 0 396.306 3.057 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000160996222 565268066 /nfs/dbraw/zinc/26/80/66/565268066.db2.gz SWZXSKIZRKXEJV-UHFFFAOYSA-N 0 0 378.186 3.259 20 30 GGEDRN C=C(C)CNC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC000161012191 565268654 /nfs/dbraw/zinc/26/86/54/565268654.db2.gz SWMLRMAYDAXVLD-UHFFFAOYSA-N 0 0 378.881 3.471 20 30 GGEDRN N#Cc1cc(Br)ccc1C(=O)N1CC[C@@H](OCc2ccccn2)C1 ZINC000295546329 565272419 /nfs/dbraw/zinc/27/24/19/565272419.db2.gz UKQVQVCWZQBFSC-MRXNPFEDSA-N 0 0 386.249 3.147 20 30 GGEDRN CC(C)(C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1)C(N)=O ZINC000295546093 565272819 /nfs/dbraw/zinc/27/28/19/565272819.db2.gz JZHUMEFFEVASDU-CQSZACIVSA-N 0 0 378.314 3.434 20 30 GGEDRN N#Cc1cc(Br)cnc1NCc1cccc(CN2CCOCC2)c1 ZINC000295560810 565273256 /nfs/dbraw/zinc/27/32/56/565273256.db2.gz QIXBQXCXHVFULO-UHFFFAOYSA-N 0 0 387.281 3.160 20 30 GGEDRN N#Cc1cc(Br)cnc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000295569844 565273868 /nfs/dbraw/zinc/27/38/68/565273868.db2.gz RBGSYMNSDQNFFG-UHFFFAOYSA-N 0 0 391.244 3.304 20 30 GGEDRN Cc1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)co1 ZINC000186644603 565274496 /nfs/dbraw/zinc/27/44/96/565274496.db2.gz WVYLYYZVRCLQMH-KRWDZBQOSA-N 0 0 388.265 3.373 20 30 GGEDRN CC(C)(C#N)CCN1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000271989171 565274725 /nfs/dbraw/zinc/27/47/25/565274725.db2.gz DLGQRYRYFZMYMJ-UHFFFAOYSA-N 0 0 375.947 3.038 20 30 GGEDRN C=CCN(C(=O)Nc1ccc2nc(SC)sc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000272013056 565274747 /nfs/dbraw/zinc/27/47/47/565274747.db2.gz UEMWBSIOGFERHM-LBPRGKRZSA-N 0 0 397.547 3.225 20 30 GGEDRN N#C[C@H](NC(=O)[C@@H]1CSCN1C(=O)C1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000161191159 565276128 /nfs/dbraw/zinc/27/61/28/565276128.db2.gz TWWHFRJBJNWERV-GJZGRUSLSA-N 0 0 398.315 3.376 20 30 GGEDRN Cc1cc(NC(=O)NCCc2ccc(F)c(Br)c2)nn1CCC#N ZINC000272083587 565276919 /nfs/dbraw/zinc/27/69/19/565276919.db2.gz MCAOVBMBJPGCDE-UHFFFAOYSA-N 0 0 394.248 3.371 20 30 GGEDRN Cc1cc(NC(=O)NCCOc2ccc(Br)cc2)nn1CCC#N ZINC000272105122 565277611 /nfs/dbraw/zinc/27/76/11/565277611.db2.gz PJBZWWDLSLMUSA-UHFFFAOYSA-N 0 0 392.257 3.068 20 30 GGEDRN C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1nccs1 ZINC000186693371 565278382 /nfs/dbraw/zinc/27/83/82/565278382.db2.gz GKJWHRVCTPEKKQ-SECBINFHSA-N 0 0 375.397 3.116 20 30 GGEDRN C=C(C)CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000161278017 565278915 /nfs/dbraw/zinc/27/89/15/565278915.db2.gz OIIKCXXOVOMMLR-AWEZNQCLSA-N 0 0 379.298 3.302 20 30 GGEDRN C[C@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000186720709 565280456 /nfs/dbraw/zinc/28/04/56/565280456.db2.gz HQAGMAQFUKMOKM-CYBMUJFWSA-N 0 0 395.937 3.341 20 30 GGEDRN N#C[C@H]1N(C(=O)c2ccc(Br)cc2O)CCC[C@@]12CCCCO2 ZINC000373379468 565281081 /nfs/dbraw/zinc/28/10/81/565281081.db2.gz WTDXUOLJEBQBLU-WBVHZDCISA-N 0 0 379.254 3.222 20 30 GGEDRN C=CCn1c2ncn(CC(=O)CC[C@H]3CCCCO3)c(=O)c2sc1=S ZINC000295695167 565282006 /nfs/dbraw/zinc/28/20/06/565282006.db2.gz IQHHKWCGABEUAA-CYBMUJFWSA-N 0 0 379.507 3.093 20 30 GGEDRN CN(C)c1ncc(Br)cc1C(=O)N[C@@H](C#N)c1ccccc1F ZINC000161390794 565283172 /nfs/dbraw/zinc/28/31/72/565283172.db2.gz IEGFXZBKYKJDKV-AWEZNQCLSA-N 0 0 377.217 3.044 20 30 GGEDRN N#C[C@H](NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1F ZINC000161406513 565284458 /nfs/dbraw/zinc/28/44/58/565284458.db2.gz SAQLTYQPNRWXGW-INIZCTEOSA-N 0 0 380.828 3.024 20 30 GGEDRN CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000373439771 565285076 /nfs/dbraw/zinc/28/50/76/565285076.db2.gz LXGCTCRADWZSFD-CRAIPNDOSA-N 0 0 392.297 3.013 20 30 GGEDRN C=CCn1c(-c2cccs2)nnc1S(=O)(=O)Cc1nnc(C(C)C)s1 ZINC000295776383 565285748 /nfs/dbraw/zinc/28/57/48/565285748.db2.gz CBTWUYKTPRYHPK-UHFFFAOYSA-N 0 0 395.535 3.141 20 30 GGEDRN C=CCN(C)C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000161576284 565287914 /nfs/dbraw/zinc/28/79/14/565287914.db2.gz RJHKNADKUITUIQ-UHFFFAOYSA-N 0 0 391.320 3.039 20 30 GGEDRN CC[C@@H](Cc1ccccc1Br)N(C)S(=O)(=O)CC1(C#N)CC1 ZINC000186828362 565288873 /nfs/dbraw/zinc/28/88/73/565288873.db2.gz UDQDDVBHDJWYKQ-AWEZNQCLSA-N 0 0 385.327 3.336 20 30 GGEDRN C[C@@H](C(=O)Nc1cccc(I)c1)N1CCC(C)(C#N)CC1 ZINC000272486989 565289311 /nfs/dbraw/zinc/28/93/11/565289311.db2.gz BTBTVZABVFELKQ-LBPRGKRZSA-N 0 0 397.260 3.244 20 30 GGEDRN CCOc1cc(CNS(=O)(=O)CC(C)(C)CC#N)ccc1OC(F)F ZINC000295850976 565290277 /nfs/dbraw/zinc/29/02/77/565290277.db2.gz BZXAFUOEIQXQDZ-UHFFFAOYSA-N 0 0 376.425 3.046 20 30 GGEDRN N#CCN1CCC[C@@H](CNC(=O)c2cc(Cl)c(F)cc2Br)C1 ZINC000295877821 565291644 /nfs/dbraw/zinc/29/16/44/565291644.db2.gz PIFPTKHZUVFKHJ-JTQLQIEISA-N 0 0 388.668 3.207 20 30 GGEDRN C=CCN(C)C(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000161708279 565291779 /nfs/dbraw/zinc/29/17/79/565291779.db2.gz VJRVNKIPDNLTTH-ZDUSSCGKSA-N 0 0 383.261 3.085 20 30 GGEDRN C[C@@H](c1cccc(C#N)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000186859922 565291991 /nfs/dbraw/zinc/29/19/91/565291991.db2.gz HTJYVEAOUKTQKB-AWEZNQCLSA-N 0 0 375.519 3.124 20 30 GGEDRN N#CCCCCNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000186901859 565293825 /nfs/dbraw/zinc/29/38/25/565293825.db2.gz KDTRHVMGQLIEMQ-OAHLLOKOSA-N 0 0 386.901 3.260 20 30 GGEDRN CSCc1cnc(/C=C/C(=O)c2cccc(OCC(=O)N(C)C)c2)s1 ZINC000295921614 565294020 /nfs/dbraw/zinc/29/40/20/565294020.db2.gz MUXGCXLYDLUNTF-BQYQJAHWSA-N 0 0 376.503 3.369 20 30 GGEDRN C=CCN1CCC(NS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000186916929 565294907 /nfs/dbraw/zinc/29/49/07/565294907.db2.gz JECMCBATIWPQOB-UHFFFAOYSA-N 0 0 382.835 3.288 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(CF)CC1 ZINC000296005418 565297323 /nfs/dbraw/zinc/29/73/23/565297323.db2.gz SKSVKHZOXDDLEK-UHFFFAOYSA-N 0 0 399.260 3.306 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000272805562 565297705 /nfs/dbraw/zinc/29/77/05/565297705.db2.gz CDVZKRTYPHNZKZ-UHFFFAOYSA-N 0 0 392.091 3.026 20 30 GGEDRN Cc1cc2cc(C(=O)NC[C@H]3CCCN(CC#N)C3)oc2c(Br)c1 ZINC000272793319 565297891 /nfs/dbraw/zinc/29/78/91/565297891.db2.gz DROZROAMUZKKMS-CYBMUJFWSA-N 0 0 390.281 3.469 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000272820054 565297942 /nfs/dbraw/zinc/29/79/42/565297942.db2.gz FTQUJNSSYDFRAU-UHFFFAOYSA-N 0 0 389.317 3.055 20 30 GGEDRN CN(CC(=O)Nc1ccc(Br)cn1)Cc1ccc(Cl)cc1C#N ZINC000186958202 565297888 /nfs/dbraw/zinc/29/78/88/565297888.db2.gz ROFPMYGGFGKRGA-UHFFFAOYSA-N 0 0 393.672 3.440 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1[C@H](C)CC[C@@H]1C ZINC000161906411 565298138 /nfs/dbraw/zinc/29/81/38/565298138.db2.gz QFRCGSJQTKEHLA-TXEJJXNPSA-N 0 0 381.270 3.498 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC000272813160 565298289 /nfs/dbraw/zinc/29/82/89/565298289.db2.gz DJZIRMJBIZMXLU-GFCCVEGCSA-N 0 0 398.937 3.086 20 30 GGEDRN Cn1ccnc1[C@@H](NS(=O)(=O)CC(C)(C)CC#N)c1ccc(Cl)cc1 ZINC000296021537 565298491 /nfs/dbraw/zinc/29/84/91/565298491.db2.gz RERSBQRNYCICLX-HNNXBMFYSA-N 0 0 380.901 3.022 20 30 GGEDRN Cc1cc(C)n(C[C@@H]2CN(c3ccc(Br)cc3C#N)CCO2)n1 ZINC000272836654 565299022 /nfs/dbraw/zinc/29/90/22/565299022.db2.gz LXZUJKRKCUAVBN-INIZCTEOSA-N 0 0 375.270 3.040 20 30 GGEDRN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2ccc(Br)cc2C#N)C1 ZINC000272835125 565299564 /nfs/dbraw/zinc/29/95/64/565299564.db2.gz LSWYFXZUEVTCMQ-WBMJQRKESA-N 0 0 375.270 3.004 20 30 GGEDRN C=CCOc1c(Br)cc(CN2CCCC[C@H]2C(N)=O)cc1OCC ZINC000162015519 565301349 /nfs/dbraw/zinc/30/13/49/565301349.db2.gz WSOKNVKHAXPWSZ-HNNXBMFYSA-N 0 0 397.313 3.252 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000272913556 565301730 /nfs/dbraw/zinc/30/17/30/565301730.db2.gz DVNJNRGFPVXFCY-GFCCVEGCSA-N 0 0 378.416 3.009 20 30 GGEDRN N#Cc1ccc(NC(=O)CN2CCSC[C@H]2c2nccs2)cc1Cl ZINC000187013308 565302888 /nfs/dbraw/zinc/30/28/88/565302888.db2.gz PCOQKVNQMMSJIK-AWEZNQCLSA-N 0 0 378.910 3.397 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCc3sccc32)c1 ZINC000162053767 565303084 /nfs/dbraw/zinc/30/30/84/565303084.db2.gz JCCIGLVGJLLOEE-MRXNPFEDSA-N 0 0 376.503 3.020 20 30 GGEDRN N#CCC1(CNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000373780674 565303363 /nfs/dbraw/zinc/30/33/63/565303363.db2.gz DYKJUCXVQJBVNI-ZDUSSCGKSA-N 0 0 381.263 3.092 20 30 GGEDRN N#CCSc1ccccc1NC(=O)CN1CCSC[C@H]1c1nccs1 ZINC000187039496 565304332 /nfs/dbraw/zinc/30/43/32/565304332.db2.gz KGKJTBXISWLAQW-AWEZNQCLSA-N 0 0 390.559 3.487 20 30 GGEDRN N#CCCCNC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000273062487 565305319 /nfs/dbraw/zinc/30/53/19/565305319.db2.gz BRUCCOLXGOGSME-LLVKDONJSA-N 0 0 386.304 3.331 20 30 GGEDRN Cc1sc2ncnc(SCC(=O)NC3(C#N)CCSCC3)c2c1C ZINC000162109479 565305251 /nfs/dbraw/zinc/30/52/51/565305251.db2.gz MFAGXQMZJCPSRZ-UHFFFAOYSA-N 0 0 378.548 3.306 20 30 GGEDRN CCN(CCC#N)C(=O)CSc1nnc(-c2ccc(Br)cc2)o1 ZINC000162122284 565305491 /nfs/dbraw/zinc/30/54/91/565305491.db2.gz WGHSHDFQUBHIBK-UHFFFAOYSA-N 0 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QRDBWHHPRMOPPL-CQSZACIVSA-N 0 0 391.294 3.329 20 30 GGEDRN CO[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1(C)C ZINC000296264417 565309481 /nfs/dbraw/zinc/30/94/81/565309481.db2.gz XXXMQCNKPBBYNP-AWEZNQCLSA-N 0 0 376.400 3.013 20 30 GGEDRN COc1cc(OC)c(OC)cc1CNc1ncc(Br)cc1C#N ZINC000296278754 565309536 /nfs/dbraw/zinc/30/95/36/565309536.db2.gz HEHXHUXNQRVTDD-UHFFFAOYSA-N 0 0 378.226 3.354 20 30 GGEDRN COc1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000162226037 565309694 /nfs/dbraw/zinc/30/96/94/565309694.db2.gz SORPQMATALTUOT-CYBMUJFWSA-N 0 0 390.193 3.361 20 30 GGEDRN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCCC#N ZINC000273157468 565310769 /nfs/dbraw/zinc/31/07/69/565310769.db2.gz SOZHHXBMDISSBS-CQSZACIVSA-N 0 0 388.320 3.265 20 30 GGEDRN N#CCCN(Cc1ccccn1)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000187127100 565311221 /nfs/dbraw/zinc/31/12/21/565311221.db2.gz VYSIOMZSHLPUQD-QGZVFWFLSA-N 0 0 378.245 3.432 20 30 GGEDRN CC(C)(C)c1csc(CCNS(=O)(=O)Cc2cc(C#N)ccc2F)n1 ZINC000162260930 565311496 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382.894 3.176 20 30 GGEDRN N#CC1(NC(=O)Cn2c3ccccc3nc2SC(F)F)CCSCC1 ZINC000162480536 565318845 /nfs/dbraw/zinc/31/88/45/565318845.db2.gz BPAJQGCTYMTYEP-UHFFFAOYSA-N 0 0 382.461 3.257 20 30 GGEDRN CCOc1cccc(CNS(=O)(=O)CC(C)(C)CC#N)c1OC(F)F ZINC000296478246 565319107 /nfs/dbraw/zinc/31/91/07/565319107.db2.gz YFRGOWPBWYITPE-UHFFFAOYSA-N 0 0 376.425 3.046 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1cc(Br)c(C)cc1Br ZINC000162563630 565320851 /nfs/dbraw/zinc/32/08/51/565320851.db2.gz OXABFUTUXVUWRF-UHFFFAOYSA-N 0 0 383.105 3.327 20 30 GGEDRN CCc1nc(C(=O)NC2(C#N)CCSCC2)nn1-c1ccccc1Cl ZINC000162555172 565321009 /nfs/dbraw/zinc/32/10/09/565321009.db2.gz DEQHVODFVIIPGI-UHFFFAOYSA-N 0 0 375.885 3.002 20 30 GGEDRN COCc1ccc([C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2C#N)o1 ZINC000162566144 565321121 /nfs/dbraw/zinc/32/11/21/565321121.db2.gz SVPNPHWBPQASLD-OAHLLOKOSA-N 0 0 380.853 3.477 20 30 GGEDRN COCc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)o1 ZINC000162547079 565321395 /nfs/dbraw/zinc/32/13/95/565321395.db2.gz AKPXOOGMCJTTQR-MRXNPFEDSA-N 0 0 380.853 3.477 20 30 GGEDRN Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)Cc1cc(C#N)ccc1F)CCC2 ZINC000162619991 565322238 /nfs/dbraw/zinc/32/22/38/565322238.db2.gz VDLAEZSIZFFNIE-MRXNPFEDSA-N 0 0 379.482 3.302 20 30 GGEDRN N#CC1(NC(=O)c2cnn(-c3cccc(Br)c3)c2)CCSCC1 ZINC000162644017 565323654 /nfs/dbraw/zinc/32/36/54/565323654.db2.gz UAPKRIZRJMVRLS-UHFFFAOYSA-N 0 0 391.294 3.154 20 30 GGEDRN Cc1nnc([C@H](C)NCCC(=O)Nc2sc3c(c2C#N)CCCC3)s1 ZINC000273548681 565325054 /nfs/dbraw/zinc/32/50/54/565325054.db2.gz BPYYVPVFFLETGV-JTQLQIEISA-N 0 0 375.523 3.338 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCCC[C@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000273579936 565326167 /nfs/dbraw/zinc/32/61/67/565326167.db2.gz ANNSEXGHWGBOIS-CYBMUJFWSA-N 0 0 376.400 3.205 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCCC[C@@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000273579938 565326534 /nfs/dbraw/zinc/32/65/34/565326534.db2.gz ANNSEXGHWGBOIS-ZDUSSCGKSA-N 0 0 376.400 3.205 20 30 GGEDRN C=CCN(Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1)Cc1ccc(Cl)s1 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C=CCNC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccsc2Cl)cc1 ZINC000187416440 565331328 /nfs/dbraw/zinc/33/13/28/565331328.db2.gz BAZTXJTYLBCHFT-UHFFFAOYSA-N 0 0 378.841 3.286 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1CC(=O)c1ccco1 ZINC000273717568 565331846 /nfs/dbraw/zinc/33/18/46/565331846.db2.gz GEXLMSCIDJBJSK-AWEZNQCLSA-N 0 0 378.837 3.231 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C)nc1Br ZINC000162967984 565332861 /nfs/dbraw/zinc/33/28/61/565332861.db2.gz RIQMTGDVQZHERZ-UHFFFAOYSA-N 0 0 388.265 3.313 20 30 GGEDRN N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(Br)cc3O)CCO2)c1 ZINC000374357809 565333920 /nfs/dbraw/zinc/33/39/20/565333920.db2.gz LFZHTMHLHMKCNZ-KRWDZBQOSA-N 0 0 387.233 3.240 20 30 GGEDRN COc1ccc(Br)c([C@@H](CO)N(C)C(=O)c2cc(C#N)oc2C)c1 ZINC000296780571 565335859 /nfs/dbraw/zinc/33/58/59/565335859.db2.gz DVSWFMRMIKBVBK-MRXNPFEDSA-N 0 0 393.237 3.036 20 30 GGEDRN N#CCSCc1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1 ZINC000273791217 565336387 /nfs/dbraw/zinc/33/63/87/565336387.db2.gz RNCVAEFLEMQTRS-UHFFFAOYSA-N 0 0 378.262 3.107 20 30 GGEDRN N#C[C@]1(C(=O)NC[C@H](CO)Cc2cccc(Br)c2)CC12CCCC2 ZINC000296797725 565337500 /nfs/dbraw/zinc/33/75/00/565337500.db2.gz QWYGHCRZYMWEIW-BEFAXECRSA-N 0 0 391.309 3.190 20 30 GGEDRN N#CC1(c2ccccn2)CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000374457836 565339857 /nfs/dbraw/zinc/33/98/57/565339857.db2.gz WWKMWGGLGJWWIU-UHFFFAOYSA-N 0 0 397.287 3.029 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000374442242 565339867 /nfs/dbraw/zinc/33/98/67/565339867.db2.gz VCGPCNBISXWFHN-HIFRSBDPSA-N 0 0 378.523 3.160 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000374442244 565340154 /nfs/dbraw/zinc/34/01/54/565340154.db2.gz VCGPCNBISXWFHN-ZFWWWQNUSA-N 0 0 378.523 3.160 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1Cl ZINC000374458357 565340163 /nfs/dbraw/zinc/34/01/63/565340163.db2.gz JTKYUISUGPFZBL-UHFFFAOYSA-N 0 0 375.881 3.290 20 30 GGEDRN N#CC1(c2ccccn2)CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000374454045 565340550 /nfs/dbraw/zinc/34/05/50/565340550.db2.gz UFAUGDGMNYGUAQ-UHFFFAOYSA-N 0 0 384.277 3.471 20 30 GGEDRN N#CC1(c2ccccn2)CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000374458448 565340593 /nfs/dbraw/zinc/34/05/93/565340593.db2.gz KHDNCFCBTMDKPQ-UHFFFAOYSA-N 0 0 379.844 3.120 20 30 GGEDRN Cc1ccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c(Br)n1 ZINC000374462854 565340956 /nfs/dbraw/zinc/34/09/56/565340956.db2.gz PEHUZDBNYQMDKV-UHFFFAOYSA-N 0 0 385.265 3.245 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000163287252 565342755 /nfs/dbraw/zinc/34/27/55/565342755.db2.gz NWODANAFTVNALE-YOEHRIQHSA-N 0 0 376.865 3.410 20 30 GGEDRN N#Cc1c(F)cccc1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000187583506 565343146 /nfs/dbraw/zinc/34/31/46/565343146.db2.gz RZDKDGUNGCQNMS-CYBMUJFWSA-N 0 0 388.240 3.469 20 30 GGEDRN C[C@H](CC#N)N(C)S(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000374534201 565344717 /nfs/dbraw/zinc/34/47/17/565344717.db2.gz CJUWIEOKMGARIM-MLGOLLRUSA-N 0 0 381.548 3.236 20 30 GGEDRN CC(C)n1cnnc1[C@@H]1CCCN(c2ncc(Br)cc2C#N)C1 ZINC000296913161 565345570 /nfs/dbraw/zinc/34/55/70/565345570.db2.gz AGJDGOPIURDZKF-GFCCVEGCSA-N 0 0 375.274 3.272 20 30 GGEDRN C=CCn1c(=O)[nH]nc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000163477407 565346120 /nfs/dbraw/zinc/34/61/20/565346120.db2.gz GSSICGPNBNBWNZ-UHFFFAOYSA-N 0 0 392.790 3.160 20 30 GGEDRN C#C[C@@H](C)N1C(=O)[C@H](CC(=O)NC)S/C1=N\c1ccc(Cl)cc1Cl ZINC000187706281 565350140 /nfs/dbraw/zinc/35/01/40/565350140.db2.gz JEHFZEPILIHSGI-LWEGZEEBSA-N 0 0 384.288 3.083 20 30 GGEDRN C=CCn1c(=O)[nH]nc1SCc1ncc(-c2ccc(Br)cc2)o1 ZINC000163696901 565350193 /nfs/dbraw/zinc/35/01/93/565350193.db2.gz MJKULEQQLXCGHH-UHFFFAOYSA-N 0 0 393.266 3.467 20 30 GGEDRN N#CC1(C(=O)N2CC=C(c3cccc(Br)c3)CC2)CCOCC1 ZINC000273988546 565350571 /nfs/dbraw/zinc/35/05/71/565350571.db2.gz ZVBWVOKMUJFLBV-UHFFFAOYSA-N 0 0 375.266 3.385 20 30 GGEDRN CO[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1cccc(Cl)c1 ZINC000163981674 565353644 /nfs/dbraw/zinc/35/36/44/565353644.db2.gz BDTZKIIWAHDPQD-KRWDZBQOSA-N 0 0 382.844 3.158 20 30 GGEDRN CO[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1cccc(Cl)c1 ZINC000163981767 565353653 /nfs/dbraw/zinc/35/36/53/565353653.db2.gz BDTZKIIWAHDPQD-QGZVFWFLSA-N 0 0 382.844 3.158 20 30 GGEDRN Cc1cc(Br)ccc1NC(=O)C(=O)N(CCC#N)Cc1ccco1 ZINC000164186006 565356506 /nfs/dbraw/zinc/35/65/06/565356506.db2.gz NWCBODDVRFTREH-UHFFFAOYSA-N 0 0 390.237 3.232 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000164188061 565356519 /nfs/dbraw/zinc/35/65/19/565356519.db2.gz FEDXAPXKWPDECB-UHFFFAOYSA-N 0 0 382.482 3.059 20 30 GGEDRN N#CCCCCNC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000187801442 565356940 /nfs/dbraw/zinc/35/69/40/565356940.db2.gz DAFPKLBCOWCZQY-OAHLLOKOSA-N 0 0 384.249 3.365 20 30 GGEDRN Cc1ccc(Br)c(NC(=O)C(=O)N(CCC#N)Cc2ccco2)c1 ZINC000164199918 565358006 /nfs/dbraw/zinc/35/80/06/565358006.db2.gz RRDMGPFIMFOEIK-UHFFFAOYSA-N 0 0 390.237 3.232 20 30 GGEDRN CN(C[C@H](O)c1ccccc1Br)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000297141461 565358003 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C=C[C@@](C)(CCOC)C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000187960136 565366534 /nfs/dbraw/zinc/36/65/34/565366534.db2.gz NGUSGNYGEZUYNO-SFHVURJKSA-N 0 0 397.313 3.383 20 30 GGEDRN COc1ccc(Br)cc1[C@H]1CCCN1S(=O)(=O)CC1(C#N)CC1 ZINC000165092614 565368240 /nfs/dbraw/zinc/36/82/40/565368240.db2.gz NVPIJKCOAMGAEH-CQSZACIVSA-N 0 0 399.310 3.228 20 30 GGEDRN CCCS(=O)(=O)N1CCC(Nc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000165693436 565371111 /nfs/dbraw/zinc/37/11/11/565371111.db2.gz LXVPOUURPZYLGN-UHFFFAOYSA-N 0 0 375.416 3.193 20 30 GGEDRN COC[C@H]1CCCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000375138852 565371212 /nfs/dbraw/zinc/37/12/12/565371212.db2.gz FUCHWRLWMAUZSD-ZDUSSCGKSA-N 0 0 376.400 3.014 20 30 GGEDRN CCOc1ccc(NC(=O)C(=O)Nc2ccc(C#N)cc2)cc1Br ZINC000188011512 565371284 /nfs/dbraw/zinc/37/12/84/565371284.db2.gz VRWWAABLSLALES-UHFFFAOYSA-N 0 0 388.221 3.297 20 30 GGEDRN C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 ZINC000188027832 565372142 /nfs/dbraw/zinc/37/21/42/565372142.db2.gz 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ZINC000166098781 565373173 /nfs/dbraw/zinc/37/31/73/565373173.db2.gz FZPHZZDPPNYLMK-UHFFFAOYSA-N 0 0 397.338 3.484 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC(F)(c3cccnc3)CC2)c1 ZINC000375188492 565373884 /nfs/dbraw/zinc/37/38/84/565373884.db2.gz PDHVWZPSVMRYKK-UHFFFAOYSA-N 0 0 379.844 3.256 20 30 GGEDRN COc1cc(I)ccc1NC(=O)N(CCC#N)CC1CC1 ZINC000297504040 565374457 /nfs/dbraw/zinc/37/44/57/565374457.db2.gz UXAUNPHTXKNNOI-UHFFFAOYSA-N 0 0 399.232 3.457 20 30 GGEDRN CCOC(=O)CCN(Cc1cccnc1)c1ncc(Br)cc1C#N ZINC000297529646 565375430 /nfs/dbraw/zinc/37/54/30/565375430.db2.gz PBOYFLSTRBFGCL-UHFFFAOYSA-N 0 0 389.253 3.071 20 30 GGEDRN CCc1cnc(CNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)s1 ZINC000297508825 565375589 /nfs/dbraw/zinc/37/55/89/565375589.db2.gz UTZNGNMRXRBQSZ-UHFFFAOYSA-N 0 0 376.507 3.191 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000166916266 565377076 /nfs/dbraw/zinc/37/70/76/565377076.db2.gz YEEREMXLCXAUFL-UHFFFAOYSA-N 0 0 389.882 3.466 20 30 GGEDRN 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/nfs/dbraw/zinc/38/23/72/565382372.db2.gz CAPCROOYBGAKJO-UHFFFAOYSA-N 0 0 375.881 3.280 20 30 GGEDRN C[C@@H]1CCc2sc(NC(=O)CC3(CS(C)(=O)=O)CC3)c(C#N)c2[C@H]1C ZINC000297698638 565382962 /nfs/dbraw/zinc/38/29/62/565382962.db2.gz FSHGYRKAJJPQDQ-NEPJUHHUSA-N 0 0 380.535 3.459 20 30 GGEDRN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000297715785 565383095 /nfs/dbraw/zinc/38/30/95/565383095.db2.gz GQGJHEWPLQTZFN-SNVBAGLBSA-N 0 0 375.270 3.488 20 30 GGEDRN C[C@@H]1CCc2sc(NC(=O)C[C@H]3CCCS(=O)(=O)C3)c(C#N)c2[C@@H]1C ZINC000297752497 565385171 /nfs/dbraw/zinc/38/51/71/565385171.db2.gz IOOTUMZZOJWMTB-JHJVBQTASA-N 0 0 380.535 3.459 20 30 GGEDRN C=CCCN(C)C(=O)C(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000297756497 565385539 /nfs/dbraw/zinc/38/55/39/565385539.db2.gz ISUYMQKVKGLWLT-UHFFFAOYSA-N 0 0 375.519 3.099 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N(Cc2cccc(Br)c2)C2CC2)cn1 ZINC000170659998 565386094 /nfs/dbraw/zinc/38/60/94/565386094.db2.gz UNSNZNPTMSVZOE-UHFFFAOYSA-N 0 0 392.278 3.069 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000297778354 565386383 /nfs/dbraw/zinc/38/63/83/565386383.db2.gz GMKFYZHTBLRLGU-CYBMUJFWSA-N 0 0 384.929 3.190 20 30 GGEDRN CNC(=O)CC1S/C(=N\[C@H](C)c2cccs2)N(CCC(C)(F)F)C1=O ZINC000297778160 565386471 /nfs/dbraw/zinc/38/64/71/565386471.db2.gz JWFWKLJUHINNBL-KLGUBCMXSA-N 0 0 389.493 3.291 20 30 GGEDRN CNC(=O)CC1S/C(=N\[C@H](C)c2cccs2)N(CCC(C)(F)F)C1=O ZINC000297778156 565386666 /nfs/dbraw/zinc/38/66/66/565386666.db2.gz JWFWKLJUHINNBL-FPPXGGCDSA-N 0 0 389.493 3.291 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)NC2(c3ccc(Br)cc3)CC2)c1 ZINC000170690846 565386587 /nfs/dbraw/zinc/38/65/87/565386587.db2.gz VZOJZMLOOWNPPO-UHFFFAOYSA-N 0 0 391.290 3.429 20 30 GGEDRN C=CCn1c(SCCN2CCO[C@@H](C)C2)nc2cc(Cl)ccc2c1=O ZINC000188188202 565386688 /nfs/dbraw/zinc/38/66/88/565386688.db2.gz MWRZWWDKGSMHRH-ZDUSSCGKSA-N 0 0 379.913 3.049 20 30 GGEDRN N#Cc1cc(NC(=O)CCS(=O)(=O)C2CCCC2)ccc1Br ZINC000297785750 565386812 /nfs/dbraw/zinc/38/68/12/565386812.db2.gz 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C#C[C@H](C)NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000188279133 565391944 /nfs/dbraw/zinc/39/19/44/565391944.db2.gz VEPMCJUQKNNRCL-FZMZJTMJSA-N 0 0 389.253 3.367 20 30 GGEDRN Cc1nc(C)c(CCC(=O)Nc2ccc(Br)c(C#N)c2)c(=O)[nH]1 ZINC000297950999 565393846 /nfs/dbraw/zinc/39/38/46/565393846.db2.gz UWHJWQGSGKSUGK-UHFFFAOYSA-N 0 0 375.226 3.005 20 30 GGEDRN N#Cc1cccc([C@@H]2CN(C(=O)Nc3cccc(Br)n3)CCO2)c1 ZINC000375558410 565394763 /nfs/dbraw/zinc/39/47/63/565394763.db2.gz RAXQIVQFOLXJQK-AWEZNQCLSA-N 0 0 387.237 3.321 20 30 GGEDRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1cccc(C#N)c1 ZINC000188339380 565397050 /nfs/dbraw/zinc/39/70/50/565397050.db2.gz RRAHLBKISQBEQA-SCLBCKFNSA-N 0 0 376.865 3.362 20 30 GGEDRN N#CCCCCNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000170878819 565397379 /nfs/dbraw/zinc/39/73/79/565397379.db2.gz RNBNXCCAXFKVSB-AWEZNQCLSA-N 0 0 379.302 3.268 20 30 GGEDRN N#CC1(CS(=O)(=O)N(Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000188358114 565397763 /nfs/dbraw/zinc/39/77/63/565397763.db2.gz PPWKOHLYERPUJX-UHFFFAOYSA-N 0 0 383.311 3.295 20 30 GGEDRN COC[C@@H](Cc1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000188365228 565397679 /nfs/dbraw/zinc/39/76/79/565397679.db2.gz BOXFIZJVFRKFGK-QGZVFWFLSA-N 0 0 378.881 3.090 20 30 GGEDRN N#C[C@@H]1CN(C(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)CCO1 ZINC000188366085 565397739 /nfs/dbraw/zinc/39/77/39/565397739.db2.gz PHGUPMZCAIMMOT-CVEARBPZSA-N 0 0 396.260 3.363 20 30 GGEDRN N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)cc1O ZINC000188387037 565398955 /nfs/dbraw/zinc/39/89/55/565398955.db2.gz DFQVRCQATAEIBU-AWEZNQCLSA-N 0 0 386.249 3.035 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)Oc2cccc3c2CCCC(=O)N3)c1 ZINC000375644149 565399048 /nfs/dbraw/zinc/39/90/48/565399048.db2.gz ZPAHRMPISDLUJN-UHFFFAOYSA-N 0 0 376.821 3.254 20 30 GGEDRN COc1ccc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1C#N)CCC2=O ZINC000375681855 565399956 /nfs/dbraw/zinc/39/99/56/565399956.db2.gz ZPVASRHFDBFRHU-UHFFFAOYSA-N 0 0 376.821 3.002 20 30 GGEDRN Cc1ccc2c(ncc(C#N)c2N2CC[C@@H](n3cncn3)C2)c1Br ZINC000375656622 565399964 /nfs/dbraw/zinc/39/99/64/565399964.db2.gz IWIMOVVRVOHHRP-CYBMUJFWSA-N 0 0 383.253 3.220 20 30 GGEDRN N#Cc1ccc(CNC(=O)c2cnn(-c3cccc(Br)c3)c2)cc1 ZINC000170943529 565400428 /nfs/dbraw/zinc/40/04/28/565400428.db2.gz KZBQWVLAWOCJJQ-UHFFFAOYSA-N 0 0 381.233 3.436 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000188439886 565400954 /nfs/dbraw/zinc/40/09/54/565400954.db2.gz ZUKXPOCPPGOBFD-SJKOYZFVSA-N 0 0 376.280 3.078 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000298138616 565400935 /nfs/dbraw/zinc/40/09/35/565400935.db2.gz AGEOVOOTMALRNM-XYPHTWIQSA-N 0 0 397.313 3.105 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000188421202 565401476 /nfs/dbraw/zinc/40/14/76/565401476.db2.gz QPCBCHPFDMSZLV-KRWDZBQOSA-N 0 0 393.285 3.256 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000188439860 565401493 /nfs/dbraw/zinc/40/14/93/565401493.db2.gz ZUKXPOCPPGOBFD-PXAZEXFGSA-N 0 0 376.280 3.078 20 30 GGEDRN C=C[C@@](C)(CC)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000188460586 565402519 /nfs/dbraw/zinc/40/25/19/565402519.db2.gz LKDAULFOVCRIJM-SFHVURJKSA-N 0 0 384.567 3.184 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)cc1Cl ZINC000171041389 565403894 /nfs/dbraw/zinc/40/38/94/565403894.db2.gz NIFJSMFIZHNXKM-MSOLQXFVSA-N 0 0 376.865 3.410 20 30 GGEDRN C=CCNc1ncc(C(=O)N(C)C[C@H](O)c2cccc(Br)c2)s1 ZINC000298229361 565405174 /nfs/dbraw/zinc/40/51/74/565405174.db2.gz IFAXFMVZIDDCNQ-ZDUSSCGKSA-N 0 0 396.310 3.309 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000188526079 565406533 /nfs/dbraw/zinc/40/65/33/565406533.db2.gz NOIDGQLIKTXTHN-CRAIPNDOSA-N 0 0 381.314 3.373 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)C[C@@H]1CCCO1 ZINC000171098517 565409055 /nfs/dbraw/zinc/40/90/55/565409055.db2.gz XUUNFOBMRUBIDX-AWEZNQCLSA-N 0 0 392.290 3.085 20 30 GGEDRN N#CCCCS(=O)(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000188604302 565412926 /nfs/dbraw/zinc/41/29/26/565412926.db2.gz ZCCNBNZNXMKXTD-ZDUSSCGKSA-N 0 0 376.309 3.185 20 30 GGEDRN C[C@H](Sc1nnc(Cc2c(F)cccc2Cl)o1)C(=O)N(C)CCC#N ZINC000171160913 565414442 /nfs/dbraw/zinc/41/44/42/565414442.db2.gz JHRDKWPHBQWMRS-JTQLQIEISA-N 0 0 382.848 3.306 20 30 GGEDRN C=CCn1c(SC[C@H](O)COCC(C)C)nc2sc(C)c(C)c2c1=O ZINC000171170891 565415218 /nfs/dbraw/zinc/41/52/18/565415218.db2.gz DOTHFFUBTZVBNT-CQSZACIVSA-N 0 0 382.551 3.386 20 30 GGEDRN C=CCn1c(SC[C@@H](O)COCC(C)C)nc2sc(C)c(C)c2c1=O ZINC000171170896 565415471 /nfs/dbraw/zinc/41/54/71/565415471.db2.gz DOTHFFUBTZVBNT-AWEZNQCLSA-N 0 0 382.551 3.386 20 30 GGEDRN Cc1nc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)ccc1C#N ZINC000171202911 565416865 /nfs/dbraw/zinc/41/68/65/565416865.db2.gz VRNYTYMHJJLBQH-OAHLLOKOSA-N 0 0 385.265 3.033 20 30 GGEDRN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CSCC#N ZINC000298487835 565417060 /nfs/dbraw/zinc/41/70/60/565417060.db2.gz IKZKFIAHHZUBJL-UHFFFAOYSA-N 0 0 379.791 3.012 20 30 GGEDRN Cc1cc(=NC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)[nH]n1CCC#N ZINC000375998017 565417856 /nfs/dbraw/zinc/41/78/56/565417856.db2.gz DWRHUCGZORGGHF-LPHOPBHVSA-N 0 0 399.292 3.132 20 30 GGEDRN Cc1cc(=NC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)[nH]n1CCC#N ZINC000375998018 565418157 /nfs/dbraw/zinc/41/81/57/565418157.db2.gz DWRHUCGZORGGHF-QFBILLFUSA-N 0 0 399.292 3.132 20 30 GGEDRN CN(C[C@H](O)c1cccc(Br)c1)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000298555515 565420080 /nfs/dbraw/zinc/42/00/80/565420080.db2.gz ZJGKLRXKFAACBQ-MAUKXSAKSA-N 0 0 377.282 3.415 20 30 GGEDRN CN(C[C@H](O)c1cccc(Br)c1)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000298555520 565420548 /nfs/dbraw/zinc/42/05/48/565420548.db2.gz ZJGKLRXKFAACBQ-YJBOKZPZSA-N 0 0 377.282 3.415 20 30 GGEDRN CN(C[C@@H](O)c1cccc(Br)c1)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000298555518 565420790 /nfs/dbraw/zinc/42/07/90/565420790.db2.gz ZJGKLRXKFAACBQ-QAPCUYQASA-N 0 0 377.282 3.415 20 30 GGEDRN C[C@@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)cn1 ZINC000298595030 565421921 /nfs/dbraw/zinc/42/19/21/565421921.db2.gz RZNQJHYLANXTSN-SJKOYZFVSA-N 0 0 385.265 3.172 20 30 GGEDRN Cc1ccc(Br)nc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000188767475 565423391 /nfs/dbraw/zinc/42/33/91/565423391.db2.gz CJEFNMKZCMAXBP-MRXNPFEDSA-N 0 0 399.292 3.175 20 30 GGEDRN COc1cc(Br)c(/C=C2/CCc3c(cnn3C)C2=O)cc1OC ZINC000298656234 565423973 /nfs/dbraw/zinc/42/39/73/565423973.db2.gz PTZMORCJYXNUOX-POHAHGRESA-N 0 0 377.238 3.412 20 30 GGEDRN N#Cc1ccc(C(=O)Cn2c(=O)onc2-c2cccc(Br)c2)cc1 ZINC000171292262 565424060 /nfs/dbraw/zinc/42/40/60/565424060.db2.gz NFKSFRXYYSAXOT-UHFFFAOYSA-N 0 0 384.189 3.020 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1nc(Br)sc1C ZINC000298650551 565424170 /nfs/dbraw/zinc/42/41/70/565424170.db2.gz QHPJXQPSBPVKOE-UHFFFAOYSA-N 0 0 394.294 3.375 20 30 GGEDRN CS(=O)(=O)C[C@H]1CCCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000298688168 565424757 /nfs/dbraw/zinc/42/47/57/565424757.db2.gz BZLIKZOLZOEHIK-NSHDSACASA-N 0 0 381.860 3.160 20 30 GGEDRN CS(=O)(=O)C[C@@H]1CCCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000298688150 565424988 /nfs/dbraw/zinc/42/49/88/565424988.db2.gz BZLIKZOLZOEHIK-LLVKDONJSA-N 0 0 381.860 3.160 20 30 GGEDRN CCn1cc(Br)cc1C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000171300777 565425325 /nfs/dbraw/zinc/42/53/25/565425325.db2.gz PKDUCXROHKHKEH-UHFFFAOYSA-N 0 0 387.281 3.105 20 30 GGEDRN COc1cc(Br)c(CNC(=O)Cc2ccc(C#N)cc2)cc1OC ZINC000171312637 565425354 /nfs/dbraw/zinc/42/53/54/565425354.db2.gz RALFBVGQLOATKC-UHFFFAOYSA-N 0 0 389.249 3.197 20 30 GGEDRN C[C@H](N[C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Br)cn1 ZINC000298698170 565426046 /nfs/dbraw/zinc/42/60/46/565426046.db2.gz ZSEUHDWFLKHTON-HZMBPMFUSA-N 0 0 391.294 3.233 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc2c(s1)CSCC2 ZINC000376188453 565426476 /nfs/dbraw/zinc/42/64/76/565426476.db2.gz PZYXKTWXMKZAHI-UHFFFAOYSA-N 0 0 375.523 3.231 20 30 GGEDRN COc1nc(C)c(Br)cc1C(=O)N(CCC#N)Cc1ccco1 ZINC000188848013 565428025 /nfs/dbraw/zinc/42/80/25/565428025.db2.gz NCVNDTUTGUOZBD-UHFFFAOYSA-N 0 0 378.226 3.310 20 30 GGEDRN CCN(CC)S(=O)(=O)c1cc(NC(=O)NCCCCC#N)ccc1Cl ZINC000171360870 565428677 /nfs/dbraw/zinc/42/86/77/565428677.db2.gz UYGOVYHPKPRGQE-UHFFFAOYSA-N 0 0 386.905 3.186 20 30 GGEDRN CNC(=O)CC1S/C(=N/c2cccc(Cl)c2)N(CCCCC#N)C1=O ZINC000171417058 565430412 /nfs/dbraw/zinc/43/04/12/565430412.db2.gz ZGFBXWQZWJCJDP-HGNXGAGXSA-N 0 0 378.885 3.101 20 30 GGEDRN CNC(=O)CC1S/C(=N/c2cccc(Cl)c2)N(CCCCC#N)C1=O ZINC000171417054 565430734 /nfs/dbraw/zinc/43/07/34/565430734.db2.gz ZGFBXWQZWJCJDP-LQFHHUIYSA-N 0 0 378.885 3.101 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccc(N2CCCC2)nc1)c1cccc(Br)c1 ZINC000171406290 565430909 /nfs/dbraw/zinc/43/09/09/565430909.db2.gz WCWXBTUURVHBPP-MRXNPFEDSA-N 0 0 385.265 3.439 20 30 GGEDRN N#C[C@@H]1N(S(=O)(=O)c2c(Cl)ccc(F)c2F)CCC[C@]12CCCCO2 ZINC000376344149 565432222 /nfs/dbraw/zinc/43/22/22/565432222.db2.gz OJBWZHQUBIDTDV-XJKSGUPXSA-N 0 0 390.839 3.234 20 30 GGEDRN C=CCn1c(SC[C@@H]2CNC(=O)O2)nnc1-c1ccc(Br)cc1 ZINC000298875688 565433332 /nfs/dbraw/zinc/43/33/32/565433332.db2.gz XXPMHQRHGOKJND-LBPRGKRZSA-N 0 0 395.282 3.094 20 30 GGEDRN CCC(CC)N1C[C@H](C(=O)N[C@@H](C#N)c2cccc(Br)c2)CC1=O ZINC000171483808 565433587 /nfs/dbraw/zinc/43/35/87/565433587.db2.gz XZECYFMUKWQHFL-CJNGLKHVSA-N 0 0 392.297 3.167 20 30 GGEDRN CCC(CC)N1C[C@@H](C(=O)N[C@@H](C#N)c2cccc(Br)c2)CC1=O ZINC000171483811 565434003 /nfs/dbraw/zinc/43/40/03/565434003.db2.gz XZECYFMUKWQHFL-BBRMVZONSA-N 0 0 392.297 3.167 20 30 GGEDRN CCOCCO[C@H](C)C(=O)Oc1c(Br)cc(C#N)cc1OCC ZINC000298943294 565434185 /nfs/dbraw/zinc/43/41/85/565434185.db2.gz HQTGCBHCLXSQOX-LLVKDONJSA-N 0 0 386.242 3.066 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1)C1CC1 ZINC000276042037 565434310 /nfs/dbraw/zinc/43/43/10/565434310.db2.gz JHSNXJGEENUCGR-UHFFFAOYSA-N 0 0 387.263 3.134 20 30 GGEDRN N#CCCN(CC1CC1)C(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000276092478 565435509 /nfs/dbraw/zinc/43/55/09/565435509.db2.gz YQKFWENLJPNHKS-UHFFFAOYSA-N 0 0 375.519 3.256 20 30 GGEDRN Cc1cc(NC(=O)NCc2cccc(C)c2Br)nn1CCC#N ZINC000276127455 565436420 /nfs/dbraw/zinc/43/64/20/565436420.db2.gz CDPPUWCWAVXLMQ-UHFFFAOYSA-N 0 0 376.258 3.498 20 30 GGEDRN C=CCN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000299019012 565436748 /nfs/dbraw/zinc/43/67/48/565436748.db2.gz IBGGPIUAMPUSTB-AWEZNQCLSA-N 0 0 396.921 3.279 20 30 GGEDRN C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000171549651 565437118 /nfs/dbraw/zinc/43/71/18/565437118.db2.gz OIENEBRWWKJPOT-MRVPVSSYSA-N 0 0 392.175 3.167 20 30 GGEDRN Cc1ccsc1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000299053482 565437968 /nfs/dbraw/zinc/43/79/68/565437968.db2.gz MBFKWKHHFHHWAV-CYVLTUHYSA-N 0 0 377.491 3.122 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1)C1CC1 ZINC000276169829 565438797 /nfs/dbraw/zinc/43/87/97/565438797.db2.gz SHUWAECZVGKNDB-UHFFFAOYSA-N 0 0 379.913 3.009 20 30 GGEDRN N#CCCCCNC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000171592521 565439393 /nfs/dbraw/zinc/43/93/93/565439393.db2.gz NPADGDPQAWCYAM-UHFFFAOYSA-N 0 0 392.175 3.216 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1)C1CC1 ZINC000276215768 565439910 /nfs/dbraw/zinc/43/99/10/565439910.db2.gz WPLDHUALBUOHJJ-UHFFFAOYSA-N 0 0 392.297 3.165 20 30 GGEDRN N#Cc1cc(Br)ccc1CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000376546682 565442349 /nfs/dbraw/zinc/44/23/49/565442349.db2.gz QMQXQHJXKLLFSY-AWEZNQCLSA-N 0 0 386.297 3.238 20 30 GGEDRN C#CCN(CC)C(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000299207288 565443816 /nfs/dbraw/zinc/44/38/16/565443816.db2.gz RPKIIEDTMHHGKF-LBPRGKRZSA-N 0 0 385.316 3.393 20 30 GGEDRN N#Cc1cc(I)c(OCC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000189110378 565444076 /nfs/dbraw/zinc/44/40/76/565444076.db2.gz JHSHQPCVEWKMPC-SNVBAGLBSA-N 0 0 388.161 3.019 20 30 GGEDRN C=CCCN(C)C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000276323372 565444323 /nfs/dbraw/zinc/44/43/23/565444323.db2.gz XTAXNUMHPJMERX-UHFFFAOYSA-N 0 0 382.302 3.015 20 30 GGEDRN Cn1ccnc1[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000376597762 565444730 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RDLQPIAFCVJHFS-LBPRGKRZSA-N 0 0 378.274 3.094 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000278432425 565558974 /nfs/dbraw/zinc/55/89/74/565558974.db2.gz SHEIEKAIPDCWSK-VIFPVBQESA-N 0 0 375.397 3.382 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)CCNCc2cc(F)ccc2Br)cc1 ZINC000391190486 565559748 /nfs/dbraw/zinc/55/97/48/565559748.db2.gz VOOHFPWMYOWMQJ-UHFFFAOYSA-N 0 0 397.269 3.023 20 30 GGEDRN C[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000278464344 565560229 /nfs/dbraw/zinc/56/02/29/565560229.db2.gz YJFUAODTGKNJQB-VIFPVBQESA-N 0 0 375.397 3.214 20 30 GGEDRN N#Cc1ccc(NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000391021715 565560471 /nfs/dbraw/zinc/56/04/71/565560471.db2.gz PQYONSMJLQNBMN-UHFFFAOYSA-N 0 0 376.166 3.246 20 30 GGEDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)[C@@H](C)C(=O)N(C)CCC#N ZINC000302877266 565561928 /nfs/dbraw/zinc/56/19/28/565561928.db2.gz SGJCLNBROHUGHI-LBPRGKRZSA-N 0 0 385.295 3.014 20 30 GGEDRN N#CCCN(C(=O)c1ccoc1Br)c1ccc2c(c1)OCCO2 ZINC000391930053 565562702 /nfs/dbraw/zinc/56/27/02/565562702.db2.gz MCCOEWPKCKSXMR-UHFFFAOYSA-N 0 0 377.194 3.374 20 30 GGEDRN Cc1nc(NC(=O)CNC(=O)c2cccc(Cl)c2)sc1SCC#N ZINC000302932502 565564384 /nfs/dbraw/zinc/56/43/84/565564384.db2.gz DPMFVDHYFUSLSJ-UHFFFAOYSA-N 0 0 380.882 3.089 20 30 GGEDRN COc1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc(OC)c1OC ZINC000392685790 565565334 /nfs/dbraw/zinc/56/53/34/565565334.db2.gz HANPEBKMCMYXOH-UHFFFAOYSA-N 0 0 382.825 3.038 20 30 GGEDRN Cc1cc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)ccc1C#N ZINC000393148636 565568097 /nfs/dbraw/zinc/56/80/97/565568097.db2.gz KUFPGQRWOWYXAH-UHFFFAOYSA-N 0 0 375.881 3.031 20 30 GGEDRN N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000173579655 565568196 /nfs/dbraw/zinc/56/81/96/565568196.db2.gz GDKDKORDPDUPKV-CYBMUJFWSA-N 0 0 378.837 3.045 20 30 GGEDRN CCCOc1c(Cl)cc(/C=N/OC[C@@H]2CCS(=O)(=O)C2)cc1OCC ZINC000278609606 565569464 /nfs/dbraw/zinc/56/94/64/565569464.db2.gz ISSDSMAJNBGFBB-UZPSYVQNSA-N 0 0 389.901 3.313 20 30 GGEDRN CC(C)(C#N)CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000278669207 565571930 /nfs/dbraw/zinc/57/19/30/565571930.db2.gz QVVQHZBGKOVFJI-INIZCTEOSA-N 0 0 389.297 3.098 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)NCCc1ccc(F)c(Br)c1 ZINC000303637086 565572906 /nfs/dbraw/zinc/57/29/06/565572906.db2.gz QBANOLFSUDORAS-UHFFFAOYSA-N 0 0 397.269 3.289 20 30 GGEDRN Cc1[nH]nc(NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)c1C#N ZINC000278696540 565573067 /nfs/dbraw/zinc/57/30/67/565573067.db2.gz RPSGIDDJTBEJML-OAHLLOKOSA-N 0 0 388.269 3.128 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc(CNc2nc(Cl)c(C#N)s2)cc1 ZINC000278718217 565573769 /nfs/dbraw/zinc/57/37/69/565573769.db2.gz OQQMALTUHNHHIA-UHFFFAOYSA-N 0 0 384.914 3.311 20 30 GGEDRN C=CCOCCCC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000173664763 565574359 /nfs/dbraw/zinc/57/43/59/565574359.db2.gz SEGUJPKFHDAAQI-GFCCVEGCSA-N 0 0 384.270 3.380 20 30 GGEDRN N#CCC1CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000397298868 565575367 /nfs/dbraw/zinc/57/53/67/565575367.db2.gz NWAZNAMELWXRHO-UHFFFAOYSA-N 0 0 377.691 3.417 20 30 GGEDRN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC1(C#N)CCCCC1 ZINC000191001639 565576068 /nfs/dbraw/zinc/57/60/68/565576068.db2.gz URLIGFBKBVLDNJ-ZDUSSCGKSA-N 0 0 386.901 3.258 20 30 GGEDRN N#Cc1cc(Br)ccc1Cn1cc(I)cn1 ZINC000309344708 565577767 /nfs/dbraw/zinc/57/77/67/565577767.db2.gz WEGPYZFRBHMAAT-UHFFFAOYSA-N 0 0 388.006 3.170 20 30 GGEDRN N#CCCC1CCN(C(=O)c2cc(I)ccc2O)CC1 ZINC000399332064 565579356 /nfs/dbraw/zinc/57/93/56/565579356.db2.gz BOQKLDMOWMJGBH-UHFFFAOYSA-N 0 0 384.217 3.153 20 30 GGEDRN O=C(CC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)NCC(F)(F)F ZINC000278833345 565579632 /nfs/dbraw/zinc/57/96/32/565579632.db2.gz QJHUOJPTEBYFIA-LLVKDONJSA-N 0 0 394.674 3.267 20 30 GGEDRN N#Cc1cc(Br)cn(Cc2ccc(F)cc2Br)c1=O ZINC000311564653 565580301 /nfs/dbraw/zinc/58/03/01/565580301.db2.gz AMQMBQQGZKCHCK-UHFFFAOYSA-N 0 0 386.018 3.432 20 30 GGEDRN N#Cc1ccc(F)c(CNS(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000173743761 565581326 /nfs/dbraw/zinc/58/13/26/565581326.db2.gz WJLDUDOWGMRZJG-UHFFFAOYSA-N 0 0 387.205 3.077 20 30 GGEDRN C=CCN(CCOC)C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000191128703 565583576 /nfs/dbraw/zinc/58/35/76/565583576.db2.gz BZQQTPVQNDLVRI-GFCCVEGCSA-N 0 0 399.285 3.125 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Cc2ccc(F)c(Br)c2)n1 ZINC000278905738 565583708 /nfs/dbraw/zinc/58/37/08/565583708.db2.gz GTHYVXFQFJFBES-UHFFFAOYSA-N 0 0 378.245 3.009 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2cc(F)ccc2Br)n1 ZINC000278903602 565584308 /nfs/dbraw/zinc/58/43/08/565584308.db2.gz VEEJEKXQPFFMHN-UHFFFAOYSA-N 0 0 379.233 3.472 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccc(Br)c(C)n2)n1 ZINC000278921141 565585077 /nfs/dbraw/zinc/58/50/77/565585077.db2.gz WNTBNTLARRZYJA-UHFFFAOYSA-N 0 0 376.258 3.036 20 30 GGEDRN N#CCCN(CCN1CCOCC1)Cc1cc(Br)c(Cl)s1 ZINC000191148445 565585147 /nfs/dbraw/zinc/58/51/47/565585147.db2.gz BTKPUFPVOPQSNV-UHFFFAOYSA-N 0 0 392.750 3.212 20 30 GGEDRN C[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000278914402 565585208 /nfs/dbraw/zinc/58/52/08/565585208.db2.gz KZJMHJBSSBYVOG-JTQLQIEISA-N 0 0 389.424 3.158 20 30 GGEDRN C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000278914406 565585575 /nfs/dbraw/zinc/58/55/75/565585575.db2.gz KZJMHJBSSBYVOG-SNVBAGLBSA-N 0 0 389.424 3.158 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccc(F)c(Br)c2)n1 ZINC000278949424 565586428 /nfs/dbraw/zinc/58/64/28/565586428.db2.gz ZFOYWCFSNFHMTJ-UHFFFAOYSA-N 0 0 379.233 3.472 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)CCOc2ccccc2Br)n1 ZINC000278951159 565586469 /nfs/dbraw/zinc/58/64/69/565586469.db2.gz MHJHDXQKCMFQNN-UHFFFAOYSA-N 0 0 390.281 3.096 20 30 GGEDRN C[C@H](C(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)S(C)(=O)=O ZINC000173789678 565586612 /nfs/dbraw/zinc/58/66/12/565586612.db2.gz DLRLZHQQXGFTIU-CYBMUJFWSA-N 0 0 376.865 3.178 20 30 GGEDRN Cc1cc(Br)c(NS(=O)(=O)c2cncc(C#N)c2)cc1Cl ZINC000315048997 565589143 /nfs/dbraw/zinc/58/91/43/565589143.db2.gz YNJIHMFOLLIZFP-UHFFFAOYSA-N 0 0 386.658 3.478 20 30 GGEDRN C=CCC[C@@H](CO)NC(=O)c1cc(Br)cc(Br)c1 ZINC000315686977 565590576 /nfs/dbraw/zinc/59/05/76/565590576.db2.gz CDVBCSWSQOQVIB-LBPRGKRZSA-N 0 0 377.076 3.269 20 30 GGEDRN Cc1ccc(Br)cc1CNC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000191261920 565591336 /nfs/dbraw/zinc/59/13/36/565591336.db2.gz PWIGECHSNVIIKW-UHFFFAOYSA-N 0 0 386.249 3.193 20 30 GGEDRN Cc1ccc(Br)cc1CNC(=O)C(=O)Nc1cccc(C)c1C#N ZINC000191263966 565592111 /nfs/dbraw/zinc/59/21/11/565592111.db2.gz OMDLWBWYKGJIIH-UHFFFAOYSA-N 0 0 386.249 3.193 20 30 GGEDRN Cn1cc(CN2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1C#N ZINC000191265761 565592237 /nfs/dbraw/zinc/59/22/37/565592237.db2.gz SEXISERXEXOISX-UHFFFAOYSA-N 0 0 377.275 3.162 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccc(OC)c(Br)c2)n1 ZINC000279060339 565593323 /nfs/dbraw/zinc/59/33/23/565593323.db2.gz KTRBPRUREJTVBY-UHFFFAOYSA-N 0 0 391.269 3.341 20 30 GGEDRN CNC(=O)CC1S/C(=N/c2ccc(Cl)cc2)N(C[C@@H]2CCSC2)C1=O ZINC000279057335 565593458 /nfs/dbraw/zinc/59/34/58/565593458.db2.gz APGOKQPTLRXCIK-XUPFZBPBSA-N 0 0 397.953 3.161 20 30 GGEDRN N#Cc1cc(Br)cc(COC(=O)c2ccc(N3CCCC3)nn2)c1 ZINC000279063249 565593592 /nfs/dbraw/zinc/59/35/92/565593592.db2.gz CGDOHQHINCUIMA-UHFFFAOYSA-N 0 0 387.237 3.068 20 30 GGEDRN C[C@@H](NC(=O)NCCOCC(F)(F)C(F)F)c1nc(C(F)(F)F)cs1 ZINC000279077720 565594663 /nfs/dbraw/zinc/59/46/63/565594663.db2.gz RPUDQXMMPWCQNG-ZCFIWIBFSA-N 0 0 397.316 3.439 20 30 GGEDRN CS[C@H]1CCCCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000408116080 565595732 /nfs/dbraw/zinc/59/57/32/565595732.db2.gz UDMZYZWLTYYPLB-NSHDSACASA-N 0 0 389.340 3.227 20 30 GGEDRN C=CCNC(=O)[C@@H](C)Sc1n[nH]c(-c2ccc(OC)c(Br)c2)n1 ZINC000191318237 565595979 /nfs/dbraw/zinc/59/59/79/565595979.db2.gz FZYFAVBZHOHNBG-SECBINFHSA-N 0 0 397.298 3.026 20 30 GGEDRN COc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C)cc1Br ZINC000318611985 565596610 /nfs/dbraw/zinc/59/66/10/565596610.db2.gz XADWXNMLKUUCIS-UHFFFAOYSA-N 0 0 381.251 3.439 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1Br ZINC000408191002 565597916 /nfs/dbraw/zinc/59/79/16/565597916.db2.gz CATJQSNVFYGGAA-QWRGUYRKSA-N 0 0 387.274 3.271 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000279176489 565599336 /nfs/dbraw/zinc/59/93/36/565599336.db2.gz RVYAWCVIUKYQOI-KRWDZBQOSA-N 0 0 380.275 3.295 20 30 GGEDRN CN(C(=O)Cc1ccc(I)cc1)c1cccc(C#N)c1 ZINC000191389250 565600367 /nfs/dbraw/zinc/60/03/67/565600367.db2.gz AFGXJSDSBCQOMP-UHFFFAOYSA-N 0 0 376.197 3.368 20 30 GGEDRN N#Cc1cc(Br)ccc1CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000320765034 565603128 /nfs/dbraw/zinc/60/31/28/565603128.db2.gz BUYRMEZGFNNZBO-UHFFFAOYSA-N 0 0 381.207 3.203 20 30 GGEDRN Cc1cc(S(=O)(=O)N(CCC#N)CC(F)(F)F)ccc1Br ZINC000173975994 565603240 /nfs/dbraw/zinc/60/32/40/565603240.db2.gz WOBYMIOWDLENLE-UHFFFAOYSA-N 0 0 385.205 3.224 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)NCCc2ccc(Br)s2)n1 ZINC000279261615 565604029 /nfs/dbraw/zinc/60/40/29/565604029.db2.gz QPFONCLLSAWVJX-UHFFFAOYSA-N 0 0 395.326 3.115 20 30 GGEDRN C=CCC[C@@H](CO)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000321116418 565604195 /nfs/dbraw/zinc/60/41/95/565604195.db2.gz PLXWLJXWZUDTTB-PWSUYJOCSA-N 0 0 376.678 3.313 20 30 GGEDRN N#CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1Br ZINC000173977175 565604247 /nfs/dbraw/zinc/60/42/47/565604247.db2.gz XGPSOBUAIZAYJC-UHFFFAOYSA-N 0 0 389.168 3.055 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)Cc2ccc(I)cc2)n1 ZINC000191440152 565605039 /nfs/dbraw/zinc/60/50/39/565605039.db2.gz QBZOHWWCMOYUNB-UHFFFAOYSA-N 0 0 394.216 3.121 20 30 GGEDRN C=CCNC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000173995693 565605415 /nfs/dbraw/zinc/60/54/15/565605415.db2.gz MWHLQLJOKCBTRX-KRWDZBQOSA-N 0 0 378.881 3.318 20 30 GGEDRN C[C@@H]1CCC[C@@](C#N)(NC(=O)Cc2ccc(I)cc2)C1 ZINC000191464436 565607119 /nfs/dbraw/zinc/60/71/19/565607119.db2.gz VRINCKMDNXPPSN-MLGOLLRUSA-N 0 0 382.245 3.422 20 30 GGEDRN CC1(C)CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCS1 ZINC000408392080 565607188 /nfs/dbraw/zinc/60/71/88/565607188.db2.gz FPIHAXQYOUTYBQ-UHFFFAOYSA-N 0 0 378.441 3.483 20 30 GGEDRN CC1(C)CCCN(S(=O)(=O)c2ccc(F)c(Br)c2)[C@@H]1C#N ZINC000408401252 565607325 /nfs/dbraw/zinc/60/73/25/565607325.db2.gz BTTXOFDXSAADME-CYBMUJFWSA-N 0 0 375.263 3.291 20 30 GGEDRN CC1(C)CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)[C@H]1C#N ZINC000408402599 565607368 /nfs/dbraw/zinc/60/73/68/565607368.db2.gz OQTAOIUSUWPDRN-AWEZNQCLSA-N 0 0 382.283 3.024 20 30 GGEDRN COc1cc(S(=O)(=O)N2CCCC(C)(C)[C@H]2C#N)ccc1Br ZINC000408402068 565607444 /nfs/dbraw/zinc/60/74/44/565607444.db2.gz JUGFKTSMJHFQRP-CQSZACIVSA-N 0 0 387.299 3.161 20 30 GGEDRN COc1cc(S(=O)(=O)N2CCCC(C)(C)[C@@H]2C#N)ccc1Br ZINC000408402067 565607561 /nfs/dbraw/zinc/60/75/61/565607561.db2.gz JUGFKTSMJHFQRP-AWEZNQCLSA-N 0 0 387.299 3.161 20 30 GGEDRN CC1(C)CCCN(S(=O)(=O)c2cc(Br)ccc2F)[C@H]1C#N ZINC000408402053 565607724 /nfs/dbraw/zinc/60/77/24/565607724.db2.gz JQJWLCNRROINLE-ZDUSSCGKSA-N 0 0 375.263 3.291 20 30 GGEDRN Cc1nsc(N2CCCN(c3cccc(Br)c3C#N)CC2)n1 ZINC000408423964 565608557 /nfs/dbraw/zinc/60/85/57/565608557.db2.gz ZWUBJOKBZIBPCM-UHFFFAOYSA-N 0 0 378.299 3.197 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)NCc2ccccc2Br)n1 ZINC000279387014 565610176 /nfs/dbraw/zinc/61/01/76/565610176.db2.gz GFEXOFHQYGBGCT-UHFFFAOYSA-N 0 0 375.270 3.011 20 30 GGEDRN N#Cc1ccsc1NC(=O)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000191521801 565610392 /nfs/dbraw/zinc/61/03/92/565610392.db2.gz YANUALRSFBWFHH-UHFFFAOYSA-N 0 0 396.197 3.068 20 30 GGEDRN CC[C@H]1C[C@@H](C)CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000408459765 565610812 /nfs/dbraw/zinc/61/08/12/565610812.db2.gz JXGROOCCIQUHDK-KOLCDFICSA-N 0 0 375.263 3.269 20 30 GGEDRN CC[C@@H]1C[C@@H](C)CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000408459766 565611059 /nfs/dbraw/zinc/61/10/59/565611059.db2.gz JXGROOCCIQUHDK-MWLCHTKSSA-N 0 0 375.263 3.269 20 30 GGEDRN C=CCOc1c(Br)cc(CN2CCCN(CC)C(=O)C2)cc1OC ZINC000191538552 565611391 /nfs/dbraw/zinc/61/13/91/565611391.db2.gz WWHCOTFWYLAZLR-UHFFFAOYSA-N 0 0 397.313 3.077 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)[C@H]1CCC[C@H]1C(=O)OC ZINC000323062637 565611943 /nfs/dbraw/zinc/61/19/43/565611943.db2.gz MDOVOHJRLAPWJO-OLZOCXBDSA-N 0 0 377.915 3.061 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)[C@H]1CCC[C@@H]1C(=O)OC ZINC000323062639 565613222 /nfs/dbraw/zinc/61/32/22/565613222.db2.gz MDOVOHJRLAPWJO-STQMWFEESA-N 0 0 377.915 3.061 20 30 GGEDRN N#CCCn1ccc(NC(=O)Nc2cccc(F)c2I)n1 ZINC000191568282 565613791 /nfs/dbraw/zinc/61/37/91/565613791.db2.gz OOFLTCDARFFWDZ-UHFFFAOYSA-N 0 0 399.167 3.184 20 30 GGEDRN C=CCOCCCC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000279465427 565614418 /nfs/dbraw/zinc/61/44/18/565614418.db2.gz WHHIWJCZPUVMBC-UHFFFAOYSA-N 0 0 380.242 3.098 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)Nc1ccc(F)c(Br)c1 ZINC000174108948 565614451 /nfs/dbraw/zinc/61/44/51/565614451.db2.gz DKHGJFUOGVOIKX-UHFFFAOYSA-N 0 0 379.185 3.486 20 30 GGEDRN CC1CCC2(CC1)NC(=O)N(Cc1ccc(Br)cc1C#N)C2=O ZINC000323495393 565614462 /nfs/dbraw/zinc/61/44/62/565614462.db2.gz DPAUDPUOTCKAGU-UHFFFAOYSA-N 0 0 376.254 3.321 20 30 GGEDRN CNC(=O)CC1S/C(=N/c2cccc(Cl)c2)N(C[C@@H]2CCSC2)C1=O ZINC000279478123 565614521 /nfs/dbraw/zinc/61/45/21/565614521.db2.gz NUXHOHNUYCCEBX-AXSIEWBXSA-N 0 0 397.953 3.161 20 30 GGEDRN CN(C)S(=O)(=O)c1cccc(CNc2ccc(Br)cc2C#N)c1 ZINC000323853104 565615230 /nfs/dbraw/zinc/61/52/30/565615230.db2.gz YTWDWMDUYWIIBU-UHFFFAOYSA-N 0 0 394.294 3.183 20 30 GGEDRN COc1c(C(=O)Nc2ccc(C#N)c(Br)c2)cccc1[N+](=O)[O-] ZINC000323790318 565615393 /nfs/dbraw/zinc/61/53/93/565615393.db2.gz GIVZRYQVEURSJS-UHFFFAOYSA-N 0 0 376.166 3.490 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)NCCc2ccc(Br)cc2)n1 ZINC000279487186 565615492 /nfs/dbraw/zinc/61/54/92/565615492.db2.gz NAWGFFFCVYODJK-UHFFFAOYSA-N 0 0 389.297 3.053 20 30 GGEDRN CN(Cc1ccc(Br)o1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409454831 565615844 /nfs/dbraw/zinc/61/58/44/565615844.db2.gz VDPSGGMPGWIMJB-UHFFFAOYSA-N 0 0 385.221 3.372 20 30 GGEDRN CCOc1ccc(C(C)=O)cc1Cn1cc(Br)cc(C#N)c1=O ZINC000323930819 565616334 /nfs/dbraw/zinc/61/63/34/565616334.db2.gz QDEWHGSABFIGAX-UHFFFAOYSA-N 0 0 375.222 3.132 20 30 GGEDRN CCOC(=O)CSc1nnc(NCc2ccc(F)c(C#N)c2Cl)s1 ZINC000279505796 565616752 /nfs/dbraw/zinc/61/67/52/565616752.db2.gz IWLYLFPEWPRUBB-UHFFFAOYSA-N 0 0 386.861 3.470 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)Nc2ccc3nccnc3c2Br)c1 ZINC000323935729 565616723 /nfs/dbraw/zinc/61/67/23/565616723.db2.gz SAJBCKIBRBKWEJ-UHFFFAOYSA-N 0 0 389.234 3.065 20 30 GGEDRN CC[C@@H](NS(=O)(=O)N(CC)CCC#N)c1cc(F)cc(Br)c1 ZINC000409482277 565618188 /nfs/dbraw/zinc/61/81/88/565618188.db2.gz DXOOPPBNMAOYAO-CQSZACIVSA-N 0 0 392.294 3.109 20 30 GGEDRN CC[C@H](NS(=O)(=O)N(CC)CCC#N)c1cc(F)cc(Br)c1 ZINC000409482273 565618245 /nfs/dbraw/zinc/61/82/45/565618245.db2.gz DXOOPPBNMAOYAO-AWEZNQCLSA-N 0 0 392.294 3.109 20 30 GGEDRN Cc1cnc([C@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000409485238 565618458 /nfs/dbraw/zinc/61/84/58/565618458.db2.gz NORRWJWWDHAKCW-VIFPVBQESA-N 0 0 375.397 3.382 20 30 GGEDRN N#Cc1cccc(-n2ccc(C(=O)NCc3ccc(Br)s3)n2)c1 ZINC000409483663 565618538 /nfs/dbraw/zinc/61/85/38/565618538.db2.gz DLHGUKIHYVAJOO-UHFFFAOYSA-N 0 0 387.262 3.498 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)NC(C)(C)c1ccccc1Br ZINC000409488981 565619354 /nfs/dbraw/zinc/61/93/54/565619354.db2.gz XGDZMVJSXBLNDR-GFCCVEGCSA-N 0 0 388.331 3.000 20 30 GGEDRN CC(C)[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000409489125 565619384 /nfs/dbraw/zinc/61/93/84/565619384.db2.gz XWSNEWBYEGOSRP-DOMZBBRYSA-N 0 0 377.432 3.328 20 30 GGEDRN CCOCCC1(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000409494048 565619568 /nfs/dbraw/zinc/61/95/68/565619568.db2.gz YYRVLELTZFCXIQ-UHFFFAOYSA-N 0 0 376.400 3.062 20 30 GGEDRN C[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000409491958 565619604 /nfs/dbraw/zinc/61/96/04/565619604.db2.gz RWODAWRWGWIMPN-JHJVBQTASA-N 0 0 377.432 3.123 20 30 GGEDRN N#Cc1cc(S(=O)(=O)NCCC[C@H]2CCCCO2)ccc1C(F)(F)F ZINC000409495178 565619668 /nfs/dbraw/zinc/61/96/68/565619668.db2.gz LHLFAYSPYYERIX-CYBMUJFWSA-N 0 0 376.400 3.205 20 30 GGEDRN C[C@@H](C#N)CN(C)S(=O)(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000409500888 565620038 /nfs/dbraw/zinc/62/00/38/565620038.db2.gz PKCJYJQSFWOYCM-NSHDSACASA-N 0 0 396.365 3.152 20 30 GGEDRN C[C@]1(c2cccs2)NC(=O)N(Cc2cc(C#N)ccc2Br)C1=O ZINC000191679528 565620531 /nfs/dbraw/zinc/62/05/31/565620531.db2.gz SCKLBNOSDTUVIX-MRXNPFEDSA-N 0 0 390.262 3.349 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N1CCCCC[C@H]1CC(=O)c1cccs1 ZINC000409507160 565620609 /nfs/dbraw/zinc/62/06/09/565620609.db2.gz LLRKUPNZZHOSAN-HNNXBMFYSA-N 0 0 383.539 3.046 20 30 GGEDRN C[C@]1(c2ccsc2)NC(=O)N(Cc2cc(C#N)ccc2Br)C1=O ZINC000191683667 565620741 /nfs/dbraw/zinc/62/07/41/565620741.db2.gz HHZYGZKMAUJVOZ-MRXNPFEDSA-N 0 0 390.262 3.349 20 30 GGEDRN N#Cc1ccc(Br)c(CN2C(=O)NC3(CCCCCC3)C2=O)c1 ZINC000191675395 565620806 /nfs/dbraw/zinc/62/08/06/565620806.db2.gz BOVHFILQQCGOCN-UHFFFAOYSA-N 0 0 376.254 3.466 20 30 GGEDRN COCCC1(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCC1 ZINC000409522324 565621142 /nfs/dbraw/zinc/62/11/42/565621142.db2.gz XQLLOWDZRXYREC-UHFFFAOYSA-N 0 0 376.400 3.062 20 30 GGEDRN Cc1cnc([C@@H](C)CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000409519739 565621224 /nfs/dbraw/zinc/62/12/24/565621224.db2.gz PUDMPVFXRNBSAU-VIFPVBQESA-N 0 0 389.424 3.424 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000409512125 565621399 /nfs/dbraw/zinc/62/13/99/565621399.db2.gz HKPYZOVYKBDZPF-MLGOLLRUSA-N 0 0 375.897 3.492 20 30 GGEDRN Cc1csc([C@H](C)CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n1 ZINC000409518932 565621424 /nfs/dbraw/zinc/62/14/24/565621424.db2.gz NWXSZPUXBBATKA-SECBINFHSA-N 0 0 389.424 3.424 20 30 GGEDRN N#Cc1ccc(Br)c(CN2C(=O)C[C@@]3(CCc4ccccc43)C2=O)c1 ZINC000191690040 565621919 /nfs/dbraw/zinc/62/19/19/565621919.db2.gz IVJDVTRQDHQBJZ-HXUWFJFHSA-N 0 0 395.256 3.464 20 30 GGEDRN COC(=O)[C@@H](C)c1c(C)nn(Cc2cc(C#N)ccc2Br)c1C ZINC000191687999 565622054 /nfs/dbraw/zinc/62/20/54/565622054.db2.gz YTRMLNTYZAEJTB-JTQLQIEISA-N 0 0 376.254 3.459 20 30 GGEDRN CN(C)C(=O)COc1cccc(NCc2cc(C#N)ccc2Br)c1 ZINC000191695654 565622209 /nfs/dbraw/zinc/62/22/09/565622209.db2.gz BNGRHFNSGWIIIG-UHFFFAOYSA-N 0 0 388.265 3.400 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000409554118 565623098 /nfs/dbraw/zinc/62/30/98/565623098.db2.gz QQERSZGVHCNSHR-DYVFJYSZSA-N 0 0 395.575 3.483 20 30 GGEDRN Cc1nc(-c2ccc([C@H](C)NS(=O)(=O)N(C)C[C@H](C)C#N)cc2)cs1 ZINC000409554692 565623196 /nfs/dbraw/zinc/62/31/96/565623196.db2.gz LHFIRQLVLIZLMQ-OLZOCXBDSA-N 0 0 378.523 3.105 20 30 GGEDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NS(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409551063 565623498 /nfs/dbraw/zinc/62/34/98/565623498.db2.gz AZZOSKFDKQEINE-GXTWGEPZSA-N 0 0 378.523 3.105 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Br)c(F)c1 ZINC000174238899 565623641 /nfs/dbraw/zinc/62/36/41/565623641.db2.gz DUAZLGVDBXTXBF-UHFFFAOYSA-N 0 0 379.185 3.486 20 30 GGEDRN C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000409551649 565623794 /nfs/dbraw/zinc/62/37/94/565623794.db2.gz BWSQMGKUOHCPAI-KSSFIOAISA-N 0 0 377.897 3.355 20 30 GGEDRN N#Cc1ccc(Br)c(CSCc2nnnn2CC(F)(F)F)c1 ZINC000191708962 565624098 /nfs/dbraw/zinc/62/40/98/565624098.db2.gz CMVJIMNZSOCNKS-UHFFFAOYSA-N 0 0 392.204 3.303 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000409563882 565624416 /nfs/dbraw/zinc/62/44/16/565624416.db2.gz ZTAKAWHLCGLKML-VXGBXAGGSA-N 0 0 378.325 3.240 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N(Cc1ccco1)Cc1ccc(C)s1 ZINC000409562708 565624716 /nfs/dbraw/zinc/62/47/16/565624716.db2.gz SJFDMKIGSHBESB-AWEZNQCLSA-N 0 0 381.523 3.378 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)NCc2ccc(Br)cc2C)n1 ZINC000279634860 565624803 /nfs/dbraw/zinc/62/48/03/565624803.db2.gz YZHVPXYCGGNLTK-UHFFFAOYSA-N 0 0 389.297 3.319 20 30 GGEDRN CCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000191724557 565625150 /nfs/dbraw/zinc/62/51/50/565625150.db2.gz JELFLCMNYJUYFR-SNVBAGLBSA-N 0 0 376.400 3.044 20 30 GGEDRN CCC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000191725656 565625273 /nfs/dbraw/zinc/62/52/73/565625273.db2.gz NUFSKRFBFJXTBA-MNOVXSKESA-N 0 0 376.400 3.044 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000409578122 565625573 /nfs/dbraw/zinc/62/55/73/565625573.db2.gz WEJRBQSLODDAAQ-UHFFFAOYSA-N 0 0 376.309 3.438 20 30 GGEDRN COCCN(CCC#N)S(=O)(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000409587129 565625989 /nfs/dbraw/zinc/62/59/89/565625989.db2.gz ZIVOHNPECCQBEF-LBPRGKRZSA-N 0 0 394.324 3.093 20 30 GGEDRN CCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409593436 565626593 /nfs/dbraw/zinc/62/65/93/565626593.db2.gz CODCTGUMDQDISG-STQMWFEESA-N 0 0 377.432 3.425 20 30 GGEDRN CCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)N(C)C[C@H](C)C#N ZINC000409593427 565626688 /nfs/dbraw/zinc/62/66/88/565626688.db2.gz CODCTGUMDQDISG-CHWSQXEVSA-N 0 0 377.432 3.425 20 30 GGEDRN CCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409593434 565626719 /nfs/dbraw/zinc/62/67/19/565626719.db2.gz CODCTGUMDQDISG-QWHCGFSZSA-N 0 0 377.432 3.425 20 30 GGEDRN COCCN(CCC#N)S(=O)(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000409591383 565626882 /nfs/dbraw/zinc/62/68/82/565626882.db2.gz KDOSPGTZXBTDBF-LBPRGKRZSA-N 0 0 394.324 3.093 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000409592902 565627014 /nfs/dbraw/zinc/62/70/14/565627014.db2.gz AHTWBHFJELUEHS-HNNXBMFYSA-N 0 0 386.315 3.066 20 30 GGEDRN CC(C)(C)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000279695207 565627904 /nfs/dbraw/zinc/62/79/04/565627904.db2.gz GLDZDQAMNQEVMH-AWEZNQCLSA-N 0 0 376.400 3.013 20 30 GGEDRN N#Cc1cccc(-n2ccc(C(=O)NCc3cccc(Br)c3)n2)c1 ZINC000409607473 565628078 /nfs/dbraw/zinc/62/80/78/565628078.db2.gz INNKNTCSQHIHBA-UHFFFAOYSA-N 0 0 381.233 3.436 20 30 GGEDRN COc1ccccc1C[C@H](C)N(C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000327224234 565628450 /nfs/dbraw/zinc/62/84/50/565628450.db2.gz VRZXISSIXGTNKU-ZDUSSCGKSA-N 0 0 378.881 3.472 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000327247196 565629661 /nfs/dbraw/zinc/62/96/61/565629661.db2.gz 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COc1cc(Br)c(CNC(=O)c2cc(C#N)oc2C)cc1OC ZINC000280532240 565679014 /nfs/dbraw/zinc/67/90/14/565679014.db2.gz CAUYNCJKGFMRKP-UHFFFAOYSA-N 0 0 379.210 3.169 20 30 GGEDRN O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N[C@H]1CCCS(=O)(=O)C1 ZINC000329773383 565679210 /nfs/dbraw/zinc/67/92/10/565679210.db2.gz HZINBZKBZXAKIK-ZDUSSCGKSA-N 0 0 386.901 3.374 20 30 GGEDRN Cc1cnc([C@@H](NC(=O)N2CCN(Cc3cscn3)CC2)C2CC2)s1 ZINC000329774934 565679228 /nfs/dbraw/zinc/67/92/28/565679228.db2.gz MQKROAKHMMAWPQ-HNNXBMFYSA-N 0 0 377.539 3.091 20 30 GGEDRN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)N1CCC[C@H](n2cncn2)C1 ZINC000329773852 565679310 /nfs/dbraw/zinc/67/93/10/565679310.db2.gz LUPOEQILUIMVOU-GXFFZTMASA-N 0 0 382.251 3.270 20 30 GGEDRN O=C(NCCc1cc(Cl)ccc1Br)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329749786 565679598 /nfs/dbraw/zinc/67/95/98/565679598.db2.gz HRDHJIAWTQIBAJ-LNSITVRQSA-N 0 0 387.705 3.262 20 30 GGEDRN O=C(N[C@H]1CCCS(=O)(=O)C1)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000329751434 565679504 /nfs/dbraw/zinc/67/95/04/565679504.db2.gz IWYZVQLKISERIZ-NSHDSACASA-N 0 0 377.293 3.063 20 30 GGEDRN O=C(NC[C@H]1CCCCS1)N1CCN(c2ncnc3ccsc32)CC1 ZINC000329748836 565679510 /nfs/dbraw/zinc/67/95/10/565679510.db2.gz HCHUOUGWFZIUMJ-CYBMUJFWSA-N 0 0 377.539 3.013 20 30 GGEDRN C[C@H](SC[C@@H]1CCC2(CCCCC2)O1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000329806262 565680301 /nfs/dbraw/zinc/68/03/01/565680301.db2.gz NSZIXNNZTMSDNE-ZNMIVQPWSA-N 0 0 375.556 3.134 20 30 GGEDRN C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000329801596 565680405 /nfs/dbraw/zinc/68/04/05/565680405.db2.gz JTCWRKAEEIZSPM-SMDDNHRTSA-N 0 0 396.285 3.274 20 30 GGEDRN C[C@H]1C[C@@H](C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CCC1=O ZINC000329804310 565680722 /nfs/dbraw/zinc/68/07/22/565680722.db2.gz LYQAYRCVOZZUBJ-RYUDHWBXSA-N 0 0 396.285 3.274 20 30 GGEDRN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329793070 565680730 /nfs/dbraw/zinc/68/07/30/565680730.db2.gz VLHPBXBHDGEPDX-ZYHUDNBSSA-N 0 0 379.309 3.477 20 30 GGEDRN Cc1cc(Br)cc(NC(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)c1 ZINC000329808487 565680733 /nfs/dbraw/zinc/68/07/33/565680733.db2.gz ARSLICNIGIODMB-NSHDSACASA-N 0 0 379.258 3.454 20 30 GGEDRN O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329793289 565681105 /nfs/dbraw/zinc/68/11/05/565681105.db2.gz FQHUXHIPPYQCDX-AYIQCDPPSA-N 0 0 379.298 3.312 20 30 GGEDRN Cc1cccc(CNC(=O)N[C@@H]2CCOC3(CCOCC3)C2)c1Br ZINC000329838867 565681890 /nfs/dbraw/zinc/68/18/90/565681890.db2.gz IXOHOSZFFJMSLR-OAHLLOKOSA-N 0 0 397.313 3.489 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000410387427 565681932 /nfs/dbraw/zinc/68/19/32/565681932.db2.gz HRHDIVORLFYSIQ-UHFFFAOYSA-N 0 0 389.308 3.087 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H]3CCCSC3)CC2)cc1 ZINC000329838361 565682010 /nfs/dbraw/zinc/68/20/10/565682010.db2.gz MMIPNXKYPLQCGT-OAHLLOKOSA-N 0 0 382.551 3.248 20 30 GGEDRN O=C(Nc1cnc(N2CCOCC2)c(Br)c1)C1CCSCC1 ZINC000329822345 565682072 /nfs/dbraw/zinc/68/20/72/565682072.db2.gz YZVBSQGJSFHDRK-UHFFFAOYSA-N 0 0 386.315 3.412 20 30 GGEDRN Cc1cccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1Cl ZINC000175153139 565682135 /nfs/dbraw/zinc/68/21/35/565682135.db2.gz DXMCSRPDBUWDMH-UHFFFAOYSA-N 0 0 377.853 3.093 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(C)(c2cccc(Cl)c2)CC1 ZINC000410388054 565682415 /nfs/dbraw/zinc/68/24/15/565682415.db2.gz IXPZQORERFWMIJ-OAHLLOKOSA-N 0 0 383.945 3.420 20 30 GGEDRN COc1cc(Br)c(OCCN(C)CC#N)cc1Br ZINC000175167632 565682545 /nfs/dbraw/zinc/68/25/45/565682545.db2.gz OSOXSQGBJUIJCY-UHFFFAOYSA-N 0 0 378.064 3.054 20 30 GGEDRN Cc1cccc(CNC(=O)N[C@H]2CCOC3(CCOCC3)C2)c1Br ZINC000329838866 565682558 /nfs/dbraw/zinc/68/25/58/565682558.db2.gz IXOHOSZFFJMSLR-HNNXBMFYSA-N 0 0 397.313 3.489 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000280583153 565682763 /nfs/dbraw/zinc/68/27/63/565682763.db2.gz AFTLSKQUNVSRGW-ZUZCIYMTSA-N 0 0 387.263 3.038 20 30 GGEDRN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329851484 565682976 /nfs/dbraw/zinc/68/29/76/565682976.db2.gz QVCXXEJBWUPIRW-GFCCVEGCSA-N 0 0 379.309 3.307 20 30 GGEDRN Cc1cccc(NC(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)c1Br ZINC000329849353 565682986 /nfs/dbraw/zinc/68/29/86/565682986.db2.gz RUIRZQBWMNWRBU-NSHDSACASA-N 0 0 379.258 3.454 20 30 GGEDRN Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)Nc2sc(C)nc2C)cs1 ZINC000329853656 565683004 /nfs/dbraw/zinc/68/30/04/565683004.db2.gz VSFOPIWZOFHBAG-JSGCOSHPSA-N 0 0 383.518 3.463 20 30 GGEDRN N#C[C@H]1N(C(=O)Cc2ccccc2Br)CCC[C@]12CCCCO2 ZINC000329847445 565683135 /nfs/dbraw/zinc/68/31/35/565683135.db2.gz MTDOPFRBCCBDLJ-SJLPKXTDSA-N 0 0 377.282 3.445 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000410401076 565683132 /nfs/dbraw/zinc/68/31/32/565683132.db2.gz NBZYRHUUORQVAL-STQMWFEESA-N 0 0 377.432 3.125 20 30 GGEDRN C#CCCCC(=O)N1CCC(Oc2ccccc2I)CC1 ZINC000192372391 565683144 /nfs/dbraw/zinc/68/31/44/565683144.db2.gz HRTDSMSXDFDOEN-UHFFFAOYSA-N 0 0 397.256 3.465 20 30 GGEDRN COc1ccc(Br)c(S(=O)(=O)N(CCC#N)Cc2ccco2)c1 ZINC000175196213 565683283 /nfs/dbraw/zinc/68/32/83/565683283.db2.gz BXHNPPARWFLKAK-UHFFFAOYSA-N 0 0 399.266 3.155 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCC3(CCC3)C2)s1 ZINC000329869589 565683335 /nfs/dbraw/zinc/68/33/35/565683335.db2.gz ZAYBMTFUJOWNHD-UHFFFAOYSA-N 0 0 385.555 3.069 20 30 GGEDRN N#C[C@@H]1N(C(=O)COc2cccc(Br)c2)CCC[C@]12CCCCO2 ZINC000329878517 565683355 /nfs/dbraw/zinc/68/33/55/565683355.db2.gz KXCGAVGXBGAWBO-FUHWJXTLSA-N 0 0 393.281 3.282 20 30 GGEDRN N#C[C@H]1N(C(=O)COc2ccccc2Br)CCC[C@@]12CCCCO2 ZINC000329867159 565683773 /nfs/dbraw/zinc/68/37/73/565683773.db2.gz VPDFHMVTTAQLLU-AEFFLSMTSA-N 0 0 393.281 3.282 20 30 GGEDRN COC(=O)c1cc(S(=O)(=O)OCC(F)(F)C(F)F)c(Cl)cc1Cl ZINC000175182436 565684044 /nfs/dbraw/zinc/68/40/44/565684044.db2.gz AGGBXFYXQHUFNH-UHFFFAOYSA-N 0 0 399.145 3.386 20 30 GGEDRN C[C@@H](C#N)CN(C)S(=O)(=O)NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC000410416212 565684082 /nfs/dbraw/zinc/68/40/82/565684082.db2.gz WXXYAPDFRLBRAC-ZDUSSCGKSA-N 0 0 387.908 3.217 20 30 GGEDRN O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1cc2n(n1)CCCO2 ZINC000329898443 565684171 /nfs/dbraw/zinc/68/41/71/565684171.db2.gz METHBXCVZILOHN-GFCCVEGCSA-N 0 0 391.269 3.012 20 30 GGEDRN Cc1ccc(NC(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)c(Br)c1 ZINC000329895130 565684671 /nfs/dbraw/zinc/68/46/71/565684671.db2.gz BQLZEPRHCMPLJG-NSHDSACASA-N 0 0 379.258 3.454 20 30 GGEDRN Cc1ccc(NC(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)c(Br)c1 ZINC000329895129 565684809 /nfs/dbraw/zinc/68/48/09/565684809.db2.gz BQLZEPRHCMPLJG-LLVKDONJSA-N 0 0 379.258 3.454 20 30 GGEDRN CC(C)(C)CC[C@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410424478 565685330 /nfs/dbraw/zinc/68/53/30/565685330.db2.gz SMEOYWIOVUFRMK-GFCCVEGCSA-N 0 0 378.416 3.043 20 30 GGEDRN Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@]2(C)CCCS2)cs1 ZINC000329936886 565685450 /nfs/dbraw/zinc/68/54/50/565685450.db2.gz LFLVGZBTXSASTK-JLJPHGGASA-N 0 0 386.562 3.153 20 30 GGEDRN CC(=O)N1CC(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)C1 ZINC000329934234 565685706 /nfs/dbraw/zinc/68/57/06/565685706.db2.gz JQTYHKVALDUVKN-UHFFFAOYSA-N 0 0 385.291 3.476 20 30 GGEDRN C[C@@H](C#N)CN(C)S(=O)(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000410423551 565685643 /nfs/dbraw/zinc/68/56/43/565685643.db2.gz ONXMWUZZNNJUFN-RYUDHWBXSA-N 0 0 394.324 3.029 20 30 GGEDRN CCc1sc(C(=O)Nc2nc3n(c2C#N)CCS3)cc1Br ZINC000410437359 565685664 /nfs/dbraw/zinc/68/56/64/565685664.db2.gz DGIGECVZFDQWAB-UHFFFAOYSA-N 0 0 383.296 3.499 20 30 GGEDRN C[C@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000329926851 565686006 /nfs/dbraw/zinc/68/60/06/565686006.db2.gz LBLAGSKXQFIZKF-GLQYFDAESA-N 0 0 396.285 3.244 20 30 GGEDRN Cc1ccc(Br)c(NC(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)c1 ZINC000329950338 565686566 /nfs/dbraw/zinc/68/65/66/565686566.db2.gz LVUQKWUTVFHTDK-LLVKDONJSA-N 0 0 379.258 3.454 20 30 GGEDRN C=CCCN(C)C(=O)C(=O)N1CCC[C@H]1c1cc(Br)ccc1OC ZINC000410457249 565686724 /nfs/dbraw/zinc/68/67/24/565686724.db2.gz FZSLVDPSLRFZAU-HNNXBMFYSA-N 0 0 395.297 3.156 20 30 GGEDRN Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)NCc2ccc(Cl)s2)o1 ZINC000329958681 565686905 /nfs/dbraw/zinc/68/69/05/565686905.db2.gz QSRSVGAAEYCHMR-QWRGUYRKSA-N 0 0 387.868 3.056 20 30 GGEDRN C=CCCCN(C)C(=O)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000410473361 565687119 /nfs/dbraw/zinc/68/71/19/565687119.db2.gz VLUNUOWEIQNMJV-MRXNPFEDSA-N 0 0 385.291 3.318 20 30 GGEDRN [O-]C(=[NH+][C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CCn2ccnc2C1 ZINC000329978962 565687187 /nfs/dbraw/zinc/68/71/87/565687187.db2.gz IPCXNVKUUYBYCO-SMDDNHRTSA-N 0 0 379.233 3.070 20 30 GGEDRN C=CC[C@H](C)NC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280659949 565687399 /nfs/dbraw/zinc/68/73/99/565687399.db2.gz ZVTJJUPELCCILA-LBPRGKRZSA-N 0 0 378.274 3.136 20 30 GGEDRN CC1(c2cccc(Cl)c2)CCN(C(=O)NC[C@H]2CCCS2(=O)=O)CC1 ZINC000329956785 565687518 /nfs/dbraw/zinc/68/75/18/565687518.db2.gz LKZWCLCOWOALAW-MRXNPFEDSA-N 0 0 384.929 3.185 20 30 GGEDRN C=CCCN(C)C(=O)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000410510828 565687804 /nfs/dbraw/zinc/68/78/04/565687804.db2.gz RFORARJHFGJVFR-OAHLLOKOSA-N 0 0 389.254 3.067 20 30 GGEDRN Cc1nn(C)c(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3C)c1Br ZINC000280676332 565688032 /nfs/dbraw/zinc/68/80/32/565688032.db2.gz PWQNKMCXDZBZSX-BQYQJAHWSA-N 0 0 388.265 3.296 20 30 GGEDRN O=C(NC[C@@]1(O)CCSC1)Nc1cccc(CSC2CCOCC2)c1 ZINC000329993622 565688143 /nfs/dbraw/zinc/68/81/43/565688143.db2.gz LQBPVHMGPYTFSD-SFHVURJKSA-N 0 0 382.551 3.293 20 30 GGEDRN CN(CCC#N)C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000280679848 565688541 /nfs/dbraw/zinc/68/85/41/565688541.db2.gz QBZPSCUUSVOUQE-UHFFFAOYSA-N 0 0 379.258 3.062 20 30 GGEDRN CC1(c2ccc(Cl)cc2)CCN(C(=O)NC[C@@H]2CCCS2(=O)=O)CC1 ZINC000329989240 565688630 /nfs/dbraw/zinc/68/86/30/565688630.db2.gz VBOBRJCAHPZWNM-INIZCTEOSA-N 0 0 384.929 3.185 20 30 GGEDRN C[C@]12CCC(=O)N1[C@@H](C(=O)NCCOc1ncc(Cl)cc1Cl)CS2 ZINC000330009339 565688672 /nfs/dbraw/zinc/68/86/72/565688672.db2.gz GENNZSXVWIAEKI-ABAIWWIYSA-N 0 0 390.292 3.178 20 30 GGEDRN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2cn(C)nc2-c2ccc(Cl)s2)CC1=O ZINC000330011223 565688712 /nfs/dbraw/zinc/68/87/12/565688712.db2.gz IPTTWXGROSAFEI-FOGDFJRCSA-N 0 0 378.885 3.116 20 30 GGEDRN N#Cc1cccc(C(=O)NC2(C(F)(F)F)CCOCC2)c1Br ZINC000410533267 565688755 /nfs/dbraw/zinc/68/87/55/565688755.db2.gz YKQUMLGHLCJJKS-UHFFFAOYSA-N 0 0 377.160 3.162 20 30 GGEDRN O=C(NC[C@@H]1CCCCS1(=O)=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC000329983068 565688841 /nfs/dbraw/zinc/68/88/41/565688841.db2.gz AUPKJXWJIMRZLR-KRWDZBQOSA-N 0 0 384.929 3.401 20 30 GGEDRN COc1ccc(Br)c(S(=O)(=O)N(CCC#N)CCC(C)C)c1 ZINC000175269179 565689055 /nfs/dbraw/zinc/68/90/55/565689055.db2.gz ANNUCMRUFSSFIH-UHFFFAOYSA-N 0 0 389.315 3.408 20 30 GGEDRN Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N1CCN(CC#N)CC1 ZINC000280704911 565689177 /nfs/dbraw/zinc/68/91/77/565689177.db2.gz SUXKBXQYYSUIKX-UHFFFAOYSA-N 0 0 379.247 3.238 20 30 GGEDRN C[C@H](C#N)CN(C)C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000280697986 565689235 /nfs/dbraw/zinc/68/92/35/565689235.db2.gz RWCZINOOKBBRJG-GFCCVEGCSA-N 0 0 393.285 3.308 20 30 GGEDRN COC(=O)c1sc(NC(=O)c2ncc(C#N)cc2Cl)nc1C(C)(C)C ZINC000410543393 565689437 /nfs/dbraw/zinc/68/94/37/565689437.db2.gz TXFFEXQZZSFSDT-UHFFFAOYSA-N 0 0 378.841 3.400 20 30 GGEDRN C[C@H](C(=O)N[C@@H]1CCSc2ccc(F)cc21)S(=O)(=O)C1CCOCC1 ZINC000330049311 565690174 /nfs/dbraw/zinc/69/01/74/565690174.db2.gz KQWKGPLYOWDONV-IAQYHMDHSA-N 0 0 387.498 3.301 20 30 GGEDRN CCN1CCN(C(=O)Nc2cccc(Br)c2)C[C@@H]1c1ncc[nH]1 ZINC000330014993 565690248 /nfs/dbraw/zinc/69/02/48/565690248.db2.gz BIGFBHLUJZLCNQ-CQSZACIVSA-N 0 0 378.274 3.097 20 30 GGEDRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@H](C)CC#N ZINC000175284626 565690655 /nfs/dbraw/zinc/69/06/55/565690655.db2.gz GBDPMYFFTUPLKB-LLVKDONJSA-N 0 0 375.270 3.343 20 30 GGEDRN C[C@@H](CC#N)N(C)C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000280710971 565690718 /nfs/dbraw/zinc/69/07/18/565690718.db2.gz SUZXRATUFTZYOU-LBPRGKRZSA-N 0 0 393.285 3.451 20 30 GGEDRN COC(=O)c1cccc(NC(=O)NCc2cccc(C#N)c2)c1Br ZINC000192425124 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ZINC000331768650 565782691 /nfs/dbraw/zinc/78/26/91/565782691.db2.gz JGFANPMFYQMOCY-OAHLLOKOSA-N 0 0 390.237 3.142 20 30 GGEDRN Cc1cc([C@@H]2CCCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)on1 ZINC000331765522 565783030 /nfs/dbraw/zinc/78/30/30/565783030.db2.gz AWXYUYRBAATRAU-AWEZNQCLSA-N 0 0 396.266 3.143 20 30 GGEDRN Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)on1 ZINC000331761981 565783105 /nfs/dbraw/zinc/78/31/05/565783105.db2.gz AABAGEXSCABPPU-AWEZNQCLSA-N 0 0 396.266 3.143 20 30 GGEDRN N#CCCCC[S@](=O)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000176557603 565783614 /nfs/dbraw/zinc/78/36/14/565783614.db2.gz PJXBPMCLKMUOQO-VWLOTQADSA-N 0 0 391.806 3.277 20 30 GGEDRN Cc1c(NC(=O)C(=O)N2CCC[C@H]3CCC[C@H]32)ccc(Br)c1C#N ZINC000331778038 565784016 /nfs/dbraw/zinc/78/40/16/565784016.db2.gz KKIYEWAQCBNJLG-MLGOLLRUSA-N 0 0 390.281 3.359 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCCCC(=O)N1 ZINC000193967594 565786071 /nfs/dbraw/zinc/78/60/71/565786071.db2.gz UOVOUXCHNAJSNM-HNNXBMFYSA-N 0 0 383.261 3.162 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 ZINC000282587438 565786694 /nfs/dbraw/zinc/78/66/94/565786694.db2.gz LRDLNUCXEPTVCA-NSHDSACASA-N 0 0 380.279 3.140 20 30 GGEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000331838066 565787060 /nfs/dbraw/zinc/78/70/60/565787060.db2.gz LRVZEWMFGSXCNK-JSGCOSHPSA-N 0 0 397.342 3.030 20 30 GGEDRN N#C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C1CCCCC1 ZINC000176596479 565787270 /nfs/dbraw/zinc/78/72/70/565787270.db2.gz ALBCAURSJZEASJ-INIZCTEOSA-N 0 0 388.265 3.493 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC000282587436 565787608 /nfs/dbraw/zinc/78/76/08/565787608.db2.gz LRDLNUCXEPTVCA-LLVKDONJSA-N 0 0 380.279 3.140 20 30 GGEDRN Cc1ncsc1CN(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282610087 565788854 /nfs/dbraw/zinc/78/88/54/565788854.db2.gz JGQFIYLHHHAUIZ-UHFFFAOYSA-N 0 0 375.397 3.163 20 30 GGEDRN N#C[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000176626984 565789643 /nfs/dbraw/zinc/78/96/43/565789643.db2.gz PPGUVVZMFGKGAG-MRXNPFEDSA-N 0 0 392.297 3.158 20 30 GGEDRN C[C@H]1CCC[C@](C#N)(NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000176609735 565789818 /nfs/dbraw/zinc/78/98/18/565789818.db2.gz VYDLMHJIKNCBTE-VOJFVSQTSA-N 0 0 388.265 3.493 20 30 GGEDRN Cc1cc([C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2C#N)on1 ZINC000331892951 565790308 /nfs/dbraw/zinc/79/03/08/565790308.db2.gz XTYYGWKSZWAXNA-CYBMUJFWSA-N 0 0 396.266 3.143 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)CC1(CC(=O)OC)CC1 ZINC000176640744 565790623 /nfs/dbraw/zinc/79/06/23/565790623.db2.gz SRYSDNARDWFLPO-UHFFFAOYSA-N 0 0 377.915 3.063 20 30 GGEDRN CCOC[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000282672433 565791754 /nfs/dbraw/zinc/79/17/54/565791754.db2.gz NVELQNIXYYKVCA-GFCCVEGCSA-N 0 0 376.400 3.014 20 30 GGEDRN CCOC[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000282672442 565792027 /nfs/dbraw/zinc/79/20/27/565792027.db2.gz NVELQNIXYYKVCA-LBPRGKRZSA-N 0 0 376.400 3.014 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(Br)cn2)c1 ZINC000194083635 565793911 /nfs/dbraw/zinc/79/39/11/565793911.db2.gz INZMKQZQMNMANR-UHFFFAOYSA-N 0 0 390.237 3.376 20 30 GGEDRN CC1(C#N)CN(S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)C1 ZINC000331958640 565795385 /nfs/dbraw/zinc/79/53/85/565795385.db2.gz JJDYEMFFERDRDA-UHFFFAOYSA-N 0 0 384.082 3.290 20 30 GGEDRN N#CC1(CS(=O)(=O)NCc2cc(Cl)c3c(c2)OCCO3)CCCCC1 ZINC000331979035 565796896 /nfs/dbraw/zinc/79/68/96/565796896.db2.gz FBIJSBPNFBLVIK-UHFFFAOYSA-N 0 0 384.885 3.005 20 30 GGEDRN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)[C@@H]2CCCC[C@H]21 ZINC000331981893 565796950 /nfs/dbraw/zinc/79/69/50/565796950.db2.gz CRHFKTSBMGJYSV-DIOULYMOSA-N 0 0 390.281 3.296 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CS[C@@H](C)C1 ZINC000412578643 565797606 /nfs/dbraw/zinc/79/76/06/565797606.db2.gz RIHVZUQQCYVYPO-JQWIXIFHSA-N 0 0 399.310 3.108 20 30 GGEDRN Cc1nc(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)sc1SCC#N ZINC000194166166 565797899 /nfs/dbraw/zinc/79/78/99/565797899.db2.gz IZASBMGCOVURQQ-JTQLQIEISA-N 0 0 378.445 3.280 20 30 GGEDRN N#CC1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000331995422 565798578 /nfs/dbraw/zinc/79/85/78/565798578.db2.gz XMMUUVPQNOYULZ-INIZCTEOSA-N 0 0 380.275 3.419 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)CN(Cc1cccc(Br)c1)C1CC1 ZINC000194175813 565799124 /nfs/dbraw/zinc/79/91/24/565799124.db2.gz XFVRKNKOFMPPFC-AWEZNQCLSA-N 0 0 378.314 3.422 20 30 GGEDRN COC(=O)[C@@H](NCc1ccc(Br)c(F)c1)c1cccc(C#N)c1 ZINC000176744181 565799102 /nfs/dbraw/zinc/79/91/02/565799102.db2.gz MNTPRYOASGRWOZ-INIZCTEOSA-N 0 0 377.213 3.464 20 30 GGEDRN COC(=O)[C@@H](NCCOc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000176741572 565799273 /nfs/dbraw/zinc/79/92/73/565799273.db2.gz FGOVKWQGTZXJTH-KRWDZBQOSA-N 0 0 389.249 3.203 20 30 GGEDRN CO[C@](C)([C@@H](C)NC(=O)COc1ccc(C#N)c(Br)c1)C1CC1 ZINC000412608394 565799410 /nfs/dbraw/zinc/79/94/10/565799410.db2.gz XMXWBAPDWJWTIZ-PIGZYNQJSA-N 0 0 381.270 3.019 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2occc2Br)cc1 ZINC000176753295 565801103 /nfs/dbraw/zinc/80/11/03/565801103.db2.gz LQDHUNPMZPQWSM-UHFFFAOYSA-N 0 0 399.266 3.101 20 30 GGEDRN N#CCCN(Cc1ccco1)C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000194211158 565801200 /nfs/dbraw/zinc/80/12/00/565801200.db2.gz LLRNHVCBISRTEF-INIZCTEOSA-N 0 0 375.222 3.288 20 30 GGEDRN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000332067789 565802881 /nfs/dbraw/zinc/80/28/81/565802881.db2.gz ULRWMAXNHLZSIW-JMSVASOKSA-N 0 0 390.281 3.439 20 30 GGEDRN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000332072303 565802890 /nfs/dbraw/zinc/80/28/90/565802890.db2.gz VHANTNNPZBAAOU-BFQNTYOBSA-N 0 0 390.281 3.439 20 30 GGEDRN C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)c2cc(Br)ccc2O1 ZINC000194255776 565803641 /nfs/dbraw/zinc/80/36/41/565803641.db2.gz XAWHCLQMOAWYMI-NSHDSACASA-N 0 0 393.262 3.297 20 30 GGEDRN N#CCCN(Cc1ccccn1)C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000194259011 565805156 /nfs/dbraw/zinc/80/51/56/565805156.db2.gz FOGFWIOBYXFKGC-KRWDZBQOSA-N 0 0 386.249 3.090 20 30 GGEDRN N#Cc1csc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000176813603 565805329 /nfs/dbraw/zinc/80/53/29/565805329.db2.gz DJJIGVAAXFAYBI-UHFFFAOYSA-N 0 0 375.475 3.047 20 30 GGEDRN C[C@@H](CNC(=O)COc1cccc(Br)c1C#N)CC(F)(F)F ZINC000412679518 565805732 /nfs/dbraw/zinc/80/57/32/565805732.db2.gz XAXXYTXMWUMNPI-SECBINFHSA-N 0 0 379.176 3.404 20 30 GGEDRN C[C@H](CC#N)N(C)S(=O)(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000283016211 565807020 /nfs/dbraw/zinc/80/70/20/565807020.db2.gz PCVFIIUGIZKJCM-GFCCVEGCSA-N 0 0 375.416 3.149 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)Nc3ccccc3Br)CC2)nc1 ZINC000194312245 565808427 /nfs/dbraw/zinc/80/84/27/565808427.db2.gz VXJIQNLPWFVMQD-UHFFFAOYSA-N 0 0 386.253 3.070 20 30 GGEDRN C[C@H](N(C)S(=O)(=O)c1cc(Br)c(C#N)cc1F)C1(C)CC1 ZINC000332156281 565810250 /nfs/dbraw/zinc/81/02/50/565810250.db2.gz PQKBICGAVPCPMQ-VIFPVBQESA-N 0 0 375.263 3.269 20 30 GGEDRN N#C[C@@H]1CCC[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000332151516 565810258 /nfs/dbraw/zinc/81/02/58/565810258.db2.gz QGNORHLJVUYNNN-IINYFYTJSA-N 0 0 377.217 3.196 20 30 GGEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000332151495 565810829 /nfs/dbraw/zinc/81/08/29/565810829.db2.gz QGNORHLJVUYNNN-HZMBPMFUSA-N 0 0 377.217 3.196 20 30 GGEDRN O=S(=O)(NCCCOCC(F)(F)F)c1ccc(F)c(C(F)(F)F)c1 ZINC000194401665 565812434 /nfs/dbraw/zinc/81/24/34/565812434.db2.gz VBLVJXNYHXLYCR-UHFFFAOYSA-N 0 0 383.285 3.092 20 30 GGEDRN COc1cc(Br)c(S(=O)(=O)NCCCCC#N)cc1Cl ZINC000176900741 565813190 /nfs/dbraw/zinc/81/31/90/565813190.db2.gz DWULNGXJDFLWES-UHFFFAOYSA-N 0 0 381.679 3.083 20 30 GGEDRN C[C@H](Cc1cccc(Br)c1)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000194435297 565814835 /nfs/dbraw/zinc/81/48/35/565814835.db2.gz PXJJMKUBSVEHJB-CYBMUJFWSA-N 0 0 393.306 3.371 20 30 GGEDRN C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(C)n(C)c1=O ZINC000412842215 565816071 /nfs/dbraw/zinc/81/60/71/565816071.db2.gz QILUSPJOVYNVGI-OAHLLOKOSA-N 0 0 389.293 3.373 20 30 GGEDRN N#Cc1csc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000176935564 565816282 /nfs/dbraw/zinc/81/62/82/565816282.db2.gz RPRHMSVSSTWARJ-MRXNPFEDSA-N 0 0 375.881 3.076 20 30 GGEDRN C=CCSCCNC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 ZINC000194484715 565818131 /nfs/dbraw/zinc/81/81/31/565818131.db2.gz HKANIULVISAXFY-UHFFFAOYSA-N 0 0 381.563 3.425 20 30 GGEDRN C=CCN(CC=C)C(=O)C(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000176957533 565818413 /nfs/dbraw/zinc/81/84/13/565818413.db2.gz MQYOTNMZVBEAIP-UHFFFAOYSA-N 0 0 381.270 3.375 20 30 GGEDRN C=CCSCCNC(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000194492744 565818477 /nfs/dbraw/zinc/81/84/77/565818477.db2.gz NFXDPMNKXOIQBM-LBPRGKRZSA-N 0 0 397.591 3.259 20 30 GGEDRN C=CCSCCNC(=O)CSc1nnc(C)n1-c1cc(C)ccc1C ZINC000194509055 565819068 /nfs/dbraw/zinc/81/90/68/565819068.db2.gz SHAWODKHOOUUGE-UHFFFAOYSA-N 0 0 376.551 3.320 20 30 GGEDRN COc1cc(OCC(=O)Nc2ccc(Br)cc2F)ccc1C#N ZINC000194498666 565819220 /nfs/dbraw/zinc/81/92/20/565819220.db2.gz LXQKHOVBFZVTDP-UHFFFAOYSA-N 0 0 379.185 3.486 20 30 GGEDRN O=C(NCCOCC(F)(F)C(F)F)Nc1ccc(OC(F)F)cc1F ZINC000283462695 565819452 /nfs/dbraw/zinc/81/94/52/565819452.db2.gz LUKBPPRPMLJDHQ-UHFFFAOYSA-N 0 0 378.244 3.466 20 30 GGEDRN Cc1cc(=O)c(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cn1C1CC1 ZINC000283550066 565821316 /nfs/dbraw/zinc/82/13/16/565821316.db2.gz UZRMFPLBKNOTMB-INIZCTEOSA-N 0 0 386.249 3.249 20 30 GGEDRN Cn1nnnc1Sc1ccc(Cl)cc1NC(=O)c1cc(C#N)cs1 ZINC000177005978 565821922 /nfs/dbraw/zinc/82/19/22/565821922.db2.gz GCGCHJZPRRNVDF-UHFFFAOYSA-N 0 0 376.854 3.200 20 30 GGEDRN CC1(C)CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC[S@]1=O ZINC000332259681 565822266 /nfs/dbraw/zinc/82/22/66/565822266.db2.gz BUPWVPLQYIMNQR-JOCHJYFZSA-N 0 0 384.299 3.086 20 30 GGEDRN N#Cc1csc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)c1 ZINC000177036639 565823780 /nfs/dbraw/zinc/82/37/80/565823780.db2.gz XSRKURKJWDYHLC-UHFFFAOYSA-N 0 0 381.866 3.065 20 30 GGEDRN C#CCN(C)C(=O)Nc1cc(OC)c(Br)cc1Br ZINC000283598804 565823876 /nfs/dbraw/zinc/82/38/76/565823876.db2.gz MMNDHPWDHJHXJC-UHFFFAOYSA-N 0 0 376.048 3.317 20 30 GGEDRN Cc1cc2cc(C(=O)NCC3CCN(CC#N)CC3)oc2c(Br)c1 ZINC000332277574 565824555 /nfs/dbraw/zinc/82/45/55/565824555.db2.gz BKHPYKLKDVDHJY-UHFFFAOYSA-N 0 0 390.281 3.469 20 30 GGEDRN CC(C)(C#N)CC(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000412970423 565826060 /nfs/dbraw/zinc/82/60/60/565826060.db2.gz LAYYEQSLEFGRCF-UHFFFAOYSA-N 0 0 378.314 3.470 20 30 GGEDRN N#Cc1csc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)c1 ZINC000177061074 565826597 /nfs/dbraw/zinc/82/65/97/565826597.db2.gz MXNKDPDORXUDMO-LBPRGKRZSA-N 0 0 376.279 3.391 20 30 GGEDRN C=CCSCCNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000194624346 565827035 /nfs/dbraw/zinc/82/70/35/565827035.db2.gz FQMSWNTXLYEZIR-HNNXBMFYSA-N 0 0 385.327 3.451 20 30 GGEDRN C=CCSCCNC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000194625828 565828295 /nfs/dbraw/zinc/82/82/95/565828295.db2.gz BYBVBDMCFPELAG-UHFFFAOYSA-N 0 0 382.917 3.014 20 30 GGEDRN N#C[C@@H]1COCCN1CC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000177106788 565828367 /nfs/dbraw/zinc/82/83/67/565828367.db2.gz VFYMHLHOMXZCID-LLVKDONJSA-N 0 0 397.287 3.280 20 30 GGEDRN C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCOCC1 ZINC000283740343 565828499 /nfs/dbraw/zinc/82/84/99/565828499.db2.gz ZTZJMEJGWSOULE-UHFFFAOYSA-N 0 0 393.285 3.032 20 30 GGEDRN C=CCn1c(=O)[nH]nc1SCc1csc(COc2ccc(F)cc2)n1 ZINC000177099334 565828549 /nfs/dbraw/zinc/82/85/49/565828549.db2.gz BYIGWGVUHQIBHW-UHFFFAOYSA-N 0 0 378.454 3.224 20 30 GGEDRN N#Cc1ncn(CCCOc2c(Br)cccc2Br)n1 ZINC000412989795 565828724 /nfs/dbraw/zinc/82/87/24/565828724.db2.gz OERAXXWCRFVIMP-UHFFFAOYSA-N 0 0 386.047 3.144 20 30 GGEDRN C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C[C@@H](C)C1 ZINC000332327775 565828950 /nfs/dbraw/zinc/82/89/50/565828950.db2.gz LRGBXCZGRJYCJB-RYUDHWBXSA-N 0 0 378.270 3.154 20 30 GGEDRN Cc1c(NC(=O)C(=O)N2C[C@@H]3CCCC[C@@H]3C2)ccc(Br)c1C#N ZINC000332319809 565828979 /nfs/dbraw/zinc/82/89/79/565828979.db2.gz OFEKURFXPZKKRK-BETUJISGSA-N 0 0 390.281 3.216 20 30 GGEDRN CN(C(=O)COc1cc(Br)ccc1C#N)C1(C#N)CCCCC1 ZINC000413020554 565830416 /nfs/dbraw/zinc/83/04/16/565830416.db2.gz MVLWCDXSKNEITR-UHFFFAOYSA-N 0 0 376.254 3.384 20 30 GGEDRN CC(C)OC(=O)CNC(=O)[C@H](C)SCc1ccc(Br)cc1C#N ZINC000413019463 565830957 /nfs/dbraw/zinc/83/09/57/565830957.db2.gz LROCRTSCVVAZLY-NSHDSACASA-N 0 0 399.310 3.010 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H](C)[C@@H]1C ZINC000177148659 565832014 /nfs/dbraw/zinc/83/20/14/565832014.db2.gz WJRFZFDGCXMKIM-RYUDHWBXSA-N 0 0 381.270 3.355 20 30 GGEDRN Cc1cc(C)c(Br)c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000332385145 565833283 /nfs/dbraw/zinc/83/32/83/565833283.db2.gz PRBFTZZLPQQUJI-UHFFFAOYSA-N 0 0 399.292 3.295 20 30 GGEDRN C[C@H](CC#N)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000194742039 565833373 /nfs/dbraw/zinc/83/33/73/565833373.db2.gz PPNANMLZKNVHIG-GFCCVEGCSA-N 0 0 377.853 3.173 20 30 GGEDRN C[C@H](CC#N)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000194745766 565833946 /nfs/dbraw/zinc/83/39/46/565833946.db2.gz FWNHAAHRKAGEJK-GFCCVEGCSA-N 0 0 377.853 3.173 20 30 GGEDRN Cc1cc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(C)cc1Br ZINC000332399855 565834163 /nfs/dbraw/zinc/83/41/63/565834163.db2.gz UXXDRUQJOXFHJD-UHFFFAOYSA-N 0 0 399.292 3.295 20 30 GGEDRN C[C@@H]1C[C@H](C)CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000332400332 565834619 /nfs/dbraw/zinc/83/46/19/565834619.db2.gz ZPWMICBKDXYGLS-VXGBXAGGSA-N 0 0 378.270 3.154 20 30 GGEDRN COc1cc(CNC(=O)Cc2ccc(C#N)cc2)cc(Br)c1OC ZINC000194765078 565834820 /nfs/dbraw/zinc/83/48/20/565834820.db2.gz FYXMXCYLDBYWMD-UHFFFAOYSA-N 0 0 389.249 3.197 20 30 GGEDRN C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C[C@@H](C)C1 ZINC000332400330 565834878 /nfs/dbraw/zinc/83/48/78/565834878.db2.gz ZPWMICBKDXYGLS-RYUDHWBXSA-N 0 0 378.270 3.154 20 30 GGEDRN CC1(C#N)CN(C(=O)Nc2cc(I)ccc2Cl)C1 ZINC000332417477 565835511 /nfs/dbraw/zinc/83/55/11/565835511.db2.gz CUSKGKGWSWXBTN-UHFFFAOYSA-N 0 0 375.597 3.322 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000283934603 565835691 /nfs/dbraw/zinc/83/56/91/565835691.db2.gz DYJVEUXPVPLBLE-MKBNYLNASA-N 0 0 385.291 3.268 20 30 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SXLVLGJQBDRMOK-ZDUSSCGKSA-N 0 0 396.310 3.351 20 30 GGEDRN COC(=O)C12CCC(C(=O)Nc3cccc(C#N)c3Br)(CC1)C2 ZINC000416073967 566033525 /nfs/dbraw/zinc/03/35/25/566033525.db2.gz BQRONEWLDBGTHM-UHFFFAOYSA-N 0 0 377.238 3.383 20 30 GGEDRN N#Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)C2CCCC2)c1Br ZINC000416076850 566033532 /nfs/dbraw/zinc/03/35/32/566033532.db2.gz IBCVEWVXEPWLPY-OAHLLOKOSA-N 0 0 390.281 3.440 20 30 GGEDRN C=CCN(C(=O)Nc1ccc(Cl)c(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000180139560 566036306 /nfs/dbraw/zinc/03/63/06/566036306.db2.gz OPSAALDHIMLAAK-LLVKDONJSA-N 0 0 394.827 3.148 20 30 GGEDRN C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H](c2ccsc2)O1 ZINC000180143802 566036536 /nfs/dbraw/zinc/03/65/36/566036536.db2.gz FFIUBYRFKRWKDY-XHDPSFHLSA-N 0 0 382.894 3.424 20 30 GGEDRN C=CCN(C(=O)Nc1ccc(Cl)c(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000180139576 566036817 /nfs/dbraw/zinc/03/68/17/566036817.db2.gz OPSAALDHIMLAAK-NSHDSACASA-N 0 0 394.827 3.148 20 30 GGEDRN N#CCC[C@H](NC(=O)NCCCn1cc(Br)cn1)c1ccccc1 ZINC000287729878 566037450 /nfs/dbraw/zinc/03/74/50/566037450.db2.gz KLEDOIAQTBBLLM-INIZCTEOSA-N 0 0 390.285 3.380 20 30 GGEDRN CCSCC[C@H](C)N(C)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000287791278 566040392 /nfs/dbraw/zinc/04/03/92/566040392.db2.gz XEVGXZVDNAXGKE-KBPBESRZSA-N 0 0 383.539 3.368 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000180176318 566041451 /nfs/dbraw/zinc/04/14/51/566041451.db2.gz CHJGGDFXYIRBKM-IAGOWNOFSA-N 0 0 380.828 3.159 20 30 GGEDRN C[C@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000180181652 566041564 /nfs/dbraw/zinc/04/15/64/566041564.db2.gz OXAVZPNWZUWZLD-CQSZACIVSA-N 0 0 378.881 3.173 20 30 GGEDRN C=CCN(C(=O)c1ccc(C(F)(F)F)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000180201888 566043985 /nfs/dbraw/zinc/04/39/85/566043985.db2.gz JRHLPFSFFAZQON-NSHDSACASA-N 0 0 381.803 3.174 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N(Cc2csc(Br)c2)C2CC2)o1 ZINC000287893954 566046445 /nfs/dbraw/zinc/04/64/45/566046445.db2.gz RPUVZGBRTJHNHI-UHFFFAOYSA-N 0 0 387.280 3.329 20 30 GGEDRN CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(Br)cc1C#N)CC2 ZINC000287920211 566047204 /nfs/dbraw/zinc/04/72/04/566047204.db2.gz WBWDLIHCXSVPPG-IRXDYDNUSA-N 0 0 379.298 3.073 20 30 GGEDRN N#Cc1cc(Br)ccc1CN1CCn2c(Br)cnc2C1 ZINC000287927704 566047249 /nfs/dbraw/zinc/04/72/49/566047249.db2.gz WOGXSWOLPMUQTK-UHFFFAOYSA-N 0 0 396.086 3.296 20 30 GGEDRN N#CCCCCNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000364379996 566048784 /nfs/dbraw/zinc/04/87/84/566048784.db2.gz CDXPWPXYUQVHLJ-AWEZNQCLSA-N 0 0 383.279 3.482 20 30 GGEDRN N#CC1(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CCOCC1 ZINC000180272646 566050018 /nfs/dbraw/zinc/05/00/18/566050018.db2.gz BIJUPQIDCHEADS-UHFFFAOYSA-N 0 0 375.881 3.443 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000416251162 566050009 /nfs/dbraw/zinc/05/00/09/566050009.db2.gz HZHYNYQHGGJHPH-WDEREUQCSA-N 0 0 390.299 3.022 20 30 GGEDRN C=CCSCCNC(=O)Nc1cccc(F)c1I ZINC000180287406 566051135 /nfs/dbraw/zinc/05/11/35/566051135.db2.gz HIJMSDBTGPUFER-UHFFFAOYSA-N 0 0 380.226 3.471 20 30 GGEDRN COC[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(F)c(F)c1 ZINC000180307764 566053756 /nfs/dbraw/zinc/05/37/56/566053756.db2.gz MEZQXTRPQVRNKC-HNNXBMFYSA-N 0 0 386.807 3.156 20 30 GGEDRN CC(C)(C)Oc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2Cl)cn1 ZINC000180337701 566055927 /nfs/dbraw/zinc/05/59/27/566055927.db2.gz HFRMOKPYSQFVSH-UHFFFAOYSA-N 0 0 379.869 3.262 20 30 GGEDRN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1Br ZINC000180335300 566056026 /nfs/dbraw/zinc/05/60/26/566056026.db2.gz XCYRPIRLYFMINJ-UHFFFAOYSA-N 0 0 393.262 3.171 20 30 GGEDRN N#CC1(CNC(=O)CCC(=O)c2ccc(I)cc2)CCC1 ZINC000416352834 566056373 /nfs/dbraw/zinc/05/63/73/566056373.db2.gz GCURUDRHDVEILV-UHFFFAOYSA-N 0 0 396.228 3.064 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1ncc(CC)s1 ZINC000288094868 566056584 /nfs/dbraw/zinc/05/65/84/566056584.db2.gz GROKQRBCXCOLNW-UHFFFAOYSA-N 0 0 383.926 3.251 20 30 GGEDRN CC(C)N(Cc1cccnc1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416372121 566058268 /nfs/dbraw/zinc/05/82/68/566058268.db2.gz OPENWPKEBUFLNQ-UHFFFAOYSA-N 0 0 394.294 3.315 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1c(C)cccc1Cl ZINC000416381770 566060229 /nfs/dbraw/zinc/06/02/29/566060229.db2.gz HTWWLSTTXFDDJM-UHFFFAOYSA-N 0 0 378.881 3.357 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)N[C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000416384673 566060317 /nfs/dbraw/zinc/06/03/17/566060317.db2.gz HYTDIROCRJASDO-JRKPZEMJSA-N 0 0 375.313 3.063 20 30 GGEDRN C[C@@H](C#N)S(=O)(=O)N[C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000416384675 566060511 /nfs/dbraw/zinc/06/05/11/566060511.db2.gz HYTDIROCRJASDO-VYUIOLGVSA-N 0 0 375.313 3.063 20 30 GGEDRN N#Cc1ccc(SCC(=O)NC(=O)NCC(F)(F)F)cc1C(F)(F)F ZINC000180385411 566060668 /nfs/dbraw/zinc/06/06/68/566060668.db2.gz YPBXIQVZUKMKTG-UHFFFAOYSA-N 0 0 385.289 3.057 20 30 GGEDRN COc1ccc(-c2nc3c(s2)[C@H](NS(=O)(=O)[C@H](C)C#N)CCC3)cc1 ZINC000416390848 566060995 /nfs/dbraw/zinc/06/09/95/566060995.db2.gz PXOZKNMKEVIOAK-IAQYHMDHSA-N 0 0 377.491 3.028 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000288181496 566061043 /nfs/dbraw/zinc/06/10/43/566061043.db2.gz NEHXYMGJTAHIEI-OZVIIMIRSA-N 0 0 385.291 3.268 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000288181490 566061078 /nfs/dbraw/zinc/06/10/78/566061078.db2.gz NEHXYMGJTAHIEI-MKBNYLNASA-N 0 0 385.291 3.268 20 30 GGEDRN COc1ccc(-c2nc3c(s2)[C@H](NS(=O)(=O)[C@@H](C)C#N)CCC3)cc1 ZINC000416390850 566061263 /nfs/dbraw/zinc/06/12/63/566061263.db2.gz PXOZKNMKEVIOAK-XHDPSFHLSA-N 0 0 377.491 3.028 20 30 GGEDRN C[C@@H](C#N)S(=O)(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 ZINC000416391803 566061436 /nfs/dbraw/zinc/06/14/36/566061436.db2.gz RYLSCMYBRDDWRD-CABZTGNLSA-N 0 0 375.313 3.160 20 30 GGEDRN CCOc1ccc(Br)cc1CN(C1CC1)S(=O)(=O)[C@@H](C)C#N ZINC000416395647 566062852 /nfs/dbraw/zinc/06/28/52/566062852.db2.gz ZMMJTEQRDNOYJR-NSHDSACASA-N 0 0 387.299 3.054 20 30 GGEDRN C[C@@H](C#N)S(=O)(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000416406870 566063468 /nfs/dbraw/zinc/06/34/68/566063468.db2.gz GXOQVYAYZOBSFM-NSHDSACASA-N 0 0 377.293 3.326 20 30 GGEDRN CS[C@@H]1CCCCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416438942 566068186 /nfs/dbraw/zinc/06/81/86/566068186.db2.gz PFRPRVLHEAQRAY-CYBMUJFWSA-N 0 0 389.340 3.227 20 30 GGEDRN CC[C@H](NS(=O)(=O)c1cc(Br)ccc1C#N)c1c(C)noc1C ZINC000416437191 566068590 /nfs/dbraw/zinc/06/85/90/566068590.db2.gz GMRCYKQYWWRWLC-ZDUSSCGKSA-N 0 0 398.282 3.355 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)N[C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000416454302 566069627 /nfs/dbraw/zinc/06/96/27/566069627.db2.gz IJYZPLIBYFUKDF-HFBAOOFYSA-N 0 0 387.908 3.224 20 30 GGEDRN CC[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416459679 566070406 /nfs/dbraw/zinc/07/04/06/566070406.db2.gz UFEKYIRDLWAAGE-SNVBAGLBSA-N 0 0 385.205 3.330 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000416459642 566070672 /nfs/dbraw/zinc/07/06/72/566070672.db2.gz TXFCIIWTBLWOMQ-LDYMZIIASA-N 0 0 385.205 3.274 20 30 GGEDRN Cc1nc(C)c(C#N)c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000248037413 566070795 /nfs/dbraw/zinc/07/07/95/566070795.db2.gz NSRGBAYEDOLESA-UHFFFAOYSA-N 0 0 377.813 3.258 20 30 GGEDRN C=CCCCCCCNC(=O)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000288359575 566070808 /nfs/dbraw/zinc/07/08/08/566070808.db2.gz WFDOOQCWGRUPPW-RUZDIDTESA-N 0 0 384.929 3.410 20 30 GGEDRN Cc1nc(C)c(-c2nnc(SCC(=O)Nc3sccc3C#N)o2)s1 ZINC000248001641 566071078 /nfs/dbraw/zinc/07/10/78/566071078.db2.gz CHXBEUKKRFZILP-UHFFFAOYSA-N 0 0 377.476 3.474 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000416475635 566072911 /nfs/dbraw/zinc/07/29/11/566072911.db2.gz VDZXRHTZXMRPML-YMTOWFKASA-N 0 0 375.263 3.261 20 30 GGEDRN C[C@@H](C#N)S(=O)(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000416478680 566072977 /nfs/dbraw/zinc/07/29/77/566072977.db2.gz CYNABNPFCVPBKG-SMDDNHRTSA-N 0 0 397.850 3.097 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000416480323 566073912 /nfs/dbraw/zinc/07/39/12/566073912.db2.gz QKHQNTCLXPTQOK-IAQYHMDHSA-N 0 0 376.400 3.005 20 30 GGEDRN Cc1ccc(Br)nc1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000364896719 566074191 /nfs/dbraw/zinc/07/41/91/566074191.db2.gz QTAMFMJPSVEBPJ-HNNXBMFYSA-N 0 0 386.249 3.238 20 30 GGEDRN CCCc1nc(C)c(CNS(=O)(=O)c2cc(Br)ccc2C#N)o1 ZINC000416482398 566074382 /nfs/dbraw/zinc/07/43/82/566074382.db2.gz FTPGZHNQMSCKLW-UHFFFAOYSA-N 0 0 398.282 3.048 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OCC1(C)C ZINC000416485427 566074979 /nfs/dbraw/zinc/07/49/79/566074979.db2.gz AVSXNVVUHSKKOQ-BXUZGUMPSA-N 0 0 376.400 3.099 20 30 GGEDRN Cc1noc(C)c1C(C)(C)NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416490234 566075785 /nfs/dbraw/zinc/07/57/85/566075785.db2.gz UWVKVFSRBNRSNH-UHFFFAOYSA-N 0 0 398.282 3.139 20 30 GGEDRN N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCCC1(F)F ZINC000416495226 566076410 /nfs/dbraw/zinc/07/64/10/566076410.db2.gz MHTOVVUPWRZBHT-SNVBAGLBSA-N 0 0 379.226 3.034 20 30 GGEDRN N#Cc1c(Br)cccc1S(=O)(=O)NCCC1CC(F)(F)C1 ZINC000416504297 566077330 /nfs/dbraw/zinc/07/73/30/566077330.db2.gz ZUXAWRFERDZKIA-UHFFFAOYSA-N 0 0 379.226 3.034 20 30 GGEDRN CC1(C)C[C@H](CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000416504356 566077449 /nfs/dbraw/zinc/07/74/49/566077449.db2.gz UHQQKNIRLYYUCM-GFCCVEGCSA-N 0 0 376.400 3.061 20 30 GGEDRN CC1(C)C[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000416504357 566077643 /nfs/dbraw/zinc/07/76/43/566077643.db2.gz UHQQKNIRLYYUCM-LBPRGKRZSA-N 0 0 376.400 3.061 20 30 GGEDRN CC(C)[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1Cl)C1(CO)CCCC1 ZINC000416509471 566078905 /nfs/dbraw/zinc/07/89/05/566078905.db2.gz ROMOONBGMBPHHY-QGZVFWFLSA-N 0 0 384.929 3.262 20 30 GGEDRN Cc1c(Br)ccc2c1N(S(=O)(=O)c1ccc(C#N)o1)CCC2 ZINC000416506322 566079197 /nfs/dbraw/zinc/07/91/97/566079197.db2.gz GCEJQMLSSVKWMR-UHFFFAOYSA-N 0 0 381.251 3.364 20 30 GGEDRN N#Cc1ccc(Br)c(CN2CCC[C@@H](N3CCCCC3=O)C2)c1 ZINC000365048915 566080100 /nfs/dbraw/zinc/08/01/00/566080100.db2.gz 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/nfs/dbraw/zinc/46/48/57/566464857.db2.gz CMJSVHBLCMRNSC-KSSFIOAISA-N 0 0 379.298 3.453 20 30 GGEDRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@]1(C#N)CC1(C)C ZINC000484915948 566465176 /nfs/dbraw/zinc/46/51/76/566465176.db2.gz CMJSVHBLCMRNSC-RDTXWAMCSA-N 0 0 379.298 3.453 20 30 GGEDRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@](C)(C#N)CCOC ZINC000577796959 566465269 /nfs/dbraw/zinc/46/52/69/566465269.db2.gz DQAZPNANPYLHAS-QAPCUYQASA-N 0 0 397.313 3.079 20 30 GGEDRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@]1(C#N)CC1(C)C ZINC000484915946 566465560 /nfs/dbraw/zinc/46/55/60/566465560.db2.gz CMJSVHBLCMRNSC-KDOFPFPSSA-N 0 0 379.298 3.453 20 30 GGEDRN N#Cc1ccc(C(=O)N(CCN2CCOCC2)c2ccccc2Cl)s1 ZINC000602384868 566467572 /nfs/dbraw/zinc/46/75/72/566467572.db2.gz FPFDRUCDJUEXLK-UHFFFAOYSA-N 0 0 375.881 3.252 20 30 GGEDRN CN(CCc1cccs1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000464348042 566467753 /nfs/dbraw/zinc/46/77/53/566467753.db2.gz JQIZXUNMSBIPOE-UHFFFAOYSA-N 0 0 376.503 3.140 20 30 GGEDRN C=CCOc1c(Br)cc(CN(CCC)CC(=O)N(C)C)cc1OC ZINC000511503147 566468079 /nfs/dbraw/zinc/46/80/79/566468079.db2.gz GLICWSFRXZCZGD-UHFFFAOYSA-N 0 0 399.329 3.323 20 30 GGEDRN C=CCn1cc(CNC(=O)N(C)Cc2ccc(Br)cc2Cl)nn1 ZINC000577843892 566468787 /nfs/dbraw/zinc/46/87/87/566468787.db2.gz QHFZXFPNGSAPAQ-UHFFFAOYSA-N 0 0 398.692 3.222 20 30 GGEDRN Cn1cc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c(-c2ccoc2)n1 ZINC000448340461 566469593 /nfs/dbraw/zinc/46/95/93/566469593.db2.gz CAUZYZGENCOSFZ-HNNXBMFYSA-N 0 0 385.221 3.437 20 30 GGEDRN CN(CC(=O)NCc1cccc(C#N)c1)Cc1ccc(F)cc1Br ZINC000485019804 566469765 /nfs/dbraw/zinc/46/97/65/566469765.db2.gz AUOWIMMUZHLLHL-UHFFFAOYSA-N 0 0 390.256 3.208 20 30 GGEDRN N#Cc1cccc(CN2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)n1 ZINC000602434511 566470023 /nfs/dbraw/zinc/47/00/23/566470023.db2.gz FQTILRKITYDEBF-UHFFFAOYSA-N 0 0 375.259 3.218 20 30 GGEDRN COC(=O)c1cc(Br)cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000464403231 566472021 /nfs/dbraw/zinc/47/20/21/566472021.db2.gz ZRHJZGDSKPOYGB-DIFFPNOSSA-N 0 0 379.254 3.438 20 30 GGEDRN COC(=O)c1cc(Br)cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1 ZINC000464403229 566472450 /nfs/dbraw/zinc/47/24/50/566472450.db2.gz ZRHJZGDSKPOYGB-APPDUMDISA-N 0 0 379.254 3.438 20 30 GGEDRN O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N[C@H](CO)CC(F)(F)F ZINC000511568541 566472884 /nfs/dbraw/zinc/47/28/84/566472884.db2.gz VKDXQUZEBYKUOP-WDEREUQCSA-N 0 0 376.272 3.432 20 30 GGEDRN COc1cc(Br)cc(S(=O)(=O)N[C@](C)(C#N)C(C)(C)C)c1 ZINC000464415153 566473999 /nfs/dbraw/zinc/47/39/99/566473999.db2.gz SZXQJVQCLVTHQA-CQSZACIVSA-N 0 0 375.288 3.064 20 30 GGEDRN COc1cc(S(=O)(=O)N[C@](C)(C#N)C(C)(C)C)ccc1Br ZINC000464415592 566474171 /nfs/dbraw/zinc/47/41/71/566474171.db2.gz YWVVIMJOVOGGDQ-CQSZACIVSA-N 0 0 375.288 3.064 20 30 GGEDRN N#CCC1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000558460032 566474312 /nfs/dbraw/zinc/47/43/12/566474312.db2.gz VJFOZDXZLSASOX-UHFFFAOYSA-N 0 0 385.205 3.325 20 30 GGEDRN C=CCn1c(-c2cnn(C)c2)nnc1N1CCc2c(Br)cccc2C1 ZINC000558455845 566474836 /nfs/dbraw/zinc/47/48/36/566474836.db2.gz JJHIFFWOFADUID-UHFFFAOYSA-N 0 0 399.296 3.190 20 30 GGEDRN COc1ccc(Br)c(S(=O)(=O)N[C@](C)(C#N)C(C)(C)C)c1 ZINC000464422037 566475874 /nfs/dbraw/zinc/47/58/74/566475874.db2.gz UDANYZTXRBQVEI-CQSZACIVSA-N 0 0 375.288 3.064 20 30 GGEDRN Cc1c(I)cn(Cc2csc(C(C)C)n2)c(=O)c1C#N ZINC000558462127 566476225 /nfs/dbraw/zinc/47/62/25/566476225.db2.gz OEVWHFSAGJXWRH-UHFFFAOYSA-N 0 0 399.257 3.261 20 30 GGEDRN N#C[C@@H]1CN(C(=O)COc2ccsc2Cl)CCN1Cc1ccccc1 ZINC000577943312 566477981 /nfs/dbraw/zinc/47/79/81/566477981.db2.gz OBFMRDVEEGJKIW-OAHLLOKOSA-N 0 0 375.881 3.017 20 30 GGEDRN C=CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000448576069 566478282 /nfs/dbraw/zinc/47/82/82/566478282.db2.gz YAPGQZJIKFRKOV-UHFFFAOYSA-N 0 0 391.320 3.039 20 30 GGEDRN CN(C)C[C@](C)(C#N)NC(=O)Cc1csc2ccc(Br)cc12 ZINC000577956049 566479553 /nfs/dbraw/zinc/47/95/53/566479553.db2.gz PSPLEGGZCWCNBI-INIZCTEOSA-N 0 0 380.311 3.166 20 30 GGEDRN CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000577982012 566480700 /nfs/dbraw/zinc/48/07/00/566480700.db2.gz FJDQOLHPYBVDPZ-UHFFFAOYSA-N 0 0 393.262 3.367 20 30 GGEDRN N#Cc1cccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1Br ZINC000448586354 566480635 /nfs/dbraw/zinc/48/06/35/566480635.db2.gz XHPXVJXCYHHQGU-OAHLLOKOSA-N 0 0 388.265 3.481 20 30 GGEDRN N#Cc1cccc(C(=O)N2CCN(Cc3cccs3)CC2)c1Br ZINC000448591008 566480786 /nfs/dbraw/zinc/48/07/86/566480786.db2.gz VFHUAUNCRHZRPK-UHFFFAOYSA-N 0 0 390.306 3.340 20 30 GGEDRN C=CCN(C(=O)COc1c(Br)cc(C#N)cc1OCC)C1CC1 ZINC000537931513 566481089 /nfs/dbraw/zinc/48/10/89/566481089.db2.gz USHPSSRZDLUDRR-UHFFFAOYSA-N 0 0 379.254 3.275 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000558511934 566481165 /nfs/dbraw/zinc/48/11/65/566481165.db2.gz VEBVHTKMPFLKEX-UHFFFAOYSA-N 0 0 396.244 3.434 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3C#N)CC2)cc1 ZINC000511684728 566481974 /nfs/dbraw/zinc/48/19/74/566481974.db2.gz XWAJHDJSMLTPEA-UHFFFAOYSA-N 0 0 375.881 3.031 20 30 GGEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cc(Br)cs2)n1 ZINC000511694337 566483502 /nfs/dbraw/zinc/48/35/02/566483502.db2.gz ZYFPFBRHXSWUEG-UHFFFAOYSA-N 0 0 391.225 3.381 20 30 GGEDRN Cc1ccsc1CCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000537998227 566484718 /nfs/dbraw/zinc/48/47/18/566484718.db2.gz NPSACIBGXSOKAQ-UHFFFAOYSA-N 0 0 376.503 3.107 20 30 GGEDRN N#Cc1cc(Br)ccc1C(=O)NCCN1CCc2ccccc2C1 ZINC000448654577 566485354 /nfs/dbraw/zinc/48/53/54/566485354.db2.gz IJPVEFIPOKJGIF-UHFFFAOYSA-N 0 0 384.277 3.109 20 30 GGEDRN N#Cc1c(Cl)cccc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000511735502 566485419 /nfs/dbraw/zinc/48/54/19/566485419.db2.gz DVBPZISQQDFPFL-UHFFFAOYSA-N 0 0 375.881 3.113 20 30 GGEDRN CC(=O)NCCN(Cc1cccc(C#N)n1)Cc1ccc(Cl)cc1Cl ZINC000602655106 566485780 /nfs/dbraw/zinc/48/57/80/566485780.db2.gz YNZSFYSKVRBZAF-UHFFFAOYSA-N 0 0 377.275 3.398 20 30 GGEDRN N#Cc1cccc(C(=O)NCCN2CCc3ccccc3C2)c1Br ZINC000448653907 566486059 /nfs/dbraw/zinc/48/60/59/566486059.db2.gz DXMNXLANSXMYRA-UHFFFAOYSA-N 0 0 384.277 3.109 20 30 GGEDRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NS(=O)(=O)CCCCC#N ZINC000538012238 566486032 /nfs/dbraw/zinc/48/60/32/566486032.db2.gz OMUVBKFDAOSIRU-DOMZBBRYSA-N 0 0 389.315 3.138 20 30 GGEDRN C=CCOC[C@H](NCc1cc(C(F)(F)F)ccc1Br)C(=O)OC ZINC000558570977 566486383 /nfs/dbraw/zinc/48/63/83/566486383.db2.gz GJADXRKFEGIWQS-ZDUSSCGKSA-N 0 0 396.203 3.302 20 30 GGEDRN C=CC[C@@H](CC)NC(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000627554530 566486606 /nfs/dbraw/zinc/48/66/06/566486606.db2.gz QFDXZFIWTVZNOD-CYBMUJFWSA-N 0 0 377.282 3.298 20 30 GGEDRN C=C[C@](C)(O)CC(=O)Nc1nc2ccc(I)cc2s1 ZINC000558566785 566486864 /nfs/dbraw/zinc/48/68/64/566486864.db2.gz QNCBJOAVQQIUIJ-ZDUSSCGKSA-N 0 0 388.230 3.167 20 30 GGEDRN CNC(=O)c1cccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c1Br ZINC000464574230 566487463 /nfs/dbraw/zinc/48/74/63/566487463.db2.gz ZXJBVBGTFJOWIA-LLVKDONJSA-N 0 0 386.249 3.423 20 30 GGEDRN CCCCNC(=O)C1CCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000448701932 566487781 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COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(C#N)c1Br ZINC000448734693 566491365 /nfs/dbraw/zinc/49/13/65/566491365.db2.gz IHOHVDWMXHKORK-UGFHNGPFSA-N 0 0 391.265 3.267 20 30 GGEDRN C=C[C@H](C)NC(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000672463833 566491562 /nfs/dbraw/zinc/49/15/62/566491562.db2.gz NEMCJKUOLMSIBQ-DZGCQCFKSA-N 0 0 394.313 3.435 20 30 GGEDRN C=C(CNC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000672480000 566491716 /nfs/dbraw/zinc/49/17/16/566491716.db2.gz UGACOBOSZGVISK-UHFFFAOYSA-N 0 0 387.277 3.399 20 30 GGEDRN C=C[C@](C)(O)CC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000578103183 566491796 /nfs/dbraw/zinc/49/17/96/566491796.db2.gz RNMNHGOQCRMZSX-AWEZNQCLSA-N 0 0 386.246 3.372 20 30 GGEDRN CC(C)(CCC#N)CNC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000485385811 566494123 /nfs/dbraw/zinc/49/41/23/566494123.db2.gz OKXWEHVZCZKZBV-UHFFFAOYSA-N 0 0 382.258 3.307 20 30 GGEDRN Cc1nc(CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)[nH]c1C ZINC000602802334 566494391 /nfs/dbraw/zinc/49/43/91/566494391.db2.gz 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CC(C)Oc1ccc(NC(=O)NCc2c(Br)cnn2C)cc1C#N ZINC000602907298 566499823 /nfs/dbraw/zinc/49/98/23/566499823.db2.gz MDIOIYITDYCGOA-UHFFFAOYSA-N 0 0 392.257 3.163 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)N[C@@H](CC)CSC)nnc1-c1ccco1 ZINC000538245081 566500385 /nfs/dbraw/zinc/50/03/85/566500385.db2.gz RPVRZGBJUHMPDD-ZDUSSCGKSA-N 0 0 380.539 3.464 20 30 GGEDRN C[C@@H](N[C@@H](C(N)=O)c1ccc(Br)cc1F)c1ccc(C#N)cc1 ZINC000578208155 566501345 /nfs/dbraw/zinc/50/13/45/566501345.db2.gz BDOPBBFYUAFKSG-QLJPJBMISA-N 0 0 376.229 3.337 20 30 GGEDRN CC(C)(C)[C@H](C#N)NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000464716094 566501752 /nfs/dbraw/zinc/50/17/52/566501752.db2.gz YWGQAHPHRGGSPC-HOTGVXAUSA-N 0 0 384.307 3.421 20 30 GGEDRN CC(=O)NCCN(Cc1ccsc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000558733232 566502214 /nfs/dbraw/zinc/50/22/14/566502214.db2.gz XOGMAOJVHCBTPJ-UHFFFAOYSA-N 0 0 376.869 3.443 20 30 GGEDRN N#Cc1ccc(CNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)cc1 ZINC000485484713 566502886 /nfs/dbraw/zinc/50/28/86/566502886.db2.gz 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N#CCC1(CNC(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000578299164 566509918 /nfs/dbraw/zinc/50/99/18/566509918.db2.gz SMTOZBHLOAGPIZ-UHFFFAOYSA-N 0 0 375.782 3.159 20 30 GGEDRN N#Cc1cccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)c1Br ZINC000448907621 566510068 /nfs/dbraw/zinc/51/00/68/566510068.db2.gz DIGUZGMEKYUVOQ-ZIAGYGMSSA-N 0 0 395.322 3.447 20 30 GGEDRN Cc1cc(NC(=O)N[C@H](c2cncc(Br)c2)C2CC2)ncc1C#N ZINC000603113030 566510802 /nfs/dbraw/zinc/51/08/02/566510802.db2.gz LZHOOLAIWKEYLT-INIZCTEOSA-N 0 0 386.253 3.114 20 30 GGEDRN Cc1cc(NC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)ncc1C#N ZINC000603113031 566510847 /nfs/dbraw/zinc/51/08/47/566510847.db2.gz LZHOOLAIWKEYLT-MRXNPFEDSA-N 0 0 386.253 3.114 20 30 GGEDRN CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2cccc(C#N)c2Br)C1 ZINC000448922479 566512698 /nfs/dbraw/zinc/51/26/98/566512698.db2.gz QRQAYLIULNJCAF-ZDUSSCGKSA-N 0 0 392.297 3.088 20 30 GGEDRN C=CC[C@H](CC)NC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000578330664 566512967 /nfs/dbraw/zinc/51/29/67/566512967.db2.gz 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C=CCn1cc(CNCc2cc(Br)cc(C)c2OC(F)F)nn1 ZINC000424175587 566517518 /nfs/dbraw/zinc/51/75/18/566517518.db2.gz VJHCSPLDRPHKTC-UHFFFAOYSA-N 0 0 387.228 3.426 20 30 GGEDRN O=C(C1CCN(CC(F)F)CC1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000672951325 566517597 /nfs/dbraw/zinc/51/75/97/566517597.db2.gz ZYOGQIOIUSZWRY-NXEZZACHSA-N 0 0 382.295 3.163 20 30 GGEDRN C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 ZINC000558996063 566517700 /nfs/dbraw/zinc/51/77/00/566517700.db2.gz YEMMPIDRUWLMCM-ZDUSSCGKSA-N 0 0 388.269 3.012 20 30 GGEDRN N#Cc1ccnc(NCCC(=O)Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC000558982541 566517882 /nfs/dbraw/zinc/51/78/82/566517882.db2.gz SNBCZSRQHWHKMT-UHFFFAOYSA-N 0 0 380.191 3.031 20 30 GGEDRN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](CC)C1 ZINC000558986576 566517977 /nfs/dbraw/zinc/51/79/77/566517977.db2.gz MJTBSMNKECPBHD-CYBMUJFWSA-N 0 0 380.290 3.227 20 30 GGEDRN C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 ZINC000558996062 566518175 /nfs/dbraw/zinc/51/81/75/566518175.db2.gz YEMMPIDRUWLMCM-CYBMUJFWSA-N 0 0 388.269 3.012 20 30 GGEDRN C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000512162345 566518902 /nfs/dbraw/zinc/51/89/02/566518902.db2.gz JHEPCLKOEFLKJB-QGZVFWFLSA-N 0 0 393.281 3.139 20 30 GGEDRN N#Cc1ccc(NC[C@@H]2CCCC[C@@H]2C(F)(F)F)c(CS(N)(=O)=O)c1 ZINC000603310862 566518995 /nfs/dbraw/zinc/51/89/95/566518995.db2.gz MWYSITMFHLZSKU-JSGCOSHPSA-N 0 0 375.416 3.127 20 30 GGEDRN O=C(NCC#Cc1cccc(F)c1)NCCNc1ncc(Cl)cc1Cl ZINC000512182200 566519177 /nfs/dbraw/zinc/51/91/77/566519177.db2.gz IQNAPJNDTKKOKS-UHFFFAOYSA-N 0 0 381.238 3.290 20 30 GGEDRN CCSCC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000465099997 566519686 /nfs/dbraw/zinc/51/96/86/566519686.db2.gz AWWDPPVECMNYID-OAHLLOKOSA-N 0 0 382.551 3.368 20 30 GGEDRN C=C[C@H](C)NC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000465119712 566519930 /nfs/dbraw/zinc/51/99/30/566519930.db2.gz LVDHDFZQAVFHDF-XHDPSFHLSA-N 0 0 383.261 3.274 20 30 GGEDRN C=C[C@@H](C)NC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 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3.172 20 30 GGEDRN COC(=O)[C@@H]1CN(Cc2cc(C#N)ccc2Br)c2ccccc2O1 ZINC000578832847 566557802 /nfs/dbraw/zinc/55/78/02/566557802.db2.gz SQPADRUXGWLCQO-KRWDZBQOSA-N 0 0 387.233 3.261 20 30 GGEDRN C=CCCn1cc(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)nn1 ZINC000424688406 566558329 /nfs/dbraw/zinc/55/83/29/566558329.db2.gz ROEOVMOJHODLBN-UHFFFAOYSA-N 0 0 389.297 3.421 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000604279288 566559275 /nfs/dbraw/zinc/55/92/75/566559275.db2.gz QVGMTFZTGPAZFI-PHIMTYICSA-N 0 0 386.317 3.310 20 30 GGEDRN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1nc(-c2sc(C)nc2C)cs1 ZINC000651760032 566560034 /nfs/dbraw/zinc/56/00/34/566560034.db2.gz MJQYGLBXUYSRDA-GFCCVEGCSA-N 0 0 376.507 3.389 20 30 GGEDRN Cc1sc2nc(CS[C@@H](C)C(=O)NCC3(C#N)CC3)[nH]c(=O)c2c1C ZINC000559609737 566560409 /nfs/dbraw/zinc/56/04/09/566560409.db2.gz CIRWYPMBDCMEIE-NSHDSACASA-N 0 0 376.507 3.055 20 30 GGEDRN C[C@@H](c1ccco1)N(C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000559595019 566560543 /nfs/dbraw/zinc/56/05/43/566560543.db2.gz YMGYIJJQAFLKNU-JTQLQIEISA-N 0 0 376.210 3.072 20 30 GGEDRN Cc1csc([C@H](C)NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)n1 ZINC000559604231 566561189 /nfs/dbraw/zinc/56/11/89/566561189.db2.gz AVAJFHNXAPSIQV-JTQLQIEISA-N 0 0 376.507 3.498 20 30 GGEDRN CC(C)(C)[C@@](C)(C#N)NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000486145056 566562295 /nfs/dbraw/zinc/56/22/95/566562295.db2.gz PVWBNIWQTXDLRY-SJKOYZFVSA-N 0 0 378.270 3.319 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H](C)C1CC1 ZINC000604395849 566563240 /nfs/dbraw/zinc/56/32/40/566563240.db2.gz FIATZTPEIIKOND-NSHDSACASA-N 0 0 381.270 3.261 20 30 GGEDRN N#Cc1ccsc1NC(=O)C(=O)NC1(c2cccc(Br)c2)CC1 ZINC000559639774 566563607 /nfs/dbraw/zinc/56/36/07/566563607.db2.gz HSQBCJIODUOPFY-UHFFFAOYSA-N 0 0 390.262 3.126 20 30 GGEDRN C[C@@H](NC(=O)C(=O)NCc1cccc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000559633466 566563769 /nfs/dbraw/zinc/56/37/69/566563769.db2.gz RHOIIQGJDYZFBC-LLVKDONJSA-N 0 0 376.243 3.359 20 30 GGEDRN O=S(=O)(c1ncccc1C(F)(F)F)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000651802559 566563977 /nfs/dbraw/zinc/56/39/77/566563977.db2.gz WELWZOIAIFDTNZ-UHFFFAOYSA-N 0 0 392.296 3.156 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCSC23CCCCC3)cc1 ZINC000578932979 566565345 /nfs/dbraw/zinc/56/53/45/566565345.db2.gz XZVAXYDDGPNFDI-UHFFFAOYSA-N 0 0 380.535 3.000 20 30 GGEDRN Cc1nc(CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)sc1C ZINC000559658571 566565397 /nfs/dbraw/zinc/56/53/97/566565397.db2.gz ZGSCVWNCKYVIMN-UHFFFAOYSA-N 0 0 376.507 3.246 20 30 GGEDRN N#Cc1ccncc1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000578932033 566565510 /nfs/dbraw/zinc/56/55/10/566565510.db2.gz DOAMXLQZIDEEOX-UHFFFAOYSA-N 0 0 386.234 3.487 20 30 GGEDRN CN(CCc1cccs1)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000559657284 566565903 /nfs/dbraw/zinc/56/59/03/566565903.db2.gz OACQAJLWRHGIAB-UHFFFAOYSA-N 0 0 392.278 3.022 20 30 GGEDRN Cc1oc(Br)cc1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000424745791 566566314 /nfs/dbraw/zinc/56/63/14/566566314.db2.gz KGIMSVLTDBRKMD-OAHLLOKOSA-N 0 0 375.222 3.436 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC000604467242 566566339 /nfs/dbraw/zinc/56/63/39/566566339.db2.gz ZQDUJWNBZMUONL-OAHLLOKOSA-N 0 0 375.881 3.016 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1 ZINC000604467243 566566558 /nfs/dbraw/zinc/56/65/58/566566558.db2.gz ZSDBKWYEJMKUCK-HNNXBMFYSA-N 0 0 375.881 3.016 20 30 GGEDRN C[C@@H]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc(Br)c(C#N)c3)C2)C1 ZINC000559729850 566567454 /nfs/dbraw/zinc/56/74/54/566567454.db2.gz GCJHDQROZFYZHV-XIKOKIGWSA-N 0 0 390.281 3.298 20 30 GGEDRN C[C@H]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc(Br)c(C#N)c3)C2)C1 ZINC000559729849 566567765 /nfs/dbraw/zinc/56/77/65/566567765.db2.gz GCJHDQROZFYZHV-SGTLLEGYSA-N 0 0 390.281 3.298 20 30 GGEDRN C[C@@H](Cc1cc(Br)ccc1F)NS(=O)(=O)CCC(C)(C)C#N ZINC000578938873 566567653 /nfs/dbraw/zinc/56/76/53/566567653.db2.gz OHZIHGOPDIXZHF-NSHDSACASA-N 0 0 391.306 3.378 20 30 GGEDRN COc1ccc(Br)c([C@H](CO)N(C)Cc2ccccc2C#N)c1 ZINC000449476158 566568281 /nfs/dbraw/zinc/56/82/81/566568281.db2.gz ZECUPPLAVVYDAR-SFHVURJKSA-N 0 0 375.266 3.495 20 30 GGEDRN CC(C)(C#N)CNC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000512894339 566568238 /nfs/dbraw/zinc/56/82/38/566568238.db2.gz GDFLJPDAPVUIPI-CQSZACIVSA-N 0 0 384.249 3.221 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000559777051 566568609 /nfs/dbraw/zinc/56/86/09/566568609.db2.gz MYPNKLJNNNTBOG-SECBINFHSA-N 0 0 377.750 3.185 20 30 GGEDRN N#C[C@@H]1CN(C(=O)c2cscc2Br)CCN1Cc1ccccc1 ZINC000512944733 566568665 /nfs/dbraw/zinc/56/86/65/566568665.db2.gz HMVXZVQNDRVYOR-CQSZACIVSA-N 0 0 390.306 3.361 20 30 GGEDRN CC(C)c1nc(C(=O)N[C@@]2(C#N)CCSC2)nn1-c1ccccc1Cl ZINC000604525578 566568736 /nfs/dbraw/zinc/56/87/36/566568736.db2.gz WTGNYCBMUVMZIL-QGZVFWFLSA-N 0 0 375.885 3.173 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000604514368 566569248 /nfs/dbraw/zinc/56/92/48/566569248.db2.gz GBZOLHVQHTWINJ-UHFFFAOYSA-N 0 0 378.215 3.129 20 30 GGEDRN N#Cc1cccc(CN2CCNC(=O)[C@H]2c2ccccc2Br)c1F ZINC000539220932 566569338 /nfs/dbraw/zinc/56/93/38/566569338.db2.gz JKYCNRUJVLSEIO-QGZVFWFLSA-N 0 0 388.240 3.133 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1c1ccc(Br)cn1 ZINC000559777787 566569675 /nfs/dbraw/zinc/56/96/75/566569675.db2.gz UOYPGAKCUXTYSS-WBVHZDCISA-N 0 0 379.302 3.035 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000559791603 566570262 /nfs/dbraw/zinc/57/02/62/566570262.db2.gz VVVRBPKYMREFEY-UHFFFAOYSA-N 0 0 380.897 3.184 20 30 GGEDRN N#C[C@]1(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)CCSC1 ZINC000604544736 566570326 /nfs/dbraw/zinc/57/03/26/566570326.db2.gz HRWVIDZTKIQJFC-QGZVFWFLSA-N 0 0 393.921 3.433 20 30 GGEDRN C=CCCn1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)nn1 ZINC000424787747 566570478 /nfs/dbraw/zinc/57/04/78/566570478.db2.gz FRADYHHUJQHHLX-ZDUSSCGKSA-N 0 0 380.279 3.170 20 30 GGEDRN COC(=O)[C@H](NCc1cccc(C#N)c1F)c1ccc(Br)cc1 ZINC000539249855 566570513 /nfs/dbraw/zinc/57/05/13/566570513.db2.gz KXSOBROVSHIVOX-MRXNPFEDSA-N 0 0 377.213 3.464 20 30 GGEDRN N#Cc1cccc(CN2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000604549536 566570934 /nfs/dbraw/zinc/57/09/34/566570934.db2.gz POXNPPIJSAJNPH-UHFFFAOYSA-N 0 0 395.937 3.170 20 30 GGEDRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCSC[C@H]1C#N ZINC000539329728 566573384 /nfs/dbraw/zinc/57/33/84/566573384.db2.gz MCBFCNOXVNVCLY-CQSZACIVSA-N 0 0 391.294 3.024 20 30 GGEDRN C=CC[C@@H](CO)CNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000539322424 566573598 /nfs/dbraw/zinc/57/35/98/566573598.db2.gz ROYIZFVNAOZMAR-CYBMUJFWSA-N 0 0 380.897 3.219 20 30 GGEDRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCSC[C@@H]1C#N ZINC000539329881 566574114 /nfs/dbraw/zinc/57/41/14/566574114.db2.gz LSVLPYYIYIDXOY-ONGXEEELSA-N 0 0 389.702 3.337 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@@H]2CSc3ccc(Br)cc32)o1 ZINC000579038756 566575029 /nfs/dbraw/zinc/57/50/29/566575029.db2.gz SFZGRFUZSLIASR-LLVKDONJSA-N 0 0 385.264 3.039 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cncc(F)c1 ZINC000466445087 566576352 /nfs/dbraw/zinc/57/63/52/566576352.db2.gz CYSQGKKQYGHGKD-UHFFFAOYSA-N 0 0 394.200 3.271 20 30 GGEDRN N#Cc1ccc(NCC(=O)NCCSCc2ccc(Cl)cc2Cl)nc1 ZINC000539363690 566577674 /nfs/dbraw/zinc/57/76/74/566577674.db2.gz DJVVOSDSEFJFNI-UHFFFAOYSA-N 0 0 395.315 3.143 20 30 GGEDRN Cc1sc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1Br ZINC000424840641 566578262 /nfs/dbraw/zinc/57/82/62/566578262.db2.gz YIZJOQAKTUYCFH-LBPRGKRZSA-N 0 0 392.278 3.379 20 30 GGEDRN C=CCN1CC[C@H](N(C)c2ccc3cc(Br)c(F)cc3n2)C1=O ZINC000513065511 566578295 /nfs/dbraw/zinc/57/82/95/566578295.db2.gz SRNGAUCXIPHGPV-HNNXBMFYSA-N 0 0 378.245 3.360 20 30 GGEDRN C=CCCC[C@H](C)NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000539385959 566578388 /nfs/dbraw/zinc/57/83/88/566578388.db2.gz UNYZZDOZDHQTJF-NSHDSACASA-N 0 0 390.299 3.243 20 30 GGEDRN COC(=O)c1c(C)c(NC(=O)c2ccc(C#N)c(C)n2)ccc1Br ZINC000486335689 566579162 /nfs/dbraw/zinc/57/91/62/566579162.db2.gz PYFCKTBKYKEPDK-UHFFFAOYSA-N 0 0 388.221 3.372 20 30 GGEDRN C=CCn1c(SC[C@@H]2CCCS(=O)(=O)C2)nnc1-c1ccccc1F ZINC000559962295 566579504 /nfs/dbraw/zinc/57/95/04/566579504.db2.gz IYGSMRJYXOFTFK-ZDUSSCGKSA-N 0 0 381.498 3.187 20 30 GGEDRN CCS(=O)(=O)c1cccc(CNC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000466494648 566579906 /nfs/dbraw/zinc/57/99/06/566579906.db2.gz FOJWGZCPFMKJSF-UHFFFAOYSA-N 0 0 377.853 3.327 20 30 GGEDRN CC(C)(CCC#N)CNC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000513122189 566580992 /nfs/dbraw/zinc/58/09/92/566580992.db2.gz COUKAKIZGZTLQJ-OAHLLOKOSA-N 0 0 396.329 3.229 20 30 GGEDRN CC(C)(CCC#N)CNC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000513122188 566581014 /nfs/dbraw/zinc/58/10/14/566581014.db2.gz COUKAKIZGZTLQJ-HNNXBMFYSA-N 0 0 396.329 3.229 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000539426728 566581967 /nfs/dbraw/zinc/58/19/67/566581967.db2.gz PASXWKPSRQYMRX-VXGBXAGGSA-N 0 0 393.281 3.295 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000539426725 566582398 /nfs/dbraw/zinc/58/23/98/566582398.db2.gz PASXWKPSRQYMRX-NEPJUHHUSA-N 0 0 393.281 3.295 20 30 GGEDRN Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000486378430 566582731 /nfs/dbraw/zinc/58/27/31/566582731.db2.gz KZNRIFXFLQSSGA-LBPRGKRZSA-N 0 0 386.249 3.445 20 30 GGEDRN C=C(C)C(C)(C)C(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000424875652 566582804 /nfs/dbraw/zinc/58/28/04/566582804.db2.gz PUHVRHRLARUECI-CQSZACIVSA-N 0 0 384.314 3.327 20 30 GGEDRN C=C(C)C(C)(C)C(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC ZINC000424868954 566582835 /nfs/dbraw/zinc/58/28/35/566582835.db2.gz VALTYGPXDDYQLH-CYBMUJFWSA-N 0 0 384.314 3.327 20 30 GGEDRN CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000579144663 566584000 /nfs/dbraw/zinc/58/40/00/566584000.db2.gz MCTGGTNEKOGMRT-DOMZBBRYSA-N 0 0 375.416 3.097 20 30 GGEDRN CN(CCC#N)S(=O)(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000466560331 566584273 /nfs/dbraw/zinc/58/42/73/566584273.db2.gz YONGTFAMHWFXNS-HNNXBMFYSA-N 0 0 377.535 3.246 20 30 GGEDRN Cc1cc(C)c(NC(=O)C(=O)NCC#Cc2ccccc2)cc1Br ZINC000486396497 566584780 /nfs/dbraw/zinc/58/47/80/566584780.db2.gz FQVFKXFTNRUECF-UHFFFAOYSA-N 0 0 385.261 3.172 20 30 GGEDRN C=CCNC(=O)c1ccc(NCCCc2ccc(Br)cc2F)nc1 ZINC000579155479 566585446 /nfs/dbraw/zinc/58/54/46/566585446.db2.gz LEDOESKBMWMJCX-UHFFFAOYSA-N 0 0 392.272 3.366 20 30 GGEDRN C=CCn1cc(CNC(=O)[C@H](CC)Cc2cccc(Br)c2)nn1 ZINC000424906769 566586035 /nfs/dbraw/zinc/58/60/35/566586035.db2.gz GQOZHTKITUHQHG-CQSZACIVSA-N 0 0 377.286 3.112 20 30 GGEDRN C=CCCn1cc(C(=O)N2CCC[C@H]2Cc2ccccc2Br)nn1 ZINC000424897052 566586180 /nfs/dbraw/zinc/58/61/80/566586180.db2.gz VHUMFQLYWPHWBW-HNNXBMFYSA-N 0 0 389.297 3.464 20 30 GGEDRN C=CCCn1cc(C(=O)N2CCC[C@@H]2Cc2ccccc2Br)nn1 ZINC000424897054 566586325 /nfs/dbraw/zinc/58/63/25/566586325.db2.gz VHUMFQLYWPHWBW-OAHLLOKOSA-N 0 0 389.297 3.464 20 30 GGEDRN C=CCC[C@@H](NCc1cn(-c2ccccc2Br)nn1)C(=O)OCC ZINC000449653614 566586867 /nfs/dbraw/zinc/58/68/67/566586867.db2.gz CMEYLTYFRSWWAH-OAHLLOKOSA-N 0 0 393.285 3.017 20 30 GGEDRN Cc1csc2ncc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)c(=O)n12 ZINC000539543546 566587355 /nfs/dbraw/zinc/58/73/55/566587355.db2.gz OXSPRISURWSCBT-CYBMUJFWSA-N 0 0 393.255 3.366 20 30 GGEDRN N#Cc1ccccc1S(=O)(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000560018697 566587340 /nfs/dbraw/zinc/58/73/40/566587340.db2.gz PDZOOVMGOROXSX-INIZCTEOSA-N 0 0 392.278 3.145 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(Cl)cccc1I ZINC000424926265 566587774 /nfs/dbraw/zinc/58/77/74/566587774.db2.gz RPQSBFPWKMPZDF-CABZTGNLSA-N 0 0 391.636 3.266 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000486417760 566587760 /nfs/dbraw/zinc/58/77/60/566587760.db2.gz JWIOOCJKOJEASZ-OMPKRAJASA-N 0 0 390.281 3.464 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1 ZINC000466585937 566587834 /nfs/dbraw/zinc/58/78/34/566587834.db2.gz HFNSKFYZDJNNKT-UHFFFAOYSA-N 0 0 396.299 3.376 20 30 GGEDRN O=C(NCC#Cc1cccc(F)c1)c1cc(F)ccc1I ZINC000513214439 566588420 /nfs/dbraw/zinc/58/84/20/566588420.db2.gz NHBFMCGNRRPVTP-UHFFFAOYSA-N 0 0 397.162 3.351 20 30 GGEDRN Cc1nc2ccc(Br)cn2c1C(=O)NCC#Cc1cccc(F)c1 ZINC000513209868 566588700 /nfs/dbraw/zinc/58/87/00/566588700.db2.gz HFSJVICKXCFRFM-UHFFFAOYSA-N 0 0 386.224 3.326 20 30 GGEDRN N#Cc1ccc(OC[C@@H](O)Cc2ccccc2)c(I)c1 ZINC000513212252 566589124 /nfs/dbraw/zinc/58/91/24/566589124.db2.gz IYCXDVQTKHLDSU-AWEZNQCLSA-N 0 0 379.197 3.145 20 30 GGEDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC#Cc1cccc(F)c1 ZINC000513191062 566589135 /nfs/dbraw/zinc/58/91/35/566589135.db2.gz CSMVZVAERLLIED-UHFFFAOYSA-N 0 0 391.196 3.207 20 30 GGEDRN N#Cc1nc(NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)ccc1Cl ZINC000486431074 566589160 /nfs/dbraw/zinc/58/91/60/566589160.db2.gz IRLJSQTXKZTGIM-UHFFFAOYSA-N 0 0 387.152 3.356 20 30 GGEDRN N#C[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)C1CCCCC1 ZINC000486427466 566589193 /nfs/dbraw/zinc/58/91/93/566589193.db2.gz RLYNPFLRYCAFJZ-ZBFHGGJFSA-N 0 0 390.281 3.464 20 30 GGEDRN O=C(NCC#Cc1cccc(F)c1)c1cc(Br)c2c(c1)OCCO2 ZINC000513214981 566589425 /nfs/dbraw/zinc/58/94/25/566589425.db2.gz RNYPJKIPAWHCLN-UHFFFAOYSA-N 0 0 390.208 3.141 20 30 GGEDRN N#Cc1ccc(I)c(OC[C@H](O)Cc2ccccc2)c1 ZINC000513222880 566590803 /nfs/dbraw/zinc/59/08/03/566590803.db2.gz JPQFNPXFWXZSEU-CQSZACIVSA-N 0 0 379.197 3.145 20 30 GGEDRN C=CCCN(C)C(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 ZINC000466646698 566591005 /nfs/dbraw/zinc/59/10/05/566591005.db2.gz DQJHTSGDURZOKG-UHFFFAOYSA-N 0 0 398.282 3.328 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](c2nnc[nH]2)C1 ZINC000579224509 566591074 /nfs/dbraw/zinc/59/10/74/566591074.db2.gz UKZVSASCGMBFND-NSHDSACASA-N 0 0 392.257 3.153 20 30 GGEDRN O=C(NCC#Cc1cccc(F)c1)c1ccccc1I ZINC000513222036 566591068 /nfs/dbraw/zinc/59/10/68/566591068.db2.gz KSZWDUNIDBJEBC-UHFFFAOYSA-N 0 0 379.172 3.212 20 30 GGEDRN O=C(NCC#Cc1cccc(F)c1)c1cccc(I)c1 ZINC000513217979 566591071 /nfs/dbraw/zinc/59/10/71/566591071.db2.gz GPPLAFXNWLNORB-UHFFFAOYSA-N 0 0 379.172 3.212 20 30 GGEDRN O=S(=O)(c1cc(F)ccc1F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 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C=CC[C@@H](C(=O)Nc1nnc(SCC(=O)OCC)s1)c1ccccc1 ZINC000487582802 566682780 /nfs/dbraw/zinc/68/27/80/566682780.db2.gz JGALQSLMAGLRKI-CYBMUJFWSA-N 0 0 377.491 3.492 20 30 GGEDRN CC1(NC(=O)COc2ccc(C#N)c(Br)c2)Cc2ccccc2C1 ZINC000450544640 566682979 /nfs/dbraw/zinc/68/29/79/566682979.db2.gz QBCNFYNZQBZZGX-UHFFFAOYSA-N 0 0 385.261 3.373 20 30 GGEDRN C=CCSCCNC(=O)Nc1cc(S(=O)(=O)N(C)C(C)C)ccc1C ZINC000540974439 566684104 /nfs/dbraw/zinc/68/41/04/566684104.db2.gz LTQREQSAMCPULY-UHFFFAOYSA-N 0 0 385.555 3.065 20 30 GGEDRN COc1ccc(NC(=O)c2ccc(C#N)s2)c(I)c1 ZINC000487653782 566686031 /nfs/dbraw/zinc/68/60/31/566686031.db2.gz LORDVPQKHJCZEQ-UHFFFAOYSA-N 0 0 384.198 3.485 20 30 GGEDRN N#CC1(CCCS(=O)(=O)Cc2cc3c(c(Cl)c2)OCO3)CCOCC1 ZINC000541003964 566686795 /nfs/dbraw/zinc/68/67/95/566686795.db2.gz FTJCBZYMHWGENF-UHFFFAOYSA-N 0 0 385.869 3.084 20 30 GGEDRN COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1cccc(C#N)c1Br ZINC000450581900 566687094 /nfs/dbraw/zinc/68/70/94/566687094.db2.gz PSWLTXHNOXECBE-DYVFJYSZSA-N 0 0 379.254 3.172 20 30 GGEDRN N#Cc1ccc(NC(=O)CNc2ccc(F)cc2I)cc1 ZINC000426009061 566687422 /nfs/dbraw/zinc/68/74/22/566687422.db2.gz DOYOUDGEJVZOGN-UHFFFAOYSA-N 0 0 395.175 3.353 20 30 GGEDRN Cc1csc([C@H](C)CNC(=O)COc2cccc(Br)c2C#N)n1 ZINC000450584462 566688048 /nfs/dbraw/zinc/68/80/48/566688048.db2.gz OFNCMAFEQVFTME-SNVBAGLBSA-N 0 0 394.294 3.384 20 30 GGEDRN C=CCn1c(-c2ccccc2Br)nnc1N(C)CCCCCO ZINC000580380070 566688414 /nfs/dbraw/zinc/68/84/14/566688414.db2.gz XFVZXSNZWNHNES-UHFFFAOYSA-N 0 0 379.302 3.492 20 30 GGEDRN N#Cc1ccsc1NC(=O)CN[C@@H](CCO)c1ccccc1Br ZINC000541019246 566688499 /nfs/dbraw/zinc/68/84/99/566688499.db2.gz DSTAXCFNHFZULU-AWEZNQCLSA-N 0 0 394.294 3.034 20 30 GGEDRN Cc1nc(N(C)Cc2cn(-c3cccc(Br)c3)nn2)ccc1C#N ZINC000487737716 566688576 /nfs/dbraw/zinc/68/85/76/566688576.db2.gz ZBQWIDHFLJBUNJ-UHFFFAOYSA-N 0 0 383.253 3.241 20 30 GGEDRN CC1(C)Cc2ccc(Br)cc2[C@H]1NC(=O)N1CCO[C@@H](C#N)C1 ZINC000426040066 566688603 /nfs/dbraw/zinc/68/86/03/566688603.db2.gz 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C=C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1 ZINC000488879778 566753814 /nfs/dbraw/zinc/75/38/14/566753814.db2.gz SCSROUPKGKCMMS-OAHLLOKOSA-N 0 0 382.551 3.349 20 30 GGEDRN CC(C)n1ccc(=O)nc1S[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000609227921 566754033 /nfs/dbraw/zinc/75/40/33/566754033.db2.gz YUJOATIWWKIQPQ-LLVKDONJSA-N 0 0 376.869 3.469 20 30 GGEDRN C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000488863768 566754331 /nfs/dbraw/zinc/75/43/31/566754331.db2.gz SWXKBHWMZLEZHT-KGLIPLIRSA-N 0 0 377.282 3.369 20 30 GGEDRN C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@H](C)S(C)(=O)=O)no1 ZINC000581158005 566754403 /nfs/dbraw/zinc/75/44/03/566754403.db2.gz UYTFTFXYFDQXGA-VIFPVBQESA-N 0 0 376.356 3.426 20 30 GGEDRN CC(C)n1ccc(=O)nc1S[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000609227922 566754443 /nfs/dbraw/zinc/75/44/43/566754443.db2.gz YUJOATIWWKIQPQ-NSHDSACASA-N 0 0 376.869 3.469 20 30 GGEDRN C=CCN(C(=O)CSc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000516252175 566755345 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Cc1cc(N(CCC#N)C(=O)CS(=O)(=O)c2cccs2)ccc1Cl ZINC000610705717 566856844 /nfs/dbraw/zinc/85/68/44/566856844.db2.gz OLZYAMYVCSVMBR-UHFFFAOYSA-N 0 0 382.894 3.431 20 30 GGEDRN N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000517940890 566856753 /nfs/dbraw/zinc/85/67/53/566856753.db2.gz VKNONMZHDUZTPN-BBRMVZONSA-N 0 0 393.281 3.117 20 30 GGEDRN N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000517940891 566857023 /nfs/dbraw/zinc/85/70/23/566857023.db2.gz VKNONMZHDUZTPN-CJNGLKHVSA-N 0 0 393.281 3.117 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCC2(c3ccccc3Br)CCC2)o1 ZINC000490475082 566857211 /nfs/dbraw/zinc/85/72/11/566857211.db2.gz GHNXYQMNUYCQPE-UHFFFAOYSA-N 0 0 395.278 3.314 20 30 GGEDRN N#C[C@@H]1N(S(=O)(=O)c2ccc(C(F)(F)F)s2)CCC[C@]12CCCCO2 ZINC000582393779 566857582 /nfs/dbraw/zinc/85/75/82/566857582.db2.gz HVGMAKBNHIXXSU-SMDDNHRTSA-N 0 0 394.440 3.383 20 30 GGEDRN Cc1cccc(CCCNC(=O)COc2cccc(Br)c2C#N)n1 ZINC000451656120 566857747 /nfs/dbraw/zinc/85/77/47/566857747.db2.gz UOAITOKABZDFES-UHFFFAOYSA-N 0 0 388.265 3.152 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCc3c(F)cc(Br)cc3C2)cc1 ZINC000610728020 566857998 /nfs/dbraw/zinc/85/79/98/566857998.db2.gz UPLRFBXPGQJSEG-UHFFFAOYSA-N 0 0 395.253 3.207 20 30 GGEDRN N#Cc1ccc([C@@H](C(N)=O)N2CCc3c(F)cc(Br)cc3C2)cc1 ZINC000610729153 566858066 /nfs/dbraw/zinc/85/80/66/566858066.db2.gz UFURBJJASOTFTJ-KRWDZBQOSA-N 0 0 388.240 3.045 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@H]1OCCc2sccc21 ZINC000490498200 566858341 /nfs/dbraw/zinc/85/83/41/566858341.db2.gz CPFMZKMXWUAJJW-QLJPJBMISA-N 0 0 382.894 3.254 20 30 GGEDRN Cc1sc(CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)nc1C(C)C ZINC000490497198 566858586 /nfs/dbraw/zinc/85/85/86/566858586.db2.gz ACOOUUCVIFJAKM-UHFFFAOYSA-N 0 0 376.869 3.355 20 30 GGEDRN N#C[C@H]1N(S(=O)(=O)c2ccc(C(F)(F)F)s2)CCC[C@@]12CCCCO2 ZINC000582393778 566858582 /nfs/dbraw/zinc/85/85/82/566858582.db2.gz HVGMAKBNHIXXSU-RISCZKNCSA-N 0 0 394.440 3.383 20 30 GGEDRN O=S(=O)(Cc1ccc(F)cc1F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000679469484 566858729 /nfs/dbraw/zinc/85/87/29/566858729.db2.gz PBFQMQOHKPSPPW-UWVGGRQHSA-N 0 0 397.287 3.467 20 30 GGEDRN N#CCCN(Cc1ccccn1)C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000470255531 566860493 /nfs/dbraw/zinc/86/04/93/566860493.db2.gz QBALCACQPJEFKQ-UHFFFAOYSA-N 0 0 384.237 3.276 20 30 GGEDRN N#CCN1CCC[C@@H](CNC(=O)CCCc2cccc(Br)c2)C1 ZINC000610765823 566860732 /nfs/dbraw/zinc/86/07/32/566860732.db2.gz QCLQLABLZUOXBK-INIZCTEOSA-N 0 0 378.314 3.124 20 30 GGEDRN C=CC[C@@H]1N(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CCCC1(C)C ZINC000470297407 566861022 /nfs/dbraw/zinc/86/10/22/566861022.db2.gz MKYZTKIKPUFEEE-INIZCTEOSA-N 0 0 384.567 3.047 20 30 GGEDRN CC[C@](C)(C#N)C(=O)N[C@H](C)c1ccc(Br)cc1OCCCO ZINC000428605778 566861548 /nfs/dbraw/zinc/86/15/48/566861548.db2.gz VXXRXVMBELCHCT-SJKOYZFVSA-N 0 0 383.286 3.327 20 30 GGEDRN N#Cc1ccccc1S(=O)(=O)NC1(Cc2ccccc2Br)CC1 ZINC000490524354 566861771 /nfs/dbraw/zinc/86/17/71/566861771.db2.gz PBKRYBXKARKDPG-UHFFFAOYSA-N 0 0 391.290 3.374 20 30 GGEDRN N#Cc1c(Br)cccc1OCC(=O)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000451680721 566862450 /nfs/dbraw/zinc/86/24/50/566862450.db2.gz MOYIFBYPPHHSFW-OAHLLOKOSA-N 0 0 389.253 3.176 20 30 GGEDRN C=CCOCCCC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000470315354 566863722 /nfs/dbraw/zinc/86/37/22/566863722.db2.gz AAYVFKIIJXUZFV-UHFFFAOYSA-N 0 0 378.270 3.234 20 30 GGEDRN N#Cc1cc(Br)ccc1C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000451690928 566863807 /nfs/dbraw/zinc/86/38/07/566863807.db2.gz AOCWXISGIKIJBH-HXUWFJFHSA-N 0 0 399.288 3.487 20 30 GGEDRN CC1(C)CN(c2ccc(Cl)cc2)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000490551719 566864372 /nfs/dbraw/zinc/86/43/72/566864372.db2.gz RQRNOGZWMIZAFC-UHFFFAOYSA-N 0 0 379.869 3.094 20 30 GGEDRN N#Cc1cccc(C(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)c1Br ZINC000451700233 566864478 /nfs/dbraw/zinc/86/44/78/566864478.db2.gz FYLPRVIZNZMZPQ-AWEZNQCLSA-N 0 0 391.187 3.240 20 30 GGEDRN Cc1nc(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)ccc1C#N ZINC000470324977 566864627 /nfs/dbraw/zinc/86/46/27/566864627.db2.gz AYSPSWRUHBPKKL-UHFFFAOYSA-N 0 0 396.248 3.140 20 30 GGEDRN N#Cc1cccc(C(=O)N2CCC[C@](O)(C(F)(F)F)CC2)c1Br ZINC000451700241 566864695 /nfs/dbraw/zinc/86/46/95/566864695.db2.gz FYLPRVIZNZMZPQ-CQSZACIVSA-N 0 0 391.187 3.240 20 30 GGEDRN N#Cc1cc([N+](=O)[O-])ccc1NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000428665287 566866192 /nfs/dbraw/zinc/86/61/92/566866192.db2.gz DQOZWLYISRJFFX-CYBMUJFWSA-N 0 0 390.237 3.492 20 30 GGEDRN N#Cc1cc2c(nc1NC[C@@H](CO)Cc1ccccc1Br)CCC2 ZINC000428669007 566866276 /nfs/dbraw/zinc/86/62/76/566866276.db2.gz OUEJHUMETVOREM-ZDUSSCGKSA-N 0 0 386.293 3.468 20 30 GGEDRN CCn1c(SCC(=O)N[C@H](C#N)C(C)C)nnc1-c1ccc(Cl)cc1 ZINC000470351402 566866710 /nfs/dbraw/zinc/86/67/10/566866710.db2.gz KQEPFCUYZBBJGG-CQSZACIVSA-N 0 0 377.901 3.375 20 30 GGEDRN N#Cc1ccc([N+](=O)[O-])c(NC[C@H](CO)Cc2ccccc2Br)c1 ZINC000428663804 566866681 /nfs/dbraw/zinc/86/66/81/566866681.db2.gz KPKMPGMVDBNWIE-CYBMUJFWSA-N 0 0 390.237 3.492 20 30 GGEDRN N#Cc1cc2c(nc1NC[C@H](CO)Cc1ccccc1Br)CCC2 ZINC000428669006 566866927 /nfs/dbraw/zinc/86/69/27/566866927.db2.gz OUEJHUMETVOREM-CYBMUJFWSA-N 0 0 386.293 3.468 20 30 GGEDRN N#Cc1ccc(NC[C@H](CO)Cc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000428669544 566866980 /nfs/dbraw/zinc/86/69/80/566866980.db2.gz WGTYWEHSSHMLLI-CQSZACIVSA-N 0 0 390.237 3.492 20 30 GGEDRN N#Cc1c(NC[C@@H](CO)Cc2ccccc2Br)nc2ccccn12 ZINC000428660978 566867060 /nfs/dbraw/zinc/86/70/60/566867060.db2.gz FWEMKAIHSFNUPP-ZDUSSCGKSA-N 0 0 385.265 3.232 20 30 GGEDRN N#Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2Br)cc1 ZINC000543246156 566867415 /nfs/dbraw/zinc/86/74/15/566867415.db2.gz WLCRRFGTMPUSRR-UHFFFAOYSA-N 0 0 385.670 3.453 20 30 GGEDRN N#Cc1cc(NC[C@H](CO)Cc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000428674355 566867752 /nfs/dbraw/zinc/86/77/52/566867752.db2.gz IRRPCBVMUTXEPJ-CYBMUJFWSA-N 0 0 390.237 3.492 20 30 GGEDRN N#Cc1c(NC[C@H](CO)Cc2cccc(Br)c2)nc2ccccn12 ZINC000428671536 566867884 /nfs/dbraw/zinc/86/78/84/566867884.db2.gz ABNHOUUVHUBSBD-CQSZACIVSA-N 0 0 385.265 3.232 20 30 GGEDRN CC[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000582507903 566869112 /nfs/dbraw/zinc/86/91/12/566869112.db2.gz DEBUZJVFXDWECP-QGZVFWFLSA-N 0 0 378.881 3.489 20 30 GGEDRN N#Cc1cccc(NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)c1 ZINC000428683712 566869740 /nfs/dbraw/zinc/86/97/40/566869740.db2.gz GDKPLIRRBHVXSS-OAHLLOKOSA-N 0 0 388.265 3.293 20 30 GGEDRN CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC(CCC#N)CC1 ZINC000518179790 566869720 /nfs/dbraw/zinc/86/97/20/566869720.db2.gz GDUNHIBJOOBZRJ-UHFFFAOYSA-N 0 0 392.297 3.492 20 30 GGEDRN C=CCC1(C(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CCC1 ZINC000470416224 566870305 /nfs/dbraw/zinc/87/03/05/566870305.db2.gz WIIUCHLBYXTIOJ-UHFFFAOYSA-N 0 0 375.412 3.472 20 30 GGEDRN N#Cc1ccc(NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)cc1 ZINC000428700103 566870766 /nfs/dbraw/zinc/87/07/66/566870766.db2.gz MVIHLHXMLYZXQB-HNNXBMFYSA-N 0 0 388.265 3.293 20 30 GGEDRN Cc1cccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1F ZINC000679758826 566871216 /nfs/dbraw/zinc/87/12/16/566871216.db2.gz SEYFFMOBRGBDST-DTORHVGOSA-N 0 0 379.297 3.495 20 30 GGEDRN N#CCCCNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000543313905 566871066 /nfs/dbraw/zinc/87/10/66/566871066.db2.gz UFVWALDADYSMGP-UHFFFAOYSA-N 0 0 390.237 3.257 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000470431245 566871185 /nfs/dbraw/zinc/87/11/85/566871185.db2.gz VUSMTYHHMBOYAP-CRAIPNDOSA-N 0 0 381.314 3.373 20 30 GGEDRN Cc1cccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c1F ZINC000679758829 566871448 /nfs/dbraw/zinc/87/14/48/566871448.db2.gz SEYFFMOBRGBDST-IUCAKERBSA-N 0 0 379.297 3.495 20 30 GGEDRN CCN(CCC#N)C(=O)CCc1nnc(-c2cc(F)ccc2Br)o1 ZINC000490627450 566871948 /nfs/dbraw/zinc/87/19/48/566871948.db2.gz CWOMVWRFEJYHSO-UHFFFAOYSA-N 0 0 395.232 3.333 20 30 GGEDRN COC(=O)[C@]12CN(C(=O)c3ccc(Br)cc3C#N)C[C@H]1CCCC2 ZINC000451739080 566871833 /nfs/dbraw/zinc/87/18/33/566871833.db2.gz SXZZNEWHQBPMOR-FZKQIMNGSA-N 0 0 391.265 3.126 20 30 GGEDRN N#Cc1cc(F)c(N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c(F)c1 ZINC000518246997 566873572 /nfs/dbraw/zinc/87/35/72/566873572.db2.gz XHACZAOLRNRXQI-GFCCVEGCSA-N 0 0 383.445 3.163 20 30 GGEDRN CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000518251571 566873675 /nfs/dbraw/zinc/87/36/75/566873675.db2.gz OVXPPGRAAHDLFR-OAHLLOKOSA-N 0 0 378.270 3.440 20 30 GGEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000610921644 566873982 /nfs/dbraw/zinc/87/39/82/566873982.db2.gz ZMSMZWFFJXXGAC-MRXNPFEDSA-N 0 0 398.732 3.337 20 30 GGEDRN Cc1c(NC(=O)c2ccc(C#N)s2)cccc1S(=O)(=O)NC(C)(C)C ZINC000428753546 566874274 /nfs/dbraw/zinc/87/42/74/566874274.db2.gz WYOACJQOBKMWIK-UHFFFAOYSA-N 0 0 377.491 3.257 20 30 GGEDRN CC(C)c1n[nH]c(C(=O)N[C@H](C#N)c2ccccc2Br)c1[N+](=O)[O-] ZINC000610923799 566874521 /nfs/dbraw/zinc/87/45/21/566874521.db2.gz TVJHBJSNDCQDBC-LLVKDONJSA-N 0 0 392.213 3.198 20 30 GGEDRN CC(C)c1n[nH]c(C(=O)N[C@@H](C#N)c2ccccc2Br)c1[N+](=O)[O-] ZINC000610923800 566874663 /nfs/dbraw/zinc/87/46/63/566874663.db2.gz TVJHBJSNDCQDBC-NSHDSACASA-N 0 0 392.213 3.198 20 30 GGEDRN C[C@H](NS(=O)(=O)c1cc(F)ccc1Br)c1cccc(C#N)c1 ZINC000610930771 566875384 /nfs/dbraw/zinc/87/53/84/566875384.db2.gz MAGMJQTZEHFPKI-JTQLQIEISA-N 0 0 383.242 3.499 20 30 GGEDRN C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)C[C@H]1CCCC(F)(F)C1 ZINC000632331207 566875944 /nfs/dbraw/zinc/87/59/44/566875944.db2.gz HVSYBTHUONKHGF-AWEZNQCLSA-N 0 0 377.453 3.305 20 30 GGEDRN COc1ccc(Br)cc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428775737 566876394 /nfs/dbraw/zinc/87/63/94/566876394.db2.gz ATMDYAGNKPFJOS-MRXNPFEDSA-N 0 0 388.265 3.378 20 30 GGEDRN CCc1nnc(Sc2nnc3ccc(Br)cn32)c(C#N)c1CC ZINC000563325836 566876377 /nfs/dbraw/zinc/87/63/77/566876377.db2.gz MPKAFYAVCMHGSV-UHFFFAOYSA-N 0 0 389.282 3.429 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCCc2cccc(Cl)c2Cl)cc1F ZINC000563326213 566876420 /nfs/dbraw/zinc/87/64/20/566876420.db2.gz WKUQHXLKXXSNEK-UHFFFAOYSA-N 0 0 380.206 3.302 20 30 GGEDRN N#Cc1ccc(CNCc2cn(-c3ccccc3Br)nn2)c(F)c1 ZINC000610946880 566876942 /nfs/dbraw/zinc/87/69/42/566876942.db2.gz JOFUVDIUMANQJS-UHFFFAOYSA-N 0 0 386.228 3.330 20 30 GGEDRN CCOC(=O)c1sc(NC(=O)CSCc2cscn2)c(C#N)c1C ZINC000610959020 566876992 /nfs/dbraw/zinc/87/69/92/566876992.db2.gz QHFKVTHHYLQBLR-UHFFFAOYSA-N 0 0 381.504 3.433 20 30 GGEDRN O=C(NCC#Cc1ccccc1)c1cccc(F)c1I ZINC000610999627 566878870 /nfs/dbraw/zinc/87/88/70/566878870.db2.gz CFNQOEVLFORJGO-UHFFFAOYSA-N 0 0 379.172 3.212 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCc2sc(Br)cc2C1 ZINC000610990068 566879228 /nfs/dbraw/zinc/87/92/28/566879228.db2.gz FUQPHTOAWPGSIU-BZNIZROVSA-N 0 0 384.343 3.312 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCc2sc(Br)cc2C1 ZINC000610990067 566879395 /nfs/dbraw/zinc/87/93/95/566879395.db2.gz FUQPHTOAWPGSIU-BDJLRTHQSA-N 0 0 384.343 3.312 20 30 GGEDRN O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@@H](F)[C@@H](F)C1 ZINC000451781069 566880481 /nfs/dbraw/zinc/88/04/81/566880481.db2.gz OKYUKTNVVNUCOJ-AOOOYVTPSA-N 0 0 383.260 3.405 20 30 GGEDRN N#Cc1cc([N+](=O)[O-])cnc1Oc1cccc(F)c1I ZINC000611001910 566881057 /nfs/dbraw/zinc/88/10/57/566881057.db2.gz ZHEZFHFZEJTTMA-UHFFFAOYSA-N 0 0 385.092 3.397 20 30 GGEDRN CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000611002587 566882039 /nfs/dbraw/zinc/88/20/39/566882039.db2.gz AQRSAMAVGFKRCU-HNNXBMFYSA-N 0 0 386.240 3.033 20 30 GGEDRN C=CCCCCCNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000563416505 566882290 /nfs/dbraw/zinc/88/22/90/566882290.db2.gz KXZMQQWKYLMZMI-MRXNPFEDSA-N 0 0 394.313 3.370 20 30 GGEDRN Cc1cc(Br)ccc1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000611017740 566883575 /nfs/dbraw/zinc/88/35/75/566883575.db2.gz ZNGOTDBWOFEASM-UHFFFAOYSA-N 0 0 383.242 3.247 20 30 GGEDRN COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000611024286 566883846 /nfs/dbraw/zinc/88/38/46/566883846.db2.gz UWQCQANVNULJAQ-LLVKDONJSA-N 0 0 378.837 3.038 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000611016933 566883928 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ZINC000656250319 566887688 /nfs/dbraw/zinc/88/76/88/566887688.db2.gz MSTLOQMHLGAVRN-LBPRGKRZSA-N 0 0 384.295 3.370 20 30 GGEDRN N#Cc1cncc(S(=O)(=O)NCCCOc2ccc(Cl)cc2Cl)c1 ZINC000563480962 566887862 /nfs/dbraw/zinc/88/78/62/566887862.db2.gz BRGDIYQNVQTHPK-UHFFFAOYSA-N 0 0 386.260 3.007 20 30 GGEDRN COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000611080047 566887963 /nfs/dbraw/zinc/88/79/63/566887963.db2.gz BZMFEDBUXGBYNA-NSHDSACASA-N 0 0 378.837 3.038 20 30 GGEDRN CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 ZINC000611094035 566888938 /nfs/dbraw/zinc/88/89/38/566888938.db2.gz WMINZLVPWDWBQB-GFCCVEGCSA-N 0 0 382.291 3.489 20 30 GGEDRN CN(Cc1ccc(Br)cc1Cl)S(=O)(=O)c1ccc(C#N)o1 ZINC000582742318 566888798 /nfs/dbraw/zinc/88/87/98/566888798.db2.gz DWNFNRIHLJFDSZ-UHFFFAOYSA-N 0 0 389.658 3.388 20 30 GGEDRN N#Cc1cc(Cl)c(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)c(Cl)c1 ZINC000611093580 566889122 /nfs/dbraw/zinc/88/91/22/566889122.db2.gz WATPKQCCECADRJ-VIFPVBQESA-N 0 0 380.197 3.479 20 30 GGEDRN C[C@@H]1CN(C(C)(C)CNC(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@H](C)O1 ZINC000611092836 566889431 /nfs/dbraw/zinc/88/94/31/566889431.db2.gz JFWIQCBOFGFBBB-TXEJJXNPSA-N 0 0 384.307 3.483 20 30 GGEDRN CC1(C)CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C(F)(F)F)O1 ZINC000428932565 566889446 /nfs/dbraw/zinc/88/94/46/566889446.db2.gz RNKSPHYNRUAGEK-CYBMUJFWSA-N 0 0 375.778 3.192 20 30 GGEDRN N#Cc1cc(Cl)c(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)c(Cl)c1 ZINC000611095981 566889700 /nfs/dbraw/zinc/88/97/00/566889700.db2.gz DCBZRUZTPVOKPS-CYBMUJFWSA-N 0 0 380.275 3.243 20 30 GGEDRN Cc1sc(NC(=O)CN2C[C@@H](C(F)(F)F)OC(C)(C)C2)c(C#N)c1C ZINC000428932218 566889820 /nfs/dbraw/zinc/88/98/20/566889820.db2.gz QDVLZNIHANDBLU-LBPRGKRZSA-N 0 0 375.416 3.217 20 30 GGEDRN Cc1cc(CN2CCN(C(=O)c3c(Cl)cc(C#N)cc3Cl)CC2)on1 ZINC000611093050 566890088 /nfs/dbraw/zinc/89/00/88/566890088.db2.gz SUDWHJDSQNYUHY-UHFFFAOYSA-N 0 0 379.247 3.120 20 30 GGEDRN CS(=O)(=O)[C@@H]1CCCCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000582764349 566891228 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N#CC1(F)CCN(C(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000491227659 566898734 /nfs/dbraw/zinc/89/87/34/566898734.db2.gz GWFOVVWVNBWPOW-UHFFFAOYSA-N 0 0 378.205 3.252 20 30 GGEDRN N#CC1(CNC(=O)NCc2ccc(Cl)cc2I)CC1 ZINC000518662229 566899366 /nfs/dbraw/zinc/89/93/66/566899366.db2.gz RQAIHMWSDDGAGJ-UHFFFAOYSA-N 0 0 389.624 3.048 20 30 GGEDRN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000429006775 566899570 /nfs/dbraw/zinc/89/95/70/566899570.db2.gz UGCXECKRIJJYLD-BLLLJJGKSA-N 0 0 387.293 3.024 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)CCOCC(F)(F)F ZINC000582853169 566900014 /nfs/dbraw/zinc/90/00/14/566900014.db2.gz LISVGZCCAVTQLB-LLVKDONJSA-N 0 0 382.429 3.401 20 30 GGEDRN N#Cc1ccc(OCC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)cc1 ZINC000582867171 566900939 /nfs/dbraw/zinc/90/09/39/566900939.db2.gz CTMIWZFJUZVVKM-QGZVFWFLSA-N 0 0 386.249 3.458 20 30 GGEDRN C=CCCOCCNC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000543689201 566901742 /nfs/dbraw/zinc/90/17/42/566901742.db2.gz WJIJHYAHSHYBER-UHFFFAOYSA-N 0 0 376.284 3.438 20 30 GGEDRN Cc1c(I)cn(Cc2sccc2Cl)c(=O)c1C#N ZINC000582873995 566901725 /nfs/dbraw/zinc/90/17/25/566901725.db2.gz BYUVMOUHJCHBTH-UHFFFAOYSA-N 0 0 390.633 3.396 20 30 GGEDRN C[C@](CO)(NCC(=O)NC1(C#N)CCCCC1)c1cc(Cl)cc(Cl)c1 ZINC000451892350 566902416 /nfs/dbraw/zinc/90/24/16/566902416.db2.gz PDLIMOKLVURGAI-QGZVFWFLSA-N 0 0 384.307 3.133 20 30 GGEDRN COCCn1c(SCC2(C#N)CC2)nc2sc3c(c2c1=O)CCCC3 ZINC000611232024 566902246 /nfs/dbraw/zinc/90/22/46/566902246.db2.gz IUDDIOZSWTVAQG-UHFFFAOYSA-N 0 0 375.519 3.379 20 30 GGEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000611228159 566902457 /nfs/dbraw/zinc/90/24/57/566902457.db2.gz KJVJPMJYWCIXST-WMLDXEAASA-N 0 0 378.314 3.245 20 30 GGEDRN C=CCn1c(SC[C@H](O)CC(=O)OCC)nnc1-c1ccc(Cl)cc1 ZINC000611232244 566902513 /nfs/dbraw/zinc/90/25/13/566902513.db2.gz MZXRABQFYRCALT-CQSZACIVSA-N 0 0 381.885 3.191 20 30 GGEDRN CC(C)C[C@@H](C#N)NC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C ZINC000611251189 566903399 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NNWYWFBKSWLZCP-UHFFFAOYSA-N 0 0 389.359 3.384 20 30 GGEDRN N#Cc1cc(NC(=O)Cc2cccc(I)c2)ccc1F ZINC000471709299 566972865 /nfs/dbraw/zinc/97/28/65/566972865.db2.gz NMOHYUUAXVEJJD-UHFFFAOYSA-N 0 0 380.160 3.483 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(Cl)c(C)c2)c1 ZINC000544601271 566973379 /nfs/dbraw/zinc/97/33/79/566973379.db2.gz YKOBJQBVBQGOGS-UHFFFAOYSA-N 0 0 378.881 3.043 20 30 GGEDRN CC(C)OCc1nc([C@@H](C)NCc2ccc(Br)cc2C#N)no1 ZINC000564412119 566974641 /nfs/dbraw/zinc/97/46/41/566974641.db2.gz WMPMDUOXJRJPLZ-LLVKDONJSA-N 0 0 379.258 3.480 20 30 GGEDRN C=C[C@@H]1CCCCN1C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000494184306 566974774 /nfs/dbraw/zinc/97/47/74/566974774.db2.gz ZUULKCQOMPUATA-CQSZACIVSA-N 0 0 380.286 3.446 20 30 GGEDRN O=C(NCC#Cc1ccccc1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000494177204 566974821 /nfs/dbraw/zinc/97/48/21/566974821.db2.gz VNTPQBBIUXVLIQ-GOSISDBHSA-N 0 0 398.304 3.379 20 30 GGEDRN C=CCC1(NC(=O)c2ccc3cncc(Br)c3n2)CCOCC1 ZINC000633638515 566975596 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C=C[C@@](C)(O)CC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000564490541 566979617 /nfs/dbraw/zinc/97/96/17/566979617.db2.gz ZXGDFBCACUTOKC-GOSISDBHSA-N 0 0 385.291 3.498 20 30 GGEDRN C=C[C@@](C)(O)CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000564493476 566979885 /nfs/dbraw/zinc/97/98/85/566979885.db2.gz BFQHNDDXIKUSJY-OAHLLOKOSA-N 0 0 378.778 3.083 20 30 GGEDRN C=CCN(CCC#N)Cc1cc(I)c(OC)c(OC)c1 ZINC000430096006 566980844 /nfs/dbraw/zinc/98/08/44/566980844.db2.gz RHEIUYAFBIMCEH-UHFFFAOYSA-N 0 0 386.233 3.210 20 30 GGEDRN C=C[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)OC(C)(C)C)ccc1Br ZINC000612539570 566981560 /nfs/dbraw/zinc/98/15/60/566981560.db2.gz NSPDVVABTJVMNM-SNVBAGLBSA-N 0 0 397.269 3.034 20 30 GGEDRN COC[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000583774851 566982044 /nfs/dbraw/zinc/98/20/44/566982044.db2.gz LSBWQQNHRDVTIL-GOSISDBHSA-N 0 0 378.881 3.361 20 30 GGEDRN N#Cc1ccc(NCC(=O)N2CCc3c(Br)ccc(F)c3C2)cc1 ZINC000612574097 566982277 /nfs/dbraw/zinc/98/22/77/566982277.db2.gz OIDJZNSLNVCDJK-UHFFFAOYSA-N 0 0 388.240 3.457 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](C)C(C)(F)F ZINC000452454248 566983140 /nfs/dbraw/zinc/98/31/40/566983140.db2.gz DOOZLPUEGXOFEU-SECBINFHSA-N 0 0 391.212 3.258 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccn2)cc1Br ZINC000583789967 566983555 /nfs/dbraw/zinc/98/35/55/566983555.db2.gz NHFKSRXRHJJADQ-INIZCTEOSA-N 0 0 392.278 3.242 20 30 GGEDRN N#CCCC1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000583812287 566985598 /nfs/dbraw/zinc/98/55/98/566985598.db2.gz AWGMQULNNOTOFO-MRXNPFEDSA-N 0 0 390.281 3.097 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)CCOCC(F)(F)F ZINC000564548938 566986006 /nfs/dbraw/zinc/98/60/06/566986006.db2.gz DUEJXEIWKFHOJL-NSHDSACASA-N 0 0 382.429 3.259 20 30 GGEDRN CN(C1(C#N)CCCC1)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000471930938 566986298 /nfs/dbraw/zinc/98/62/98/566986298.db2.gz YYWKDUBUMNQVTH-UHFFFAOYSA-N 0 0 379.226 3.184 20 30 GGEDRN CN(Cc1ccc(Br)c(F)c1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000494308485 566987144 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CCCN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1Br ZINC000520171385 566988327 /nfs/dbraw/zinc/98/83/27/566988327.db2.gz HUHYSMVZHLKOAJ-SFHVURJKSA-N 0 0 378.314 3.470 20 30 GGEDRN N#Cc1c(F)cccc1C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000430139383 566989133 /nfs/dbraw/zinc/98/91/33/566989133.db2.gz KFSFZMLGQZHMLS-GFCCVEGCSA-N 0 0 391.240 3.041 20 30 GGEDRN C=C(C)[C@@H](CC(=O)NC[C@H](CO)Cc1ccc(Br)cc1)OCC ZINC000430141830 566989701 /nfs/dbraw/zinc/98/97/01/566989701.db2.gz AAGFGONBFQJYST-NVXWUHKLSA-N 0 0 384.314 3.088 20 30 GGEDRN N#CC1(CNC(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)CC1 ZINC000520213043 566989732 /nfs/dbraw/zinc/98/97/32/566989732.db2.gz MJFZQBXMEAJGHZ-UHFFFAOYSA-N 0 0 391.269 3.110 20 30 GGEDRN N#CCc1cccc(C(=O)NC[C@H](CO)Cc2cccc(Br)c2)c1 ZINC000430141214 566989828 /nfs/dbraw/zinc/98/98/28/566989828.db2.gz WXLPXXNKTKBUCX-MRXNPFEDSA-N 0 0 387.277 3.096 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)NC1(CCO)CCOCC1 ZINC000656985010 566991240 /nfs/dbraw/zinc/99/12/40/566991240.db2.gz ALSGKXOXTKEAQY-UHFFFAOYSA-N 0 0 399.285 3.067 20 30 GGEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000583917254 566994180 /nfs/dbraw/zinc/99/41/80/566994180.db2.gz LASAQYFNWBAODZ-LTIDMASMSA-N 0 0 385.291 3.327 20 30 GGEDRN COc1c(Br)cccc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430160136 566994258 /nfs/dbraw/zinc/99/42/58/566994258.db2.gz AMRRQKUMSQEFLI-OAHLLOKOSA-N 0 0 388.265 3.378 20 30 GGEDRN N#Cc1cccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1Br ZINC000452603541 566994937 /nfs/dbraw/zinc/99/49/37/566994937.db2.gz XUIZIGUHRMKHMW-BMFZPTHFSA-N 0 0 377.282 3.476 20 30 GGEDRN N#Cc1c(F)cccc1C(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000430164950 566995215 /nfs/dbraw/zinc/99/52/15/566995215.db2.gz SDHVVCFKEZPLCB-CYBMUJFWSA-N 0 0 391.240 3.041 20 30 GGEDRN Cc1cc(Br)c2c(c1)CN(CC(=O)NCc1ccc(C#N)cc1)CC2 ZINC000494390707 566996553 /nfs/dbraw/zinc/99/65/53/566996553.db2.gz DCAZKBQLKJBPCG-UHFFFAOYSA-N 0 0 398.304 3.304 20 30 GGEDRN N#CCc1cccc(C(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)c1 ZINC000430174094 566996754 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ZINC000612829103 566999033 /nfs/dbraw/zinc/99/90/33/566999033.db2.gz HXKTUNHMBBYFNB-SNVBAGLBSA-N 0 0 392.196 3.359 20 30 GGEDRN C=CCn1cccc1C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000430182614 566999426 /nfs/dbraw/zinc/99/94/26/566999426.db2.gz YXVSGHRXXZGMBM-HNNXBMFYSA-N 0 0 377.282 3.018 20 30 GGEDRN C[C@H](CNS(=O)(=O)CCC(C)(C)C#N)Oc1cccc(Br)c1 ZINC000564688614 566999543 /nfs/dbraw/zinc/99/95/43/566999543.db2.gz WJMBTAXBKPRTPJ-GFCCVEGCSA-N 0 0 389.315 3.076 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)CN1CCc2c(Br)cc(C)cc2C1 ZINC000494418602 567000236 /nfs/dbraw/zinc/00/02/36/567000236.db2.gz OQGGAYBBDNOYAF-AWEZNQCLSA-N 0 0 378.314 3.124 20 30 GGEDRN N#Cc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c(Cl)c1 ZINC000494420474 567000293 /nfs/dbraw/zinc/00/02/93/567000293.db2.gz DSLFIKMULGISPQ-UHFFFAOYSA-N 0 0 376.800 3.337 20 30 GGEDRN N#CC1(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)CCOCC1 ZINC000564713616 567000825 /nfs/dbraw/zinc/00/08/25/567000825.db2.gz VNNLKTVBTRUQFJ-UHFFFAOYSA-N 0 0 378.841 3.029 20 30 GGEDRN C=CC1CCN(C(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)CC1 ZINC000472102739 567001254 /nfs/dbraw/zinc/00/12/54/567001254.db2.gz VVHWBCYLPSKCIA-UHFFFAOYSA-N 0 0 376.400 3.115 20 30 GGEDRN COC(=O)c1cc(NC(=O)N2CCC(C#N)CC2)c(C)cc1Br ZINC000494441185 567001545 /nfs/dbraw/zinc/00/15/45/567001545.db2.gz VPLSRQYRWZFNEZ-UHFFFAOYSA-N 0 0 380.242 3.312 20 30 GGEDRN N#Cc1cncc(S(=O)(=O)N2CCSc3ccc(C(F)(F)F)cc32)c1 ZINC000564719786 567002149 /nfs/dbraw/zinc/00/21/49/567002149.db2.gz DBDJCHHQJCHUEO-UHFFFAOYSA-N 0 0 385.392 3.273 20 30 GGEDRN Cn1ncc(Br)c1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000452655574 567002813 /nfs/dbraw/zinc/00/28/13/567002813.db2.gz KDSOETFCTWHNBU-UHFFFAOYSA-N 0 0 377.242 3.484 20 30 GGEDRN Cc1cc(Br)c2c(c1)CN(CC(=O)NCc1cccc(C#N)c1)CC2 ZINC000494482000 567003776 /nfs/dbraw/zinc/00/37/76/567003776.db2.gz JIELEXRRQKQMIL-UHFFFAOYSA-N 0 0 398.304 3.304 20 30 GGEDRN Cc1nn(C)c(N2CCN([C@H](C)c3cccc(Br)c3)CC2)c1C#N ZINC000472154521 567004571 /nfs/dbraw/zinc/00/45/71/567004571.db2.gz 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N#Cc1ccc(S(=O)(=O)NCCCOc2ccccc2)cc1Br ZINC000432874549 567200002 /nfs/dbraw/zinc/20/00/02/567200002.db2.gz BUZPNJPITAFZBZ-UHFFFAOYSA-N 0 0 395.278 3.068 20 30 GGEDRN COc1cccc([C@H](C)NS(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432886702 567200966 /nfs/dbraw/zinc/20/09/66/567200966.db2.gz XONOTXHTOVQUQY-NSHDSACASA-N 0 0 395.278 3.369 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCc3cc(F)ccc32)cc1Br ZINC000432881043 567200978 /nfs/dbraw/zinc/20/09/78/567200978.db2.gz ZUKVAOMELJXNDM-MRXNPFEDSA-N 0 0 395.253 3.426 20 30 GGEDRN N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]1c1ccccn1 ZINC000566903775 567201016 /nfs/dbraw/zinc/20/10/16/567201016.db2.gz RBOKBNMISSMQPY-HNNXBMFYSA-N 0 0 392.278 3.242 20 30 GGEDRN N#C[C@@H](c1ccc(Br)cc1)N1CCN(c2ncnc3c2CCC3)CC1 ZINC000547329715 567202270 /nfs/dbraw/zinc/20/22/70/567202270.db2.gz LDSTYOBKUYSKMY-SFHVURJKSA-N 0 0 398.308 3.115 20 30 GGEDRN Cc1c2cc(C#N)ccc2sc1C(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000589984348 567202400 /nfs/dbraw/zinc/20/24/00/567202400.db2.gz 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3.072 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@@H](C#N)C2CCCCC2)cc1Br ZINC000432960343 567210194 /nfs/dbraw/zinc/21/01/94/567210194.db2.gz NEGCPOSMOMTQTG-HNNXBMFYSA-N 0 0 382.283 3.072 20 30 GGEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)c(Br)c1 ZINC000590166338 567211062 /nfs/dbraw/zinc/21/10/62/567211062.db2.gz XWNDBLXCXHSIGN-JTQLQIEISA-N 0 0 383.242 3.499 20 30 GGEDRN C=CCN(C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000454910109 567211469 /nfs/dbraw/zinc/21/14/69/567211469.db2.gz IQLMVOHXHXJLJD-IUODEOHRSA-N 0 0 375.412 3.168 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)c(Br)c1 ZINC000590166339 567211668 /nfs/dbraw/zinc/21/16/68/567211668.db2.gz XWNDBLXCXHSIGN-SNVBAGLBSA-N 0 0 383.242 3.499 20 30 GGEDRN CS(=O)(=O)c1ccc(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)s1 ZINC000615889394 567212866 /nfs/dbraw/zinc/21/28/66/567212866.db2.gz CXPYOLNGZHDLPM-UHFFFAOYSA-N 0 0 389.285 3.260 20 30 GGEDRN C[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)c(Br)c1 ZINC000590194949 567213159 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Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)c1C#N ZINC000524766921 567213877 /nfs/dbraw/zinc/21/38/77/567213877.db2.gz RVVPMLZZTSQUFF-WMLDXEAASA-N 0 0 398.260 3.240 20 30 GGEDRN C=CCC[C@@H](CO)NC(=O)Nc1cc(I)ccc1Cl ZINC000454937143 567214168 /nfs/dbraw/zinc/21/41/68/567214168.db2.gz DHUUJNJDKVPGLF-JTQLQIEISA-N 0 0 394.640 3.393 20 30 GGEDRN C=CCc1ccccc1OC[C@@H](O)CN[C@@H](C)c1ncc(Br)cn1 ZINC000432999833 567214332 /nfs/dbraw/zinc/21/43/32/567214332.db2.gz DBRPRYODTVNPNM-BBRMVZONSA-N 0 0 392.297 3.058 20 30 GGEDRN Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)CC2 ZINC000590223401 567214468 /nfs/dbraw/zinc/21/44/68/567214468.db2.gz NSTVLWCLNFFKAT-KRWDZBQOSA-N 0 0 398.260 3.371 20 30 GGEDRN C=CC(C)(C)CNC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000454931893 567214548 /nfs/dbraw/zinc/21/45/48/567214548.db2.gz VRUFOIFYVODAFH-UHFFFAOYSA-N 0 0 378.416 3.120 20 30 GGEDRN N#Cc1c(NC(=O)Cc2ccc(Br)c(Cl)c2)nc2n1CCS2 ZINC000615913058 567214951 /nfs/dbraw/zinc/21/49/51/567214951.db2.gz 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C[C@@H](CC(=O)Nc1ncccc1OCCCC#N)n1cc(Br)cn1 ZINC000592591719 567347612 /nfs/dbraw/zinc/34/76/12/567347612.db2.gz QDMIGBBWFXWTNG-LBPRGKRZSA-N 0 0 392.257 3.313 20 30 GGEDRN Cc1ccc(CSCCNS(=O)(=O)Cc2cc(C#N)ccc2F)cc1 ZINC000500821671 567347756 /nfs/dbraw/zinc/34/77/56/567347756.db2.gz LSYLQIAZHMNRBW-UHFFFAOYSA-N 0 0 378.494 3.359 20 30 GGEDRN C=CCN(Cc1cccs1)S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000500827043 567347880 /nfs/dbraw/zinc/34/78/80/567347880.db2.gz AVJQZJHJLMIMAN-UHFFFAOYSA-N 0 0 382.898 3.130 20 30 GGEDRN C=CCN(Cc1ccccc1)S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000500834660 567347952 /nfs/dbraw/zinc/34/79/52/567347952.db2.gz RUIUJWPJOUCUSM-UHFFFAOYSA-N 0 0 376.869 3.068 20 30 GGEDRN CC(C)OC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000548765608 567348592 /nfs/dbraw/zinc/34/85/92/567348592.db2.gz HUBAIXHMJLFEJR-UHFFFAOYSA-N 0 0 376.400 3.155 20 30 GGEDRN N#C[C@@]1(NC(=O)c2cc(Br)ccc2OC(F)F)CCSC1 ZINC000592607150 567348899 /nfs/dbraw/zinc/34/88/99/567348899.db2.gz 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N#Cc1ccc(NCC(=O)N2CC3(CCC3)c3cc(Br)ccc32)nc1 ZINC000618025868 567352950 /nfs/dbraw/zinc/35/29/50/567352950.db2.gz BAQBRTJVGJBYQU-UHFFFAOYSA-N 0 0 397.276 3.018 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)NC[C@H]2SCCc3ccccc32)c1 ZINC000500910590 567353408 /nfs/dbraw/zinc/35/34/08/567353408.db2.gz BMCXULYQMGAWLL-GOSISDBHSA-N 0 0 376.478 3.147 20 30 GGEDRN C=CCN(CC1CCCCC1)S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000500949742 567354241 /nfs/dbraw/zinc/35/42/41/567354241.db2.gz ABWLWLAIPNYRRR-UHFFFAOYSA-N 0 0 382.917 3.448 20 30 GGEDRN Cc1c(NC(=O)c2ccc(Br)cc2C#N)cnn1[C@H]1CCOC1 ZINC000456246854 567354364 /nfs/dbraw/zinc/35/43/64/567354364.db2.gz SPYANPGVNLUCSN-ZDUSSCGKSA-N 0 0 375.226 3.039 20 30 GGEDRN C=CCCO[C@H](C)C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000500933440 567354831 /nfs/dbraw/zinc/35/48/31/567354831.db2.gz KWIDXUZOBYNMAF-CQSZACIVSA-N 0 0 399.304 3.214 20 30 GGEDRN CC1(C)CCCN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)[C@@H]1C#N ZINC000618068354 567356015 /nfs/dbraw/zinc/35/60/15/567356015.db2.gz 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ZINC000501017178 567359077 /nfs/dbraw/zinc/35/90/77/567359077.db2.gz WUGBLWMAMCJIQD-GXTWGEPZSA-N 0 0 378.391 3.485 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCS[C@@H]1C ZINC000592738073 567359445 /nfs/dbraw/zinc/35/94/45/567359445.db2.gz YIVYWSBOKSRTIR-MFKMUULPSA-N 0 0 399.310 3.108 20 30 GGEDRN CCN(CCC#N)C(=O)CN1CCOc2c(Cl)cc(Br)cc21 ZINC000568816989 567359467 /nfs/dbraw/zinc/35/94/67/567359467.db2.gz XICUDKJVTWNMEH-UHFFFAOYSA-N 0 0 386.677 3.063 20 30 GGEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(Br)c(OCC)c(OC)c1 ZINC000456282969 567359601 /nfs/dbraw/zinc/35/96/01/567359601.db2.gz XQALRGUEMKGKJD-KGLIPLIRSA-N 0 0 384.270 3.320 20 30 GGEDRN C[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CC2(CCCC2)O1 ZINC000592737710 567359621 /nfs/dbraw/zinc/35/96/21/567359621.db2.gz XRVPUNYDXROPEL-CYBMUJFWSA-N 0 0 393.281 3.260 20 30 GGEDRN C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)c2ccccc21 ZINC000501039797 567360017 /nfs/dbraw/zinc/36/00/17/567360017.db2.gz NSVGAJVUCMMYCE-NSHDSACASA-N 0 0 384.233 3.410 20 30 GGEDRN Cc1cc(S(=O)(=O)N2Cc3cccc(Br)c3C2)ccc1C#N ZINC000618178741 567360202 /nfs/dbraw/zinc/36/02/02/567360202.db2.gz RRZYQKBKJUKFOX-UHFFFAOYSA-N 0 0 377.263 3.334 20 30 GGEDRN N#Cc1cnc(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)c(Cl)c1 ZINC000548893950 567360217 /nfs/dbraw/zinc/36/02/17/567360217.db2.gz VEDHXSQHWGFKEY-SFHVURJKSA-N 0 0 376.243 3.392 20 30 GGEDRN N#Cc1cccc(C(=O)N2CCC([C@H](O)C(F)(F)F)CC2)c1Br ZINC000568836576 567360532 /nfs/dbraw/zinc/36/05/32/567360532.db2.gz MBKMHTWIFYKUBD-ZDUSSCGKSA-N 0 0 391.187 3.096 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)s1 ZINC000435423017 567360668 /nfs/dbraw/zinc/36/06/68/567360668.db2.gz OJXZRLYNNXXTPO-CQSZACIVSA-N 0 0 386.857 3.174 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2CCc3ccc(Br)cc32)c1C#N ZINC000501064377 567360782 /nfs/dbraw/zinc/36/07/82/567360782.db2.gz WCBOPWJXPOFQHK-UHFFFAOYSA-N 0 0 384.233 3.157 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCCCO[C@H]2CCCc3ccccc32)s1 ZINC000435421520 567361032 /nfs/dbraw/zinc/36/10/32/567361032.db2.gz 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/nfs/dbraw/zinc/36/25/26/567362526.db2.gz MNHVSIVRJASUHN-HOTGVXAUSA-N 0 0 395.253 3.294 20 30 GGEDRN C=CCn1c(CC)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000548951751 567363138 /nfs/dbraw/zinc/36/31/38/567363138.db2.gz JNLGUBZHLQCQBH-OAHLLOKOSA-N 0 0 377.286 3.367 20 30 GGEDRN COc1ccc(C[C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)s3)C2)cc1 ZINC000435429683 567363216 /nfs/dbraw/zinc/36/32/16/567363216.db2.gz YMXUIHLCPWMJJS-HNNXBMFYSA-N 0 0 376.503 3.272 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCc3cc(Br)cc(F)c32)s1 ZINC000435429993 567363238 /nfs/dbraw/zinc/36/32/38/567363238.db2.gz XGEPMZQNFOTGOR-UHFFFAOYSA-N 0 0 387.255 3.273 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCc2cccc(OCC(F)(F)F)c2)s1 ZINC000435431378 567363985 /nfs/dbraw/zinc/36/39/85/567363985.db2.gz CVKHMCGHZSJPHQ-UHFFFAOYSA-N 0 0 376.381 3.039 20 30 GGEDRN CN(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(Cl)cc1 ZINC000548978573 567364319 /nfs/dbraw/zinc/36/43/19/567364319.db2.gz DNACGUBRSPONCL-INIZCTEOSA-N 0 0 398.315 3.446 20 30 GGEDRN 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PVQSCZJQSQJVLU-GFCCVEGCSA-N 0 0 380.315 3.124 20 30 GGEDRN CC1(C)CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@](C)(C(F)(F)F)O1 ZINC000549900406 567416351 /nfs/dbraw/zinc/41/63/51/567416351.db2.gz CMQMNMTZJZROIS-AWEZNQCLSA-N 0 0 396.818 3.332 20 30 GGEDRN CN(CC(C)(C)C#N)C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000569603141 567416381 /nfs/dbraw/zinc/41/63/81/567416381.db2.gz WWITYGMUWGAGTD-UHFFFAOYSA-N 0 0 377.750 3.185 20 30 GGEDRN N#CCC1CCN(c2ncnc3cc(I)sc32)CC1 ZINC000593469647 567416335 /nfs/dbraw/zinc/41/63/35/567416335.db2.gz YXHCKJKCQYERIK-UHFFFAOYSA-N 0 0 384.246 3.426 20 30 GGEDRN C=CCC[C@@H](CO)NC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000456762882 567416253 /nfs/dbraw/zinc/41/62/53/567416253.db2.gz CUPCVIITBQNHAI-LBPRGKRZSA-N 0 0 383.311 3.435 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000456758032 567416378 /nfs/dbraw/zinc/41/63/78/567416378.db2.gz PCLFLLMHVGNMEC-HZPDHXFCSA-N 0 0 385.291 3.041 20 30 GGEDRN COc1cc(OCC(=O)c2ccc(I)cc2)ccc1C#N ZINC000436238124 567416589 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567421620 /nfs/dbraw/zinc/42/16/20/567421620.db2.gz ZWHCJIBVWQPGQK-UHFFFAOYSA-N 0 0 377.535 3.356 20 30 GGEDRN C=C(C)[C@@H](CC(=O)N1CCN(c2cccc(Br)c2)CC1)OCC ZINC000549959042 567422412 /nfs/dbraw/zinc/42/24/12/567422412.db2.gz MAAJZFLZNCINLP-QGZVFWFLSA-N 0 0 381.314 3.469 20 30 GGEDRN COc1cc2c(cc1Cl)CN(S(=O)(=O)c1cccc(C)c1C#N)CC2 ZINC000549984376 567422501 /nfs/dbraw/zinc/42/25/01/567422501.db2.gz JCEJJWMJRLWVAX-UHFFFAOYSA-N 0 0 376.865 3.276 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(C(=O)OC)c1Br ZINC000436405128 567422568 /nfs/dbraw/zinc/42/25/68/567422568.db2.gz AKXYDLWOKXXERT-NHYWBVRUSA-N 0 0 397.269 3.338 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cccc(C(=O)OC)c1Br ZINC000436405125 567422724 /nfs/dbraw/zinc/42/27/24/567422724.db2.gz AKXYDLWOKXXERT-IAQYHMDHSA-N 0 0 397.269 3.338 20 30 GGEDRN Cc1cc([C@@H](C#N)C(=O)c2cc(I)ccc2C)nc(C)n1 ZINC000477851488 567423450 /nfs/dbraw/zinc/42/34/50/567423450.db2.gz KOSLLIJXIHFHLV-CQSZACIVSA-N 0 0 391.212 3.497 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000436431541 567423887 /nfs/dbraw/zinc/42/38/87/567423887.db2.gz LPTAMSPQLYNTJL-DOTOQJQBSA-N 0 0 398.260 3.240 20 30 GGEDRN N#Cc1cccc(CCNC(=O)c2csc(I)c2)c1 ZINC000477873119 567424747 /nfs/dbraw/zinc/42/47/47/567424747.db2.gz CJNQNPQVIFBDLG-UHFFFAOYSA-N 0 0 382.226 3.197 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NC1CCCC1 ZINC000569702960 567425228 /nfs/dbraw/zinc/42/52/28/567425228.db2.gz VHGQJAJKZHBSGJ-UHFFFAOYSA-N 0 0 383.261 3.162 20 30 GGEDRN C=CCC(C)(C)C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000550054192 567426318 /nfs/dbraw/zinc/42/63/18/567426318.db2.gz FAEHTJHKBGLCJU-UHFFFAOYSA-N 0 0 379.298 3.336 20 30 GGEDRN CCN(c1ccc(O)cc1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000436475621 567427051 /nfs/dbraw/zinc/42/70/51/567427051.db2.gz HCIYGHWNAZVWJG-UHFFFAOYSA-N 0 0 381.251 3.242 20 30 GGEDRN CC(C)(CC#N)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000569720355 567427122 /nfs/dbraw/zinc/42/71/22/567427122.db2.gz BHAZPFYITITEFY-UHFFFAOYSA-N 0 0 377.750 3.233 20 30 GGEDRN CC(C)(C#N)CCS(=O)(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000550111582 567427419 /nfs/dbraw/zinc/42/74/19/567427419.db2.gz XFLNJCAJCNTQJL-UHFFFAOYSA-N 0 0 397.298 3.316 20 30 GGEDRN CN(CC(=O)Nc1ccccc1CC#N)C(=O)c1ccc(Br)s1 ZINC000550099611 567428230 /nfs/dbraw/zinc/42/82/30/567428230.db2.gz CLGBMWKDBIBSAT-UHFFFAOYSA-N 0 0 392.278 3.287 20 30 GGEDRN C=C(C)CN(C)C(=O)C(=O)Nc1cc(Cl)cc(Br)c1OCC ZINC000477962985 567428311 /nfs/dbraw/zinc/42/83/11/567428311.db2.gz IBPHLUHXMZJPHZ-UHFFFAOYSA-N 0 0 389.677 3.474 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CC[C@@H](c3ccco3)C2)cc1Br ZINC000618993296 567428891 /nfs/dbraw/zinc/42/88/91/567428891.db2.gz GKJAMTOWTVLBBE-GFCCVEGCSA-N 0 0 381.251 3.092 20 30 GGEDRN N#Cc1ccccc1OC[C@H](O)CN1CCc2ccc(Br)cc2C1 ZINC000528488045 567429075 /nfs/dbraw/zinc/42/90/75/567429075.db2.gz FUANXOJDBIQGHW-GOSISDBHSA-N 0 0 387.277 3.119 20 30 GGEDRN CC[C@H]1COC(C)(C)CN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000593629690 567429802 /nfs/dbraw/zinc/42/98/02/567429802.db2.gz 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N#CC1(NC(=O)CN2CCCC[C@@H]2Cc2ccccc2Br)CCC1 ZINC000550157689 567430565 /nfs/dbraw/zinc/43/05/65/567430565.db2.gz DIQQMLXDHKGUEE-MRXNPFEDSA-N 0 0 390.325 3.409 20 30 GGEDRN C=CCC(CC=C)C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000456977630 567430797 /nfs/dbraw/zinc/43/07/97/567430797.db2.gz FIBVJIRPRGJVNL-UHFFFAOYSA-N 0 0 380.286 3.388 20 30 GGEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC2(CC2(F)F)CC1 ZINC000593648365 567431459 /nfs/dbraw/zinc/43/14/59/567431459.db2.gz JZQYVTBPPJRXFO-UHFFFAOYSA-N 0 0 380.338 3.387 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC3(CC3(F)F)CC2)cc1Br ZINC000593648424 567431481 /nfs/dbraw/zinc/43/14/81/567431481.db2.gz KYOWMNDWLUKIJI-UHFFFAOYSA-N 0 0 391.237 3.131 20 30 GGEDRN CC[C@H]1COC(C)(C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000593630802 567431788 /nfs/dbraw/zinc/43/17/88/567431788.db2.gz XFFGMENKYHHSAV-ZDUSSCGKSA-N 0 0 376.400 3.155 20 30 GGEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2ncc(Br)s2)CC1 ZINC000619049756 567431856 /nfs/dbraw/zinc/43/18/56/567431856.db2.gz RRCDLQRPLBFIDV-AWEZNQCLSA-N 0 0 395.301 3.427 20 30 GGEDRN CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](CC)CO1 ZINC000593630202 567431839 /nfs/dbraw/zinc/43/18/39/567431839.db2.gz SPGAGEDUDJFTKG-STQMWFEESA-N 0 0 376.400 3.155 20 30 GGEDRN N#Cc1ccsc1NC(=O)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000550199276 567432081 /nfs/dbraw/zinc/43/20/81/567432081.db2.gz JVDLIWVJTIFIGP-UHFFFAOYSA-N 0 0 390.877 3.180 20 30 GGEDRN C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)[C@@H]1C ZINC000550218120 567433715 /nfs/dbraw/zinc/43/37/15/567433715.db2.gz XVNODVDONFQSRE-UEKVPHQBSA-N 0 0 378.270 3.200 20 30 GGEDRN CC[C@H](C#N)C(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000593678806 567434301 /nfs/dbraw/zinc/43/43/01/567434301.db2.gz RAGLDPOJVSUPAW-PELKAZGASA-N 0 0 379.176 3.167 20 30 GGEDRN CC(=O)N[C@H](CC(=O)NCC#Cc1ccccc1)c1ccc(Br)cc1 ZINC000502426118 567434354 /nfs/dbraw/zinc/43/43/54/567434354.db2.gz IRJFKCOZRRMPMW-LJQANCHMSA-N 0 0 399.288 3.184 20 30 GGEDRN Cc1cc(NC(=O)C(=O)NCC2(C#N)CCCC2)cc(C)c1Br ZINC000593673644 567434426 /nfs/dbraw/zinc/43/44/26/567434426.db2.gz GLRMGHBHMLSKKP-UHFFFAOYSA-N 0 0 378.270 3.205 20 30 GGEDRN C[C@H]1CC(F)(F)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000528547535 567435911 /nfs/dbraw/zinc/43/59/11/567435911.db2.gz GWBGKCFFSXHQHS-VIFPVBQESA-N 0 0 379.226 3.129 20 30 GGEDRN Cc1ccc(Cl)cc1NC(=O)Cn1cc(Br)cc(C#N)c1=O ZINC000569859337 567437808 /nfs/dbraw/zinc/43/78/08/567437808.db2.gz DKCOTSDLGLRZNF-UHFFFAOYSA-N 0 0 380.629 3.083 20 30 GGEDRN COc1cc(Cl)c(S(=O)(=O)N[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000619175744 567437955 /nfs/dbraw/zinc/43/79/55/567437955.db2.gz DNXIUVGWYXTLKH-NSHDSACASA-N 0 0 380.853 3.268 20 30 GGEDRN N#C[C@@H]1N(CC(=O)Nc2ccc(Br)cc2)CCC[C@@]12CCCCO2 ZINC000619195694 567438086 /nfs/dbraw/zinc/43/80/86/567438086.db2.gz YIEPKOQQBBYBNZ-WMZOPIPTSA-N 0 0 392.297 3.315 20 30 GGEDRN CCCC[C@](C)(NC(=O)Cn1cnc(C#N)n1)c1cccc(Br)c1 ZINC000478119067 567438440 /nfs/dbraw/zinc/43/84/40/567438440.db2.gz TWKPOMDPXRANEK-KRWDZBQOSA-N 0 0 390.285 3.134 20 30 GGEDRN N#Cc1ccc(C2=CCN(CC(=O)Nc3ccc(Br)cn3)CC2)cc1 ZINC000502529299 567441415 /nfs/dbraw/zinc/44/14/15/567441415.db2.gz NWRVFPQBOIQCKG-UHFFFAOYSA-N 0 0 397.276 3.444 20 30 GGEDRN COc1ccc([C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)C2CC2)cn1 ZINC000528590197 567441732 /nfs/dbraw/zinc/44/17/32/567441732.db2.gz IWDAWZDSORRRFU-QGZVFWFLSA-N 0 0 377.853 3.045 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)CCC(C)C ZINC000662496956 567441781 /nfs/dbraw/zinc/44/17/81/567441781.db2.gz SBOXCEWSTXXZNQ-UHFFFAOYSA-N 0 0 383.286 3.457 20 30 GGEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC000569890965 567442228 /nfs/dbraw/zinc/44/22/28/567442228.db2.gz UPVQPZYDGLUABB-HUUCEWRRSA-N 0 0 392.301 3.370 20 30 GGEDRN C[C@H](CNc1nc2c(cc1C#N)COCC2)Oc1ccccc1Br ZINC000569899332 567442482 /nfs/dbraw/zinc/44/24/82/567442482.db2.gz YNAXUSORWDPSFD-GFCCVEGCSA-N 0 0 388.265 3.090 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)nc1 ZINC000550353257 567443029 /nfs/dbraw/zinc/44/30/29/567443029.db2.gz 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N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)s1 ZINC000571481365 567566159 /nfs/dbraw/zinc/56/61/59/567566159.db2.gz PPRCLODCSDYSSK-STQMWFEESA-N 0 0 383.292 3.217 20 30 GGEDRN CN1C(=O)C[C@@H](C(=O)N2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000479898297 567566771 /nfs/dbraw/zinc/56/67/71/567566771.db2.gz GRVGNKGCIOAFTJ-CXAGYDPISA-N 0 0 380.275 3.275 20 30 GGEDRN CO[C@@H](c1ccccc1Cl)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000479910624 567567828 /nfs/dbraw/zinc/56/78/28/567567828.db2.gz CZVXVQRKWMZJBU-PIGZYNQJSA-N 0 0 382.844 3.405 20 30 GGEDRN C=CC[C@@H](CC)NC(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000458722161 567568331 /nfs/dbraw/zinc/56/83/31/567568331.db2.gz CXYGQHNCTLEOGD-LSDHHAIUSA-N 0 0 399.329 3.263 20 30 GGEDRN CN(CC(C)(C)C#N)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000458724640 567568342 /nfs/dbraw/zinc/56/83/42/567568342.db2.gz BFJUZQAUUHVEQK-UHFFFAOYSA-N 0 0 392.257 3.190 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000458725209 567568371 /nfs/dbraw/zinc/56/83/71/567568371.db2.gz GVLOSIXXBFXNOI-MGPQQGTHSA-N 0 0 385.277 3.461 20 30 GGEDRN C=CC[C@H](CC)NC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000458724169 567568725 /nfs/dbraw/zinc/56/87/25/567568725.db2.gz FFOSQIPVGNJTRO-BBRMVZONSA-N 0 0 399.329 3.263 20 30 GGEDRN C=CC[C@@H](CC)NC(=O)N(C)[C@H](CO)c1cc(OC)ccc1Br ZINC000458720639 567568811 /nfs/dbraw/zinc/56/88/11/567568811.db2.gz BWQSZIXZYPQLGO-MLGOLLRUSA-N 0 0 385.302 3.487 20 30 GGEDRN N#C[C@H](NC(=O)c1cnc2sccn2c1=O)c1cccc(Cl)c1Cl ZINC000505337622 567569611 /nfs/dbraw/zinc/56/96/11/567569611.db2.gz KMKXMFFPICMHRH-NSHDSACASA-N 0 0 379.228 3.057 20 30 GGEDRN COCCN(CC#N)Cc1cccc(OCC(F)(F)F)c1Br ZINC000595523476 567569620 /nfs/dbraw/zinc/56/96/20/567569620.db2.gz JWYBXNZSOGXQIX-UHFFFAOYSA-N 0 0 381.192 3.362 20 30 GGEDRN C[C@@](O)(CNCc1c(F)c(F)c(Br)c(F)c1F)C(F)(F)F ZINC000644677134 567569869 /nfs/dbraw/zinc/56/98/69/567569869.db2.gz OEIOYMPWZRBPLE-SNVBAGLBSA-N 0 0 384.089 3.408 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)COc1ccc(Br)cc1C(C)=O ZINC000552231573 567570252 /nfs/dbraw/zinc/57/02/52/567570252.db2.gz JABDHTCIMJMFOT-FZKQIMNGSA-N 0 0 396.281 3.128 20 30 GGEDRN CNc1ccc(C#N)cc1NC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000552245635 567570385 /nfs/dbraw/zinc/57/03/85/567570385.db2.gz JATLQWDHPZNBJB-UHFFFAOYSA-N 0 0 377.231 3.275 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCc2nc(-c3cccs3)c[nH]2)cc1Cl ZINC000439193807 567570911 /nfs/dbraw/zinc/57/09/11/567570911.db2.gz XPSSOFGOHWXGQA-UHFFFAOYSA-N 0 0 378.866 3.142 20 30 GGEDRN CC(C)(CC#N)CNC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000458746782 567571127 /nfs/dbraw/zinc/57/11/27/567571127.db2.gz QKOWDEKXSUCNCZ-UHFFFAOYSA-N 0 0 392.257 3.238 20 30 GGEDRN C=CCCOCCNC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000664533428 567572933 /nfs/dbraw/zinc/57/29/33/567572933.db2.gz ARBKDMNOBOOOCH-INIZCTEOSA-N 0 0 383.286 3.125 20 30 GGEDRN C=CC1CCN(S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000439232598 567573459 /nfs/dbraw/zinc/57/34/59/567573459.db2.gz BTGVUVYHJVQALF-UHFFFAOYSA-N 0 0 389.271 3.252 20 30 GGEDRN Cc1cc(I)ccc1NC(=O)CN1CCC[C@@H](CC#N)C1 ZINC000595617564 567573948 /nfs/dbraw/zinc/57/39/48/567573948.db2.gz WXVTVIAPOGGBJB-ZDUSSCGKSA-N 0 0 397.260 3.164 20 30 GGEDRN N#CC[C@@H]1CCCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000595599745 567574417 /nfs/dbraw/zinc/57/44/17/567574417.db2.gz BMJFMYSKVJWWLI-IINYFYTJSA-N 0 0 382.233 3.357 20 30 GGEDRN N#Cc1cc(Br)ccc1CNc1ccccc1CN1CCNC1=O ZINC000571599246 567574627 /nfs/dbraw/zinc/57/46/27/567574627.db2.gz DPAUMLLOPZDRIW-UHFFFAOYSA-N 0 0 385.265 3.458 20 30 GGEDRN CNC(=O)[C@@H]1CCCN(c2c(C#N)cnc3c(Br)c(C)ccc32)C1 ZINC000480008248 567574945 /nfs/dbraw/zinc/57/49/45/567574945.db2.gz FVRATLZLUHVQIP-GFCCVEGCSA-N 0 0 387.281 3.140 20 30 GGEDRN CC(C)(CC#N)CNC(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000595646586 567575316 /nfs/dbraw/zinc/57/53/16/567575316.db2.gz CNWWDQDAEBCNJA-UHFFFAOYSA-N 0 0 379.302 3.221 20 30 GGEDRN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC[C@@H](CC#N)C1 ZINC000595620343 567575936 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N#Cc1cc(Br)ccc1N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000571668063 567579911 /nfs/dbraw/zinc/57/99/11/567579911.db2.gz QPSORAJAPZFJIH-OAHLLOKOSA-N 0 0 377.286 3.413 20 30 GGEDRN N#C[C@@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1c(Cl)cccc1Cl ZINC000505511559 567579930 /nfs/dbraw/zinc/57/99/30/567579930.db2.gz FTCTUFWJBJXZEH-GZMMTYOYSA-N 0 0 394.180 3.085 20 30 GGEDRN CC1(C)C(=O)N[C@H]1C1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000571653014 567579972 /nfs/dbraw/zinc/57/99/72/567579972.db2.gz FDIZFDXKRCJBFN-INIZCTEOSA-N 0 0 376.298 3.057 20 30 GGEDRN COc1cc([C@@H](C#N)NC(=O)c2sccc2SC)cc(OC)c1OC ZINC000505525599 567580049 /nfs/dbraw/zinc/58/00/49/567580049.db2.gz GFARDZBEUMTLOG-LLVKDONJSA-N 0 0 378.475 3.490 20 30 GGEDRN C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)CS2 ZINC000505513900 567580269 /nfs/dbraw/zinc/58/02/69/567580269.db2.gz OXYCJZQHWLDEED-HSMVNMDESA-N 0 0 384.288 3.128 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cncc(Cl)c2Cl)c1 ZINC000480095363 567580606 /nfs/dbraw/zinc/58/06/06/567580606.db2.gz KCWVJKLYDQBFCM-UHFFFAOYSA-N 0 0 386.260 3.105 20 30 GGEDRN COc1cc(Br)cc(NC(=O)C(=O)Nc2ccc(C#N)cc2F)c1 ZINC000439311966 567581435 /nfs/dbraw/zinc/58/14/35/567581435.db2.gz GRMTZPFAILFRAJ-UHFFFAOYSA-N 0 0 392.184 3.046 20 30 GGEDRN COC(=O)c1ccccc1Cn1cc(C#N)c(=O)c2cc(Br)ccc21 ZINC000505532028 567581820 /nfs/dbraw/zinc/58/18/20/567581820.db2.gz ICRCKZVKCLUDOJ-UHFFFAOYSA-N 0 0 397.228 3.471 20 30 GGEDRN N#C[C@@H](NC(=O)Cn1cnc2sccc2c1=O)c1c(Cl)cccc1Cl ZINC000505533515 567581874 /nfs/dbraw/zinc/58/18/74/567581874.db2.gz QVDCIEQDGBPIOH-GFCCVEGCSA-N 0 0 393.255 3.146 20 30 GGEDRN CO[C@@]1(CNc2c(C#N)cnc3c(Br)c(C)ccc32)CCOC1 ZINC000480116935 567581961 /nfs/dbraw/zinc/58/19/61/567581961.db2.gz IZOMKLBVKCOVQV-QGZVFWFLSA-N 0 0 376.254 3.395 20 30 GGEDRN Cc1cc(C)c(NC(=O)C(=O)N(CCC#N)CC2CC2)c(Br)c1 ZINC000439318719 567582434 /nfs/dbraw/zinc/58/24/34/567582434.db2.gz HGYPDFKBOGRESB-UHFFFAOYSA-N 0 0 378.270 3.157 20 30 GGEDRN C[C@@]1(c2ccc(Br)cc2)C[C@@]12NC(=O)N(CC1(CC#N)CC1)C2=O ZINC000530201346 567582894 /nfs/dbraw/zinc/58/28/94/567582894.db2.gz NFRNYIIPQRYHNK-WMZOPIPTSA-N 0 0 388.265 3.095 20 30 GGEDRN O=C(COCC(F)(F)F)NCc1c(F)c(F)c(Br)c(F)c1F ZINC000644848617 567583242 /nfs/dbraw/zinc/58/32/42/567583242.db2.gz HMZNHIOMFOQKPM-UHFFFAOYSA-N 0 0 398.072 3.201 20 30 GGEDRN C=CC[C@H](CO)CNC(=O)NCCc1ccc(Br)cc1Cl ZINC000458883629 567583664 /nfs/dbraw/zinc/58/36/64/567583664.db2.gz LZMYRWKFTZGRME-NSHDSACASA-N 0 0 375.694 3.129 20 30 GGEDRN N#C[C@H](NC(=O)Cn1cc(Br)cn1)c1c(Cl)cccc1Cl ZINC000505546626 567583777 /nfs/dbraw/zinc/58/37/77/567583777.db2.gz HYFDFDQSYXTIBM-NSHDSACASA-N 0 0 388.052 3.333 20 30 GGEDRN Cc1nc(C(=O)Nc2cccc(Cl)c2S(=O)(=O)C(C)C)ccc1C#N ZINC000571709969 567583914 /nfs/dbraw/zinc/58/39/14/567583914.db2.gz WTPXZLCKHLLZFU-UHFFFAOYSA-N 0 0 377.853 3.350 20 30 GGEDRN CSCC[C@@](C)(C#N)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000571716751 567584023 /nfs/dbraw/zinc/58/40/23/567584023.db2.gz ITAUHWULHQTNRL-AWEZNQCLSA-N 0 0 386.271 3.431 20 30 GGEDRN C[C@]1(c2ccc(Br)cc2)C[C@@]12NC(=O)N([C@@H]1CC[C@H](C#N)C1)C2=O ZINC000530202177 567584305 /nfs/dbraw/zinc/58/43/05/567584305.db2.gz RQGAGIYGSORWPG-AOYRSGHYSA-N 0 0 388.265 3.093 20 30 GGEDRN C[C@]1(c2ccc(Br)cc2)C[C@]12NC(=O)N([C@@H]1CC[C@H](C#N)C1)C2=O ZINC000530202179 567584368 /nfs/dbraw/zinc/58/43/68/567584368.db2.gz RQGAGIYGSORWPG-RNBONZGASA-N 0 0 388.265 3.093 20 30 GGEDRN N#Cc1cccc(CNC(=O)CN2CC[C@H]2c2ccc(Br)cc2)c1 ZINC000595846137 567584992 /nfs/dbraw/zinc/58/49/92/567584992.db2.gz VCDCWVTYQKTIPI-SFHVURJKSA-N 0 0 384.277 3.384 20 30 GGEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1C1CCC1 ZINC000644858362 567585337 /nfs/dbraw/zinc/58/53/37/567585337.db2.gz KQKCYWSXDIWTDX-UHFFFAOYSA-N 0 0 392.933 3.078 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(Br)cc2OCC)C1=O ZINC000439435232 567585974 /nfs/dbraw/zinc/58/59/74/567585974.db2.gz UYJVVZSDYBZUAO-AWEZNQCLSA-N 0 0 396.285 3.098 20 30 GGEDRN N#C[C@H]1CN(C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)CCO1 ZINC000458900528 567586097 /nfs/dbraw/zinc/58/60/97/567586097.db2.gz XRTDODLITFXMKZ-LBPRGKRZSA-N 0 0 398.688 3.068 20 30 GGEDRN N#Cc1ccc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c(Cl)c1 ZINC000439445658 567587283 /nfs/dbraw/zinc/58/72/83/567587283.db2.gz DCDUNNJRPNCIRQ-QGZVFWFLSA-N 0 0 381.929 3.038 20 30 GGEDRN C[C@H](NCc1ccc(C#N)cc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000439448428 567587327 /nfs/dbraw/zinc/58/73/27/567587327.db2.gz GWXZGOBROVYJCM-ZDUSSCGKSA-N 0 0 377.897 3.313 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(Br)cc2CC)C1=O ZINC000439442598 567587668 /nfs/dbraw/zinc/58/76/68/567587668.db2.gz LYRXBCILIPICHQ-OAHLLOKOSA-N 0 0 380.286 3.262 20 30 GGEDRN N#C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2cncc(F)c2)CC1 ZINC000571772088 567587835 /nfs/dbraw/zinc/58/78/35/567587835.db2.gz FOELWTOAGYXMQX-SFHVURJKSA-N 0 0 389.272 3.366 20 30 GGEDRN CN(CCS(=O)(=O)c1ccc(C#N)cn1)Cc1cccc(Cl)c1Cl ZINC000571784390 567587853 /nfs/dbraw/zinc/58/78/53/567587853.db2.gz 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396.216 3.292 20 30 GGEDRN CC#CC[C@@H](CO)NC(=O)Nc1cc(OCC)c(OCC)cc1Br ZINC000646241960 567700874 /nfs/dbraw/zinc/70/08/74/567700874.db2.gz UELITXAEQRTWOC-LBPRGKRZSA-N 0 0 399.285 3.142 20 30 GGEDRN C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCOC[C@H](C)C1 ZINC000460777437 567702482 /nfs/dbraw/zinc/70/24/82/567702482.db2.gz LUNKXMPUDROZKY-CYBMUJFWSA-N 0 0 394.317 3.095 20 30 GGEDRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cc(CC#N)ccn1 ZINC000532181141 567702749 /nfs/dbraw/zinc/70/27/49/567702749.db2.gz PRHJPHAEMUZNNV-SNVBAGLBSA-N 0 0 378.201 3.455 20 30 GGEDRN COc1ccc(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)c(C)c1 ZINC000532196898 567702819 /nfs/dbraw/zinc/70/28/19/567702819.db2.gz JAOXAERSGAWLED-UHFFFAOYSA-N 0 0 395.278 3.116 20 30 GGEDRN C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=C)C ZINC000460804147 567703108 /nfs/dbraw/zinc/70/31/08/567703108.db2.gz MSFVWIGQPNIVCT-UHFFFAOYSA-N 0 0 380.290 3.251 20 30 GGEDRN Cc1c(NC(=O)C(=O)NCC(C2CC2)C2CC2)ccc(Br)c1C#N ZINC000573319578 567705126 /nfs/dbraw/zinc/70/51/26/567705126.db2.gz 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CC#CC[C@H](CO)NC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000646367720 567711718 /nfs/dbraw/zinc/71/17/18/567711718.db2.gz DKVRRDBDWYVTDV-GFCCVEGCSA-N 0 0 381.263 3.134 20 30 GGEDRN COc1cc(Cn2c(C)c(Br)cc(C#N)c2=O)ccc1OC(F)F ZINC000460945343 567711863 /nfs/dbraw/zinc/71/18/63/567711863.db2.gz AEGOFLSYXANQBO-UHFFFAOYSA-N 0 0 399.191 3.449 20 30 GGEDRN CC#CC[C@H](CO)NC(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000646372553 567712279 /nfs/dbraw/zinc/71/22/79/567712279.db2.gz ZVRJLIVDDJDVEU-SNVBAGLBSA-N 0 0 379.176 3.364 20 30 GGEDRN COC(=O)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C1CCCCC1 ZINC000442847397 567712324 /nfs/dbraw/zinc/71/23/24/567712324.db2.gz LGUPYOMNUALJQV-OAHLLOKOSA-N 0 0 384.885 3.002 20 30 GGEDRN C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCSCC1 ZINC000460948980 567712358 /nfs/dbraw/zinc/71/23/58/567712358.db2.gz KJOSOYNKFGSIGL-UHFFFAOYSA-N 0 0 382.331 3.175 20 30 GGEDRN C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CO)CC1 ZINC000460965251 567713201 /nfs/dbraw/zinc/71/32/01/567713201.db2.gz YKWAKZYSIXJDPH-UHFFFAOYSA-N 0 0 391.313 3.492 20 30 GGEDRN N#Cc1ccc(CNC(=O)CNc2cc(F)cc(F)c2Br)cc1 ZINC000442867418 567714257 /nfs/dbraw/zinc/71/42/57/567714257.db2.gz LIVGBSLESFTKCO-UHFFFAOYSA-N 0 0 380.192 3.327 20 30 GGEDRN COC(=O)c1ccc(N2CCC[C@@H]2c2ccc(Br)cn2)c(C#N)n1 ZINC000573458620 567715182 /nfs/dbraw/zinc/71/51/82/567715182.db2.gz BJISFDNXJUBOMN-OAHLLOKOSA-N 0 0 387.237 3.239 20 30 GGEDRN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cc(CC#N)ccn1 ZINC000532435697 567715825 /nfs/dbraw/zinc/71/58/25/567715825.db2.gz XPQQSXRVVFFJSG-SNVBAGLBSA-N 0 0 377.231 3.211 20 30 GGEDRN N#Cc1cc(Br)ccc1CN1CCCN(CC(F)(F)F)CC1 ZINC000554214569 567716593 /nfs/dbraw/zinc/71/65/93/567716593.db2.gz TWUYSYFYJNCPCD-UHFFFAOYSA-N 0 0 376.220 3.391 20 30 GGEDRN CC#CC[C@@H](CO)NC(=O)Nc1cc(Br)ccc1OC(F)(F)F ZINC000646427501 567717546 /nfs/dbraw/zinc/71/75/46/567717546.db2.gz DLBDKJOVWIGNOK-JTQLQIEISA-N 0 0 395.175 3.244 20 30 GGEDRN C[C@](NCc1ccc(Br)cc1C#N)(C(N)=O)c1cccc(Cl)c1 ZINC000554244631 567717865 /nfs/dbraw/zinc/71/78/65/567717865.db2.gz 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ZINC000461114434 567721433 /nfs/dbraw/zinc/72/14/33/567721433.db2.gz RSTBAPSHMVXVQW-OAHLLOKOSA-N 0 0 385.327 3.336 20 30 GGEDRN C=CCN(C(=O)Nc1ccc2nc(CC)sc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000646516739 567721583 /nfs/dbraw/zinc/72/15/83/567721583.db2.gz IDINFSFQCSIFAJ-ZDUSSCGKSA-N 0 0 379.507 3.066 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCCCOc2ccc(Cl)cc2Cl)cn1 ZINC000507982178 567721634 /nfs/dbraw/zinc/72/16/34/567721634.db2.gz BPAOCMBLEAINQI-UHFFFAOYSA-N 0 0 386.260 3.007 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCC[C@@H](F)C2)cc1Br ZINC000573560649 567722263 /nfs/dbraw/zinc/72/22/63/567722263.db2.gz LPFRLIVOFDPQRL-ZJUUUORDSA-N 0 0 379.226 3.019 20 30 GGEDRN C[C@H](CC#N)NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000508024398 567722316 /nfs/dbraw/zinc/72/23/16/567722316.db2.gz DDPUOOTZBMDCMZ-SECBINFHSA-N 0 0 386.296 3.153 20 30 GGEDRN N#C[C@]1(NS(=O)(=O)c2ccc(C(F)(F)F)s2)CCc2ccccc2C1 ZINC000461119097 567722610 /nfs/dbraw/zinc/72/26/10/567722610.db2.gz SUAHVNHYCNUWKX-HNNXBMFYSA-N 0 0 386.420 3.496 20 30 GGEDRN C[C@H](COc1ccc(F)cc1F)NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000443012115 567722906 /nfs/dbraw/zinc/72/29/06/567722906.db2.gz GIQMRQQDVICGBX-SNVBAGLBSA-N 0 0 386.807 3.236 20 30 GGEDRN C[C@@H](COc1ccc(F)cc1F)NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000443012114 567723186 /nfs/dbraw/zinc/72/31/86/567723186.db2.gz GIQMRQQDVICGBX-JTQLQIEISA-N 0 0 386.807 3.236 20 30 GGEDRN Cc1cccc(S(=O)(=O)NCCc2ccc(Br)s2)c1C#N ZINC000443004274 567723414 /nfs/dbraw/zinc/72/34/14/567723414.db2.gz CUNXFFVOANLKBW-UHFFFAOYSA-N 0 0 385.308 3.212 20 30 GGEDRN C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCO1 ZINC000461169347 567723680 /nfs/dbraw/zinc/72/36/80/567723680.db2.gz YSIZTBIEWSOGHO-CQSZACIVSA-N 0 0 392.301 3.393 20 30 GGEDRN CSC[C@](C)(C#N)NS(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC000508051891 567723802 /nfs/dbraw/zinc/72/38/02/567723802.db2.gz BTISXWLBPHXEQZ-SFHVURJKSA-N 0 0 376.503 3.189 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)c(Cl)c1 ZINC000508036994 567724036 /nfs/dbraw/zinc/72/40/36/567724036.db2.gz IOJZNPORZQKELL-UHFFFAOYSA-N 0 0 375.881 3.031 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC000646540276 567724064 /nfs/dbraw/zinc/72/40/64/567724064.db2.gz PMNORKPBLCCZTP-SNVBAGLBSA-N 0 0 397.298 3.416 20 30 GGEDRN N#Cc1ccccc1N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000508031676 567724123 /nfs/dbraw/zinc/72/41/23/567724123.db2.gz VAZXGRYLBSIKLW-UHFFFAOYSA-N 0 0 396.299 3.376 20 30 GGEDRN CSc1cccc(F)c1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000573588654 567724283 /nfs/dbraw/zinc/72/42/83/567724283.db2.gz LFRZCVAJSHJGTL-UHFFFAOYSA-N 0 0 377.828 3.328 20 30 GGEDRN N#CC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000597910985 567724369 /nfs/dbraw/zinc/72/43/69/567724369.db2.gz DTZZZBARYDYGJF-QWHCGFSZSA-N 0 0 380.275 3.499 20 30 GGEDRN N#CC[C@@H]1CCCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000597912109 567724532 /nfs/dbraw/zinc/72/45/32/567724532.db2.gz GDVZRVIBWPLEAD-PSLXWICFSA-N 0 0 397.338 3.489 20 30 GGEDRN N#CC[C@H]1CCCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000597912111 567724622 /nfs/dbraw/zinc/72/46/22/567724622.db2.gz GDVZRVIBWPLEAD-QKFKETGDSA-N 0 0 397.338 3.489 20 30 GGEDRN N#CC[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000597912311 567724926 /nfs/dbraw/zinc/72/49/26/567724926.db2.gz UURYNDSYDCEZBN-JSGCOSHPSA-N 0 0 380.275 3.499 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000443020499 567724913 /nfs/dbraw/zinc/72/49/13/567724913.db2.gz MPUNNKQDOHDZAZ-UHFFFAOYSA-N 0 0 399.255 3.115 20 30 GGEDRN N#CC[C@@H]1CCCN(C(=O)c2cc(I)c(F)cc2F)C1 ZINC000597908665 567725043 /nfs/dbraw/zinc/72/50/43/567725043.db2.gz VTZUJWQJAHNBMF-VIFPVBQESA-N 0 0 390.171 3.335 20 30 GGEDRN N#CC[C@@H]1CCCN(C(=O)CCOc2cccc(I)c2)C1 ZINC000597904198 567725104 /nfs/dbraw/zinc/72/51/04/567725104.db2.gz PPSXQCLSILDBHF-ZDUSSCGKSA-N 0 0 398.244 3.212 20 30 GGEDRN C=CC[C@@H]1N(C(=O)c2c(I)cnn2C)CCCC1(C)C ZINC000508073473 567725249 /nfs/dbraw/zinc/72/52/49/567725249.db2.gz KXKPCMJXTWYMMJ-LBPRGKRZSA-N 0 0 387.265 3.232 20 30 GGEDRN COCC[C@@](C)(C#N)NS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000508073755 567725252 /nfs/dbraw/zinc/72/52/52/567725252.db2.gz MLBCPSZUKBXFBY-INIZCTEOSA-N 0 0 397.294 3.199 20 30 GGEDRN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000554393163 567725386 /nfs/dbraw/zinc/72/53/86/567725386.db2.gz DKYONUGGMWCMKT-UKRRQHHQSA-N 0 0 393.285 3.136 20 30 GGEDRN O=C(CCOCC(F)(F)C(F)(F)F)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000554387789 567726037 /nfs/dbraw/zinc/72/60/37/567726037.db2.gz HTGWOQHYORRCPY-SECBINFHSA-N 0 0 387.267 3.161 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)NCc1cccc(Br)c1 ZINC000443031455 567726077 /nfs/dbraw/zinc/72/60/77/567726077.db2.gz WSFSDQRURYQJDT-UHFFFAOYSA-N 0 0 385.670 3.453 20 30 GGEDRN Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2C#N)N(C)C)cc1 ZINC000443039349 567726150 /nfs/dbraw/zinc/72/61/50/567726150.db2.gz SDOJAEFXJGWYFP-QGZVFWFLSA-N 0 0 377.897 3.101 20 30 GGEDRN Cc1cccc(S(=O)(=O)NCc2ccc(Br)c(F)c2)c1C#N ZINC000443034498 567726195 /nfs/dbraw/zinc/72/61/95/567726195.db2.gz RKSXEPREYPIBGC-UHFFFAOYSA-N 0 0 383.242 3.247 20 30 GGEDRN COc1cc(CN(C)CC(C)(C)C#N)cc(I)c1OC ZINC000573633010 567726345 /nfs/dbraw/zinc/72/63/45/567726345.db2.gz WHCKCCSXYGJARU-UHFFFAOYSA-N 0 0 388.249 3.290 20 30 GGEDRN CN(C(=O)Cc1ccccc1I)c1ccccc1C#N ZINC000508079830 567726374 /nfs/dbraw/zinc/72/63/74/567726374.db2.gz KOXRIILCEQOAMG-UHFFFAOYSA-N 0 0 376.197 3.368 20 30 GGEDRN COc1ccc(C(=O)N(C)c2ccccc2C#N)c(I)c1 ZINC000508082226 567726454 /nfs/dbraw/zinc/72/64/54/567726454.db2.gz RDHFRGQJAQMLIC-UHFFFAOYSA-N 0 0 392.196 3.448 20 30 GGEDRN C=CCNc1ncc(C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)s1 ZINC000508083863 567726564 /nfs/dbraw/zinc/72/65/64/567726564.db2.gz BQEGWLSWIRPOOW-LBPRGKRZSA-N 0 0 377.338 3.475 20 30 GGEDRN N#Cc1sccc1N1CCN(C(=O)COc2ccc(Cl)c(F)c2)CC1 ZINC000597939468 567727007 /nfs/dbraw/zinc/72/70/07/567727007.db2.gz RAKAMTSCMMTAGE-UHFFFAOYSA-N 0 0 379.844 3.140 20 30 GGEDRN N#Cc1sccc1N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000597935413 567727084 /nfs/dbraw/zinc/72/70/84/567727084.db2.gz UYQCQGZKEMDLLI-UHFFFAOYSA-N 0 0 376.279 3.345 20 30 GGEDRN CCO[C@@H](C)c1ncc(C(=O)N2CCN(c3ccsc3C#N)CC2)s1 ZINC000597936158 567727122 /nfs/dbraw/zinc/72/71/22/567727122.db2.gz AJGMBQRBGLLVKU-LBPRGKRZSA-N 0 0 376.507 3.136 20 30 GGEDRN N#Cc1sccc1N1CCN(C(=O)CCOc2ccccc2Cl)CC1 ZINC000597933987 567727177 /nfs/dbraw/zinc/72/71/77/567727177.db2.gz UCZXSRJOBGUGNV-UHFFFAOYSA-N 0 0 375.881 3.391 20 30 GGEDRN Cc1cc(NCCOCC(F)(F)F)c(C(=O)NCC(F)(F)F)cc1F ZINC000573651766 567727401 /nfs/dbraw/zinc/72/74/01/567727401.db2.gz TWBUXJKLEFOJRD-UHFFFAOYSA-N 0 0 376.272 3.417 20 30 GGEDRN CCO[C@H](C)c1ncc(C(=O)N2CCN(c3ccsc3C#N)CC2)s1 ZINC000597936157 567727551 /nfs/dbraw/zinc/72/75/51/567727551.db2.gz AJGMBQRBGLLVKU-GFCCVEGCSA-N 0 0 376.507 3.136 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000508084823 567727814 /nfs/dbraw/zinc/72/78/14/567727814.db2.gz OIUMGVMJHUDPBZ-UHFFFAOYSA-N 0 0 386.807 3.291 20 30 GGEDRN CSCC[C@@](C)(C#N)NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000508084907 567728183 /nfs/dbraw/zinc/72/81/83/567728183.db2.gz OSUZICYLDKJDQG-LBPRGKRZSA-N 0 0 397.747 3.416 20 30 GGEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Cc1ccccc1Br ZINC000461306528 567728272 /nfs/dbraw/zinc/72/82/72/567728272.db2.gz KLFQPBVDYYFAOQ-UHFFFAOYSA-N 0 0 396.248 3.391 20 30 GGEDRN N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCc2c1cccc2Br ZINC000443076823 567728536 /nfs/dbraw/zinc/72/85/36/567728536.db2.gz DCHRKUZGFMLJNZ-OAHLLOKOSA-N 0 0 377.263 3.287 20 30 GGEDRN C=CCN(C(=O)c1cc(I)ccc1F)[C@@H](C)COC ZINC000597951843 567728676 /nfs/dbraw/zinc/72/86/76/567728676.db2.gz LLIQDYOGCJKIAF-JTQLQIEISA-N 0 0 377.197 3.093 20 30 GGEDRN C=CCN(C(=O)c1ccc(F)cc1I)[C@H](C)COC ZINC000597951121 567728785 /nfs/dbraw/zinc/72/87/85/567728785.db2.gz HLBRYTFKPJJTAA-SNVBAGLBSA-N 0 0 377.197 3.093 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)NCCCc1nc2c(s1)CCCC2 ZINC000443073797 567728864 /nfs/dbraw/zinc/72/88/64/567728864.db2.gz WVDBDWLSWQFHKG-UHFFFAOYSA-N 0 0 395.937 3.458 20 30 GGEDRN CSCC[C@](C)(C#N)NS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000508099530 567728922 /nfs/dbraw/zinc/72/89/22/567728922.db2.gz UWSMWBOGZBACBT-CYBMUJFWSA-N 0 0 377.329 3.071 20 30 GGEDRN COC(=O)[C@@H](NCCOc1ccccc1C#N)c1ccc(Br)cc1 ZINC000532686837 567728816 /nfs/dbraw/zinc/72/88/16/567728816.db2.gz YSNGFBASQFILCZ-KRWDZBQOSA-N 0 0 389.249 3.203 20 30 GGEDRN COc1ccc(S(=O)(=O)N[C@](C)(C#N)CCSC)c(Cl)c1Cl ZINC000508100489 567728972 /nfs/dbraw/zinc/72/89/72/567728972.db2.gz XLFDCFNKZVMILI-ZDUSSCGKSA-N 0 0 383.322 3.316 20 30 GGEDRN C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc(C#N)c(Br)c3)ccc2O1 ZINC000508099774 567729120 /nfs/dbraw/zinc/72/91/20/567729120.db2.gz ZDNFCBLVZDYJOG-JTQLQIEISA-N 0 0 393.262 3.445 20 30 GGEDRN C=CCN(CC=C)C(=O)CN(C)[C@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000532696218 567729193 /nfs/dbraw/zinc/72/91/93/567729193.db2.gz ONJCUBSXNKEOAX-KRWDZBQOSA-N 0 0 385.291 3.340 20 30 GGEDRN C=CCN(C(=O)c1ccc(F)cc1I)[C@@H](C)COC ZINC000597951120 567729159 /nfs/dbraw/zinc/72/91/59/567729159.db2.gz HLBRYTFKPJJTAA-JTQLQIEISA-N 0 0 377.197 3.093 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000443072404 567729266 /nfs/dbraw/zinc/72/92/66/567729266.db2.gz RGDVMIZUQWDQMZ-SJLPKXTDSA-N 0 0 376.865 3.410 20 30 GGEDRN CSCC[C@@](C)(C#N)NS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000508101344 567729380 /nfs/dbraw/zinc/72/93/80/567729380.db2.gz ISNHNMJHDVVCMX-ZDUSSCGKSA-N 0 0 377.329 3.071 20 30 GGEDRN Cc1nc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c(Br)s1 ZINC000573687644 567729773 /nfs/dbraw/zinc/72/97/73/567729773.db2.gz XRFNWRKXQCMWST-NHYWBVRUSA-N 0 0 384.299 3.282 20 30 GGEDRN C=CCCSCCNC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000597971093 567729766 /nfs/dbraw/zinc/72/97/66/567729766.db2.gz GZVARCHOWHQWIF-UHFFFAOYSA-N 0 0 391.356 3.008 20 30 GGEDRN C=CCCSCCNC(=O)c1c(F)cccc1I ZINC000597967911 567729878 /nfs/dbraw/zinc/72/98/78/567729878.db2.gz IJTQQNBGUMSFQX-UHFFFAOYSA-N 0 0 379.238 3.469 20 30 GGEDRN C=CCCSCCNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000597971497 567730072 /nfs/dbraw/zinc/73/00/72/567730072.db2.gz DUFDWMDPNQGHEP-UHFFFAOYSA-N 0 0 381.299 3.069 20 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/nfs/dbraw/zinc/75/95/35/567759535.db2.gz MJIBARYDQXYHNJ-UHFFFAOYSA-N 0 0 395.253 3.427 20 30 GGEDRN CCc1oc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc1C(=O)OC ZINC000554960133 567759694 /nfs/dbraw/zinc/75/96/94/567759694.db2.gz ZRXOHGMGBIQGPA-CYBMUJFWSA-N 0 0 391.221 3.386 20 30 GGEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000574154938 567759760 /nfs/dbraw/zinc/75/97/60/567759760.db2.gz AGUYJOKMJZYTAG-LXZKKBNFSA-N 0 0 394.313 3.061 20 30 GGEDRN CS[C@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000443470394 567760012 /nfs/dbraw/zinc/76/00/12/567760012.db2.gz VLUVPIAYSBXPPV-OLZOCXBDSA-N 0 0 389.340 3.273 20 30 GGEDRN N#C[C@@H](NC(=O)C1CCN(CC(F)F)CC1)c1ccccc1Br ZINC000598386180 567760218 /nfs/dbraw/zinc/76/02/18/567760218.db2.gz GJSWRJGRUKZYNW-CQSZACIVSA-N 0 0 386.240 3.107 20 30 GGEDRN N#CCc1ccnc(NC(=O)c2cc(I)c(F)cc2F)c1 ZINC000533256818 567760564 /nfs/dbraw/zinc/76/05/64/567760564.db2.gz MUYYPPVBQYSWBX-UHFFFAOYSA-N 0 0 399.138 3.283 20 30 GGEDRN CCS[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443485129 567761325 /nfs/dbraw/zinc/76/13/25/567761325.db2.gz OIPUFCSPAOJYKP-KGLIPLIRSA-N 0 0 389.340 3.273 20 30 GGEDRN COc1cccc([C@@H](C)NS(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000443480675 567761396 /nfs/dbraw/zinc/76/13/96/567761396.db2.gz DBYOTQSQWUSEQS-LLVKDONJSA-N 0 0 395.278 3.369 20 30 GGEDRN N#Cc1ccc(NC(=O)CN2CCC[C@@H](OCC(F)(F)F)C2)cc1Cl ZINC000533290427 567761948 /nfs/dbraw/zinc/76/19/48/567761948.db2.gz JQMKSEWGGAKMQY-CYBMUJFWSA-N 0 0 375.778 3.193 20 30 GGEDRN CO[C@@H](CNC(=O)COc1cccc(Br)c1C#N)C1CCCC1 ZINC000598394678 567762063 /nfs/dbraw/zinc/76/20/63/567762063.db2.gz VBJVVMCKIXYRHG-INIZCTEOSA-N 0 0 381.270 3.021 20 30 GGEDRN C[C@H](Cc1ccc(F)c(Br)c1)NS(=O)(=O)c1ccccc1C#N ZINC000443494279 567762318 /nfs/dbraw/zinc/76/23/18/567762318.db2.gz TWOBFDLRAVIPBA-LLVKDONJSA-N 0 0 397.269 3.369 20 30 GGEDRN CO[C@H](CNC(=O)COc1ccc(C#N)c(Br)c1)C1CCCC1 ZINC000598394661 567762593 /nfs/dbraw/zinc/76/25/93/567762593.db2.gz UTHXBJSNBUFTJR-MRXNPFEDSA-N 0 0 381.270 3.021 20 30 GGEDRN COCCNC(=O)c1ccccc1NCc1ccc(Br)cc1C#N ZINC000574195697 567763106 /nfs/dbraw/zinc/76/31/06/567763106.db2.gz INFZMDBTUOOZKD-UHFFFAOYSA-N 0 0 388.265 3.309 20 30 GGEDRN C=CCOc1c(Br)cc(CN(CC(=O)OC)C(C)C)cc1OC ZINC000508747799 567763878 /nfs/dbraw/zinc/76/38/78/567763878.db2.gz OHPHYZFDCMKCOY-UHFFFAOYSA-N 0 0 386.286 3.406 20 30 GGEDRN CC1(C)C[C@]1(C#N)NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000574209333 567763881 /nfs/dbraw/zinc/76/38/81/567763881.db2.gz HYQRHUKYBIBARS-CYBMUJFWSA-N 0 0 377.691 3.214 20 30 GGEDRN CC[C@](C)(COc1ncccc1Cl)NS(=O)(=O)c1ccccc1C#N ZINC000443507365 567763902 /nfs/dbraw/zinc/76/39/02/567763902.db2.gz IDZCGWJPBZLXPE-QGZVFWFLSA-N 0 0 379.869 3.133 20 30 GGEDRN N#Cc1nc(NCc2nc3cc(Br)cnc3[nH]2)ccc1C(F)(F)F ZINC000443510397 567764012 /nfs/dbraw/zinc/76/40/12/567764012.db2.gz NGBJYISKWYIKHZ-UHFFFAOYSA-N 0 0 397.158 3.040 20 30 GGEDRN C=CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)o1 ZINC000508740712 567764105 /nfs/dbraw/zinc/76/41/05/567764105.db2.gz RHQNUTPLUVQSOS-UHFFFAOYSA-N 0 0 376.258 3.462 20 30 GGEDRN Cc1cc(NC(=O)Nc2cc(F)cc(F)c2Br)nn1CCC#N ZINC000443528500 567764851 /nfs/dbraw/zinc/76/48/51/567764851.db2.gz DYXPBQRDSACBCT-UHFFFAOYSA-N 0 0 384.184 3.212 20 30 GGEDRN N#Cc1cc(Br)cc(S(=O)(=O)NCCCOc2ccccc2)c1 ZINC000443518489 567765025 /nfs/dbraw/zinc/76/50/25/567765025.db2.gz GMWJLBDPBNWBSN-UHFFFAOYSA-N 0 0 395.278 3.068 20 30 GGEDRN N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@H]2c2ccccc2)c1 ZINC000443516365 567765610 /nfs/dbraw/zinc/76/56/10/567765610.db2.gz BKYZAHUUCUWBIF-MRXNPFEDSA-N 0 0 377.263 3.456 20 30 GGEDRN CCc1ccc(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)s1 ZINC000443526787 567765685 /nfs/dbraw/zinc/76/56/85/567765685.db2.gz HZKGOVRIYJRBMU-UHFFFAOYSA-N 0 0 385.308 3.423 20 30 GGEDRN CCN(C(=O)CSCc1ccc(C#N)cc1)c1ncc(C(=O)OC)s1 ZINC000462073446 567766205 /nfs/dbraw/zinc/76/62/05/567766205.db2.gz DIEWWZDMLMDPKN-UHFFFAOYSA-N 0 0 375.475 3.088 20 30 GGEDRN C=CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)cc1 ZINC000508803791 567766160 /nfs/dbraw/zinc/76/61/60/567766160.db2.gz ZAQWVAXQAANYLT-AWEZNQCLSA-N 0 0 377.286 3.367 20 30 GGEDRN C[C@H](Nc1cc(Br)c(C#N)cc1F)c1cccc(S(N)(=O)=O)c1 ZINC000574243725 567766556 /nfs/dbraw/zinc/76/65/56/567766556.db2.gz HQMOIAHAZLPWSK-VIFPVBQESA-N 0 0 398.257 3.280 20 30 GGEDRN CC[C@H](Cc1ccc(Br)cc1)NC(=O)Cc1noc(C)c1C#N ZINC000598427018 567766496 /nfs/dbraw/zinc/76/64/96/567766496.db2.gz DINZRSBGIIGTFT-CQSZACIVSA-N 0 0 376.254 3.297 20 30 GGEDRN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)Cc1noc(C)c1C#N ZINC000598427017 567766527 /nfs/dbraw/zinc/76/65/27/567766527.db2.gz DINZRSBGIIGTFT-AWEZNQCLSA-N 0 0 376.254 3.297 20 30 GGEDRN Cc1ccc2c(n1)c(=O)c(C#N)cn2CCOc1ccc(Br)cc1 ZINC000443566276 567766701 /nfs/dbraw/zinc/76/67/01/567766701.db2.gz PZOAQBNPCOPMSQ-UHFFFAOYSA-N 0 0 384.233 3.418 20 30 GGEDRN C=CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](OC)C1 ZINC000508798527 567766816 /nfs/dbraw/zinc/76/68/16/567766816.db2.gz ULKQUHUMEINXAD-OAHLLOKOSA-N 0 0 393.285 3.031 20 30 GGEDRN N#Cc1cccc(CCNS(=O)(=O)c2cccc(Cl)c2Br)c1 ZINC000574245394 567766843 /nfs/dbraw/zinc/76/68/43/567766843.db2.gz ABDWVRBFRDHZKT-UHFFFAOYSA-N 0 0 399.697 3.495 20 30 GGEDRN C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCCOC1 ZINC000508811602 567767484 /nfs/dbraw/zinc/76/74/84/567767484.db2.gz IDCMYVTXDPAXDV-CYBMUJFWSA-N 0 0 394.317 3.095 20 30 GGEDRN C[C@H](C(=O)N1CCC(n2cc(Br)cn2)CC1)c1cccc(C#N)c1 ZINC000462075783 567767547 /nfs/dbraw/zinc/76/75/47/567767547.db2.gz TZMQUTXGNATWHV-ZDUSSCGKSA-N 0 0 387.281 3.484 20 30 GGEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000508815851 567767595 /nfs/dbraw/zinc/76/75/95/567767595.db2.gz DRJNLOJLUDBRNX-QWHCGFSZSA-N 0 0 392.301 3.085 20 30 GGEDRN C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](COC)C1 ZINC000508812267 567767639 /nfs/dbraw/zinc/76/76/39/567767639.db2.gz KIODGUXLOWUQSW-CYBMUJFWSA-N 0 0 394.317 3.095 20 30 GGEDRN C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H]1CCCCO1 ZINC000508810265 567767866 /nfs/dbraw/zinc/76/78/66/567767866.db2.gz CBDSCTFGSTWXBZ-AWEZNQCLSA-N 0 0 394.317 3.237 20 30 GGEDRN C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](OC)C1 ZINC000508813517 567768040 /nfs/dbraw/zinc/76/80/40/567768040.db2.gz PFAIAFFQADHEGL-ZDUSSCGKSA-N 0 0 393.285 3.127 20 30 GGEDRN CC(C)(C)CN(CCC#N)CC(=O)Nc1ccc(I)cc1 ZINC000533427259 567768578 /nfs/dbraw/zinc/76/85/78/567768578.db2.gz QVLOPKBCYIWROK-UHFFFAOYSA-N 0 0 399.276 3.491 20 30 GGEDRN CC#CCNC(=O)Nc1cc(I)ccc1Br ZINC000443607473 567768598 /nfs/dbraw/zinc/76/85/98/567768598.db2.gz UKOVSMQHICEZEY-UHFFFAOYSA-N 0 0 393.022 3.199 20 30 GGEDRN C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC000508842203 567768807 /nfs/dbraw/zinc/76/88/07/567768807.db2.gz WMGQPVVQLIHVLD-KRWDZBQOSA-N 0 0 380.279 3.140 20 30 GGEDRN C=CCn1c([C@H](C)Oc2cccc(Br)c2)nnc1N(C)CCOC ZINC000508867665 567770292 /nfs/dbraw/zinc/77/02/92/567770292.db2.gz QVIBTLKOHBGXFT-ZDUSSCGKSA-N 0 0 395.301 3.449 20 30 GGEDRN C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N(C)C[C@@H](C)C(=O)NC ZINC000508870617 567770345 /nfs/dbraw/zinc/77/03/45/567770345.db2.gz AOQCSYNVWNYOKN-LLVKDONJSA-N 0 0 382.295 3.256 20 30 GGEDRN C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1C[C@@H](OC)[C@H](OC)C1 ZINC000508854078 567770419 /nfs/dbraw/zinc/77/04/19/567770419.db2.gz BCCKMKSXVGAGOE-HUUCEWRRSA-N 0 0 383.279 3.288 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H](C)C(=O)NC ZINC000508861804 567770498 /nfs/dbraw/zinc/77/04/98/567770498.db2.gz BXAPQXYDQGJOFY-NSHDSACASA-N 0 0 382.295 3.256 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H](C)C(=O)NC ZINC000508861803 567770601 /nfs/dbraw/zinc/77/06/01/567770601.db2.gz BXAPQXYDQGJOFY-LLVKDONJSA-N 0 0 382.295 3.256 20 30 GGEDRN CN(Cc1cccc(C#N)c1)S(=O)(=O)CCc1ccccc1Br ZINC000462099118 567771136 /nfs/dbraw/zinc/77/11/36/567771136.db2.gz FDTKJXFEXNZBRS-UHFFFAOYSA-N 0 0 393.306 3.325 20 30 GGEDRN C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cc(C)on1 ZINC000508889438 567771327 /nfs/dbraw/zinc/77/13/27/567771327.db2.gz SJYZHMMUHJULHX-UHFFFAOYSA-N 0 0 391.273 3.165 20 30 GGEDRN C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@](C)(CC)C1 ZINC000508890411 567771504 /nfs/dbraw/zinc/77/15/04/567771504.db2.gz XFIZAQXEEJLDEB-QGZVFWFLSA-N 0 0 394.317 3.237 20 30 GGEDRN C=CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(Br)s1 ZINC000508879217 567771624 /nfs/dbraw/zinc/77/16/24/567771624.db2.gz DUKLAKXZJFDFGF-LLVKDONJSA-N 0 0 383.315 3.428 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H]1CCC(=O)N1C ZINC000667739452 567771861 /nfs/dbraw/zinc/77/18/61/567771861.db2.gz UGUHSFFYYKOKOK-CQSZACIVSA-N 0 0 383.261 3.114 20 30 GGEDRN N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000555135413 567771865 /nfs/dbraw/zinc/77/18/65/567771865.db2.gz LHJSDKGQGQPHSD-INIZCTEOSA-N 0 0 380.441 3.493 20 30 GGEDRN COC(=O)[C@@H](NCc1ccc(C#N)cc1F)c1ccc(Br)cc1 ZINC000533505883 567772066 /nfs/dbraw/zinc/77/20/66/567772066.db2.gz MUFYSNWJVSXHMZ-INIZCTEOSA-N 0 0 377.213 3.464 20 30 GGEDRN N#Cc1c(Br)cccc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000555137216 567772262 /nfs/dbraw/zinc/77/22/62/567772262.db2.gz ZFJJBVWTJBPJHG-UHFFFAOYSA-N 0 0 388.240 3.309 20 30 GGEDRN CC1(C)C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000574332250 567772457 /nfs/dbraw/zinc/77/24/57/567772457.db2.gz WOARZDPCBPEUCK-UHFFFAOYSA-N 0 0 375.837 3.138 20 30 GGEDRN N#Cc1cc(Br)ccc1C(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000598510279 567772710 /nfs/dbraw/zinc/77/27/10/567772710.db2.gz KYTLPRCLPSLQHZ-QGZVFWFLSA-N 0 0 384.277 3.325 20 30 GGEDRN N#Cc1cc(Br)ccc1CN1CCNC(=O)[C@H]1c1cccs1 ZINC000574347983 567773874 /nfs/dbraw/zinc/77/38/74/567773874.db2.gz NLQMFXWKMLJCED-OAHLLOKOSA-N 0 0 376.279 3.055 20 30 GGEDRN Cc1ccc(NC(=O)Cn2cc(Br)cc(C#N)c2=O)cc1Cl ZINC000574368665 567774368 /nfs/dbraw/zinc/77/43/68/567774368.db2.gz PYUVJBUHDJCZSJ-UHFFFAOYSA-N 0 0 380.629 3.083 20 30 GGEDRN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](COC)C1 ZINC000555220830 567775326 /nfs/dbraw/zinc/77/53/26/567775326.db2.gz GNNZMQPFOFOTCM-CYBMUJFWSA-N 0 0 394.317 3.475 20 30 GGEDRN COc1ccc(F)cc1S(=O)(=O)N(CCC(F)(F)F)CC(F)(F)F ZINC000647275244 567776502 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C=CCCOCC(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1C ZINC000735417034 598541040 /nfs/dbraw/zinc/54/10/40/598541040.db2.gz XPSXBCMEEFPYNU-UHFFFAOYSA-N 0 0 393.447 3.285 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000735419624 598625536 /nfs/dbraw/zinc/62/55/36/598625536.db2.gz YFBCKJCAYWHIRK-UHFFFAOYSA-N 0 0 382.399 3.235 20 30 GGEDRN Cc1c(C(=O)/C=C/c2c(Cl)nc3sccn23)c(-c2nn[nH]n2)c2n1CCC2 ZINC000737202395 598639616 /nfs/dbraw/zinc/63/96/16/598639616.db2.gz LYBZLMILPJBCLF-SNAWJCMRSA-N 0 0 399.867 3.182 20 30 GGEDRN N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(-c4nn[nH]n4)c3)cc2)nc1 ZINC000520334784 598644262 /nfs/dbraw/zinc/64/42/62/598644262.db2.gz VJIUECNTZZSEEM-UHFFFAOYSA-N 0 0 383.371 3.178 20 30 GGEDRN CC(C)CN(CCC#N)C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000735827421 598684836 /nfs/dbraw/zinc/68/48/36/598684836.db2.gz MXKQXSCVTPTUCS-UHFFFAOYSA-N 0 0 391.435 3.066 20 30 GGEDRN Cc1csc(C(C#N)C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)n1 ZINC000737457005 598734107 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ZINC000739107162 600566130 /nfs/dbraw/zinc/56/61/30/600566130.db2.gz VGKYABVHIBUNTB-SFHVURJKSA-N 0 0 398.850 3.083 20 30 GGEDRN CN(C[C@@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C ZINC000737409966 600566181 /nfs/dbraw/zinc/56/61/81/600566181.db2.gz OPQHPTDODKEFCO-WMZOPIPTSA-N 0 0 387.480 3.263 20 30 GGEDRN N#Cc1ccc([C@H](C(=O)[O-])[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000739105819 600566526 /nfs/dbraw/zinc/56/65/26/600566526.db2.gz ODPBBQVHZVTLJU-LJQANCHMSA-N 0 0 397.862 3.185 20 30 GGEDRN N#Cc1ccc([C@H](C(=O)[O-])[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000739106096 600567992 /nfs/dbraw/zinc/56/79/92/600567992.db2.gz PRPSZEXVHHLGLJ-LJQANCHMSA-N 0 0 381.407 3.174 20 30 GGEDRN C[C@H](c1ccc(F)cc1F)N1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736716852 600568375 /nfs/dbraw/zinc/56/83/75/600568375.db2.gz IYIOKKHDQXZKNT-VLIAUNLRSA-N 0 0 385.414 3.341 20 30 GGEDRN CN(CC1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000737414256 600568921 /nfs/dbraw/zinc/56/89/21/600568921.db2.gz ZFBIPOGCFXWPJV-GOSISDBHSA-N 0 0 387.480 3.263 20 30 GGEDRN COc1cccc([C@H](C)N2CC[NH+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000738089294 600568933 /nfs/dbraw/zinc/56/89/33/600568933.db2.gz CYVJHOVYMFVNAJ-KKSFZXQISA-N 0 0 379.460 3.071 20 30 GGEDRN C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736649877 600569760 /nfs/dbraw/zinc/56/97/60/600569760.db2.gz KEUBQYTXPLATOR-KSSFIOAISA-N 0 0 387.480 3.309 20 30 GGEDRN C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736649880 600569774 /nfs/dbraw/zinc/56/97/74/600569774.db2.gz KEUBQYTXPLATOR-RDTXWAMCSA-N 0 0 387.480 3.309 20 30 GGEDRN CC(=O)N1CCCCC[C@@H]1C1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736135147 600570887 /nfs/dbraw/zinc/57/08/87/600570887.db2.gz OGXNTXOGYSOCLC-RTWAWAEBSA-N 0 0 383.492 3.187 20 30 GGEDRN COc1cc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OCC(F)(F)F ZINC000737886810 600594754 /nfs/dbraw/zinc/59/47/54/600594754.db2.gz PYWNDQATJCCCDQ-QGZVFWFLSA-N 0 0 394.349 3.423 20 30 GGEDRN COc1ccc(C2(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000737983063 600595629 /nfs/dbraw/zinc/59/56/29/600595629.db2.gz PTEIXKYTFIHPMS-HXUWFJFHSA-N 0 0 380.444 3.031 20 30 GGEDRN CCc1noc(-c2ccc(CC[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)n1 ZINC000737292309 600597460 /nfs/dbraw/zinc/59/74/60/600597460.db2.gz NPHADZYFCKLYPY-LJQANCHMSA-N 0 0 376.416 3.129 20 30 GGEDRN CCc1noc(-c2ccc(CC[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)n1 ZINC000737292308 600597682 /nfs/dbraw/zinc/59/76/82/600597682.db2.gz NPHADZYFCKLYPY-IBGZPJMESA-N 0 0 376.416 3.129 20 30 GGEDRN N#Cc1ccc([C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C(=O)[O-])cc1 ZINC000739104842 600598408 /nfs/dbraw/zinc/59/84/08/600598408.db2.gz DNYGLIMZAVHDRZ-KRWDZBQOSA-N 0 0 382.807 3.220 20 30 GGEDRN CCOC(=O)c1[nH]c2c(c1C)C(=O)C(=Cc1ccc(-c3nn[nH]n3)cc1F)CC2 ZINC000821337201 607457771 /nfs/dbraw/zinc/45/77/71/607457771.db2.gz CTBFEPXIQKDSRY-WQLSENKSSA-N 0 0 395.394 3.032 20 30 GGEDRN CCOC(=O)c1oc2c(c1C)C(=O)C(=Cc1ccc(-c3nn[nH]n3)cc1F)CC2 ZINC000821346394 607457862 /nfs/dbraw/zinc/45/78/62/607457862.db2.gz HGJXEYPTQQBAKG-WQLSENKSSA-N 0 0 396.378 3.296 20 30 GGEDRN C=CCSc1nc2ccccc2n1C[N@@H+](CCC(=O)[O-])C1CCOCC1 ZINC000825702659 600719634 /nfs/dbraw/zinc/71/96/34/600719634.db2.gz SISUUOQIFROGKY-UHFFFAOYSA-N 0 0 375.494 3.228 20 30 GGEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])c1C#N ZINC000832849939 600820091 /nfs/dbraw/zinc/82/00/91/600820091.db2.gz TUXSDUJXICBHRX-GOSISDBHSA-N 0 0 394.475 3.234 20 30 GGEDRN Clc1ccccc1C#CCN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826353146 607495525 /nfs/dbraw/zinc/49/55/25/607495525.db2.gz CTOVLHSQGXGMQT-UHFFFAOYSA-N 0 0 393.878 3.415 20 30 GGEDRN COc1ccc([C@H](C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)N2CCCC2)cc1 ZINC000832241744 601297571 /nfs/dbraw/zinc/29/75/71/601297571.db2.gz YIPFGISSWUOYFH-LEWJYISDSA-N 0 0 379.460 3.119 20 30 GGEDRN COc1ccc([C@H](C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)N2CCCC2)cc1 ZINC000832241747 601297745 /nfs/dbraw/zinc/29/77/45/601297745.db2.gz YIPFGISSWUOYFH-SFTDATJTSA-N 0 0 379.460 3.119 20 30 GGEDRN CCOc1ccc(C2(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)CCOCC2)cc1 ZINC000830064878 601301625 /nfs/dbraw/zinc/30/16/25/601301625.db2.gz YCRXKDDRNFFNPW-NRFANRHFSA-N 0 0 394.471 3.421 20 30 GGEDRN N#Cc1cccc([C@@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)C(=O)[O-])c1 ZINC000833074892 601302475 /nfs/dbraw/zinc/30/24/75/601302475.db2.gz GDGRYKUBRBZEHC-HXUWFJFHSA-N 0 0 386.411 3.121 20 30 GGEDRN N#Cc1cccc([C@H](Nc2ccc(CC[NH+]3CCSCC3)cc2)C(=O)[O-])c1 ZINC000833075867 601303651 /nfs/dbraw/zinc/30/36/51/601303651.db2.gz NWKGBAQAWPGZHN-FQEVSTJZSA-N 0 0 381.501 3.387 20 30 GGEDRN CCc1noc(-c2ccc(CC[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)cc2)n1 ZINC000830338798 601304012 /nfs/dbraw/zinc/30/40/12/601304012.db2.gz AUWLAXUGILUQMX-IBGZPJMESA-N 0 0 376.416 3.129 20 30 GGEDRN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)cc1Br ZINC000832341922 601304369 /nfs/dbraw/zinc/30/43/69/601304369.db2.gz PWSHHYXDNFPSRR-INIZCTEOSA-N 0 0 375.222 3.245 20 30 GGEDRN N#Cc1cccc([C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C(=O)[O-])c1 ZINC000833076175 601305722 /nfs/dbraw/zinc/30/57/22/601305722.db2.gz RMNNUUXPAZXQBN-KRWDZBQOSA-N 0 0 382.807 3.220 20 30 GGEDRN N#Cc1cccc([C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C(=O)[O-])c1 ZINC000833076176 601305849 /nfs/dbraw/zinc/30/58/49/601305849.db2.gz RMNNUUXPAZXQBN-QGZVFWFLSA-N 0 0 382.807 3.220 20 30 GGEDRN C[N@H+](CCOc1ccc(Br)cc1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830792667 601309256 /nfs/dbraw/zinc/30/92/56/601309256.db2.gz YZMGIFBCCLJMGG-QGZVFWFLSA-N 0 0 389.249 3.457 20 30 GGEDRN C[N@H+](CCOc1ccc(Br)cc1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830792663 601309427 /nfs/dbraw/zinc/30/94/27/601309427.db2.gz YZMGIFBCCLJMGG-KRWDZBQOSA-N 0 0 389.249 3.457 20 30 GGEDRN COc1cc(C[N@H+](C)[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC(F)F ZINC000831989840 601309564 /nfs/dbraw/zinc/30/95/64/601309564.db2.gz NVTJRHYTRXPHHC-KRWDZBQOSA-N 0 0 376.359 3.426 20 30 GGEDRN COc1cccc(OC)c1OC1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832568234 601311678 /nfs/dbraw/zinc/31/16/78/601311678.db2.gz ZXTONAKGDZFWEM-HXUWFJFHSA-N 0 0 396.443 3.245 20 30 GGEDRN N#Cc1cccc([C@H](C(=O)[O-])[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000833074178 601312892 /nfs/dbraw/zinc/31/28/92/601312892.db2.gz RAGBCQAFYPHZQI-LJQANCHMSA-N 0 0 397.862 3.185 20 30 GGEDRN CN(C[C@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1)C(=O)OC(C)(C)C ZINC000830718365 601313703 /nfs/dbraw/zinc/31/37/03/601313703.db2.gz QLNZDKXWTKPTNK-SJLPKXTDSA-N 0 0 387.480 3.263 20 30 GGEDRN N#Cc1cccc([C@@H](C(=O)[O-])[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000833073916 601314355 /nfs/dbraw/zinc/31/43/55/601314355.db2.gz KGDLYHNVELTQTQ-IBGZPJMESA-N 0 0 381.407 3.174 20 30 GGEDRN N#Cc1cccc([C@@H](C(=O)[O-])[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000833074423 601314665 /nfs/dbraw/zinc/31/46/65/601314665.db2.gz XOHKALKFWWXHNA-SFHVURJKSA-N 0 0 389.415 3.009 20 30 GGEDRN N#Cc1cccc([C@H](C(=O)[O-])[NH+]2CCC(CN3CCc4ccccc43)CC2)c1 ZINC000833073952 601318413 /nfs/dbraw/zinc/31/84/13/601318413.db2.gz KYBUYLYMNRLTGP-JOCHJYFZSA-N 0 0 375.472 3.459 20 30 GGEDRN Cc1ccc(CNC(=O)C2CC[NH+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1 ZINC000832932774 601323574 /nfs/dbraw/zinc/32/35/74/601323574.db2.gz XQBZNPNOXJGBLM-OAQYLSRUSA-N 0 0 391.471 3.021 20 30 GGEDRN CCc1oc(C(=O)[O-])cc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000830363256 601414296 /nfs/dbraw/zinc/41/42/96/601414296.db2.gz PNXBZEJYRUSYMO-UHFFFAOYSA-N 0 0 381.432 3.263 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Nc1cnn(CCCC)c1C ZINC000823914655 607508624 /nfs/dbraw/zinc/50/86/24/607508624.db2.gz KUSZOHLVFAENNW-UHFFFAOYSA-N 0 0 394.483 3.392 20 30 GGEDRN COc1cc(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000831995367 601511246 /nfs/dbraw/zinc/51/12/46/601511246.db2.gz JLOMNBCJDMSKNI-BEFAXECRSA-N 0 0 380.444 3.298 20 30 GGEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1C#N ZINC000832849970 601513745 /nfs/dbraw/zinc/51/37/45/601513745.db2.gz VFRUVHFSYYKARX-FZKQIMNGSA-N 0 0 386.496 3.073 20 30 GGEDRN N#Cc1ccc(NC(=O)CC[N@@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])cc1Cl ZINC000833073151 601547330 /nfs/dbraw/zinc/54/73/30/601547330.db2.gz HEFNSTGYRUHNRQ-LJQANCHMSA-N 0 0 383.835 3.224 20 30 GGEDRN COc1cc2[nH]c(CCC[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2c(OC)c1 ZINC000832034305 601560651 /nfs/dbraw/zinc/56/06/51/601560651.db2.gz SBXBLBMFAJSLDR-NRFANRHFSA-N 0 0 393.443 3.405 20 30 GGEDRN CCOc1cccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1OC(F)F ZINC000830104879 601643021 /nfs/dbraw/zinc/64/30/21/601643021.db2.gz XROJCPAWBWOBJS-MRXNPFEDSA-N 0 0 376.359 3.474 20 30 GGEDRN COCCN(CC#Cc1cccc(Cl)c1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826157570 607519780 /nfs/dbraw/zinc/51/97/80/607519780.db2.gz AZYSEKBMVAWGKI-UHFFFAOYSA-N 0 0 381.867 3.020 20 30 GGEDRN C[C@@H]1CN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C[C@H]1[NH+](C)C 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/nfs/dbraw/zinc/93/67/02/601936702.db2.gz OYYSQZVVZHUCEC-QFIPXVFZSA-N 0 0 380.444 3.442 20 30 GGEDRN C[NH+](C)CCCN(CCC#N)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000830601331 601990848 /nfs/dbraw/zinc/99/08/48/601990848.db2.gz WPLARKKEQQLANO-UHFFFAOYSA-N 0 0 386.374 3.103 20 30 GGEDRN C=C(C)Cn1c(-c2ccncc2)nn(CN(CCC(=O)[O-])C(C)C)c1=S ZINC000825647972 602192222 /nfs/dbraw/zinc/19/22/22/602192222.db2.gz XYXJYEPVLHFEQT-UHFFFAOYSA-N 0 0 375.498 3.195 20 30 GGEDRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000827687367 602244571 /nfs/dbraw/zinc/24/45/71/602244571.db2.gz KWJGTAJPLZRUHY-QGTPRVQTSA-N 0 0 387.480 3.309 20 30 GGEDRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000827687639 602244911 /nfs/dbraw/zinc/24/49/11/602244911.db2.gz MQYLEMMGYGPUBM-JCGIZDLHSA-N 0 0 387.480 3.309 20 30 GGEDRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000827687487 602245136 /nfs/dbraw/zinc/24/51/36/602245136.db2.gz MQYLEMMGYGPUBM-BMGDILEWSA-N 0 0 387.480 3.309 20 30 GGEDRN Cc1cc(C#N)ccc1C(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1 ZINC000826257090 607664531 /nfs/dbraw/zinc/66/45/31/607664531.db2.gz MZSJNPBNDAWVHH-UHFFFAOYSA-N 0 0 397.398 3.486 20 30 GGEDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000826246050 607687570 /nfs/dbraw/zinc/68/75/70/607687570.db2.gz PRTPNXDHUHJTTA-OAHLLOKOSA-N 0 0 386.337 3.189 20 30 GGEDRN C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)cc1OCC ZINC000263387658 604543351 /nfs/dbraw/zinc/54/33/51/604543351.db2.gz DJOQOWJMBGXPBK-CYBMUJFWSA-N 0 0 384.270 3.319 20 30 GGEDRN C[C@@H](Oc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1)C(=O)[O-] ZINC000833538016 604566965 /nfs/dbraw/zinc/56/69/65/604566965.db2.gz BAHFTJAPEFRQDL-QGZVFWFLSA-N 0 0 379.460 3.122 20 30 GGEDRN N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)c2)cc1 ZINC000826382422 607701259 /nfs/dbraw/zinc/70/12/59/607701259.db2.gz DJHGOHLNHMPNOI-UHFFFAOYSA-N 0 0 399.414 3.092 20 30 GGEDRN C[C@H](Oc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1)C(=O)[O-] ZINC000833537960 604633295 /nfs/dbraw/zinc/63/32/95/604633295.db2.gz AFEBUQAPXVZQQM-INIZCTEOSA-N 0 0 380.444 3.454 20 30 GGEDRN C=CCOc1c(Br)cc(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)cc1OC ZINC000833377531 604668223 /nfs/dbraw/zinc/66/82/23/604668223.db2.gz ADTMRWXGVXWPAQ-YPMHNXCESA-N 0 0 384.270 3.175 20 30 GGEDRN C#CCNC(=S)C(C(=O)c1cccc(C(=O)[O-])c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000833365350 604742128 /nfs/dbraw/zinc/74/21/28/604742128.db2.gz HAEFAXDXICHKSN-UHFFFAOYSA-O 0 0 395.504 3.404 20 30 GGEDRN C[C@H](C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1)C(=O)[O-] ZINC000827450387 604746465 /nfs/dbraw/zinc/74/64/65/604746465.db2.gz WPGRQQBFMMKTSP-GFCCVEGCSA-N 0 0 375.494 3.012 20 30 GGEDRN N#Cc1cccc(-c2nnc(C[N@@H+](CCCC(=O)[O-])Cc3ccccc3)o2)c1 ZINC000833073570 604786646 /nfs/dbraw/zinc/78/66/46/604786646.db2.gz DTQZKWJMTSWBLE-UHFFFAOYSA-N 0 0 376.416 3.475 20 30 GGEDRN COc1cc(N[C@H]2CCC[N@@H+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)C2)cc(OC)c1 ZINC000832026093 604801224 /nfs/dbraw/zinc/80/12/24/604801224.db2.gz GMAOXIPGGRSCBX-LAUBAEHRSA-N 0 0 395.459 3.278 20 30 GGEDRN C[C@@]1([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCC[C@H]1C(=O)[O-] ZINC000833573686 604815570 /nfs/dbraw/zinc/81/55/70/604815570.db2.gz YHIKCQJSSROGIM-MGPUTAFESA-N 0 0 389.521 3.450 20 30 GGEDRN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833402131 604939612 /nfs/dbraw/zinc/93/96/12/604939612.db2.gz BRKCREJEULDVTD-HZPDHXFCSA-N 0 0 389.471 3.284 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833375685 604944648 /nfs/dbraw/zinc/94/46/48/604944648.db2.gz CZYYCEYFJCXGJG-HOTGVXAUSA-N 0 0 378.538 3.474 20 30 GGEDRN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000833417768 604947567 /nfs/dbraw/zinc/94/75/67/604947567.db2.gz XIYJNJHBYIPAPN-OAHLLOKOSA-N 0 0 391.899 3.409 20 30 GGEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833411072 604950830 /nfs/dbraw/zinc/95/08/30/604950830.db2.gz LGZMBHOBGQWNKI-STQMWFEESA-N 0 0 389.521 3.258 20 30 GGEDRN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833603304 604952109 /nfs/dbraw/zinc/95/21/09/604952109.db2.gz UCTPUWMJLAITNR-JWRWLIQVSA-N 0 0 377.529 3.129 20 30 GGEDRN CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833654592 605046883 /nfs/dbraw/zinc/04/68/83/605046883.db2.gz WLLIUVFRSFAVKF-NRFANRHFSA-N 0 0 378.476 3.317 20 30 GGEDRN CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833654433 605047013 /nfs/dbraw/zinc/04/70/13/605047013.db2.gz PFYMHBQFGAIHEE-OAQYLSRUSA-N 0 0 378.476 3.317 20 30 GGEDRN C[C@@]1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCCC[C@@H]1C(=O)[O-] ZINC000833571983 605072889 /nfs/dbraw/zinc/07/28/89/605072889.db2.gz RYTUGWSFIVLQLC-FOIQADDNSA-N 0 0 389.521 3.450 20 30 GGEDRN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833436029 605221133 /nfs/dbraw/zinc/22/11/33/605221133.db2.gz BJTQXYUZUKUBFY-FGTMMUONSA-N 0 0 385.464 3.158 20 30 GGEDRN CC(C)C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000833478694 605224991 /nfs/dbraw/zinc/22/49/91/605224991.db2.gz UDJFVJAIFZZDIN-KKSFZXQISA-N 0 0 393.487 3.491 20 30 GGEDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+]([C@H](C(=O)[O-])c3cccc(C#N)c3)C[C@H]21 ZINC000833439323 605428399 /nfs/dbraw/zinc/42/83/99/605428399.db2.gz QVIKCUFYRAORNQ-MKXGPGLRSA-N 0 0 399.491 3.309 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000819745914 606125370 /nfs/dbraw/zinc/12/53/70/606125370.db2.gz UTCLECSVRYCNNJ-UHFFFAOYSA-N 0 0 398.810 3.257 20 30 GGEDRN N#CC(CCOC(=O)c1cc(-c2nn[nH]n2)c[nH]1)(c1ccccc1)c1ccccc1 ZINC000822802396 606231446 /nfs/dbraw/zinc/23/14/46/606231446.db2.gz ZZABPARZVFPHHI-UHFFFAOYSA-N 0 0 398.426 3.252 20 30 GGEDRN CC(C)NC(=O)Nc1ccc(C(=O)C=Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000820137344 606304929 /nfs/dbraw/zinc/30/49/29/606304929.db2.gz JQZZVHSJJXLCIW-FPLPWBNLSA-N 0 0 382.449 3.354 20 30 GGEDRN CCOC(=O)c1oc2c(c1C)C(=O)C(=Cc1cc(-c3nn[nH]n3)cs1)CC2 ZINC000821347512 606305420 /nfs/dbraw/zinc/30/54/20/606305420.db2.gz WMLSJVVUISTNTF-POHAHGRESA-N 0 0 384.417 3.219 20 30 GGEDRN Cn1ccnc1COc1ccc(C(=O)C=Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000822699196 606306046 /nfs/dbraw/zinc/30/60/46/606306046.db2.gz RUSWHRYHBSUDQN-SREVYHEPSA-N 0 0 392.444 3.137 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H](CC)Oc1ccccc1F ZINC000819744110 606334879 /nfs/dbraw/zinc/33/48/79/606334879.db2.gz WSPJRLHUFXTYCM-SFHVURJKSA-N 0 0 395.438 3.378 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H](CC)Oc1ccccc1F ZINC000819744109 606335194 /nfs/dbraw/zinc/33/51/94/606335194.db2.gz WSPJRLHUFXTYCM-GOSISDBHSA-N 0 0 395.438 3.378 20 30 GGEDRN N#Cc1ccccc1N1C(=O)C(=Cc2cc(-c3nn[nH]n3)cs2)SC1=S ZINC000822842601 606336587 /nfs/dbraw/zinc/33/65/87/606336587.db2.gz PSKHSOQJDLSVCP-AWNIVKPZSA-N 0 0 396.482 3.206 20 30 GGEDRN COc1cc(C)c(C=CC(=O)c2c(C)n3c(c2-c2nn[nH]n2)CCC3)cc1OC ZINC000821708466 606339516 /nfs/dbraw/zinc/33/95/16/606339516.db2.gz QKANWCLCLGUPRD-BQYQJAHWSA-N 0 0 393.447 3.145 20 30 GGEDRN CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000820487000 606355972 /nfs/dbraw/zinc/35/59/72/606355972.db2.gz DSDDUZOMTDVHAS-LIRRHRJNSA-N 0 0 391.431 3.446 20 30 GGEDRN Cc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4nn[nH]n4)s3)S2)c(C)c1 ZINC000822254541 606387685 /nfs/dbraw/zinc/38/76/85/606387685.db2.gz MQNVSAKDMFPRMK-RIYZIHGNSA-N 0 0 382.474 3.437 20 30 GGEDRN CC(C)NC(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000820138619 606390258 /nfs/dbraw/zinc/39/02/58/606390258.db2.gz ZMVFGWSVECAQLO-VQHVLOKHSA-N 0 0 382.449 3.354 20 30 GGEDRN Cc1c(C(=O)C=Cc2ccc(-c3nn[nH]n3)s2)nnn1-c1ccc(C)cc1 ZINC000822224804 606390980 /nfs/dbraw/zinc/39/09/80/606390980.db2.gz ARVYGXQAJWFIIM-CLFYSBASSA-N 0 0 377.433 3.022 20 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Cc1cccc(C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1O ZINC000023190736 1399537860 /nfs/dbraw/zinc/53/78/60/1399537860.db2.gz OVZQBYCRBTXREW-UHFFFAOYSA-N 0 0 391.345 3.044 20 30 GGEDRN C=CCn1c(SCc2nc3ccccc3c(=O)n2C)nnc1-c1ccco1 ZINC000023202246 1399538818 /nfs/dbraw/zinc/53/88/18/1399538818.db2.gz DNLSIVLXCWMGDW-UHFFFAOYSA-N 0 0 379.445 3.263 20 30 GGEDRN C=CCn1c(SCc2cc(=O)n3cc(C)ccc3n2)nnc1-c1ccco1 ZINC000023201860 1399538832 /nfs/dbraw/zinc/53/88/32/1399538832.db2.gz FZLYSUKEQSLYFK-UHFFFAOYSA-N 0 0 379.445 3.333 20 30 GGEDRN Cc1nn(-c2ccccc2)c(COC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)c1C#N ZINC000023202460 1399539086 /nfs/dbraw/zinc/53/90/86/1399539086.db2.gz NONFZEFHVCSILS-YCRPNKLZSA-N 0 0 389.411 3.324 20 30 GGEDRN Cc1cc(C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c(C)o1 ZINC000023207190 1399539464 /nfs/dbraw/zinc/53/94/64/1399539464.db2.gz MUHKIFXWEVOWCY-UHFFFAOYSA-N 0 0 379.334 3.240 20 30 GGEDRN C#CCNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1 ZINC000023209027 1399539968 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GGEDRN N#Cc1ccnc(N2CCN(C(=O)c3cccc4c5c([nH]c43)CCCC5)CC2)c1 ZINC000024471051 1399633491 /nfs/dbraw/zinc/63/34/91/1399633491.db2.gz JUUPDPSRLMRKLK-UHFFFAOYSA-N 0 0 385.471 3.276 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000024497375 1399637184 /nfs/dbraw/zinc/63/71/84/1399637184.db2.gz ZPEYJTUOHJDOPZ-UHFFFAOYSA-N 0 0 384.501 3.300 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC000024498039 1399637326 /nfs/dbraw/zinc/63/73/26/1399637326.db2.gz CPYGQJIYUYIHHF-SBUREZEXSA-N 0 0 397.519 3.338 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000024498734 1399637861 /nfs/dbraw/zinc/63/78/61/1399637861.db2.gz AECPZQKJAGUHEE-MRXNPFEDSA-N 0 0 384.501 3.226 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC000024498739 1399637872 /nfs/dbraw/zinc/63/78/72/1399637872.db2.gz AECPZQKJAGUHEE-INIZCTEOSA-N 0 0 384.501 3.226 20 30 GGEDRN Cc1nn(C)c2nc(C)cc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)c12 ZINC000024508350 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GGEDRN C=CCN(C(=O)c1ccc(=O)n(-c2ccccc2)n1)c1nc2c(s1)CCCC2 ZINC000024671360 1399654721 /nfs/dbraw/zinc/65/47/21/1399654721.db2.gz GDCHRHCYERCKBS-UHFFFAOYSA-N 0 0 392.484 3.401 20 30 GGEDRN C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C[C@H](C)O1 ZINC000024678580 1399655141 /nfs/dbraw/zinc/65/51/41/1399655141.db2.gz WGPNYXZKWZEMMJ-CALCHBBNSA-N 0 0 392.503 3.275 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000024713274 1399661436 /nfs/dbraw/zinc/66/14/36/1399661436.db2.gz HQEPDMINOOHJOR-UHFFFAOYSA-N 0 0 383.517 3.072 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000024767367 1399668413 /nfs/dbraw/zinc/66/84/13/1399668413.db2.gz QVRQALWYDOHFKP-HXUWFJFHSA-N 0 0 388.395 3.209 20 30 GGEDRN C[C@H](Oc1ccccc1F)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000024770505 1399669508 /nfs/dbraw/zinc/66/95/08/1399669508.db2.gz AANCNLFVWNSLCS-HNAYVOBHSA-N 0 0 385.414 3.141 20 30 GGEDRN N#CCCNC(=O)COC(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000024775117 1399670251 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Cc1nn(-c2ccccc2)c(CN2C(=O)NC3(CCC(C)CC3)C2=O)c1C#N ZINC000027125122 1399987766 /nfs/dbraw/zinc/98/77/66/1399987766.db2.gz HKYCTWNKZUAAOM-UHFFFAOYSA-N 0 0 377.448 3.053 20 30 GGEDRN C=CCSc1ccccc1NC(=O)CN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000027142831 1399993773 /nfs/dbraw/zinc/99/37/73/1399993773.db2.gz BOQLVOISRLNJDD-GOSISDBHSA-N 0 0 399.516 3.277 20 30 GGEDRN O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCN(Cc2ccccn2)CC1 ZINC000027163044 1399999139 /nfs/dbraw/zinc/99/91/39/1399999139.db2.gz QBKZMVBJWRXHNW-UHFFFAOYSA-N 0 0 381.479 3.439 20 30 GGEDRN COc1cccc(C(=O)C(C(=S)NCc2ccccc2)[n+]2cccc([O-])c2)c1 ZINC000027199901 1400003851 /nfs/dbraw/zinc/00/38/51/1400003851.db2.gz NYFNMRDZSGWFOI-UHFFFAOYSA-O 0 0 393.488 3.417 20 30 GGEDRN C=CCn1c(C)cc(C(=O)CN2C(=O)C(=O)N([C@@H](C)c3ccccc3)C2=O)c1C ZINC000027291328 1400016402 /nfs/dbraw/zinc/01/64/02/1400016402.db2.gz ONHKXHDHBKARSE-HNNXBMFYSA-N 0 0 393.443 3.026 20 30 GGEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000027314208 1400019088 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C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCc2noc(C)n2)cc1 ZINC000027394705 1400032329 /nfs/dbraw/zinc/03/23/29/1400032329.db2.gz UVOIXVPFHDNATL-UHFFFAOYSA-N 0 0 392.415 3.125 20 30 GGEDRN C[C@@H]1c2cccn2CCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000027428663 1400037761 /nfs/dbraw/zinc/03/77/61/1400037761.db2.gz NERZFXVTHNUYRM-OAHLLOKOSA-N 0 0 375.394 3.051 20 30 GGEDRN C[C@H]1c2cccn2CCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000027428658 1400037864 /nfs/dbraw/zinc/03/78/64/1400037864.db2.gz NERZFXVTHNUYRM-HNNXBMFYSA-N 0 0 375.394 3.051 20 30 GGEDRN C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)cc1OC ZINC000027443129 1400040999 /nfs/dbraw/zinc/04/09/99/1400040999.db2.gz VTYOAODPXMJMDG-HNNXBMFYSA-N 0 0 381.428 3.395 20 30 GGEDRN CCCOc1c(Cl)cc(C(=O)OCC(=O)N(C)C(C)(C)C#N)cc1OCC ZINC000027481765 1400046704 /nfs/dbraw/zinc/04/67/04/1400046704.db2.gz BFBMZWBZJCDDKL-UHFFFAOYSA-N 0 0 396.871 3.445 20 30 GGEDRN COc1cc(C(=O)OCC(=O)N(C)C(C)(C)C#N)cc(Cl)c1OCC(C)C ZINC000027514949 1400050350 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20 30 GGEDRN CCc1ccc(CN(C)C(=O)COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000027717779 1400081745 /nfs/dbraw/zinc/08/17/45/1400081745.db2.gz AWYFWJGPMNOMHG-MRXNPFEDSA-N 0 0 380.444 3.090 20 30 GGEDRN CC(C)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3C#N)CC2)cc1 ZINC000027715929 1400081912 /nfs/dbraw/zinc/08/19/12/1400081912.db2.gz KNVBJPYPYXDYFZ-UHFFFAOYSA-N 0 0 383.517 3.188 20 30 GGEDRN CC(C)c1ccc(S(=O)(=O)N2CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC000027715592 1400081997 /nfs/dbraw/zinc/08/19/97/1400081997.db2.gz XFUSDMQWWUMPSB-UHFFFAOYSA-N 0 0 383.517 3.188 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1c(C)nsc1NC ZINC000027720738 1400082302 /nfs/dbraw/zinc/08/23/02/1400082302.db2.gz AAVDCTVENRINMR-GFCCVEGCSA-N 0 0 379.507 3.315 20 30 GGEDRN CNc1snc(C)c1C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000027720277 1400082673 /nfs/dbraw/zinc/08/26/73/1400082673.db2.gz XZIIJKSCOJSGMX-GFCCVEGCSA-N 0 0 390.440 3.125 20 30 GGEDRN Cc1ccc(C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1F ZINC000027752769 1400087207 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N#Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc1 ZINC000027802141 1400093960 /nfs/dbraw/zinc/09/39/60/1400093960.db2.gz AVOBITCNCBTDTO-UHFFFAOYSA-N 0 0 396.428 3.274 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1 ZINC000027802139 1400094448 /nfs/dbraw/zinc/09/44/48/1400094448.db2.gz VMUDHCZBZSPWCS-UHFFFAOYSA-N 0 0 396.428 3.274 20 30 GGEDRN C[C@@](C#N)(NC(=O)COC(=O)CCc1ccc(-c2ccccc2F)o1)C1CC1 ZINC000027814810 1400096522 /nfs/dbraw/zinc/09/65/22/1400096522.db2.gz KTUJRVYKSNQEJA-NRFANRHFSA-N 0 0 384.407 3.370 20 30 GGEDRN CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2ccsc2c1=O ZINC000027823767 1400096996 /nfs/dbraw/zinc/09/69/96/1400096996.db2.gz LVQWLWDUKHHWCA-NSHDSACASA-N 0 0 384.486 3.469 20 30 GGEDRN N#Cc1ccc(NC(=O)CN2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000027891189 1400102937 /nfs/dbraw/zinc/10/29/37/1400102937.db2.gz YOVAFJHJVQOLJC-UHFFFAOYSA-N 0 0 398.466 3.108 20 30 GGEDRN C#CCNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(C)c(F)c1 ZINC000027919825 1400105731 /nfs/dbraw/zinc/10/57/31/1400105731.db2.gz SOPIKWOGZCLPLB-AWEZNQCLSA-N 0 0 395.459 3.063 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)COC)cc2)cc1OC ZINC000027981000 1400114888 /nfs/dbraw/zinc/11/48/88/1400114888.db2.gz ZBRHYPIHMQVAGA-WUXMJOGZSA-N 0 0 396.443 3.497 20 30 GGEDRN CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1 ZINC000027998309 1400116312 /nfs/dbraw/zinc/11/63/12/1400116312.db2.gz LUSTUVDKZCLYLE-LJQANCHMSA-N 0 0 385.489 3.150 20 30 GGEDRN C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cc2ccccc2o1 ZINC000028018102 1400119158 /nfs/dbraw/zinc/11/91/58/1400119158.db2.gz RXPHPWSPQHLQBZ-AWEZNQCLSA-N 0 0 397.456 3.116 20 30 GGEDRN C=CCn1c2ncn(CC(=O)Nc3ccc(C)cc3C)c(=O)c2sc1=S ZINC000028064846 1400124673 /nfs/dbraw/zinc/12/46/73/1400124673.db2.gz PFRMAUUURYPUPO-UHFFFAOYSA-N 0 0 386.502 3.431 20 30 GGEDRN C[C@H](Sc1nnnn1C1CCCC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000028146610 1400134151 /nfs/dbraw/zinc/13/41/51/1400134151.db2.gz IJYKVBATAYTWQF-ZDUSSCGKSA-N 0 0 388.472 3.355 20 30 GGEDRN 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C=CCn1c(SCC(=O)N(C)Cc2ccc(OCC)cc2)nnc1C1CC1 ZINC000049583658 1405384143 /nfs/dbraw/zinc/38/41/43/1405384143.db2.gz NKJQLAPRIKDDMG-UHFFFAOYSA-N 0 0 386.521 3.491 20 30 GGEDRN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1 ZINC000049612164 1405385772 /nfs/dbraw/zinc/38/57/72/1405385772.db2.gz BOKYQHXHKNKZQQ-UHFFFAOYSA-N 0 0 386.473 3.037 20 30 GGEDRN COc1cc(OC)cc([C@H](NC(=O)c2cccc(CC#N)c2)c2nccn2C)c1 ZINC000049619771 1405387587 /nfs/dbraw/zinc/38/75/87/1405387587.db2.gz JXXHIJNBLGRLGD-FQEVSTJZSA-N 0 0 390.443 3.023 20 30 GGEDRN CC(C)OC(=O)C[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1[N+](=O)[O-] ZINC000049634409 1405388647 /nfs/dbraw/zinc/38/86/47/1405388647.db2.gz NZQMHXQEDFGKQR-GOSISDBHSA-N 0 0 395.415 3.474 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(-c2nnco2)c1 ZINC000049651967 1405390701 /nfs/dbraw/zinc/39/07/01/1405390701.db2.gz GPSYFTKQDFQVBF-UHFFFAOYSA-N 0 0 378.388 3.415 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000049651242 1405390936 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1408821463 /nfs/dbraw/zinc/82/14/63/1408821463.db2.gz HNINMEODQXZBFR-UHFFFAOYSA-N 0 0 375.457 3.229 20 30 GGEDRN COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)c1 ZINC000176528922 1428351678 /nfs/dbraw/zinc/35/16/78/1428351678.db2.gz NXKCIDZUMRKOTE-LJQANCHMSA-N 0 0 387.395 3.215 20 30 GGEDRN C=CCn1c(=S)n(CN2CCN(c3ccc(Cl)cn3)CC2)nc1C1CC1 ZINC000066371748 1408824628 /nfs/dbraw/zinc/82/46/28/1408824628.db2.gz MDBFTSSHSXHRBM-UHFFFAOYSA-N 0 0 390.944 3.306 20 30 GGEDRN Cc1ccccc1-n1cc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000066371023 1408824771 /nfs/dbraw/zinc/82/47/71/1408824771.db2.gz NROBAUSQCLKDLS-UHFFFAOYSA-N 0 0 385.471 3.010 20 30 GGEDRN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000066374716 1408825586 /nfs/dbraw/zinc/82/55/86/1408825586.db2.gz IQFCDASDOYYWNI-VGSWGCGISA-N 0 0 384.524 3.476 20 30 GGEDRN COCCOc1c(Cl)cccc1NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000066374797 1408825735 /nfs/dbraw/zinc/82/57/35/1408825735.db2.gz NRUMRYCQNNSOHB-UHFFFAOYSA-N 0 0 379.888 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N#C[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)c1cccc(Cl)c1Cl ZINC000066392922 1408829345 /nfs/dbraw/zinc/82/93/45/1408829345.db2.gz GQVUZLGITCLTSS-OAHLLOKOSA-N 0 0 387.226 3.084 20 30 GGEDRN N#C[C@@H](NC(=O)CNC(=O)Cc1cccc(F)c1)c1cccc(Cl)c1Cl ZINC000066392887 1408829409 /nfs/dbraw/zinc/82/94/09/1408829409.db2.gz IHKJHDYUNNXTDM-OAHLLOKOSA-N 0 0 394.233 3.172 20 30 GGEDRN N#C[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1cccc(Cl)c1Cl ZINC000066393031 1408829428 /nfs/dbraw/zinc/82/94/28/1408829428.db2.gz LRJZAAUQAYMELT-AWEZNQCLSA-N 0 0 387.226 3.084 20 30 GGEDRN CN1C(=O)c2ccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc2C1=O ZINC000066394665 1408829722 /nfs/dbraw/zinc/82/97/22/1408829722.db2.gz XGIVGUOHZSVKIJ-CQSZACIVSA-N 0 0 388.210 3.214 20 30 GGEDRN C[C@@H](Sc1nnnn1C1CC1)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000066397227 1408830488 /nfs/dbraw/zinc/83/04/88/1408830488.db2.gz QQCXWEHEGLNZPP-WBMJQRKESA-N 0 0 384.509 3.167 20 30 GGEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCN2c3ccccc3OCC2=O)cc1 ZINC000066396583 1408830524 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HOGUASWXUAIKAK-KRWDZBQOSA-N 0 0 377.444 3.091 20 30 GGEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCNC(=O)Cc2ccccc2)cc1 ZINC000066397480 1408830990 /nfs/dbraw/zinc/83/09/90/1408830990.db2.gz SIBOBHSBXMAPMB-HXUWFJFHSA-N 0 0 377.488 3.414 20 30 GGEDRN COc1cccc(-n2ccnc2SC[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000066398995 1408831077 /nfs/dbraw/zinc/83/10/77/1408831077.db2.gz IVDNSOJDEFNRHI-SFHVURJKSA-N 0 0 395.484 3.479 20 30 GGEDRN N#CCc1ccc(NC(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1 ZINC000066401546 1408831491 /nfs/dbraw/zinc/83/14/91/1408831491.db2.gz IRMSRUWPVLSCDK-MRXNPFEDSA-N 0 0 393.365 3.333 20 30 GGEDRN COCCOc1ccccc1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000066403381 1408831691 /nfs/dbraw/zinc/83/16/91/1408831691.db2.gz FQRRPKFBSSFXDX-UHFFFAOYSA-N 0 0 398.438 3.077 20 30 GGEDRN Cc1ccc(-c2nsc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)n2)s1 ZINC000066413191 1408833580 /nfs/dbraw/zinc/83/35/80/1408833580.db2.gz SSTUSPPFFFOPSG-UHFFFAOYSA-N 0 0 399.501 3.323 20 30 GGEDRN COCCOc1ccc(F)cc1NC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000066432014 1408837185 /nfs/dbraw/zinc/83/71/85/1408837185.db2.gz BKTHZCUPMQKXQO-UHFFFAOYSA-N 0 0 388.443 3.149 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)c2ccc(OCC(=O)NC)c(OC)c2)c1 ZINC000066462966 1408842478 /nfs/dbraw/zinc/84/24/78/1408842478.db2.gz RRUFESPVGPUGSV-UHFFFAOYSA-N 0 0 384.432 3.027 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000066463431 1408842491 /nfs/dbraw/zinc/84/24/91/1408842491.db2.gz DDSYJRRROZMIGL-UHFFFAOYSA-N 0 0 386.473 3.434 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1 ZINC000066463707 1408842628 /nfs/dbraw/zinc/84/26/28/1408842628.db2.gz HSNRXPVIKPTUOB-UHFFFAOYSA-N 0 0 375.428 3.499 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1 ZINC000066463703 1408842693 /nfs/dbraw/zinc/84/26/93/1408842693.db2.gz QFUMTTAPUYYPOV-VFNWGFHPSA-N 0 0 385.464 3.081 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1 ZINC000066463705 1408842821 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C[C@H](SCc1ccccc1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000066526411 1408853043 /nfs/dbraw/zinc/85/30/43/1408853043.db2.gz UIKMIULQERCTTO-INIZCTEOSA-N 0 0 380.517 3.360 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)nc1 ZINC000066526416 1408853048 /nfs/dbraw/zinc/85/30/48/1408853048.db2.gz DYQDSRLDPZIPHD-LSDHHAIUSA-N 0 0 380.414 3.407 20 30 GGEDRN CC(C)Oc1ncc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1Cl ZINC000066526177 1408853079 /nfs/dbraw/zinc/85/30/79/1408853079.db2.gz ZOVYSZITZUUKEV-UHFFFAOYSA-N 0 0 399.882 3.188 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)CCCOc3cccc(F)c3)CC2)nc1 ZINC000066526143 1408853175 /nfs/dbraw/zinc/85/31/75/1408853175.db2.gz GNRWQPUWKFJQDO-UHFFFAOYSA-N 0 0 382.439 3.037 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)CCOc3ccc(Cl)cc3)CC2)nc1 ZINC000066526445 1408853217 /nfs/dbraw/zinc/85/32/17/1408853217.db2.gz GVFFEORDLNOWBO-UHFFFAOYSA-N 0 0 384.867 3.161 20 30 GGEDRN Cc1nc(C(F)(F)F)ccc1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000066526565 1408853373 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C=C(C)COc1cccc(NC(=O)C(=O)NCc2nc3ccccc3n2CC)c1 ZINC000067492877 1409135778 /nfs/dbraw/zinc/13/57/78/1409135778.db2.gz ALSYUUYKGNHOLB-UHFFFAOYSA-N 0 0 392.459 3.266 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NCc2ccccc2OC(F)F)c1 ZINC000067494711 1409136729 /nfs/dbraw/zinc/13/67/29/1409136729.db2.gz ZFCYWBCFNUVTHZ-UHFFFAOYSA-N 0 0 390.386 3.498 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NCc2ccc(OCC)c(OC)c2)c1 ZINC000067496346 1409137545 /nfs/dbraw/zinc/13/75/45/1409137545.db2.gz KKCPCAUMMKMDTG-UHFFFAOYSA-N 0 0 398.459 3.304 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(OC)cc2OC)c1 ZINC000067496743 1409137577 /nfs/dbraw/zinc/13/75/77/1409137577.db2.gz DDGJIPCMVCFPOR-HNNXBMFYSA-N 0 0 398.459 3.475 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H](C)N(C)c2ccccc2)c1 ZINC000067497432 1409137748 /nfs/dbraw/zinc/13/77/48/1409137748.db2.gz OCAFSCIYPCJLJJ-KRWDZBQOSA-N 0 0 381.476 3.221 20 30 GGEDRN Cc1occc1C(=O)Nc1nc(CC(=O)N[C@@H](C#N)C2CCCCC2)cs1 ZINC000176610955 1428378879 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GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1)c1ccc(C#N)cc1 ZINC000067556425 1409160531 /nfs/dbraw/zinc/16/05/31/1409160531.db2.gz ZWJZIOIQEUGCHY-CYBMUJFWSA-N 0 0 393.834 3.213 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NCc2ccc(-n3ccnc3)cc2)c1 ZINC000067557393 1409160723 /nfs/dbraw/zinc/16/07/23/1409160723.db2.gz RRTRZMPWEQMKSE-UHFFFAOYSA-N 0 0 390.443 3.082 20 30 GGEDRN N#Cc1ccc(CN2CCN(C(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000067564853 1409165566 /nfs/dbraw/zinc/16/55/66/1409165566.db2.gz MPXOMMUHJAOWAI-RTWAWAEBSA-N 0 0 378.451 3.081 20 30 GGEDRN COc1ccc(CSCC(=O)N[C@H](C#N)C2CCCCC2)cc1[N+](=O)[O-] ZINC000176620419 1428381981 /nfs/dbraw/zinc/38/19/81/1428381981.db2.gz AHBAEKKBVCVEOH-OAHLLOKOSA-N 0 0 377.466 3.425 20 30 GGEDRN C[C@H]1CN(Cc2cccc(CNC(=O)Nc3cccc(OCC#N)c3)c2)CCO1 ZINC000067568026 1409167509 /nfs/dbraw/zinc/16/75/09/1409167509.db2.gz FSCXLOCBJVQDQC-KRWDZBQOSA-N 0 0 394.475 3.131 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000067570308 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GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1nc(-c2ncccn2)no1 ZINC000067964195 1409265511 /nfs/dbraw/zinc/26/55/11/1409265511.db2.gz BEAAARQQWHDYTP-UHFFFAOYSA-N 0 0 389.868 3.389 20 30 GGEDRN C=CCNC(=O)NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000067989105 1409271474 /nfs/dbraw/zinc/27/14/74/1409271474.db2.gz ZTGNMBCPWVPACF-HNNXBMFYSA-N 0 0 378.432 3.471 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]1c1nc2ccccc2n1C ZINC000068002001 1409273792 /nfs/dbraw/zinc/27/37/92/1409273792.db2.gz WKPDWJKXQCEEQW-SFHVURJKSA-N 0 0 390.443 3.196 20 30 GGEDRN N#C[C@H]1COCCN1C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000176648535 1428390883 /nfs/dbraw/zinc/39/08/83/1428390883.db2.gz LFESYSVDVVKYCE-AORQRIRUSA-N 0 0 378.272 3.488 20 30 GGEDRN N#C[C@@H]1COCCN1C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC000176649389 1428390920 /nfs/dbraw/zinc/39/09/20/1428390920.db2.gz MEMDLUSDBQVOCF-QGZVFWFLSA-N 0 0 383.473 3.074 20 30 GGEDRN N#C[C@@H]1COCCN1C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000176648554 1428390951 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20 30 GGEDRN C=C(Br)CNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC000112631807 1412182554 /nfs/dbraw/zinc/18/25/54/1412182554.db2.gz LYQBMYVMOXEUAI-XNTDXEJSSA-N 0 0 375.222 3.075 20 30 GGEDRN C[C@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000112678811 1412191069 /nfs/dbraw/zinc/19/10/69/1412191069.db2.gz ANEDXSQZFKIMAL-OAHLLOKOSA-N 0 0 399.520 3.477 20 30 GGEDRN Cc1csc(C2(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CCCC2)n1 ZINC000112688283 1412193212 /nfs/dbraw/zinc/19/32/12/1412193212.db2.gz KUNDJNGNLLFXGJ-UHFFFAOYSA-N 0 0 392.488 3.290 20 30 GGEDRN C=CCn1c(C2CC2)nn(CN2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1=S ZINC000112694952 1412194265 /nfs/dbraw/zinc/19/42/65/1412194265.db2.gz MKPQNLCBRBJDRT-HNNXBMFYSA-N 0 0 391.585 3.309 20 30 GGEDRN Cc1sc(NC(=O)CN2CCC[C@H](c3nnc4ccccn43)C2)c(C#N)c1C ZINC000177207732 1428632048 /nfs/dbraw/zinc/63/20/48/1428632048.db2.gz NFUQTANTQQGWKU-HNNXBMFYSA-N 0 0 394.504 3.097 20 30 GGEDRN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)Cc1nc2ccccc2n1C ZINC000177206763 1428632240 /nfs/dbraw/zinc/63/22/40/1428632240.db2.gz ZTVAKVVTQPBXQG-PSCUFVCCSA-N 0 0 381.524 3.324 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)NCCNC(=O)c2c(F)cccc2F)cc1 ZINC000112735199 1412205751 /nfs/dbraw/zinc/20/57/51/1412205751.db2.gz ZQMNBHYHTZLQNE-UHFFFAOYSA-N 0 0 386.402 3.317 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CCCc3nc(C)sc32)cc1 ZINC000112766943 1412213737 /nfs/dbraw/zinc/21/37/37/1412213737.db2.gz HPVFTNKVHXGJAY-INIZCTEOSA-N 0 0 392.502 3.150 20 30 GGEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H](C)Oc2ccc(F)cc2Cl)c1 ZINC000112803098 1412219643 /nfs/dbraw/zinc/21/96/43/1412219643.db2.gz MRKADOBVJIJNTF-CYBMUJFWSA-N 0 0 388.826 3.007 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3F)CC2)nc1 ZINC000112812463 1412220633 /nfs/dbraw/zinc/22/06/33/1412220633.db2.gz OIMZPSQIAAZSCP-ZWKOTPCHSA-N 0 0 382.414 3.120 20 30 GGEDRN CC(C)COC(=O)N1CCC(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)CC1 ZINC000112830527 1412222213 /nfs/dbraw/zinc/22/22/13/1412222213.db2.gz OFTRULIEIWDXBB-UHFFFAOYSA-N 0 0 395.463 3.187 20 30 GGEDRN N#Cc1ccc(-n2nccc2NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)cc1 ZINC000112831527 1412222635 /nfs/dbraw/zinc/22/26/35/1412222635.db2.gz YSLQWEANZMDVLM-SFHVURJKSA-N 0 0 375.363 3.015 20 30 GGEDRN N#Cc1ccc(-n2nccc2NC(=O)c2ccc(OCC(F)(F)F)nc2)cc1 ZINC000112831148 1412222694 /nfs/dbraw/zinc/22/26/94/1412222694.db2.gz GHOASKHMQKIPOM-UHFFFAOYSA-N 0 0 387.321 3.332 20 30 GGEDRN C=CCc1ccc(OCC(=O)Nc2ccnn2-c2ccc(C#N)cc2)c(OC)c1 ZINC000112831660 1412222772 /nfs/dbraw/zinc/22/27/72/1412222772.db2.gz BGMLGIYCDNBYHN-UHFFFAOYSA-N 0 0 388.427 3.499 20 30 GGEDRN N#Cc1ccc(-n2nccc2NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000112832237 1412222780 /nfs/dbraw/zinc/22/27/80/1412222780.db2.gz PDLKGRPSLUVFTM-UHFFFAOYSA-N 0 0 399.370 3.090 20 30 GGEDRN Cc1c(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000112832396 1412222831 /nfs/dbraw/zinc/22/28/31/1412222831.db2.gz LAHKQTYEXNMOOW-UHFFFAOYSA-N 0 0 392.331 3.121 20 30 GGEDRN C[C@H](CC(=O)Nc1ccnn1-c1ccc(C#N)cc1)NC(=O)C1CCCCC1 ZINC000112833328 1412223194 /nfs/dbraw/zinc/22/31/94/1412223194.db2.gz YGKVZTPRGMKUPT-OAHLLOKOSA-N 0 0 379.464 3.158 20 30 GGEDRN C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccnn2-c2ccc(C#N)cc2)CC1=O ZINC000112833182 1412223310 /nfs/dbraw/zinc/22/33/10/1412223310.db2.gz PAJHIYVPUGYSTG-VQIMIIECSA-N 0 0 399.454 3.292 20 30 GGEDRN Cc1ccc(CN2C[C@H](C(=O)Nc3ccnn3-c3ccc(C#N)cc3)CC2=O)cc1 ZINC000112833244 1412223330 /nfs/dbraw/zinc/22/33/30/1412223330.db2.gz FDROFRZLHJCFSM-LJQANCHMSA-N 0 0 399.454 3.040 20 30 GGEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000177210281 1428633852 /nfs/dbraw/zinc/63/38/52/1428633852.db2.gz PSYQDVDVEYDUAW-ZWKOTPCHSA-N 0 0 381.505 3.042 20 30 GGEDRN N#Cc1ccc(CNC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)cc1 ZINC000112865375 1412227236 /nfs/dbraw/zinc/22/72/36/1412227236.db2.gz GNKXTBJTHIVLAD-FYJGNVAPSA-N 0 0 382.423 3.041 20 30 GGEDRN C[C@H](CC#N)NC(=O)CC[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)CC#N ZINC000112885629 1412230238 /nfs/dbraw/zinc/23/02/38/1412230238.db2.gz ANVVVHRTYXNRKJ-VYDXJSESSA-N 0 0 388.899 3.116 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)CCc2c(C)[nH]c3nn(C)c(=O)c-3c2C)cc1 ZINC000112884330 1412230545 /nfs/dbraw/zinc/23/05/45/1412230545.db2.gz BKYPJTMWCJTCKF-UHFFFAOYSA-N 0 0 391.475 3.066 20 30 GGEDRN N#C[C@H](NC(=O)CNCC(F)(F)F)c1ccc(OCc2ccccc2)cc1 ZINC000112895877 1412232074 /nfs/dbraw/zinc/23/20/74/1412232074.db2.gz YGRRNMJFYWOTDB-KRWDZBQOSA-N 0 0 377.366 3.098 20 30 GGEDRN C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N(CCC#N)Cc1ccccn1 ZINC000112900675 1412233192 /nfs/dbraw/zinc/23/31/92/1412233192.db2.gz ZTPWTRMHHQSGRI-KRWDZBQOSA-N 0 0 392.503 3.440 20 30 GGEDRN COc1ccccc1NCC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000112912247 1412237072 /nfs/dbraw/zinc/23/70/72/1412237072.db2.gz SLFCWAVNIBLDOP-UHFFFAOYSA-N 0 0 379.460 3.485 20 30 GGEDRN C#CCN1CCN(C(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)CC1 ZINC000112920551 1412241187 /nfs/dbraw/zinc/24/11/87/1412241187.db2.gz HQWVRBBDPMFQDO-UHFFFAOYSA-N 0 0 386.455 3.103 20 30 GGEDRN C#CCN1CCN(C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)CC1 ZINC000112919983 1412241485 /nfs/dbraw/zinc/24/14/85/1412241485.db2.gz NDLDDUKWBZRVJJ-UHFFFAOYSA-N 0 0 395.528 3.101 20 30 GGEDRN C#CCN1CCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CC1 ZINC000112920089 1412241689 /nfs/dbraw/zinc/24/16/89/1412241689.db2.gz YUQRENLAYFFHOW-UHFFFAOYSA-N 0 0 387.892 3.045 20 30 GGEDRN C#CCN1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)CC1 ZINC000112920083 1412241695 /nfs/dbraw/zinc/24/16/95/1412241695.db2.gz FFLLXTGSERVZAR-UHFFFAOYSA-N 0 0 387.487 3.070 20 30 GGEDRN N#Cc1ccc(-n2nccc2NC(=O)CSc2ccccc2[N+](=O)[O-])cc1 ZINC000112950562 1412245654 /nfs/dbraw/zinc/24/56/54/1412245654.db2.gz PFBFWPDTNKEOHQ-UHFFFAOYSA-N 0 0 379.401 3.383 20 30 GGEDRN CS(=O)(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)c1ccc(C#N)cc1 ZINC000112968908 1412247908 /nfs/dbraw/zinc/24/79/08/1412247908.db2.gz PODSPTMOARTXBM-UHFFFAOYSA-N 0 0 388.836 3.228 20 30 GGEDRN N#Cc1ccc(OCCCNc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)cc1 ZINC000112975232 1412248909 /nfs/dbraw/zinc/24/89/09/1412248909.db2.gz PYUAVCUZZXELBT-IBGZPJMESA-N 0 0 393.487 3.284 20 30 GGEDRN C[C@@H](c1nc(-c2cccnc2)no1)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000112976838 1412249261 /nfs/dbraw/zinc/24/92/61/1412249261.db2.gz SPIPOZBBVXGEHI-AWEZNQCLSA-N 0 0 378.411 3.026 20 30 GGEDRN COC[C@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000112989525 1412251155 /nfs/dbraw/zinc/25/11/55/1412251155.db2.gz JXUJFKBCQHDXDH-KRWDZBQOSA-N 0 0 398.482 3.402 20 30 GGEDRN Cc1oc(NC(=O)CN2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c(C#N)c1C ZINC000112998412 1412253347 /nfs/dbraw/zinc/25/33/47/1412253347.db2.gz DRDWSYHDUOUPFU-STQMWFEESA-N 0 0 390.484 3.036 20 30 GGEDRN C[C@@H]1CN(CCC(=O)Nc2sccc2C#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000112997859 1412253559 /nfs/dbraw/zinc/25/35/59/1412253559.db2.gz UOPFTFHBIHVTBO-OKILXGFUSA-N 0 0 392.525 3.278 20 30 GGEDRN Cc1oc(NC(=O)CN2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)c(C#N)c1C ZINC000112998411 1412253604 /nfs/dbraw/zinc/25/36/04/1412253604.db2.gz DRDWSYHDUOUPFU-CHWSQXEVSA-N 0 0 390.484 3.036 20 30 GGEDRN Cc1c(N[C@H]2CCN(c3sccc3C#N)C2=O)cccc1N1CCOC1=O ZINC000177216275 1428636301 /nfs/dbraw/zinc/63/63/01/1428636301.db2.gz AIANJUMEGDLTGS-HNNXBMFYSA-N 0 0 382.445 3.102 20 30 GGEDRN COc1cc(C#N)ccc1OC(=O)c1cc(Br)cnc1N(C)C ZINC000113013677 1412255650 /nfs/dbraw/zinc/25/56/50/1412255650.db2.gz YPJDEQYLMCVDBP-UHFFFAOYSA-N 0 0 376.210 3.010 20 30 GGEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)COC[C@@H]2CCCO2)cc1 ZINC000113032063 1412256164 /nfs/dbraw/zinc/25/61/64/1412256164.db2.gz JUNUGVJEXOLGNY-NRFANRHFSA-N 0 0 382.435 3.422 20 30 GGEDRN N#CCc1ccc(OCc2ccccc2NC(=O)COC[C@@H]2CCCO2)cc1 ZINC000113033360 1412256687 /nfs/dbraw/zinc/25/66/87/1412256687.db2.gz FFQNVARIKUVDQY-FQEVSTJZSA-N 0 0 380.444 3.466 20 30 GGEDRN Cc1ccc(N2CCOC2=O)cc1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177216222 1428636690 /nfs/dbraw/zinc/63/66/90/1428636690.db2.gz MJVPDVVGPDCJQL-OAHLLOKOSA-N 0 0 382.445 3.102 20 30 GGEDRN N#Cc1cccc(OCc2ccoc2C(=O)NCCC(=O)Nc2ccccc2)c1 ZINC000113099747 1412262209 /nfs/dbraw/zinc/26/22/09/1412262209.db2.gz KJOFQGINSAYCNK-UHFFFAOYSA-N 0 0 389.411 3.489 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)NCCC(=O)Nc2ccccc2)cc1OC ZINC000113100584 1412262743 /nfs/dbraw/zinc/26/27/43/1412262743.db2.gz CDODHVFCJJNOTA-ZRDIBKRKSA-N 0 0 380.444 3.418 20 30 GGEDRN N#CCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC000113104554 1412263170 /nfs/dbraw/zinc/26/31/70/1412263170.db2.gz FEBOJQZFIMMEEI-UHFFFAOYSA-N 0 0 394.431 3.417 20 30 GGEDRN N#CCOc1cccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000113105718 1412263267 /nfs/dbraw/zinc/26/32/67/1412263267.db2.gz YIUHYYQSXLWOFH-UHFFFAOYSA-N 0 0 397.434 3.373 20 30 GGEDRN N#CCOc1cccc(CNC(=O)COc2ccccc2OCC(F)(F)F)c1 ZINC000113104709 1412263616 /nfs/dbraw/zinc/26/36/16/1412263616.db2.gz BAWCZSGRLMUTFZ-UHFFFAOYSA-N 0 0 394.349 3.225 20 30 GGEDRN CCCN(CC)C(=O)c1ccc(C(=O)NCc2cccc(OCC#N)c2)cc1 ZINC000113109099 1412263814 /nfs/dbraw/zinc/26/38/14/1412263814.db2.gz NMIBYQONBANCJV-UHFFFAOYSA-N 0 0 379.460 3.391 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)C2=Cc3ccccc3OC2)ccc1OC ZINC000113111029 1412263866 /nfs/dbraw/zinc/26/38/66/1412263866.db2.gz UQDWJIIVDZHKBK-GOSISDBHSA-N 0 0 378.428 3.468 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)Cc2noc3ccccc23)ccc1OC ZINC000113111516 1412264036 /nfs/dbraw/zinc/26/40/36/1412264036.db2.gz MFWGNRNIOGIVCX-OAHLLOKOSA-N 0 0 379.416 3.376 20 30 GGEDRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCc1cccc(OCC#N)c1 ZINC000113110213 1412264136 /nfs/dbraw/zinc/26/41/36/1412264136.db2.gz GQPKJXLZKFYRNO-UHFFFAOYSA-N 0 0 392.434 3.390 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)CCc2nc(C(C)C)no2)ccc1OC ZINC000113112359 1412264421 /nfs/dbraw/zinc/26/44/21/1412264421.db2.gz HNKXSVMOMRKXBT-HNNXBMFYSA-N 0 0 386.452 3.132 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(-n3ccnc3)cc2)ccc1OC ZINC000113112302 1412264502 /nfs/dbraw/zinc/26/45/02/1412264502.db2.gz VTRIPJVHMTUUIY-LJQANCHMSA-N 0 0 390.443 3.492 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2cncn2-c2ccccc2)ccc1OC ZINC000113113939 1412264667 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GGEDRN CN(Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000113175707 1412270454 /nfs/dbraw/zinc/27/04/54/1412270454.db2.gz ALISRKBNFURXOF-SFHVURJKSA-N 0 0 384.867 3.253 20 30 GGEDRN CN(Cc1ccccc1)C(=O)NCCC(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000113175709 1412270557 /nfs/dbraw/zinc/27/05/57/1412270557.db2.gz ALISRKBNFURXOF-GOSISDBHSA-N 0 0 384.867 3.253 20 30 GGEDRN N#C[C@@H](NC(=O)CCC(=O)N1CCc2sccc2C1)c1ccc(Cl)cc1 ZINC000113176054 1412270585 /nfs/dbraw/zinc/27/05/85/1412270585.db2.gz WKERRKAKXGPKTB-MRXNPFEDSA-N 0 0 387.892 3.447 20 30 GGEDRN N#C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)c1ccc(Cl)cc1 ZINC000113175782 1412270875 /nfs/dbraw/zinc/27/08/75/1412270875.db2.gz SUZARZPSTVSSED-MLGOLLRUSA-N 0 0 389.789 3.352 20 30 GGEDRN COc1ccc(CN2C[C@@H](C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000113178246 1412271214 /nfs/dbraw/zinc/27/12/14/1412271214.db2.gz DCARDUUPGXCEJN-LPHOPBHVSA-N 0 0 397.862 3.078 20 30 GGEDRN N#C[C@@H](NC(=O)COc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 ZINC000113177854 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Cc1cc(NC(=O)Nc2cccc(OCCCC#N)c2)ccc1-n1cnnn1 ZINC000113538729 1412313518 /nfs/dbraw/zinc/31/35/18/1412313518.db2.gz TVHOPFJOCLGTKW-UHFFFAOYSA-N 0 0 377.408 3.297 20 30 GGEDRN CCN(Cc1ccccc1NC(=O)NCc1cccc(OCC#N)c1)C(C)=O ZINC000113540438 1412313592 /nfs/dbraw/zinc/31/35/92/1412313592.db2.gz MMWHTRHEXCICES-UHFFFAOYSA-N 0 0 380.448 3.279 20 30 GGEDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCc2cccc(OCC#N)c2)cc1 ZINC000113552262 1412314704 /nfs/dbraw/zinc/31/47/04/1412314704.db2.gz FIIXCFTYQIRXEJ-OAHLLOKOSA-N 0 0 380.448 3.439 20 30 GGEDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)NCc2cccc(OCC#N)c2)cc1 ZINC000113552264 1412314879 /nfs/dbraw/zinc/31/48/79/1412314879.db2.gz FIIXCFTYQIRXEJ-HNNXBMFYSA-N 0 0 380.448 3.439 20 30 GGEDRN N#CCOc1cccc(CNC(=O)Nc2nnc(Cc3ccccc3F)s2)c1 ZINC000113570048 1412317385 /nfs/dbraw/zinc/31/73/85/1412317385.db2.gz PEICAPHSIRMGMB-UHFFFAOYSA-N 0 0 397.435 3.492 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)NCCCn2nc(C)cc2C)ccc1OC ZINC000113578332 1412318008 /nfs/dbraw/zinc/31/80/08/1412318008.db2.gz 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GGEDRN N#Cc1ccc(N2CC[C@@H](Nc3ccc(NC(=O)NC4CC4)cc3)C2=O)cc1 ZINC000114746582 1412516855 /nfs/dbraw/zinc/51/68/55/1412516855.db2.gz VXDQTGOXFZHAJP-LJQANCHMSA-N 0 0 375.432 3.060 20 30 GGEDRN COCCOc1ccc(N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1Cl ZINC000114749786 1412518820 /nfs/dbraw/zinc/51/88/20/1412518820.db2.gz RURYKDWLLQKUDR-GOSISDBHSA-N 0 0 385.851 3.454 20 30 GGEDRN Cc1cc(N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)ccc1C(=O)NC(C)C ZINC000114752350 1412519488 /nfs/dbraw/zinc/51/94/88/1412519488.db2.gz KJPBUMIFXPHUJH-HXUWFJFHSA-N 0 0 376.460 3.222 20 30 GGEDRN COCCn1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000114753974 1412520084 /nfs/dbraw/zinc/52/00/84/1412520084.db2.gz PDMPMKPMROYTIJ-ZDUSSCGKSA-N 0 0 387.509 3.171 20 30 GGEDRN C=C(Br)CNC(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000114787051 1412523783 /nfs/dbraw/zinc/52/37/83/1412523783.db2.gz ZQMAPMGZHWXXIG-UHFFFAOYSA-N 0 0 385.649 3.140 20 30 GGEDRN CC(C)N1CC[C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1=O ZINC000114811810 1412530964 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382.441 3.436 20 30 GGEDRN CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000114873680 1412543079 /nfs/dbraw/zinc/54/30/79/1412543079.db2.gz HMZZMGSQNZONIU-CYBMUJFWSA-N 0 0 389.433 3.247 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)c1 ZINC000114873912 1412543141 /nfs/dbraw/zinc/54/31/41/1412543141.db2.gz KZMAAIMDDGLKML-MRXNPFEDSA-N 0 0 397.500 3.246 20 30 GGEDRN CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(OCCOC)cc1 ZINC000114873609 1412543180 /nfs/dbraw/zinc/54/31/80/1412543180.db2.gz KPUCSGIUNMNFOZ-MRXNPFEDSA-N 0 0 388.489 3.355 20 30 GGEDRN CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000114873577 1412543186 /nfs/dbraw/zinc/54/31/86/1412543186.db2.gz XMJPKODLRKUSGE-HNNXBMFYSA-N 0 0 386.473 3.491 20 30 GGEDRN N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(-n4cnnn4)cc3)c2)c1 ZINC000115004339 1412564952 /nfs/dbraw/zinc/56/49/52/1412564952.db2.gz NOGGYYZTWXGBBN-UHFFFAOYSA-N 0 0 396.410 3.365 20 30 GGEDRN N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(-n4cncn4)nc3)c2)c1 ZINC000115016806 1412568963 /nfs/dbraw/zinc/56/89/63/1412568963.db2.gz RKGZHUGRTISHAG-UHFFFAOYSA-N 0 0 396.410 3.365 20 30 GGEDRN CCc1nc(COc2ccc(C(=O)N(C)Cc3ccc(C#N)cc3)cc2)no1 ZINC000115021436 1412569312 /nfs/dbraw/zinc/56/93/12/1412569312.db2.gz ITOBZHGDCLYFPV-UHFFFAOYSA-N 0 0 376.416 3.355 20 30 GGEDRN COc1ccc([C@@H]2[C@H](C(=O)N(C)Cc3cccc(C#N)c3)CCC(=O)N2C)cc1 ZINC000115021166 1412569524 /nfs/dbraw/zinc/56/95/24/1412569524.db2.gz QBOZYILBKOWJIF-IFMALSPDSA-N 0 0 391.471 3.135 20 30 GGEDRN CCCCNC(=O)[C@@H]1CC[C@H](C)N(CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177265222 1428661208 /nfs/dbraw/zinc/66/12/08/1428661208.db2.gz VPHJSCWDHUSLHV-XJKSGUPXSA-N 0 0 390.553 3.192 20 30 GGEDRN CC[C@H](C)NC(=O)CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115039196 1412575608 /nfs/dbraw/zinc/57/56/08/1412575608.db2.gz MABACWVNZNBSCQ-INIZCTEOSA-N 0 0 379.460 3.172 20 30 GGEDRN CCOC(=O)CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)C1CC1 ZINC000115042754 1412576540 /nfs/dbraw/zinc/57/65/40/1412576540.db2.gz 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CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000115762336 1412782331 /nfs/dbraw/zinc/78/23/31/1412782331.db2.gz YYLKUMXPEPPEOL-AWEZNQCLSA-N 0 0 391.435 3.204 20 30 GGEDRN C[C@@H](NC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000115762011 1412782707 /nfs/dbraw/zinc/78/27/07/1412782707.db2.gz ZSWYIPFZMCDFQX-OXQOHEQNSA-N 0 0 376.460 3.456 20 30 GGEDRN C[C@@H](NC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000115762016 1412782835 /nfs/dbraw/zinc/78/28/35/1412782835.db2.gz ZSWYIPFZMCDFQX-UZLBHIALSA-N 0 0 376.460 3.456 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2nnnn2-c2ccccc2)c1 ZINC000115766837 1412783774 /nfs/dbraw/zinc/78/37/74/1412783774.db2.gz SOLZCJKEIWRFKS-HNNXBMFYSA-N 0 0 378.436 3.500 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(-c3nccc(C)n3)cc2)c1 ZINC000115773079 1412785630 /nfs/dbraw/zinc/78/56/30/1412785630.db2.gz GDSNEEQTZSRVHE-UHFFFAOYSA-N 0 0 385.427 3.194 20 30 GGEDRN CN(C)C(=O)COc1ccc(NC(=O)NCc2cccc(C#N)c2)cc1Cl ZINC000115773623 1412786081 /nfs/dbraw/zinc/78/60/81/1412786081.db2.gz GTSNAKCLOLENRB-UHFFFAOYSA-N 0 0 386.839 3.000 20 30 GGEDRN C[C@@H](C#N)CN(C)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000115818439 1412797775 /nfs/dbraw/zinc/79/77/75/1412797775.db2.gz YUJGGUHGOKWTHL-INIZCTEOSA-N 0 0 375.476 3.258 20 30 GGEDRN C[C@H](C#N)CN(C)CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000115818429 1412797872 /nfs/dbraw/zinc/79/78/72/1412797872.db2.gz SKUAQTFKTDMLHQ-SJORKVTESA-N 0 0 378.476 3.208 20 30 GGEDRN C[C@@H](C#N)CN(C)CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000115818432 1412798181 /nfs/dbraw/zinc/79/81/81/1412798181.db2.gz SKUAQTFKTDMLHQ-IRXDYDNUSA-N 0 0 378.476 3.208 20 30 GGEDRN CN(C(=O)NCc1cccc(OCC#N)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000115828719 1412800407 /nfs/dbraw/zinc/80/04/07/1412800407.db2.gz JKRUGTSLMVTDRD-HXUWFJFHSA-N 0 0 378.476 3.399 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115854115 1412802832 /nfs/dbraw/zinc/80/28/32/1412802832.db2.gz QPLHWUYPYTVHLW-UHFFFAOYSA-N 0 0 380.492 3.291 20 30 GGEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1nnnn1-c1ccccc1 ZINC000115862069 1412803495 /nfs/dbraw/zinc/80/34/95/1412803495.db2.gz HLPAAWWPWWSSGH-MRXNPFEDSA-N 0 0 389.463 3.215 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000115877971 1412807183 /nfs/dbraw/zinc/80/71/83/1412807183.db2.gz SFQRXIFVEHPBAJ-IBGZPJMESA-N 0 0 390.487 3.211 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000177298714 1428677347 /nfs/dbraw/zinc/67/73/47/1428677347.db2.gz JUNPRWWKVLZUMB-ZUOKHONESA-N 0 0 395.434 3.474 20 30 GGEDRN COc1ccc([C@H](NCC(=O)N[C@@](C)(C#N)C2CC2)c2ccc(F)cc2)cc1 ZINC000115886685 1412810055 /nfs/dbraw/zinc/81/00/55/1412810055.db2.gz BIMKDLQNHLQKOC-YADHBBJMSA-N 0 0 381.451 3.322 20 30 GGEDRN C#CCOc1ccc(NC(=O)C(=O)N(Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000115887342 1412810543 /nfs/dbraw/zinc/81/05/43/1412810543.db2.gz FGUICPKPLVNLEX-UHFFFAOYSA-N 0 0 380.419 3.215 20 30 GGEDRN Cc1ccc(C[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)c2ccccn2)cc1 ZINC000115890501 1412810829 /nfs/dbraw/zinc/81/08/29/1412810829.db2.gz CYDFBKLQSHSANY-NRFANRHFSA-N 0 0 384.439 3.300 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(C)c2C)cc1 ZINC000115897014 1412812929 /nfs/dbraw/zinc/81/29/29/1412812929.db2.gz MTPBXWYLENKBAW-MRXNPFEDSA-N 0 0 379.460 3.035 20 30 GGEDRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)C[C@@H](C)C#N ZINC000115899870 1412813291 /nfs/dbraw/zinc/81/32/91/1412813291.db2.gz IQZUNIWOPXIRJH-NSHDSACASA-N 0 0 392.381 3.309 20 30 GGEDRN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000115904481 1412813659 /nfs/dbraw/zinc/81/36/59/1412813659.db2.gz SLCWQYRTMUSPAV-UTKZUKDTSA-N 0 0 378.428 3.437 20 30 GGEDRN N#C[C@@H](C(=O)C[C@@H]1CCc2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000115905422 1412813787 /nfs/dbraw/zinc/81/37/87/1412813787.db2.gz IUXXERIJNFNRNM-YJBOKZPZSA-N 0 0 376.412 3.225 20 30 GGEDRN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)C[C@H]1OCCc2ccccc21 ZINC000115904470 1412813817 /nfs/dbraw/zinc/81/38/17/1412813817.db2.gz SLCWQYRTMUSPAV-LAUBAEHRSA-N 0 0 378.428 3.437 20 30 GGEDRN N#C[C@@H](C(=O)C[C@H]1CCc2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000115905419 1412813833 /nfs/dbraw/zinc/81/38/33/1412813833.db2.gz IUXXERIJNFNRNM-QAPCUYQASA-N 0 0 376.412 3.225 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)Cc2c(C)nn(C(F)F)c2C)cc1 ZINC000115951211 1412817571 /nfs/dbraw/zinc/81/75/71/1412817571.db2.gz FTZLNSDNIYHBJE-UHFFFAOYSA-N 0 0 377.395 3.384 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3c3c(F)cccc3F)CC2)c(F)c1 ZINC000116011722 1412821718 /nfs/dbraw/zinc/82/17/18/1412821718.db2.gz UWSYKACISTZEOI-CABCVRRESA-N 0 0 385.389 3.428 20 30 GGEDRN C#CCN(C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000116048556 1412824818 /nfs/dbraw/zinc/82/48/18/1412824818.db2.gz DZNZIMZRSIMFLX-UHFFFAOYSA-N 0 0 385.552 3.439 20 30 GGEDRN CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000116053864 1412825434 /nfs/dbraw/zinc/82/54/34/1412825434.db2.gz BMSGMAFJLHIVKP-OALUTQOASA-N 0 0 385.508 3.307 20 30 GGEDRN CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000116053869 1412825465 /nfs/dbraw/zinc/82/54/65/1412825465.db2.gz BMSGMAFJLHIVKP-RBUKOAKNSA-N 0 0 385.508 3.307 20 30 GGEDRN CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000116090659 1412830606 /nfs/dbraw/zinc/83/06/06/1412830606.db2.gz ODFRGBLMKNTWJO-KRWDZBQOSA-N 0 0 391.537 3.167 20 30 GGEDRN CC(C)N(C(=O)CON=C(N)c1ccc(Oc2ccc(F)cc2)nc1)C(C)C ZINC000116104409 1412832826 /nfs/dbraw/zinc/83/28/26/1412832826.db2.gz CEQCIEBVFDOYJA-UHFFFAOYSA-N 0 0 388.443 3.295 20 30 GGEDRN Cc1ccc(C(=O)N2CCC[C@H](C(C)(C)C)CC2)cc1S(=O)(=O)NCC#N ZINC000116220748 1412844211 /nfs/dbraw/zinc/84/42/11/1412844211.db2.gz FFLOIQQCIHXHAS-KRWDZBQOSA-N 0 0 391.537 3.085 20 30 GGEDRN COCCCn1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)n1 ZINC000116255189 1412846695 /nfs/dbraw/zinc/84/66/95/1412846695.db2.gz XVFIWTFECIBEAP-UHFFFAOYSA-N 0 0 377.448 3.451 20 30 GGEDRN NC(=NOCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCCC2)nc1 ZINC000116267625 1412846999 /nfs/dbraw/zinc/84/69/99/1412846999.db2.gz FHHYTPSRHJLWAF-UHFFFAOYSA-N 0 0 389.843 3.471 20 30 GGEDRN NC(=NOCc1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1N1CCCCC1 ZINC000116267615 1412847259 /nfs/dbraw/zinc/84/72/59/1412847259.db2.gz ZMUINJBDEYKZGD-UHFFFAOYSA-N 0 0 389.843 3.471 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)c2cc(-c3cccc(Cl)c3)no2)c1 ZINC000116320014 1412849336 /nfs/dbraw/zinc/84/93/36/1412849336.db2.gz PLTRCYXSKQUSTM-UHFFFAOYSA-N 0 0 379.803 3.345 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCc3ccccc3CC2)c(C(F)(F)F)c1 ZINC000116359751 1412852482 /nfs/dbraw/zinc/85/24/82/1412852482.db2.gz XHSUEDBKLYXFKL-UHFFFAOYSA-N 0 0 380.391 3.367 20 30 GGEDRN CC(C)CN(C)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 ZINC000116372724 1412853379 /nfs/dbraw/zinc/85/33/79/1412853379.db2.gz CDLNBKZTKGDYAX-UHFFFAOYSA-N 0 0 377.492 3.008 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@@H]3c3c(F)cccc3F)CC2)nc1 ZINC000116428477 1412858896 /nfs/dbraw/zinc/85/88/96/1412858896.db2.gz AMVHKILGCFBXCK-MAUKXSAKSA-N 0 0 397.429 3.056 20 30 GGEDRN CC(C)(C)c1ccc([C@@H](O)CNC(=O)NCc2cccc(OCC#N)c2)cc1 ZINC000116432637 1412859209 /nfs/dbraw/zinc/85/92/09/1412859209.db2.gz ASIJMIGSFHMVLH-FQEVSTJZSA-N 0 0 381.476 3.419 20 30 GGEDRN N#Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000116450974 1412861990 /nfs/dbraw/zinc/86/19/90/1412861990.db2.gz QRSFTYWMUGHBNC-UHFFFAOYSA-N 0 0 397.500 3.304 20 30 GGEDRN C[C@@H]1CN(Cc2ccccc2CNC(=O)Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000116453171 1412862340 /nfs/dbraw/zinc/86/23/40/1412862340.db2.gz INIHLSNUCMJQDI-QZTJIDSGSA-N 0 0 377.488 3.026 20 30 GGEDRN CC(C)Oc1ccc([C@H](O)CNC(=O)CSCc2ccc(C#N)cc2)cc1 ZINC000116462892 1412864196 /nfs/dbraw/zinc/86/41/96/1412864196.db2.gz SQAMBTSLADQVIX-HXUWFJFHSA-N 0 0 384.501 3.428 20 30 GGEDRN CCC[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C ZINC000116488165 1412867349 /nfs/dbraw/zinc/86/73/49/1412867349.db2.gz FZUIATDBTBUIQD-INIZCTEOSA-N 0 0 389.452 3.357 20 30 GGEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC2(C)CCCCC2)cc1 ZINC000116488285 1412867381 /nfs/dbraw/zinc/86/73/81/1412867381.db2.gz RRGDAMSOBUBAAE-OQKWZONESA-N 0 0 392.525 3.344 20 30 GGEDRN CCC[C@@H](C#N)NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000116488111 1412867424 /nfs/dbraw/zinc/86/74/24/1412867424.db2.gz LOTMUQKNXWHXKS-INIZCTEOSA-N 0 0 381.398 3.366 20 30 GGEDRN COc1cc([C@@H](C#N)NC(=O)c2ccc(Cl)cc2F)cc(OC)c1OC ZINC000116488310 1412867474 /nfs/dbraw/zinc/86/74/74/1412867474.db2.gz UUWZJRQTVPLJMD-CQSZACIVSA-N 0 0 378.787 3.500 20 30 GGEDRN COc1cccc(NC(=O)COc2ccc(C(=O)N(CCC#N)C(C)C)cc2)c1 ZINC000116487901 1412867527 /nfs/dbraw/zinc/86/75/27/1412867527.db2.gz QFSUDDPJSUHZIQ-UHFFFAOYSA-N 0 0 395.459 3.477 20 30 GGEDRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000116498763 1412868933 /nfs/dbraw/zinc/86/89/33/1412868933.db2.gz ONNAFJBCUUHPCY-DLBZAZTESA-N 0 0 392.544 3.097 20 30 GGEDRN CC(=O)Nc1cc(F)c(F)cc1NC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000116527460 1412872440 /nfs/dbraw/zinc/87/24/40/1412872440.db2.gz ZZGHQXCDCRMMIZ-UHFFFAOYSA-N 0 0 389.406 3.222 20 30 GGEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccn(C)c(=O)c2)cc1 ZINC000116552937 1412876185 /nfs/dbraw/zinc/87/61/85/1412876185.db2.gz ASFAHVKEUKUKFD-UHFFFAOYSA-N 0 0 375.384 3.310 20 30 GGEDRN C=CC1CCN(C(=O)C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000116573917 1412880123 /nfs/dbraw/zinc/88/01/23/1412880123.db2.gz CKFRIOFLLYAGGS-UHFFFAOYSA-N 0 0 377.444 3.302 20 30 GGEDRN CC(C)(C)c1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 ZINC000116581478 1412881645 /nfs/dbraw/zinc/88/16/45/1412881645.db2.gz JUINKQGDUJPQJY-GOSISDBHSA-N 0 0 399.878 3.297 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000116584339 1412882736 /nfs/dbraw/zinc/88/27/36/1412882736.db2.gz VJZNTSPWBQBCIP-QAPCUYQASA-N 0 0 399.397 3.258 20 30 GGEDRN C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1cccc(F)c1 ZINC000116593190 1412884959 /nfs/dbraw/zinc/88/49/59/1412884959.db2.gz NYZBPGJAJVSGBL-IFXJQAMLSA-N 0 0 395.434 3.369 20 30 GGEDRN N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c(F)c1 ZINC000116599715 1412885739 /nfs/dbraw/zinc/88/57/39/1412885739.db2.gz DFBBDIODTMVION-UHFFFAOYSA-N 0 0 397.834 3.001 20 30 GGEDRN COc1ccc(-c2nnc(CN3CCN(c4ccc(C#N)cc4F)CC3)o2)cc1 ZINC000116603614 1412886236 /nfs/dbraw/zinc/88/62/36/1412886236.db2.gz ZLONUZLXYLDWHI-UHFFFAOYSA-N 0 0 393.422 3.078 20 30 GGEDRN COc1cc(Cn2cccc([N+](=O)[O-])c2=O)ccc1OCc1cccc(C#N)c1 ZINC000116612246 1412886590 /nfs/dbraw/zinc/88/65/90/1412886590.db2.gz CARHIODNMVRZAU-UHFFFAOYSA-N 0 0 391.383 3.264 20 30 GGEDRN COc1cc(Cn2nnnc2C(C)(C)C)ccc1OCc1cccc(C#N)c1 ZINC000116612004 1412886646 /nfs/dbraw/zinc/88/66/46/1412886646.db2.gz PUMUTHGQBNMBRN-UHFFFAOYSA-N 0 0 377.448 3.478 20 30 GGEDRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 ZINC000116622670 1412888057 /nfs/dbraw/zinc/88/80/57/1412888057.db2.gz GWNGFZFIMMHPPK-GFCCVEGCSA-N 0 0 392.864 3.269 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(C)ccc2N2CCCC2)c1 ZINC000116631105 1412889008 /nfs/dbraw/zinc/88/90/08/1412889008.db2.gz DGPRNTUIHZNEHX-UHFFFAOYSA-N 0 0 375.472 3.287 20 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BCIYMFAACNYTNA-QKKBWIMNSA-N 0 0 389.446 3.406 20 30 GGEDRN COc1ccc(CSCC(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000116811807 1412928442 /nfs/dbraw/zinc/92/84/42/1412928442.db2.gz QJKCTDREMSSDPX-SCLBCKFNSA-N 0 0 377.466 3.425 20 30 GGEDRN CC(C)COc1ccc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cn1 ZINC000116817742 1412930386 /nfs/dbraw/zinc/93/03/86/1412930386.db2.gz VLMWBZFSUWLHAE-UHFFFAOYSA-N 0 0 376.420 3.008 20 30 GGEDRN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCc2ccc(C#N)cc2)cc1 ZINC000116820451 1412931249 /nfs/dbraw/zinc/93/12/49/1412931249.db2.gz LGSWKCNZXDCFBX-UHFFFAOYSA-N 0 0 394.434 3.496 20 30 GGEDRN COCCOC1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000116823643 1412932036 /nfs/dbraw/zinc/93/20/36/1412932036.db2.gz YOEOGIBDONNVPX-UHFFFAOYSA-N 0 0 394.471 3.405 20 30 GGEDRN COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCc2cccc(C#N)c2)cc1 ZINC000116819511 1412932109 /nfs/dbraw/zinc/93/21/09/1412932109.db2.gz ACEBGEVNLZXXJN-UHFFFAOYSA-N 0 0 393.472 3.194 20 30 GGEDRN COCCOC1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000116825861 1412933163 /nfs/dbraw/zinc/93/31/63/1412933163.db2.gz BKPHYLLCZVEFNH-UHFFFAOYSA-N 0 0 394.471 3.405 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)c1C#N ZINC000177321359 1428688317 /nfs/dbraw/zinc/68/83/17/1428688317.db2.gz UXRQMWVSRJVLPQ-LJQANCHMSA-N 0 0 391.471 3.056 20 30 GGEDRN C=CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1 ZINC000116851100 1412942239 /nfs/dbraw/zinc/94/22/39/1412942239.db2.gz RRNIMEYVVOVIJU-OAHLLOKOSA-N 0 0 388.489 3.215 20 30 GGEDRN C=CC[C@@H](C)NC(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1 ZINC000116850542 1412942707 /nfs/dbraw/zinc/94/27/07/1412942707.db2.gz IMPIRTAVAAJBFY-CQSZACIVSA-N 0 0 380.448 3.191 20 30 GGEDRN C=CC[C@H](C)NC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000116861487 1412943242 /nfs/dbraw/zinc/94/32/42/1412943242.db2.gz JEIAYYDGYXVSEA-AWEZNQCLSA-N 0 0 390.530 3.190 20 30 GGEDRN C=CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000116860295 1412943309 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GGEDRN COCCOC1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000116884161 1412949448 /nfs/dbraw/zinc/94/94/48/1412949448.db2.gz BBZZJHQNAVXVJL-UHFFFAOYSA-N 0 0 393.915 3.023 20 30 GGEDRN Cc1nc(SCC(=O)Nc2ccccc2-n2cncn2)c(C#N)c(C)c1C ZINC000116906857 1412953644 /nfs/dbraw/zinc/95/36/44/1412953644.db2.gz VIZXHNCXXBOSDC-UHFFFAOYSA-N 0 0 378.461 3.190 20 30 GGEDRN N#Cc1ccc(CNC(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)cc1 ZINC000116942324 1412960587 /nfs/dbraw/zinc/96/05/87/1412960587.db2.gz BYXHEEQCPJUCLW-MRXNPFEDSA-N 0 0 386.402 3.238 20 30 GGEDRN COc1ccc(-c2noc(CCCC(=O)NCc3ccc(C#N)cc3)n2)cc1 ZINC000116958907 1412965994 /nfs/dbraw/zinc/96/59/94/1412965994.db2.gz SYKMZAIEDDBZSK-UHFFFAOYSA-N 0 0 376.416 3.256 20 30 GGEDRN N#Cc1ccc(C(=O)NCC(=O)N[C@@H](Cc2ccccc2)c2cccs2)cc1 ZINC000116981500 1412970929 /nfs/dbraw/zinc/97/09/29/1412970929.db2.gz UDZLPDFOMFRWEY-IBGZPJMESA-N 0 0 389.480 3.450 20 30 GGEDRN COc1cc(C[S@@](=O)CCn2cccn2)ccc1OCc1cccc(C#N)c1 ZINC000116993590 1412974822 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20 30 GGEDRN C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(COCCOc2ccccc2)c1 ZINC000117076706 1412994854 /nfs/dbraw/zinc/99/48/54/1412994854.db2.gz NWCUSMXFJHKSBI-QGZVFWFLSA-N 0 0 382.460 3.302 20 30 GGEDRN C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC000117077337 1412995044 /nfs/dbraw/zinc/99/50/44/1412995044.db2.gz LAOVXSVLOXSMBE-NSHDSACASA-N 0 0 376.350 3.123 20 30 GGEDRN C=CCNc1nnc(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 ZINC000117107975 1413000595 /nfs/dbraw/zinc/00/05/95/1413000595.db2.gz JHGYQQGYWOAVKI-UHFFFAOYSA-N 0 0 393.450 3.135 20 30 GGEDRN C[C@H](Sc1n[nH]c(-c2ccccn2)n1)C(=O)N(CCC#N)c1ccccc1 ZINC000117113802 1413001073 /nfs/dbraw/zinc/00/10/73/1413001073.db2.gz LJSVNWFXRDIYDJ-AWEZNQCLSA-N 0 0 378.461 3.294 20 30 GGEDRN CCO[C@@H](C)c1nc(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cs1 ZINC000117147907 1413006350 /nfs/dbraw/zinc/00/63/50/1413006350.db2.gz SIIGCRLUDIHUEO-QFBILLFUSA-N 0 0 398.532 3.020 20 30 GGEDRN CC(C)(C#N)C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000117152687 1413006960 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ZINC000118604101 1413195410 /nfs/dbraw/zinc/19/54/10/1413195410.db2.gz CBOONBFRANBIFN-AUSIDOKSSA-N 0 0 392.455 3.262 20 30 GGEDRN Cc1cc(C(F)(F)F)c(C#N)c(SCCN2C(=O)NC3(CCCC3)C2=O)n1 ZINC000118610908 1413197650 /nfs/dbraw/zinc/19/76/50/1413197650.db2.gz LQXNJUFBJSBQBE-UHFFFAOYSA-N 0 0 398.410 3.237 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000118625968 1413199430 /nfs/dbraw/zinc/19/94/30/1413199430.db2.gz XFVQIYFTBIPTBT-UHFFFAOYSA-N 0 0 377.448 3.365 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3nn(C(C)C)cc3c2)cc1 ZINC000118667822 1413203260 /nfs/dbraw/zinc/20/32/60/1413203260.db2.gz BFCCOWHZOJCJFB-UHFFFAOYSA-N 0 0 398.488 3.334 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cc(C2CCCC2)[nH]n1 ZINC000118703285 1413208875 /nfs/dbraw/zinc/20/88/75/1413208875.db2.gz YQECKRLNPKGVCT-UHFFFAOYSA-N 0 0 377.452 3.170 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)c1nc2ccccc2n1C ZINC000118736453 1413213425 /nfs/dbraw/zinc/21/34/25/1413213425.db2.gz FHBVAHIYTZFUNB-OAHLLOKOSA-N 0 0 392.459 3.490 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[S@](=O)Cc1ccccc1 ZINC000118810923 1413228126 /nfs/dbraw/zinc/22/81/26/1413228126.db2.gz YOCJQQOVNUIWOS-HHHXNRCGSA-N 0 0 385.489 3.416 20 30 GGEDRN CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000118819555 1413232911 /nfs/dbraw/zinc/23/29/11/1413232911.db2.gz PLLBBUJTHYYGDZ-LJQANCHMSA-N 0 0 378.432 3.339 20 30 GGEDRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)NCc1ccc(C#N)cc1 ZINC000177371791 1428708039 /nfs/dbraw/zinc/70/80/39/1428708039.db2.gz RMFOGFFNLDYGGT-UHFFFAOYSA-N 0 0 386.839 3.048 20 30 GGEDRN N#CCCn1ccc(NC(=O)NCc2cccc(OCc3ccccn3)c2)n1 ZINC000118893714 1413262501 /nfs/dbraw/zinc/26/25/01/1413262501.db2.gz JCWCKJDDABJPIA-UHFFFAOYSA-N 0 0 376.420 3.092 20 30 GGEDRN C#CCCCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N\c1cc(C)ccc1F ZINC000177385793 1428713752 /nfs/dbraw/zinc/71/37/52/1428713752.db2.gz XCGCYMBZNPISFV-BWORXHKJSA-N 0 0 375.469 3.005 20 30 GGEDRN CCC(CC)c1cc(CNC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)on1 ZINC000118951203 1413271140 /nfs/dbraw/zinc/27/11/40/1413271140.db2.gz QIZYIGPGVAHZJG-UHFFFAOYSA-N 0 0 398.463 3.492 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC2(CC(C)C)CCCC2)cc1 ZINC000118960727 1413275683 /nfs/dbraw/zinc/27/56/83/1413275683.db2.gz PHHZXELBOVPGER-UHFFFAOYSA-N 0 0 385.508 3.264 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000118978924 1413287774 /nfs/dbraw/zinc/28/77/74/1413287774.db2.gz WILFJAJSAIDMCZ-MRXNPFEDSA-N 0 0 385.272 3.018 20 30 GGEDRN C=CCn1c(=O)c2c(nc1SCC1(CO)COC1)sc1c2CCCCC1 ZINC000118996741 1413297347 /nfs/dbraw/zinc/29/73/47/1413297347.db2.gz AZPWCZKOVQDAMR-UHFFFAOYSA-N 0 0 392.546 3.014 20 30 GGEDRN CCc1onc(C)c1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000119009054 1413302318 /nfs/dbraw/zinc/30/23/18/1413302318.db2.gz TYJONMALROYSLA-UHFFFAOYSA-N 0 0 396.407 3.019 20 30 GGEDRN C=CCOc1ccccc1CNC(=O)Nc1ccc(N2CCOCC2)nc1C ZINC000119013965 1413304099 /nfs/dbraw/zinc/30/40/99/1413304099.db2.gz GQXDTACIHQQNMF-UHFFFAOYSA-N 0 0 382.464 3.113 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000177394220 1428716681 /nfs/dbraw/zinc/71/66/81/1428716681.db2.gz HGPCBHBDGBGXOV-QGZVFWFLSA-N 0 0 385.512 3.417 20 30 GGEDRN COC(=O)[C@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccc(C#N)c1 ZINC000119041212 1413313632 /nfs/dbraw/zinc/31/36/32/1413313632.db2.gz UXQKVSZTFSTFNT-DNVCBOLYSA-N 0 0 387.842 3.433 20 30 GGEDRN COC(=O)[C@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccc(C#N)c1 ZINC000119041453 1413313668 /nfs/dbraw/zinc/31/36/68/1413313668.db2.gz UXQKVSZTFSTFNT-HNAYVOBHSA-N 0 0 387.842 3.433 20 30 GGEDRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)NCc1cccc(C#N)c1 ZINC000177394339 1428717268 /nfs/dbraw/zinc/71/72/68/1428717268.db2.gz JDVJQBNCSVXBPU-UHFFFAOYSA-N 0 0 386.839 3.048 20 30 GGEDRN CCOC(=O)c1nnc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)s1 ZINC000119047534 1413315769 /nfs/dbraw/zinc/31/57/69/1413315769.db2.gz RPPMQLWXUYWLKL-UHFFFAOYSA-N 0 0 395.444 3.246 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000119055719 1413318977 /nfs/dbraw/zinc/31/89/77/1413318977.db2.gz JXCWVFIVXPVWIK-KXBFYZLASA-N 0 0 379.460 3.158 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000119055876 1413319242 /nfs/dbraw/zinc/31/92/42/1413319242.db2.gz JXCWVFIVXPVWIK-HNAYVOBHSA-N 0 0 379.460 3.158 20 30 GGEDRN C=C[C@@H](CC(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O)c1ccccc1 ZINC000119081024 1413328792 /nfs/dbraw/zinc/32/87/92/1413328792.db2.gz UEMBNSJZYDCZSW-WMLDXEAASA-N 0 0 398.484 3.116 20 30 GGEDRN CC(C)(C)[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccc(F)cc1F ZINC000119086267 1413330832 /nfs/dbraw/zinc/33/08/32/1413330832.db2.gz VVICZTKBBCLECE-LYHOESIGSA-N 0 0 391.418 3.085 20 30 GGEDRN CC(C)(C)[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccc(F)cc1F ZINC000119086371 1413331036 /nfs/dbraw/zinc/33/10/36/1413331036.db2.gz VVICZTKBBCLECE-VZCCSQPZSA-N 0 0 391.418 3.085 20 30 GGEDRN C[C@](NC(=O)CCc1ccc(C#N)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177399015 1428718825 /nfs/dbraw/zinc/71/88/25/1428718825.db2.gz HZODETCBGHPAQO-LJQANCHMSA-N 0 0 389.377 3.027 20 30 GGEDRN COc1cccc(Cn2ccc3ccc(NC(=O)N4CCO[C@@H](C#N)C4)cc32)c1 ZINC000119117047 1413342973 /nfs/dbraw/zinc/34/29/73/1413342973.db2.gz LTKAIGBTHCOQPX-FQEVSTJZSA-N 0 0 390.443 3.454 20 30 GGEDRN COCCC1(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCCC1 ZINC000119117405 1413343929 /nfs/dbraw/zinc/34/39/29/1413343929.db2.gz DXHDEAGYBLOEMN-HXUWFJFHSA-N 0 0 384.524 3.003 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000119129954 1413349103 /nfs/dbraw/zinc/34/91/03/1413349103.db2.gz RBWZETAPKGDXFG-HNNXBMFYSA-N 0 0 398.470 3.343 20 30 GGEDRN Cc1ccc(C(=O)O[C@H](C#N)C(C)C)cc1S(=O)(=O)NCc1ccccc1 ZINC000119134443 1413350600 /nfs/dbraw/zinc/35/06/00/1413350600.db2.gz KFJHXKSODOHJHF-GOSISDBHSA-N 0 0 386.473 3.179 20 30 GGEDRN CCCN(C(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000119135781 1413351168 /nfs/dbraw/zinc/35/11/68/1413351168.db2.gz ARKDDEOUVCWOSC-IAGOWNOFSA-N 0 0 375.444 3.078 20 30 GGEDRN CCCN(C(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H]1C[C@H](OCC)C1(C)C ZINC000119135672 1413351278 /nfs/dbraw/zinc/35/12/78/1413351278.db2.gz ARKDDEOUVCWOSC-IRXDYDNUSA-N 0 0 375.444 3.078 20 30 GGEDRN N#CCOc1ccc(CC(=O)OCCNc2ccc(-c3ccccc3)nn2)cc1 ZINC000119141079 1413353540 /nfs/dbraw/zinc/35/35/40/1413353540.db2.gz MUUKIURTGXPSEE-UHFFFAOYSA-N 0 0 388.427 3.244 20 30 GGEDRN COc1cc(C#N)ccc1OCCSc1nnnn1-c1ccc(C)cc1C ZINC000119145361 1413354486 /nfs/dbraw/zinc/35/44/86/1413354486.db2.gz ZIAVDJCORDJRPL-UHFFFAOYSA-N 0 0 381.461 3.331 20 30 GGEDRN CCCN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000119147822 1413355781 /nfs/dbraw/zinc/35/57/81/1413355781.db2.gz VHDMOOZFLACYGY-SJORKVTESA-N 0 0 375.444 3.078 20 30 GGEDRN CCn1c(SCCOc2ccc(C#N)cc2OC)nnc1-c1ccncc1 ZINC000119150727 1413355938 /nfs/dbraw/zinc/35/59/38/1413355938.db2.gz QIJBBYYQUHGJNA-UHFFFAOYSA-N 0 0 381.461 3.411 20 30 GGEDRN Cc1ccc(C[C@H](C)NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)s1 ZINC000119150854 1413356564 /nfs/dbraw/zinc/35/65/64/1413356564.db2.gz XFZTZPURUUEURC-ZDUSSCGKSA-N 0 0 385.489 3.401 20 30 GGEDRN COc1cc(C#N)ccc1OCCSc1nnnn1-c1ccc(Cl)cc1 ZINC000119165819 1413362032 /nfs/dbraw/zinc/36/20/32/1413362032.db2.gz GIEVWGYMKVGGGW-UHFFFAOYSA-N 0 0 387.852 3.367 20 30 GGEDRN CC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC#N)c1cc(F)ccc1F ZINC000119172660 1413364052 /nfs/dbraw/zinc/36/40/52/1413364052.db2.gz VKOKMARRIZSGFK-OAHLLOKOSA-N 0 0 391.349 3.212 20 30 GGEDRN C=CCN(CC=C)C(=O)CSc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000177404358 1428721278 /nfs/dbraw/zinc/72/12/78/1428721278.db2.gz YEDORAXISYYPNP-UHFFFAOYSA-N 0 0 379.425 3.273 20 30 GGEDRN COC(=O)[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C(C)C ZINC000119188066 1413370191 /nfs/dbraw/zinc/37/01/91/1413370191.db2.gz DNVORDGGVKOXCP-LJQANCHMSA-N 0 0 388.512 3.208 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)cc1Cl ZINC000119192584 1413371438 /nfs/dbraw/zinc/37/14/38/1413371438.db2.gz MHIKGNWSGARWJD-IBGZPJMESA-N 0 0 390.892 3.173 20 30 GGEDRN N#C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccccc1F ZINC000119195121 1413371976 /nfs/dbraw/zinc/37/19/76/1413371976.db2.gz YMYOZQCLTZYBMT-PIGZYNQJSA-N 0 0 389.789 3.352 20 30 GGEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCC(=O)N1CCCCC1 ZINC000119201756 1413373553 /nfs/dbraw/zinc/37/35/53/1413373553.db2.gz IHBHMSAKYGZARP-UHFFFAOYSA-N 0 0 384.398 3.403 20 30 GGEDRN C[C@H](C(=O)Nc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1)n1cncn1 ZINC000119200643 1413373797 /nfs/dbraw/zinc/37/37/97/1413373797.db2.gz KAJLAPIGFWDQGB-JKSUJKDBSA-N 0 0 390.447 3.381 20 30 GGEDRN C=CCn1c(COc2ccccc2F)nnc1S[C@H](C(=O)OC)C(C)C ZINC000119204180 1413374793 /nfs/dbraw/zinc/37/47/93/1413374793.db2.gz WFYTXRJEFSMTKM-INIZCTEOSA-N 0 0 379.457 3.472 20 30 GGEDRN COc1ccc(F)cc1CN1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000119208334 1413375973 /nfs/dbraw/zinc/37/59/73/1413375973.db2.gz ANUFFIYLGQTGEF-QGZVFWFLSA-N 0 0 383.467 3.443 20 30 GGEDRN C#CCCOc1ccc(CNc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)cc1 ZINC000119208599 1413375983 /nfs/dbraw/zinc/37/59/83/1413375983.db2.gz CJHYQEARQBWZIK-QGZVFWFLSA-N 0 0 389.459 3.492 20 30 GGEDRN O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000119222456 1413380386 /nfs/dbraw/zinc/38/03/86/1413380386.db2.gz PZEAYHQERXXJMZ-VXKWHMMOSA-N 0 0 376.456 3.498 20 30 GGEDRN Cc1cccc(NC(=O)COc2ccc(CCNC(=O)C3(C#N)CCC3)cc2)c1 ZINC000119228640 1413382017 /nfs/dbraw/zinc/38/20/17/1413382017.db2.gz MZFBDTMKTAFSNQ-UHFFFAOYSA-N 0 0 391.471 3.365 20 30 GGEDRN N#Cc1cc(NC(=O)c2cc(F)cc3cccnc32)ccc1N1CCC(O)CC1 ZINC000119241722 1413386770 /nfs/dbraw/zinc/38/67/70/1413386770.db2.gz FSLCTNDFZLWECH-UHFFFAOYSA-N 0 0 390.418 3.459 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(O)c1 ZINC000177409017 1428723329 /nfs/dbraw/zinc/72/33/29/1428723329.db2.gz HGUMXCHJPLKVCA-JTQLQIEISA-N 0 0 377.322 3.099 20 30 GGEDRN C=CCOc1ccc(C(=O)N2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000119263047 1413393229 /nfs/dbraw/zinc/39/32/29/1413393229.db2.gz HRONBKGNAZEQLM-UHFFFAOYSA-N 0 0 380.473 3.219 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)N(C)c2c(C)noc2C)nnc1-c1ccco1 ZINC000119273325 1413396392 /nfs/dbraw/zinc/39/63/92/1413396392.db2.gz ZPHHCFXUEKEGRC-UHFFFAOYSA-N 0 0 387.465 3.474 20 30 GGEDRN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1=O ZINC000119276726 1413397183 /nfs/dbraw/zinc/39/71/83/1413397183.db2.gz SNGGPOBUINRGAF-XCLFUZPHSA-N 0 0 391.516 3.222 20 30 GGEDRN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1=O ZINC000119276579 1413397227 /nfs/dbraw/zinc/39/72/27/1413397227.db2.gz SNGGPOBUINRGAF-ZUOKHONESA-N 0 0 391.516 3.222 20 30 GGEDRN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC[C@@H]1c1ccccc1 ZINC000119285605 1413399657 /nfs/dbraw/zinc/39/96/57/1413399657.db2.gz GMGOPPWNOLDRDB-QAPCUYQASA-N 0 0 395.434 3.319 20 30 GGEDRN Cc1cnc([C@@H](C)NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)s1 ZINC000119288370 1413400183 /nfs/dbraw/zinc/40/01/83/1413400183.db2.gz VLTVMPUVAYLMCB-LLVKDONJSA-N 0 0 397.485 3.263 20 30 GGEDRN C[C@@H](CO[C@H]1CCOC1)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000177412844 1428725571 /nfs/dbraw/zinc/72/55/71/1428725571.db2.gz XSVFJAKZXXFAOE-JXFKEZNVSA-N 0 0 380.444 3.061 20 30 GGEDRN CSc1nc(C2CC2)cc(C(=O)Nc2cccc(-n3ccnn3)c2)c1C#N ZINC000119321641 1413411687 /nfs/dbraw/zinc/41/16/87/1413411687.db2.gz MRTGAGODPPNFKX-UHFFFAOYSA-N 0 0 376.445 3.386 20 30 GGEDRN Cc1ccc(C(C)(C)CN(C)C(=O)C(=O)Nc2ccc(F)cc2OCC#N)cc1 ZINC000119326390 1413412890 /nfs/dbraw/zinc/41/28/90/1413412890.db2.gz AQDGFMARUVQCLN-UHFFFAOYSA-N 0 0 397.450 3.411 20 30 GGEDRN Cc1cc(C)cc(C[C@H](C)NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)c1 ZINC000119326230 1413413121 /nfs/dbraw/zinc/41/31/21/1413413121.db2.gz NMBBOEYQXPJOTQ-HNNXBMFYSA-N 0 0 383.423 3.031 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)C2=Cc3cc(F)ccc3OC2)CC1 ZINC000119328107 1413413454 /nfs/dbraw/zinc/41/34/54/1413413454.db2.gz ZYFQIJRHGKLTJL-HXUWFJFHSA-N 0 0 377.419 3.011 20 30 GGEDRN CCCCN1CCc2ccc(NC(=O)C(=O)NCc3cc(C#N)ccc3F)cc21 ZINC000119335349 1413415850 /nfs/dbraw/zinc/41/58/50/1413415850.db2.gz QWIUALBSUGUGNA-UHFFFAOYSA-N 0 0 394.450 3.115 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)NCc2cccc(OCC(F)(F)F)c2)c1 ZINC000119341564 1413417701 /nfs/dbraw/zinc/41/77/01/1413417701.db2.gz WMBQCHOHMLJOPZ-UHFFFAOYSA-N 0 0 384.379 3.119 20 30 GGEDRN COc1ccc(CNC(=O)[C@@H](C#N)C(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000119345694 1413418413 /nfs/dbraw/zinc/41/84/13/1413418413.db2.gz DVNKIADPPCOIJV-KRWDZBQOSA-N 0 0 386.835 3.061 20 30 GGEDRN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000119348384 1413419512 /nfs/dbraw/zinc/41/95/12/1413419512.db2.gz WONCDBUIVPKYGK-SCLBCKFNSA-N 0 0 399.397 3.415 20 30 GGEDRN COc1ccc(CNC(=O)[C@@H](C#N)C(=O)CSCc2cccc(C)c2)cc1 ZINC000119349653 1413420474 /nfs/dbraw/zinc/42/04/74/1413420474.db2.gz KAOCRGSWEAYCBW-IBGZPJMESA-N 0 0 382.485 3.262 20 30 GGEDRN COc1ccc(CNC(=O)[C@H](C#N)C(=O)CSc2ccc(F)c(F)c2)cc1 ZINC000119355224 1413422292 /nfs/dbraw/zinc/42/22/92/1413422292.db2.gz CIOQSQJRSSCBKQ-OAHLLOKOSA-N 0 0 390.411 3.091 20 30 GGEDRN COc1ccc(CNC(=O)[C@@H](C#N)C(=O)Cc2ccc(CC(C)C)cc2)cc1 ZINC000119355479 1413422315 /nfs/dbraw/zinc/42/23/15/1413422315.db2.gz QYJJVBVHPGSPHK-NRFANRHFSA-N 0 0 378.472 3.461 20 30 GGEDRN CCN(CC)c1nc2sc(C(=O)OC3CCN(CC#N)CC3)cc2s1 ZINC000119359178 1413423070 /nfs/dbraw/zinc/42/30/70/1413423070.db2.gz WJWQJQNAZJRYFQ-UHFFFAOYSA-N 0 0 378.523 3.349 20 30 GGEDRN COc1ccc(CNC(=O)[C@H](C#N)C(=O)CCCOc2ccc(F)cc2)cc1 ZINC000119363019 1413424156 /nfs/dbraw/zinc/42/41/56/1413424156.db2.gz KQTWBWCGDRXRPA-LJQANCHMSA-N 0 0 384.407 3.019 20 30 GGEDRN COc1ccc(CNC(=O)[C@@H](C#N)C(=O)COc2cccc(C(C)C)c2)cc1 ZINC000119368912 1413426382 /nfs/dbraw/zinc/42/63/82/1413426382.db2.gz TVGJZCXBWRBMQA-FQEVSTJZSA-N 0 0 380.444 3.223 20 30 GGEDRN N#Cc1cc(CN2CCN(C(=O)c3ccc(F)cc3Cl)CC2)ccc1F ZINC000119369799 1413426926 /nfs/dbraw/zinc/42/69/26/1413426926.db2.gz CRBGZUWCHRBVJO-UHFFFAOYSA-N 0 0 375.806 3.448 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000119406491 1413436395 /nfs/dbraw/zinc/43/63/95/1413436395.db2.gz REZKKNPXUUYWNW-UHFFFAOYSA-N 0 0 388.489 3.485 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000119407167 1413436526 /nfs/dbraw/zinc/43/65/26/1413436526.db2.gz WWMQFIZMBNZKNL-UHFFFAOYSA-N 0 0 389.433 3.076 20 30 GGEDRN Cc1ccc(N2CCN(C(=O)NCc3cccc(OCC#N)c3)CC2)cc1C ZINC000119412476 1413438592 /nfs/dbraw/zinc/43/85/92/1413438592.db2.gz WUWSFVCVBUVBIP-UHFFFAOYSA-N 0 0 378.476 3.238 20 30 GGEDRN C#CCOc1ccc(CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000119415107 1413439755 /nfs/dbraw/zinc/43/97/55/1413439755.db2.gz FDMXEBWWBZXBEY-UHFFFAOYSA-N 0 0 391.515 3.072 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)Nc2sc(C)nc2CC(C)C)c1 ZINC000119414797 1413439841 /nfs/dbraw/zinc/43/98/41/1413439841.db2.gz KDXGMMKGULDJLL-UHFFFAOYSA-N 0 0 393.534 3.367 20 30 GGEDRN C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000119415043 1413439917 /nfs/dbraw/zinc/43/99/17/1413439917.db2.gz FWSBSKOJXUSHEO-OAHLLOKOSA-N 0 0 392.459 3.293 20 30 GGEDRN C[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000119441576 1413447996 /nfs/dbraw/zinc/44/79/96/1413447996.db2.gz FVMFOOXWXTZRKT-AWEZNQCLSA-N 0 0 398.488 3.023 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@](C)(O)c2ccc(F)cc2)c1 ZINC000119452337 1413451650 /nfs/dbraw/zinc/45/16/50/1413451650.db2.gz ZMTLZIPLQBIGBJ-RXVVDRJESA-N 0 0 385.439 3.214 20 30 GGEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@](C)(O)c2ccc(F)cc2)c1 ZINC000119452717 1413451694 /nfs/dbraw/zinc/45/16/94/1413451694.db2.gz ZMTLZIPLQBIGBJ-WIYYLYMNSA-N 0 0 385.439 3.214 20 30 GGEDRN CSc1nc(C2CC2)cc(C(=O)N2CCN(c3ccc(O)cc3)CC2)c1C#N ZINC000119454377 1413452232 /nfs/dbraw/zinc/45/22/32/1413452232.db2.gz MJJBMAWZSWSGJB-UHFFFAOYSA-N 0 0 394.500 3.221 20 30 GGEDRN CCCC(=O)Nc1cccc(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000119460973 1413455285 /nfs/dbraw/zinc/45/52/85/1413455285.db2.gz PYNMMWDDPQBCQG-UHFFFAOYSA-N 0 0 391.880 3.429 20 30 GGEDRN CC(C)Cn1cc(NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cn1 ZINC000119463637 1413456113 /nfs/dbraw/zinc/45/61/13/1413456113.db2.gz LWYQUZQAJVBXRK-UHFFFAOYSA-N 0 0 394.460 3.111 20 30 GGEDRN CSc1nc(C2CC2)cc(C(=O)N2CCN(c3ccccc3O)CC2)c1C#N ZINC000119467977 1413457449 /nfs/dbraw/zinc/45/74/49/1413457449.db2.gz ZHYIEAAQNYBXIX-UHFFFAOYSA-N 0 0 394.500 3.221 20 30 GGEDRN C#CCCCCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000119488881 1413463980 /nfs/dbraw/zinc/46/39/80/1413463980.db2.gz SJRNKSUCNHNQRY-UHFFFAOYSA-N 0 0 383.370 3.456 20 30 GGEDRN O=C(OCC#Cc1ccccc1)c1ccc(Br)cc1-n1cncn1 ZINC000119495256 1413465423 /nfs/dbraw/zinc/46/54/23/1413465423.db2.gz PIDVHCYEHORXQQ-UHFFFAOYSA-N 0 0 382.217 3.238 20 30 GGEDRN C[C@H](C(=O)Nc1cccc(NC(=O)c2c(F)cc(C#N)cc2F)c1)n1cccn1 ZINC000119503158 1413468532 /nfs/dbraw/zinc/46/85/32/1413468532.db2.gz KMVVFAGRLJOLLP-GFCCVEGCSA-N 0 0 395.369 3.485 20 30 GGEDRN C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)[C@@H]1c1cccc(F)c1 ZINC000119525384 1413475194 /nfs/dbraw/zinc/47/51/94/1413475194.db2.gz RULGJFOIDXWNMC-YJYMSZOUSA-N 0 0 399.397 3.415 20 30 GGEDRN CCc1noc(CC)c1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000119524771 1413475213 /nfs/dbraw/zinc/47/52/13/1413475213.db2.gz DMENSWNZHSWIRJ-HNNXBMFYSA-N 0 0 399.470 3.278 20 30 GGEDRN C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)[C@H]1c1cccc(F)c1 ZINC000119525800 1413475284 /nfs/dbraw/zinc/47/52/84/1413475284.db2.gz RULGJFOIDXWNMC-ORAYPTAESA-N 0 0 399.397 3.415 20 30 GGEDRN C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)[C@H]1c1cccc(F)c1 ZINC000119525679 1413475435 /nfs/dbraw/zinc/47/54/35/1413475435.db2.gz RULGJFOIDXWNMC-BFUOFWGJSA-N 0 0 399.397 3.415 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000119534163 1413478389 /nfs/dbraw/zinc/47/83/89/1413478389.db2.gz QHCCPTGZCBFTEJ-MRXNPFEDSA-N 0 0 398.406 3.184 20 30 GGEDRN CC(C)C1CCC(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000119534558 1413478532 /nfs/dbraw/zinc/47/85/32/1413478532.db2.gz ILGZLPGGPQOXMV-FAFZWHIHSA-N 0 0 396.491 3.094 20 30 GGEDRN Cc1c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cnn1-c1ccccc1 ZINC000119537338 1413479552 /nfs/dbraw/zinc/47/95/52/1413479552.db2.gz GCEJNRDDTHUPBU-QFIPXVFZSA-N 0 0 385.471 3.203 20 30 GGEDRN COc1ccc(CCC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1F ZINC000119537185 1413479752 /nfs/dbraw/zinc/47/97/52/1413479752.db2.gz PHEPSGYDCLUDJM-HXUWFJFHSA-N 0 0 381.451 3.176 20 30 GGEDRN Cc1cccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)n1 ZINC000119555359 1413484846 /nfs/dbraw/zinc/48/48/46/1413484846.db2.gz FIVDAGNVGIBPSL-IBGZPJMESA-N 0 0 392.459 3.351 20 30 GGEDRN C[C@H](C#N)Oc1ccc(CNc2cccc(Cn3nc4ccccn4c3=O)c2)cc1 ZINC000119557578 1413485320 /nfs/dbraw/zinc/48/53/20/1413485320.db2.gz XQELARWNRMDJAB-QGZVFWFLSA-N 0 0 399.454 3.447 20 30 GGEDRN Cc1ccc(C(=O)N2CCCC[C@H]2CCC(C)C)cc1S(=O)(=O)NCC#N ZINC000119567838 1413488689 /nfs/dbraw/zinc/48/86/89/1413488689.db2.gz BCXSELDBVUDWFC-SFHVURJKSA-N 0 0 391.537 3.228 20 30 GGEDRN N#Cc1ccc(OCc2cccc(C(=O)N3CCOC4(CCOCC4)C3)c2)cc1 ZINC000119571530 1413489291 /nfs/dbraw/zinc/48/92/91/1413489291.db2.gz BGZPKFAZOAJLPA-UHFFFAOYSA-N 0 0 392.455 3.159 20 30 GGEDRN COc1ccc(CN(C)C(=O)[C@@H](C)Sc2nc(C)nc(C)c2C#N)cc1F ZINC000119574969 1413490531 /nfs/dbraw/zinc/49/05/31/1413490531.db2.gz MIJGUNVYFKUYCO-GFCCVEGCSA-N 0 0 388.468 3.252 20 30 GGEDRN Cc1nc(SCC(=O)N2CCC[C@H](Cc3nccn3C)C2)c(C#N)c(C)c1C ZINC000119579664 1413491774 /nfs/dbraw/zinc/49/17/74/1413491774.db2.gz URSNYFXFIJBZOU-QGZVFWFLSA-N 0 0 397.548 3.185 20 30 GGEDRN Cc1nc(SCC(=O)N2CCC[C@@H](Cc3nccn3C)C2)c(C#N)c(C)c1C ZINC000119579862 1413491847 /nfs/dbraw/zinc/49/18/47/1413491847.db2.gz URSNYFXFIJBZOU-KRWDZBQOSA-N 0 0 397.548 3.185 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)N(C)C[C@@H]2CCCOC2)nnc1-c1ccco1 ZINC000119578734 1413491887 /nfs/dbraw/zinc/49/18/87/1413491887.db2.gz FMAGTQWOEBKCLL-HNNXBMFYSA-N 0 0 390.509 3.091 20 30 GGEDRN C[C@H]1CN(C)c2ccccc2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000119586972 1413494315 /nfs/dbraw/zinc/49/43/15/1413494315.db2.gz HQNZBRHXADXHFL-ZDUSSCGKSA-N 0 0 382.851 3.017 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N(CCO)[C@H]1CCCc2ccccc21 ZINC000119599663 1413499401 /nfs/dbraw/zinc/49/94/01/1413499401.db2.gz NYSZGSKHNABFDG-SFHVURJKSA-N 0 0 390.892 3.272 20 30 GGEDRN Cc1cc(N(CCC#N)C(=O)CN(C)CC(=O)Nc2ccccc2)ccc1Cl ZINC000119602393 1413500686 /nfs/dbraw/zinc/50/06/86/1413500686.db2.gz XLIQPIWXHGSRDS-UHFFFAOYSA-N 0 0 398.894 3.466 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N(CCO)[C@@H]2CCCc3ccccc32)cc1Cl ZINC000119603198 1413500739 /nfs/dbraw/zinc/50/07/39/1413500739.db2.gz POLKYMAOTDAKIS-LJQANCHMSA-N 0 0 390.892 3.272 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)Oc2ccc(Br)cc2C=O)c1 ZINC000119609080 1413502201 /nfs/dbraw/zinc/50/22/01/1413502201.db2.gz PVGDAEZMAZUNFC-UHFFFAOYSA-N 0 0 380.219 3.042 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3Cl)CC2)c(F)c1 ZINC000119615889 1413504909 /nfs/dbraw/zinc/50/49/09/1413504909.db2.gz SFASDMZISRLBGU-UHFFFAOYSA-N 0 0 397.834 3.001 20 30 GGEDRN CS(=O)(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(C#N)c1 ZINC000119622647 1413506622 /nfs/dbraw/zinc/50/66/22/1413506622.db2.gz HSZQFABEJNTUJV-UHFFFAOYSA-N 0 0 388.836 3.228 20 30 GGEDRN COc1ccc(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(OC)c1 ZINC000119624273 1413507435 /nfs/dbraw/zinc/50/74/35/1413507435.db2.gz ABKJVVPOPUXTPH-UHFFFAOYSA-N 0 0 394.431 3.146 20 30 GGEDRN CC(=O)N1CC=C(c2ccc(OS(=O)(=O)Cc3cccc(C#N)c3)cc2)CC1 ZINC000119626129 1413508129 /nfs/dbraw/zinc/50/81/29/1413508129.db2.gz ZOUHLWPYXGKRLO-UHFFFAOYSA-N 0 0 396.468 3.103 20 30 GGEDRN N#Cc1cc(F)c(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c(F)c1 ZINC000119632606 1413509724 /nfs/dbraw/zinc/50/97/24/1413509724.db2.gz DHWLUUGFBGRCEP-UHFFFAOYSA-N 0 0 385.370 3.090 20 30 GGEDRN CC(C)(C)OC(=O)NC1(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000119634636 1413510436 /nfs/dbraw/zinc/51/04/36/1413510436.db2.gz OIQNLCLUHBREOZ-UHFFFAOYSA-N 0 0 377.444 3.477 20 30 GGEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCOc2ccc(F)cc2F)cc1 ZINC000119644864 1413514385 /nfs/dbraw/zinc/51/43/85/1413514385.db2.gz JTLGZAWQOLALDN-INIZCTEOSA-N 0 0 388.370 3.480 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000119649182 1413515560 /nfs/dbraw/zinc/51/55/60/1413515560.db2.gz TYWYLAHZXFMEBE-UHFFFAOYSA-N 0 0 380.423 3.386 20 30 GGEDRN C=C[C@H](CC(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1ccccc1 ZINC000119651950 1413516306 /nfs/dbraw/zinc/51/63/06/1413516306.db2.gz FZVADVAVEQZADT-IERDGZPVSA-N 0 0 394.471 3.285 20 30 GGEDRN N#Cc1ccc(OC[C@H](O)Cn2cnc3sc4c(c3c2=O)CCCCC4)cc1 ZINC000119655120 1413517532 /nfs/dbraw/zinc/51/75/32/1413517532.db2.gz HIHJSNVQFWWUEI-OAHLLOKOSA-N 0 0 395.484 3.038 20 30 GGEDRN CCOc1cc(CNC(=O)Cc2cccc(OCC#N)c2)ccc1OC(F)F ZINC000119664359 1413521620 /nfs/dbraw/zinc/52/16/20/1413521620.db2.gz GUFLEQBDGOWNEV-UHFFFAOYSA-N 0 0 390.386 3.448 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)NCCOc2ccc(C(F)(F)F)cc2)c1 ZINC000119682913 1413530089 /nfs/dbraw/zinc/53/00/89/1413530089.db2.gz UNPBVSYKHZQARQ-UHFFFAOYSA-N 0 0 384.379 3.075 20 30 GGEDRN Cc1ccc2ncc(CN3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2c1 ZINC000119684386 1413530430 /nfs/dbraw/zinc/53/04/30/1413530430.db2.gz BHCZVRKKEMSKRQ-UHFFFAOYSA-N 0 0 388.431 3.085 20 30 GGEDRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000119687683 1413531571 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383.408 3.341 20 30 GGEDRN CCC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000119755919 1413557164 /nfs/dbraw/zinc/55/71/64/1413557164.db2.gz CGLXOGLKCONRTF-QGZVFWFLSA-N 0 0 383.423 3.194 20 30 GGEDRN C[C@H]1CN(c2ccc(NC(=O)CON=C(N)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000119763927 1413559634 /nfs/dbraw/zinc/55/96/34/1413559634.db2.gz RIIHRENVPRZKOM-HOTGVXAUSA-N 0 0 388.512 3.108 20 30 GGEDRN Cn1cc(CCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c2ccccc21 ZINC000119768815 1413561740 /nfs/dbraw/zinc/56/17/40/1413561740.db2.gz PILAYXAMYHNXPP-QGZVFWFLSA-N 0 0 396.491 3.082 20 30 GGEDRN N#Cc1csc(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)c1 ZINC000177440088 1428737393 /nfs/dbraw/zinc/73/73/93/1428737393.db2.gz NEGMNGUGJYPKCG-UHFFFAOYSA-N 0 0 388.924 3.215 20 30 GGEDRN N#CC1CCN(C(=O)C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 ZINC000177438351 1428737446 /nfs/dbraw/zinc/73/74/46/1428737446.db2.gz HMGNDFSIAZBALH-UHFFFAOYSA-N 0 0 375.856 3.362 20 30 GGEDRN N#CCOc1cccc(CC(=O)NCCOc2cccc(Br)c2)c1 ZINC000119787916 1413569377 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C[C@@H]1CCc2c(sc3nc(CCC(=O)N[C@@H](C#N)C(C)(C)C)[nH]c(=O)c23)C1 ZINC000122257513 1414403450 /nfs/dbraw/zinc/40/34/50/1414403450.db2.gz NALZWYNDJXMOLN-RISCZKNCSA-N 0 0 386.521 3.096 20 30 GGEDRN CC(C)c1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)n(C)n1 ZINC000177590183 1428805085 /nfs/dbraw/zinc/80/50/85/1428805085.db2.gz MMTGLTWYZFDJNA-GFCCVEGCSA-N 0 0 395.488 3.210 20 30 GGEDRN C[C@@H]1Sc2ccc(C(O)=C(C#N)c3nc4ccccc4n3C)cc2NC1=O ZINC000122283179 1414410840 /nfs/dbraw/zinc/41/08/40/1414410840.db2.gz WPJKONWVNYQCTA-AAEUAGOBSA-N 0 0 376.441 3.496 20 30 GGEDRN Cc1ccc(CN2C[C@H](C(=O)[C@@H](C#N)c3nc4ccccc4n3C)CC2=O)cc1 ZINC000122284333 1414411594 /nfs/dbraw/zinc/41/15/94/1414411594.db2.gz HSXVXKWROGHEEC-QZTJIDSGSA-N 0 0 386.455 3.107 20 30 GGEDRN CN1CCCN(S(=O)(=O)c2cccc(F)c2C#N)c2cc(Cl)ccc21 ZINC000122292746 1414414851 /nfs/dbraw/zinc/41/48/51/1414414851.db2.gz UVMVGPFLTRUENY-UHFFFAOYSA-N 0 0 379.844 3.386 20 30 GGEDRN CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC000122307119 1414419044 /nfs/dbraw/zinc/41/90/44/1414419044.db2.gz WRRRNPSRXRWJCY-RTBURBONSA-N 0 0 377.444 3.297 20 30 GGEDRN CC(C)(C)[C@H](C#N)NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC000122307344 1414419329 /nfs/dbraw/zinc/41/93/29/1414419329.db2.gz WRRRNPSRXRWJCY-MOPGFXCFSA-N 0 0 377.444 3.297 20 30 GGEDRN Cc1cccc2c(CC(=O)[C@@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)c[nH]c21 ZINC000122317079 1414421781 /nfs/dbraw/zinc/42/17/81/1414421781.db2.gz FUOIKFXKUARGHA-QGZVFWFLSA-N 0 0 389.411 3.138 20 30 GGEDRN COc1cccc(NC(=O)[C@H](C#N)C(=O)C[C@H](C)C(=O)c2cccc(F)c2)c1 ZINC000177597714 1428807020 /nfs/dbraw/zinc/80/70/20/1428807020.db2.gz QPHBZUDHVXPKTK-SCLBCKFNSA-N 0 0 382.391 3.391 20 30 GGEDRN COc1ccc(CNC(=O)[C@@H](C#N)C(=O)Cc2c[nH]c3c2cccc3C)cc1 ZINC000122324820 1414423754 /nfs/dbraw/zinc/42/37/54/1414423754.db2.gz DQKNUYZAMRAHBW-IBGZPJMESA-N 0 0 375.428 3.053 20 30 GGEDRN Cc1cc(=O)c(C(=O)N[C@](C)(C#N)C(C)C)nn1-c1cccc(C(F)(F)F)c1 ZINC000122324163 1414423861 /nfs/dbraw/zinc/42/38/61/1414423861.db2.gz SXBWYLGYGBGDLJ-GOSISDBHSA-N 0 0 392.381 3.228 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CC)c2cc(F)ccc2F)c1 ZINC000122331713 1414425940 /nfs/dbraw/zinc/42/59/40/1414425940.db2.gz NMTLQCVRQDMMFA-GOSISDBHSA-N 0 0 394.443 3.310 20 30 GGEDRN Cc1cc(C(=O)N[C@@H](C#N)C(C)(C)C)cc(C)c1OCC(=O)N1CCCCC1 ZINC000122333378 1414426439 /nfs/dbraw/zinc/42/64/39/1414426439.db2.gz DWLVUQVBVFYZNZ-SFHVURJKSA-N 0 0 385.508 3.363 20 30 GGEDRN Cc1cc(C(=O)N[C@H](C#N)C(C)(C)C)cc(C)c1OCC(=O)N1CCCCC1 ZINC000122333601 1414426558 /nfs/dbraw/zinc/42/65/58/1414426558.db2.gz DWLVUQVBVFYZNZ-GOSISDBHSA-N 0 0 385.508 3.363 20 30 GGEDRN C#CCOc1ccc(/C=C/C(=O)c2c(C)nn(CCOC)c2C)cc1OCC ZINC000122334069 1414426635 /nfs/dbraw/zinc/42/66/35/1414426635.db2.gz FYOZDFXUWUWUMO-CSKARUKUSA-N 0 0 382.460 3.453 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000122341919 1414428552 /nfs/dbraw/zinc/42/85/52/1414428552.db2.gz MTSWEFUPHZXAJS-DQLDELGASA-N 0 0 384.476 3.190 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)NC(C)C)cc1 ZINC000122367662 1414436898 /nfs/dbraw/zinc/43/68/98/1414436898.db2.gz QOMFKRPHNFDSNJ-UHFFFAOYSA-N 0 0 394.475 3.377 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)NCC2(c3ccc(F)cc3)CC2)CC1 ZINC000122368322 1414437163 /nfs/dbraw/zinc/43/71/63/1414437163.db2.gz IVPMRPFFXFWGOM-UHFFFAOYSA-N 0 0 396.441 3.400 20 30 GGEDRN Cc1oc(NC(=O)[C@@H](C)N2CCC(OC[C@H]3CCCCO3)CC2)c(C#N)c1C ZINC000177605072 1428808400 /nfs/dbraw/zinc/80/84/00/1428808400.db2.gz HLPKIODYZSJZDC-CRAIPNDOSA-N 0 0 389.496 3.145 20 30 GGEDRN COc1ccc(CNC(=O)[C@@H](C#N)C(=O)C[C@H](C)C(=O)c2cccc(F)c2)cc1 ZINC000177604447 1428808608 /nfs/dbraw/zinc/80/86/08/1428808608.db2.gz KPIKBOUPIHJGDG-LIRRHRJNSA-N 0 0 396.418 3.068 20 30 GGEDRN CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000122390023 1414443598 /nfs/dbraw/zinc/44/35/98/1414443598.db2.gz QKQKRCIPRVEZGZ-QGZVFWFLSA-N 0 0 389.452 3.295 20 30 GGEDRN CC(C)Oc1cc(CN(CCS(=O)(=O)c2ccc(C#N)cc2)C2CC2)ccn1 ZINC000122398965 1414446494 /nfs/dbraw/zinc/44/64/94/1414446494.db2.gz PIJHEMBYSQRTPC-UHFFFAOYSA-N 0 0 399.516 3.179 20 30 GGEDRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000122408659 1414449634 /nfs/dbraw/zinc/44/96/34/1414449634.db2.gz UKAWLOYZHJUDMX-KRWDZBQOSA-N 0 0 377.444 3.050 20 30 GGEDRN COCCn1nc(C)c(C(=O)C=Cc2c[nH]nc2-c2ccc(OC)cc2)c1C ZINC000122412421 1414451462 /nfs/dbraw/zinc/45/14/62/1414451462.db2.gz BVIXNUQLHRFLRQ-JXMROGBWSA-N 0 0 380.448 3.441 20 30 GGEDRN CCCc1nnc(SCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)o1 ZINC000122413832 1414452295 /nfs/dbraw/zinc/45/22/95/1414452295.db2.gz RRQHEKFIRORRQB-UHFFFAOYSA-N 0 0 383.395 3.301 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C[C@H]2CCC[C@H](C)C2)cc1OC ZINC000122418121 1414453202 /nfs/dbraw/zinc/45/32/02/1414453202.db2.gz GEHQEYLOZFDXON-RYQLBKOJSA-N 0 0 386.492 3.288 20 30 GGEDRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)C(=O)Nc1cccc(C)c1C#N ZINC000122421101 1414454157 /nfs/dbraw/zinc/45/41/57/1414454157.db2.gz GOLGNUICNRESGL-INIZCTEOSA-N 0 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/nfs/dbraw/zinc/46/35/83/1414463583.db2.gz OXCKBHNKMVAWMP-KRWDZBQOSA-N 0 0 394.471 3.435 20 30 GGEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000122451340 1414464147 /nfs/dbraw/zinc/46/41/47/1414464147.db2.gz OOEMGRVTLAOJPB-UHFFFAOYSA-N 0 0 391.387 3.194 20 30 GGEDRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N[C@H](C#N)C(C)(C)C)CC1 ZINC000122452021 1414464392 /nfs/dbraw/zinc/46/43/92/1414464392.db2.gz LWBLCGHBXCWFBO-QGZVFWFLSA-N 0 0 391.899 3.255 20 30 GGEDRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N[C@@H](C#N)C(C)(C)C)CC1 ZINC000122452271 1414465247 /nfs/dbraw/zinc/46/52/47/1414465247.db2.gz LWBLCGHBXCWFBO-KRWDZBQOSA-N 0 0 391.899 3.255 20 30 GGEDRN N#CCCN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000177612735 1428810554 /nfs/dbraw/zinc/81/05/54/1428810554.db2.gz QKTRMKVRFZBHEU-UHFFFAOYSA-N 0 0 388.411 3.321 20 30 GGEDRN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177612773 1428810591 /nfs/dbraw/zinc/81/05/91/1428810591.db2.gz DLWSUFYCFSFQAZ-SFHVURJKSA-N 0 0 391.899 3.200 20 30 GGEDRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N(CCC#N)CC(F)(F)F ZINC000177612424 1428810672 /nfs/dbraw/zinc/81/06/72/1428810672.db2.gz KCPCKINNHKQWCL-UHFFFAOYSA-N 0 0 382.361 3.475 20 30 GGEDRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000122469357 1414471736 /nfs/dbraw/zinc/47/17/36/1414471736.db2.gz FJHBIDISHOGTEY-OAHLLOKOSA-N 0 0 397.862 3.395 20 30 GGEDRN Cc1cc(C)c(N2C[C@H](C(=O)N(CCC#N)CC(F)(F)F)CC2=O)c(C)c1 ZINC000177614359 1428811016 /nfs/dbraw/zinc/81/10/16/1428811016.db2.gz JGIXUVKXPNQDFB-OAHLLOKOSA-N 0 0 381.398 3.269 20 30 GGEDRN C#CC[C@H](OC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)c1ccccn1 ZINC000122471479 1414472480 /nfs/dbraw/zinc/47/24/80/1414472480.db2.gz QSEILVCJVQBUFH-RXVVDRJESA-N 0 0 392.455 3.007 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000122471181 1414472503 /nfs/dbraw/zinc/47/25/03/1414472503.db2.gz LEGGDHDMOBPPEH-UHFFFAOYSA-N 0 0 389.415 3.210 20 30 GGEDRN C=CCn1c(SCC(=O)NC(=O)NCCCC)nnc1-c1ccc(C)cc1 ZINC000122472416 1414472822 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CC[C@H](Cc1ccccc1)N(CC)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000122487332 1414478826 /nfs/dbraw/zinc/47/88/26/1414478826.db2.gz BXEUONNLCRDJCF-GOSISDBHSA-N 0 0 395.507 3.318 20 30 GGEDRN C=CCn1c(S[C@H](C)C(=O)Nc2ncccn2)nnc1-c1ccc(C)cc1 ZINC000122501842 1414483901 /nfs/dbraw/zinc/48/39/01/1414483901.db2.gz WQJIZXJHQNGREA-CQSZACIVSA-N 0 0 380.477 3.349 20 30 GGEDRN N#Cc1cc(NC(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)ccc1F ZINC000122507045 1414484573 /nfs/dbraw/zinc/48/45/73/1414484573.db2.gz YQMBMHQEZAPENA-GOSISDBHSA-N 0 0 380.423 3.053 20 30 GGEDRN N#Cc1ccc(OCc2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1F ZINC000122514337 1414487617 /nfs/dbraw/zinc/48/76/17/1414487617.db2.gz WBYHRNBHRXXCLW-UHFFFAOYSA-N 0 0 386.383 3.197 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N(Cc2cc(F)ccc2F)C[C@@H]2CCCO2)cc1 ZINC000122519753 1414488144 /nfs/dbraw/zinc/48/81/44/1414488144.db2.gz ISSQGTSBFNGKKQ-KRWDZBQOSA-N 0 0 392.427 3.206 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N(Cc2cc(F)ccc2F)C[C@H]2CCCO2)cc1 ZINC000122519977 1414488164 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Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 ZINC000177750374 1428849364 /nfs/dbraw/zinc/84/93/64/1428849364.db2.gz PPKHVHLIFMSMPX-RDJZCZTQSA-N 0 0 380.477 3.222 20 30 GGEDRN Cc1ccc(-c2ncco2)cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000124329800 1414940863 /nfs/dbraw/zinc/94/08/63/1414940863.db2.gz DYRXNUVHLNQWNO-UHFFFAOYSA-N 0 0 376.416 3.398 20 30 GGEDRN CCS(=O)(=O)Nc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1C ZINC000124338029 1414942685 /nfs/dbraw/zinc/94/26/85/1414942685.db2.gz OJXLAIFKQRXEKY-UHFFFAOYSA-N 0 0 379.388 3.159 20 30 GGEDRN Cc1nc(SCC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c(C#N)c(C)c1C ZINC000124348305 1414945856 /nfs/dbraw/zinc/94/58/56/1414945856.db2.gz XMQMVDTWRNTJFQ-UHFFFAOYSA-N 0 0 396.394 3.316 20 30 GGEDRN CCN1C[C@@H](COC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1=O ZINC000124347363 1414945928 /nfs/dbraw/zinc/94/59/28/1414945928.db2.gz UPCZBKSTDHILOF-INIZCTEOSA-N 0 0 378.428 3.162 20 30 GGEDRN C=CCn1c(-c2ccncc2)nn(CN(C)Cc2nccn2C(F)F)c1=S ZINC000124379683 1414952762 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CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000178085427 1428975300 /nfs/dbraw/zinc/97/53/00/1428975300.db2.gz UPSWYHQWZITKIB-OALUTQOASA-N 0 0 396.491 3.471 20 30 GGEDRN COc1ccc(-c2noc(C[S@@](=O)Cc3ccc(C#N)cc3)n2)c(OC)c1 ZINC000127188529 1415681827 /nfs/dbraw/zinc/68/18/27/1415681827.db2.gz FAWQESXXDOCMOF-HHHXNRCGSA-N 0 0 383.429 3.074 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)cn1 ZINC000127197347 1415683640 /nfs/dbraw/zinc/68/36/40/1415683640.db2.gz SXMPKTIUJNINHH-SFHVURJKSA-N 0 0 383.473 3.160 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)cn1 ZINC000127197598 1415684004 /nfs/dbraw/zinc/68/40/04/1415684004.db2.gz SXMPKTIUJNINHH-GOSISDBHSA-N 0 0 383.473 3.160 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)N[C@H](C3CCCC3)C(F)(F)F)CC2)nc1 ZINC000127207160 1415686624 /nfs/dbraw/zinc/68/66/24/1415686624.db2.gz YXUFHALLCSAISZ-QGZVFWFLSA-N 0 0 395.429 3.342 20 30 GGEDRN C=CCCCCCN(C)C(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000178061029 1428962994 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GGEDRN C=CCc1cc(C(=O)N[C@H]2CCC[C@H]([S@](=O)CC)C2)cc(OC)c1OC ZINC000178094034 1428978653 /nfs/dbraw/zinc/97/86/53/1428978653.db2.gz NSAAZGJGJGEAGD-PVRZRQTBSA-N 0 0 379.522 3.242 20 30 GGEDRN C=CCOc1ccc(C=CC(O)=C(C#N)C(=O)NC2CCCCC2)cc1OC ZINC000127277964 1415715583 /nfs/dbraw/zinc/71/55/83/1415715583.db2.gz VMGHRQDRXKPVBU-FYGXRCCRSA-N 0 0 382.460 3.431 20 30 GGEDRN CCc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C#N)c1CC ZINC000127284618 1415717603 /nfs/dbraw/zinc/71/76/03/1415717603.db2.gz AIMMZJDVPIZKCK-UHFFFAOYSA-N 0 0 381.436 3.429 20 30 GGEDRN C[C@@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1cccc(O)c1 ZINC000127283922 1415717970 /nfs/dbraw/zinc/71/79/70/1415717970.db2.gz PHRWKQJSGMCQET-ZCGYKAAXSA-N 0 0 380.448 3.409 20 30 GGEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCCN2CCSCC2)cc1C ZINC000127288129 1415720559 /nfs/dbraw/zinc/72/05/59/1415720559.db2.gz MJEZCJVXXAKUGJ-UHFFFAOYSA-N 0 0 398.532 3.286 20 30 GGEDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000127299759 1415726931 /nfs/dbraw/zinc/72/69/31/1415726931.db2.gz BJZGPOBLPXFVPC-WBMJQRKESA-N 0 0 375.450 3.233 20 30 GGEDRN Cc1oc(-c2ccccc2)nc1C[S@](=O)CC(=O)Nc1cccc(C#N)c1 ZINC000127322935 1415736814 /nfs/dbraw/zinc/73/68/14/1415736814.db2.gz JHWMHMPCUAYFSH-HHHXNRCGSA-N 0 0 379.441 3.409 20 30 GGEDRN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)/C=C/c2ccccc2C#N)c1 ZINC000178105699 1428983777 /nfs/dbraw/zinc/98/37/77/1428983777.db2.gz MITDSVUUHVDCKK-AYJWMTRPSA-N 0 0 383.473 3.287 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)CC1 ZINC000127336153 1415742425 /nfs/dbraw/zinc/74/24/25/1415742425.db2.gz ASTITKISUAFCGJ-UHFFFAOYSA-N 0 0 397.475 3.136 20 30 GGEDRN CC[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000127352888 1415749608 /nfs/dbraw/zinc/74/96/08/1415749608.db2.gz XVRGDLJPYUNEFY-SFHVURJKSA-N 0 0 375.425 3.049 20 30 GGEDRN CC[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)Oc1ccccc1C ZINC000178112682 1428987233 /nfs/dbraw/zinc/98/72/33/1428987233.db2.gz PCFRKEVDJIZEBI-MRXNPFEDSA-N 0 0 385.851 3.432 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000178112608 1428987280 /nfs/dbraw/zinc/98/72/80/1428987280.db2.gz HFHVDKHGTIXXOD-UHFFFAOYSA-N 0 0 376.334 3.277 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(C)ccc2Br)c1 ZINC000178112702 1428987326 /nfs/dbraw/zinc/98/73/26/1428987326.db2.gz NJDAZTBDSRNWHO-UHFFFAOYSA-N 0 0 385.261 3.450 20 30 GGEDRN CC[C@](C)(C#N)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000127366325 1415755327 /nfs/dbraw/zinc/75/53/27/1415755327.db2.gz DCCTZTUIYMTHAR-LJQANCHMSA-N 0 0 389.452 3.357 20 30 GGEDRN C=CCCO[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000178112315 1428987614 /nfs/dbraw/zinc/98/76/14/1428987614.db2.gz ZRHFJMPTHICTEO-INIZCTEOSA-N 0 0 388.489 3.085 20 30 GGEDRN CC[C@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000127433557 1415777914 /nfs/dbraw/zinc/77/79/14/1415777914.db2.gz KIPQLCKIGNIPOI-LJQANCHMSA-N 0 0 377.510 3.062 20 30 GGEDRN CC[C@@](C)(C#N)NC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC000127454539 1415784744 /nfs/dbraw/zinc/78/47/44/1415784744.db2.gz YCVKHKPCGCUKHV-FQEVSTJZSA-N 0 0 391.537 3.146 20 30 GGEDRN C=CCNc1ncc(C(=O)Nc2cc(C(=O)NCC)c3ccccc3n2)s1 ZINC000127455116 1415785116 /nfs/dbraw/zinc/78/51/16/1415785116.db2.gz BISXASCSKKVKBF-UHFFFAOYSA-N 0 0 381.461 3.291 20 30 GGEDRN COCCCOc1cc(C)ccc1CNC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000127459521 1415787106 /nfs/dbraw/zinc/78/71/06/1415787106.db2.gz FWBGIFFBLBBWRK-KRWDZBQOSA-N 0 0 382.460 3.366 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2COc3ccc(F)cc3C2)ccc1OC ZINC000127464296 1415789530 /nfs/dbraw/zinc/78/95/30/1415789530.db2.gz KHQBDZUKRIQQBZ-SJLPKXTDSA-N 0 0 398.434 3.383 20 30 GGEDRN Cc1nc(COc2cccc(C(=O)Nc3nn(C(C)(C)C)cc3C#N)c2)no1 ZINC000127468511 1415791156 /nfs/dbraw/zinc/79/11/56/1415791156.db2.gz UBUUSYXATPYDAE-UHFFFAOYSA-N 0 0 380.408 3.033 20 30 GGEDRN C=C(C)CN(CC)C(=O)C[S@@](=O)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000127474183 1415793379 /nfs/dbraw/zinc/79/33/79/1415793379.db2.gz AUDSQWKLZJYXGR-AREMUKBSSA-N 0 0 376.478 3.024 20 30 GGEDRN CCCN(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C#N)cc1)S(C)(=O)=O ZINC000178142979 1428997611 /nfs/dbraw/zinc/99/76/11/1428997611.db2.gz GWLBXEXWMAWWPB-UHFFFAOYSA-N 0 0 399.516 3.072 20 30 GGEDRN CC[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000127517365 1415803992 /nfs/dbraw/zinc/80/39/92/1415803992.db2.gz FYABJLRBPBCBKC-SFHVURJKSA-N 0 0 375.425 3.049 20 30 GGEDRN CC[C@](C)(C#N)NC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000127528520 1415805385 /nfs/dbraw/zinc/80/53/85/1415805385.db2.gz VTVFYWRHPQXORP-HXUWFJFHSA-N 0 0 386.473 3.493 20 30 GGEDRN N#Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NC2CCCC2)c(F)c1 ZINC000127531844 1415805763 /nfs/dbraw/zinc/80/57/63/1415805763.db2.gz LRLRYCJIAKATPS-UHFFFAOYSA-N 0 0 381.407 3.387 20 30 GGEDRN Cc1nc(CC(N)=NO[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cs1 ZINC000178145379 1428998929 /nfs/dbraw/zinc/99/89/29/1428998929.db2.gz LYGUXYTWCDLLBH-NEPJUHHUSA-N 0 0 386.477 3.295 20 30 GGEDRN CCc1ccc([C@@H]2COCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)o1 ZINC000127550697 1415808472 /nfs/dbraw/zinc/80/84/72/1415808472.db2.gz BPEVFRRMBQCYGQ-SFHVURJKSA-N 0 0 395.459 3.182 20 30 GGEDRN COC(=O)C1=C(C(=O)c2ccccc2F)[C@H](c2ccc(C)c(C)c2)NC(=S)N1 ZINC000127554718 1415808860 /nfs/dbraw/zinc/80/88/60/1415808860.db2.gz BWEIBOYLQMXNSU-KRWDZBQOSA-N 0 0 398.459 3.271 20 30 GGEDRN CC(C)CCC[C@H](C)NC(=O)CON=C(N)c1cccnc1N1CCCCC1 ZINC000178149097 1428999364 /nfs/dbraw/zinc/99/93/64/1428999364.db2.gz PVBJWZXUXLWINK-KRWDZBQOSA-N 0 0 389.544 3.040 20 30 GGEDRN CC[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000127552857 1415808975 /nfs/dbraw/zinc/80/89/75/1415808975.db2.gz UHJZEZSQNVSXCQ-HXUWFJFHSA-N 0 0 395.488 3.487 20 30 GGEDRN COc1cc2c(cc1OC)CN(C(=O)C(C)(C)Oc1ccc(C#N)cc1)CC2 ZINC000178150193 1428999817 /nfs/dbraw/zinc/99/98/17/1428999817.db2.gz PGAWVPIFQJQUDY-UHFFFAOYSA-N 0 0 380.444 3.318 20 30 GGEDRN CC(C)CCC[C@H](C)NC(=O)CON=C(N)c1ccc(N2CCCCC2)nc1 ZINC000178149833 1428999964 /nfs/dbraw/zinc/99/99/64/1428999964.db2.gz IKXBETDXFZYZSM-KRWDZBQOSA-N 0 0 389.544 3.040 20 30 GGEDRN COC(=O)C1=C(C(=O)c2ccc(Cl)s2)[C@H](c2cccs2)NC(=S)N1 ZINC000127585754 1415814185 /nfs/dbraw/zinc/81/41/85/1415814185.db2.gz ZITPBLWEBUOVIE-NSHDSACASA-N 0 0 398.918 3.292 20 30 GGEDRN Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CN3CCCC3=O)cc2)c1 ZINC000127584534 1415814237 /nfs/dbraw/zinc/81/42/37/1415814237.db2.gz QHEBPULCFIHMCK-LJQANCHMSA-N 0 0 375.428 3.079 20 30 GGEDRN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CN3CCCC3=O)cc2)c1 ZINC000127584301 1415814334 /nfs/dbraw/zinc/81/43/34/1415814334.db2.gz QHEBPULCFIHMCK-IBGZPJMESA-N 0 0 375.428 3.079 20 30 GGEDRN C=CCn1c(-c2cnccn2)nn(CN2Cc3ccccc3C[C@@H]2C)c1=S ZINC000178151640 1429000473 /nfs/dbraw/zinc/00/04/73/1429000473.db2.gz IBLILJAZUVWHAX-HNNXBMFYSA-N 0 0 378.505 3.461 20 30 GGEDRN COC(=O)C1=C(C(=O)c2ccc(Cl)s2)[C@@H](c2ccsc2)NC(=S)N1 ZINC000127586850 1415814885 /nfs/dbraw/zinc/81/48/85/1415814885.db2.gz OYUNOYPHPMVLMX-LLVKDONJSA-N 0 0 398.918 3.292 20 30 GGEDRN CC[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 ZINC000127594699 1415815854 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COc1nn(C)c2nc(C)c(CCC(=O)Nc3cccc(C#N)c3C)c(C)c12 ZINC000178404582 1429071495 /nfs/dbraw/zinc/07/14/95/1429071495.db2.gz DUATVQAWIYYPOM-UHFFFAOYSA-N 0 0 377.448 3.345 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2CC)cc1 ZINC000129210938 1416171341 /nfs/dbraw/zinc/17/13/41/1416171341.db2.gz UNSNTIYELQQDCK-CRAIPNDOSA-N 0 0 386.496 3.360 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000178414758 1429072956 /nfs/dbraw/zinc/07/29/56/1429072956.db2.gz YIKSPMKEHSLOKZ-UHFFFAOYSA-N 0 0 391.855 3.339 20 30 GGEDRN C=CCNc1ncc(C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)s1 ZINC000129236818 1416176705 /nfs/dbraw/zinc/17/67/05/1416176705.db2.gz CQHUTEGCIMBUBY-UHFFFAOYSA-N 0 0 393.472 3.318 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2c(C)cc(N(C)C)cc2C)cc1 ZINC000129235291 1416176920 /nfs/dbraw/zinc/17/69/20/1416176920.db2.gz DJSIATOYGLNADR-UHFFFAOYSA-N 0 0 387.505 3.086 20 30 GGEDRN N#Cc1ccc(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)cc1Cl ZINC000129249844 1416180060 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COc1ccccc1[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)c1ccccn1 ZINC000129297997 1416187369 /nfs/dbraw/zinc/18/73/69/1416187369.db2.gz WIGHVBSRSGBYCU-HSZRJFAPSA-N 0 0 386.407 3.076 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccccc2C[S@@](C)=O)c1 ZINC000129311076 1416189024 /nfs/dbraw/zinc/18/90/24/1416189024.db2.gz AFRYNMWJAAAFBD-MHZLTWQESA-N 0 0 386.473 3.097 20 30 GGEDRN C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccccc1CN1CCCC1=O ZINC000129312507 1416189545 /nfs/dbraw/zinc/18/95/45/1416189545.db2.gz GTGBKFLYTHBSKN-UHFFFAOYSA-N 0 0 393.462 3.293 20 30 GGEDRN CC[C@](C)(O)CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000129321238 1416190897 /nfs/dbraw/zinc/19/08/97/1416190897.db2.gz GBOGKAVTPHJTCW-UTKZUKDTSA-N 0 0 399.878 3.211 20 30 GGEDRN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000129319999 1416190935 /nfs/dbraw/zinc/19/09/35/1416190935.db2.gz LXLQFBAQTUJCNB-OAQYLSRUSA-N 0 0 382.508 3.237 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)Nc2cccc(Cn3cccn3)c2)ccc1Cl ZINC000129325402 1416191337 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GGEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000129383284 1416200247 /nfs/dbraw/zinc/20/02/47/1416200247.db2.gz WJZNWRSXAVSTDP-FQEVSTJZSA-N 0 0 375.432 3.240 20 30 GGEDRN C=CCNc1ncc(C(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)s1 ZINC000129392176 1416201773 /nfs/dbraw/zinc/20/17/73/1416201773.db2.gz KQEKAOBPNNXPNT-ZDUSSCGKSA-N 0 0 380.514 3.213 20 30 GGEDRN N#Cc1cccc(OCCCSc2nnc(COc3ccc(F)cc3)n2N)c1 ZINC000129403540 1416204408 /nfs/dbraw/zinc/20/44/08/1416204408.db2.gz JFZDNCCDMDGJSR-UHFFFAOYSA-N 0 0 399.451 3.143 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000178435219 1429076484 /nfs/dbraw/zinc/07/64/84/1429076484.db2.gz ZIBQNOGKOGPLEX-INIZCTEOSA-N 0 0 388.427 3.353 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N(C)Cc1ccccc1OC(F)(F)F ZINC000178434515 1429076489 /nfs/dbraw/zinc/07/64/89/1429076489.db2.gz AVTRHBWTCTVOBT-UHFFFAOYSA-N 0 0 391.349 3.362 20 30 GGEDRN CC(C)c1ccc(-n2ccnc2SCC(=O)[C@H](C#N)C(=O)NC2CC2)cc1 ZINC000129428095 1416207882 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GGEDRN CCc1c(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cnn1Cc1ccccc1 ZINC000130471022 1416383303 /nfs/dbraw/zinc/38/33/03/1416383303.db2.gz VUVZSJYVMVLSID-UHFFFAOYSA-N 0 0 386.455 3.269 20 30 GGEDRN C[C@H](NC(=O)C(C)(C)C)C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130471783 1416383469 /nfs/dbraw/zinc/38/34/69/1416383469.db2.gz MJNJWBAPWAHHTP-TVQRCGJNSA-N 0 0 384.263 3.192 20 30 GGEDRN C[C@@H](NC(=O)C(C)(C)C)C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130472008 1416383525 /nfs/dbraw/zinc/38/35/25/1416383525.db2.gz MJNJWBAPWAHHTP-NOZJJQNGSA-N 0 0 384.263 3.192 20 30 GGEDRN CC(=O)NCCCCCC(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130481343 1416385577 /nfs/dbraw/zinc/38/55/77/1416385577.db2.gz GHJBHVDEOJLDFG-HNNXBMFYSA-N 0 0 384.263 3.337 20 30 GGEDRN C=CCN(CC(=O)OCC)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000130487018 1416386656 /nfs/dbraw/zinc/38/66/56/1416386656.db2.gz UXSCNDWDXJJGST-UHFFFAOYSA-N 0 0 381.354 3.082 20 30 GGEDRN C[C@@H](NC(=O)c1ccoc1)C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 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C[C@H]1CN(c2ccc(NC(=O)COc3ccc(C#N)cc3F)cc2)C[C@H](C)O1 ZINC000134295558 1417051472 /nfs/dbraw/zinc/05/14/72/1417051472.db2.gz HQLNNXHDSVJDLP-GJZGRUSLSA-N 0 0 383.423 3.328 20 30 GGEDRN C[C@@H]1CN(c2ccc(NC(=O)COc3ccc(C#N)cc3F)cc2)C[C@H](C)O1 ZINC000134295529 1417051639 /nfs/dbraw/zinc/05/16/39/1417051639.db2.gz HQLNNXHDSVJDLP-GASCZTMLSA-N 0 0 383.423 3.328 20 30 GGEDRN N#Cc1ccc(OCC(=O)NCCOc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000134307633 1417053596 /nfs/dbraw/zinc/05/35/96/1417053596.db2.gz WMFSCUOGHDNIDR-UHFFFAOYSA-N 0 0 382.313 3.290 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c1C#N ZINC000134353723 1417059258 /nfs/dbraw/zinc/05/92/58/1417059258.db2.gz KNOUKBUYGGINFC-VQIMIIECSA-N 0 0 395.459 3.293 20 30 GGEDRN N#CCOc1cccc(CC(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c1 ZINC000134355604 1417059846 /nfs/dbraw/zinc/05/98/46/1417059846.db2.gz YPWDCVJUEGPPER-SFTDATJTSA-N 0 0 380.444 3.452 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000134355368 1417059865 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20 30 GGEDRN COc1cc(/C=C/C(=O)N[C@H](C)C[C@H](O)c2ccc(F)cc2)ccc1OCC#N ZINC000134442535 1417068387 /nfs/dbraw/zinc/06/83/87/1417068387.db2.gz DMJMCFSDEWKEKL-JDTWVZAYSA-N 0 0 398.434 3.378 20 30 GGEDRN COc1cc(/C=C/C(=O)N[C@H](C)C[C@@H](O)c2ccc(F)cc2)ccc1OCC#N ZINC000134442574 1417068459 /nfs/dbraw/zinc/06/84/59/1417068459.db2.gz DMJMCFSDEWKEKL-PMJVVVBVSA-N 0 0 398.434 3.378 20 30 GGEDRN Cc1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1-c1ncco1 ZINC000178734342 1429155998 /nfs/dbraw/zinc/15/59/98/1429155998.db2.gz KRDXJCRHRQQTSW-UHFFFAOYSA-N 0 0 388.431 3.271 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134461682 1417072129 /nfs/dbraw/zinc/07/21/29/1417072129.db2.gz AWQAEIABKSMTHA-LRDDRELGSA-N 0 0 388.459 3.396 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c(C(F)(F)F)c1 ZINC000134463870 1417072621 /nfs/dbraw/zinc/07/26/21/1417072621.db2.gz XBLGEHCBRVXNOJ-DAYGRLMNSA-N 0 0 392.402 3.441 20 30 GGEDRN CC(=O)N(Cc1ccc(NS(=O)(=O)c2cc(C#N)ccc2C)cc1)C1CC1 ZINC000134465782 1417072992 /nfs/dbraw/zinc/07/29/92/1417072992.db2.gz XHZKWORWSPPMPC-UHFFFAOYSA-N 0 0 383.473 3.178 20 30 GGEDRN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000134469619 1417073313 /nfs/dbraw/zinc/07/33/13/1417073313.db2.gz SIVSRVSEXPOBAZ-HOTGVXAUSA-N 0 0 377.872 3.202 20 30 GGEDRN N#CCOc1cccc(CC(=O)NCc2cccc(NC(=O)C3CCC3)c2)c1 ZINC000134477799 1417074789 /nfs/dbraw/zinc/07/47/89/1417074789.db2.gz WGAWRJKQKJPNLA-UHFFFAOYSA-N 0 0 377.444 3.186 20 30 GGEDRN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178737522 1429156619 /nfs/dbraw/zinc/15/66/19/1429156619.db2.gz VGHIBKCUSKZRIQ-NEPJUHHUSA-N 0 0 388.821 3.107 20 30 GGEDRN C[C@@H](N1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1)C(F)(F)F ZINC000178734969 1429156889 /nfs/dbraw/zinc/15/68/89/1429156889.db2.gz IKLBNRDXWJWEAD-OAHLLOKOSA-N 0 0 392.425 3.306 20 30 GGEDRN N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134527947 1417082603 /nfs/dbraw/zinc/08/26/03/1417082603.db2.gz TVURDDJSTHFTQZ-SFHVURJKSA-N 0 0 384.823 3.271 20 30 GGEDRN CN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccn1 ZINC000134529318 1417082638 /nfs/dbraw/zinc/08/26/38/1417082638.db2.gz VRSBJFHQDPZBLA-UHFFFAOYSA-N 0 0 377.404 3.081 20 30 GGEDRN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000134541304 1417084465 /nfs/dbraw/zinc/08/44/65/1417084465.db2.gz FJGHOFSGUDAWIT-IAGOWNOFSA-N 0 0 378.432 3.097 20 30 GGEDRN CC(=O)Nc1cc(F)c(S(=O)(=O)Oc2ccc(C#N)cc2F)cc1Cl ZINC000134560531 1417086792 /nfs/dbraw/zinc/08/67/92/1417086792.db2.gz HNXOIQOVAZYLPG-UHFFFAOYSA-N 0 0 386.763 3.216 20 30 GGEDRN COC(=O)CN(CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(Cl)cc1 ZINC000178738328 1429157637 /nfs/dbraw/zinc/15/76/37/1429157637.db2.gz GBDQGLAEDIGZJJ-UHFFFAOYSA-N 0 0 389.839 3.035 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)c3ccc(Cl)cn3)c(C#N)c2N)cc1 ZINC000134605650 1417095567 /nfs/dbraw/zinc/09/55/67/1417095567.db2.gz NZFKDEJVVQQIJE-UHFFFAOYSA-N 0 0 394.866 3.046 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(-n3cccn3)n2)cc1 ZINC000134619473 1417098587 /nfs/dbraw/zinc/09/85/87/1417098587.db2.gz KSTILIGZIZAOAS-UHFFFAOYSA-N 0 0 387.443 3.334 20 30 GGEDRN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000134649686 1417105355 /nfs/dbraw/zinc/10/53/55/1417105355.db2.gz JHSFHJBPROQJKN-IRXDYDNUSA-N 0 0 392.544 3.049 20 30 GGEDRN N#CC1(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2)CCC1 ZINC000134657910 1417107645 /nfs/dbraw/zinc/10/76/45/1417107645.db2.gz QNYMFNHUVYNYHG-UHFFFAOYSA-N 0 0 391.399 3.398 20 30 GGEDRN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000134664461 1417109517 /nfs/dbraw/zinc/10/95/17/1417109517.db2.gz AIPHNKOXCLBBMU-PBHICJAKSA-N 0 0 397.479 3.486 20 30 GGEDRN C=CCOc1ccccc1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134666295 1417109896 /nfs/dbraw/zinc/10/98/96/1417109896.db2.gz PCZKRYSGFSWGTI-UHFFFAOYSA-N 0 0 378.388 3.275 20 30 GGEDRN CS(=O)(=O)N(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(C#N)cc1 ZINC000134682099 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GGEDRN C=CCN(C(=O)c1ccc(OC)nn1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000151167448 1417886196 /nfs/dbraw/zinc/88/61/96/1417886196.db2.gz VLGVMIAUPIFGJX-UHFFFAOYSA-N 0 0 397.416 3.350 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000178918531 1429219972 /nfs/dbraw/zinc/21/99/72/1429219972.db2.gz ISLJXCLNNPASDV-LJQANCHMSA-N 0 0 390.405 3.161 20 30 GGEDRN COC(=O)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000178918261 1429220027 /nfs/dbraw/zinc/22/00/27/1429220027.db2.gz PJNJVRNOLOQXDM-UHFFFAOYSA-N 0 0 386.473 3.011 20 30 GGEDRN COc1ccc(S(=O)(=O)Oc2ccc(Br)cc2C#N)cc1F ZINC000151178949 1417888742 /nfs/dbraw/zinc/88/87/42/1417888742.db2.gz VEDIRRFSQDBMHJ-UHFFFAOYSA-N 0 0 386.198 3.236 20 30 GGEDRN Cc1cc(S(=O)(=O)Oc2ccc(Br)cc2C#N)cnc1Cl ZINC000151179782 1417889162 /nfs/dbraw/zinc/88/91/62/1417889162.db2.gz GWYJFFMOUMYZNB-UHFFFAOYSA-N 0 0 387.642 3.445 20 30 GGEDRN C=CCn1c(SCC(=O)N[C@H](CC)COC)nnc1-c1ccc(Cl)cc1 ZINC000151183697 1417889393 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3.255 20 30 GGEDRN Cc1nc(CC(N)=NOCC(=O)N[C@H](c2ccccc2)C2CCCC2)cs1 ZINC000151278807 1417912273 /nfs/dbraw/zinc/91/22/73/1417912273.db2.gz REUCRGLNGQLGOD-HXUWFJFHSA-N 0 0 386.521 3.331 20 30 GGEDRN N#CCC[C@@H](NC(=O)NCCNc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC000151289385 1417916553 /nfs/dbraw/zinc/91/65/53/1417916553.db2.gz LYCWFYMYYNJDMM-CQSZACIVSA-N 0 0 392.385 3.252 20 30 GGEDRN CC(C)Cn1c(CCC(N)=O)nnc1SCc1ccccc1C(C)(C)C#N ZINC000151287578 1417916562 /nfs/dbraw/zinc/91/65/62/1417916562.db2.gz CQXWAEWRCFGMJE-UHFFFAOYSA-N 0 0 385.537 3.445 20 30 GGEDRN COc1ccc(CC(N)=NOCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000151290924 1417916973 /nfs/dbraw/zinc/91/69/73/1417916973.db2.gz NXVDPJBVKUWRQH-ZDUSSCGKSA-N 0 0 391.418 3.024 20 30 GGEDRN N#CCC[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccccc1 ZINC000151303117 1417920580 /nfs/dbraw/zinc/92/05/80/1417920580.db2.gz AFZWJJKVURDMOS-ZWKOTPCHSA-N 0 0 380.423 3.275 20 30 GGEDRN N#CCC[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2F)C1=O)c1ccccc1 ZINC000151303169 1417920676 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GGEDRN C=CCc1cc(CNC(=O)NC[C@@H](O)c2cccc(C)c2)cc(OC)c1OC ZINC000151343417 1417930693 /nfs/dbraw/zinc/93/06/93/1417930693.db2.gz ZLJMVXQYTOGOLC-LJQANCHMSA-N 0 0 384.476 3.274 20 30 GGEDRN CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000151345030 1417931125 /nfs/dbraw/zinc/93/11/25/1417931125.db2.gz MDHOWZVJXZKFMO-UHFFFAOYSA-N 0 0 378.400 3.412 20 30 GGEDRN C#Cc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)c1 ZINC000151348611 1417931875 /nfs/dbraw/zinc/93/18/75/1417931875.db2.gz GWIDHNKCZQTJHE-CQSZACIVSA-N 0 0 380.419 3.412 20 30 GGEDRN CC(C)(CO)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000151348783 1417932008 /nfs/dbraw/zinc/93/20/08/1417932008.db2.gz DHQTYGQAJBTQPP-QGZVFWFLSA-N 0 0 399.878 3.069 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000151350135 1417932337 /nfs/dbraw/zinc/93/23/37/1417932337.db2.gz RHTJAYMLSFPDEH-GFCCVEGCSA-N 0 0 399.397 3.441 20 30 GGEDRN Cc1ccc(CNC(=O)NCc2cc(C#N)ccc2F)c(O[C@@H]2CCOC2)c1 ZINC000151350873 1417932963 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C#CCCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000179044931 1429249221 /nfs/dbraw/zinc/24/92/21/1429249221.db2.gz UFEWVNIGBCWKRC-UHFFFAOYSA-N 0 0 389.458 3.276 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)C(=O)NC2(c3ccccc3)CCC2)cc1C#N ZINC000179035229 1429247042 /nfs/dbraw/zinc/24/70/42/1429247042.db2.gz PGVYBRNRRCZMTJ-UHFFFAOYSA-N 0 0 377.444 3.480 20 30 GGEDRN Cc1c(C#N)cccc1NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000179058531 1429251575 /nfs/dbraw/zinc/25/15/75/1429251575.db2.gz WPRAHKQKQGHJNZ-IBGZPJMESA-N 0 0 377.444 3.414 20 30 GGEDRN Cc1c(C#N)cccc1NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000179058521 1429251662 /nfs/dbraw/zinc/25/16/62/1429251662.db2.gz WPRAHKQKQGHJNZ-LJQANCHMSA-N 0 0 377.444 3.414 20 30 GGEDRN CCS(=O)(=O)c1ccc(CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000179065436 1429253195 /nfs/dbraw/zinc/25/31/95/1429253195.db2.gz IFSHJISOIXYBLC-UHFFFAOYSA-N 0 0 388.514 3.473 20 30 GGEDRN N#Cc1ccc(CNC(=O)NCc2ccc(COC3CCOCC3)cc2)cc1 ZINC000179064281 1429253399 /nfs/dbraw/zinc/25/33/99/1429253399.db2.gz UGVBFRDGENDSGN-UHFFFAOYSA-N 0 0 379.460 3.253 20 30 GGEDRN N#CC1(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)CCSCC1 ZINC000179086654 1429258203 /nfs/dbraw/zinc/25/82/03/1429258203.db2.gz QFBMTDGTAAJBDF-UHFFFAOYSA-N 0 0 380.469 3.202 20 30 GGEDRN Cc1noc(C)c1COc1ccc(CC(=O)NC2(C#N)CCSCC2)cc1 ZINC000179089367 1429258730 /nfs/dbraw/zinc/25/87/30/1429258730.db2.gz LAGKWVGGMLRTBT-UHFFFAOYSA-N 0 0 385.489 3.319 20 30 GGEDRN CN(Cc1ccccc1F)C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000179107836 1429265102 /nfs/dbraw/zinc/26/51/02/1429265102.db2.gz RQIJEPNJRPDMSA-UHFFFAOYSA-N 0 0 394.431 3.418 20 30 GGEDRN CC(C)Oc1cc(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)ccn1 ZINC000179129225 1429271430 /nfs/dbraw/zinc/27/14/30/1429271430.db2.gz BYCDMIIQJXDRHG-UHFFFAOYSA-N 0 0 393.491 3.162 20 30 GGEDRN Cc1ccc(N2CCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)cc1C ZINC000179147356 1429277685 /nfs/dbraw/zinc/27/76/85/1429277685.db2.gz WOWGKHZRVJHTKL-UHFFFAOYSA-N 0 0 378.476 3.238 20 30 GGEDRN C=C(Br)COC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000179155402 1429279897 /nfs/dbraw/zinc/27/98/97/1429279897.db2.gz GHPUBFCCNMJLKE-UHFFFAOYSA-N 0 0 387.031 3.095 20 30 GGEDRN C=C[C@H](CC(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1)c1ccccc1 ZINC000179154629 1429279964 /nfs/dbraw/zinc/27/99/64/1429279964.db2.gz XSDDVMDUFAMRDR-MRXNPFEDSA-N 0 0 384.501 3.303 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2cccc3ccc(OC)cc32)c1 ZINC000179160059 1429281220 /nfs/dbraw/zinc/28/12/20/1429281220.db2.gz NXIJLJOUNJGLRP-UHFFFAOYSA-N 0 0 386.451 3.469 20 30 GGEDRN CC(C)(C)O[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000179169887 1429284020 /nfs/dbraw/zinc/28/40/20/1429284020.db2.gz TUPWAQZXIKNLSP-FQEVSTJZSA-N 0 0 378.476 3.158 20 30 GGEDRN Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000179199523 1429292747 /nfs/dbraw/zinc/29/27/47/1429292747.db2.gz VGFGCGNCBSCQIE-UHFFFAOYSA-N 0 0 379.851 3.359 20 30 GGEDRN N#Cc1c2c(sc1NC(=O)c1ccn(-c3ccccc3[N+](=O)[O-])n1)CCC2 ZINC000179200758 1429293284 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GGEDRN COc1ccc(C(=O)C2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)cc1 ZINC000179271184 1429309707 /nfs/dbraw/zinc/30/97/07/1429309707.db2.gz SDYCTTLCCQFORJ-UHFFFAOYSA-N 0 0 392.455 3.262 20 30 GGEDRN C=CCN(Cc1ccccc1F)C(=O)c1cc(S(C)(=O)=O)ccc1OC ZINC000179262446 1429307941 /nfs/dbraw/zinc/30/79/41/1429307941.db2.gz NPILKIASBBUAFZ-UHFFFAOYSA-N 0 0 377.437 3.066 20 30 GGEDRN C[C@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)[C@H]1COc2ccccc21 ZINC000179285150 1429314686 /nfs/dbraw/zinc/31/46/86/1429314686.db2.gz VKQIFDWKOVLFIQ-FXAWDEMLSA-N 0 0 390.487 3.345 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000179290978 1429316640 /nfs/dbraw/zinc/31/66/40/1429316640.db2.gz HDPZKBHHDZCUQM-GOSISDBHSA-N 0 0 392.459 3.270 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179294264 1429317696 /nfs/dbraw/zinc/31/76/96/1429317696.db2.gz BEPVHGRZPRWIGQ-GOSISDBHSA-N 0 0 383.517 3.494 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000179296466 1429318482 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382.427 3.267 20 30 GGEDRN CCN(C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1ccc(C#N)c(Cl)c1 ZINC000179523931 1429409062 /nfs/dbraw/zinc/40/90/62/1429409062.db2.gz LLHXVWJCOBCEOF-MRXNPFEDSA-N 0 0 395.846 3.084 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCCC2)n1 ZINC000179526203 1429409806 /nfs/dbraw/zinc/40/98/06/1429409806.db2.gz GFMMUHCDRLFZKC-SFHVURJKSA-N 0 0 379.464 3.322 20 30 GGEDRN CCN(C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)c1ccc(C#N)c(Cl)c1 ZINC000179529985 1429412209 /nfs/dbraw/zinc/41/22/09/1429412209.db2.gz SZOBQXMXDDSHEG-UHFFFAOYSA-N 0 0 393.834 3.163 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCc3ccc(C)cc32)cc1 ZINC000179532366 1429412940 /nfs/dbraw/zinc/41/29/40/1429412940.db2.gz SLJHTHGJWLNBFX-HXUWFJFHSA-N 0 0 391.471 3.043 20 30 GGEDRN CCN(C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1ccc(C#N)c(Cl)c1 ZINC000179523941 1429409131 /nfs/dbraw/zinc/40/91/31/1429409131.db2.gz LLHXVWJCOBCEOF-INIZCTEOSA-N 0 0 395.846 3.084 20 30 GGEDRN CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1ccc(C#N)c(Cl)c1 ZINC000179533295 1429414405 /nfs/dbraw/zinc/41/44/05/1429414405.db2.gz GJVIEFARBCVKFI-UHFFFAOYSA-N 0 0 375.816 3.376 20 30 GGEDRN CC(=O)N(CCc1ccccc1)CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000179538756 1429417185 /nfs/dbraw/zinc/41/71/85/1429417185.db2.gz FAUFJFYKLJTBHW-UHFFFAOYSA-N 0 0 375.472 3.140 20 30 GGEDRN Cc1nn(CN2CCCN(c3ccccc3C#N)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000179544199 1429420541 /nfs/dbraw/zinc/42/05/41/1429420541.db2.gz IOJZSQLDIQJEIX-UHFFFAOYSA-N 0 0 390.447 3.294 20 30 GGEDRN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N[C@H](C#N)c1ccccc1Cl)C2=O ZINC000179546097 1429422788 /nfs/dbraw/zinc/42/27/88/1429422788.db2.gz WCXDVCJXVCPIIY-YVEFUNNKSA-N 0 0 381.819 3.014 20 30 GGEDRN CC(C)(C)c1cc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c(C#N)s1 ZINC000179546005 1429423221 /nfs/dbraw/zinc/42/32/21/1429423221.db2.gz KBXFTLQFXCMOMI-UHFFFAOYSA-N 0 0 388.493 3.110 20 30 GGEDRN N#C[C@@H](NC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1Cl ZINC000179554911 1429428589 /nfs/dbraw/zinc/42/85/89/1429428589.db2.gz XAHGRFCAEQSPMT-RTBURBONSA-N 0 0 387.842 3.233 20 30 GGEDRN N#C[C@@H](NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1Cl ZINC000179554935 1429428663 /nfs/dbraw/zinc/42/86/63/1429428663.db2.gz XAHGRFCAEQSPMT-MOPGFXCFSA-N 0 0 387.842 3.233 20 30 GGEDRN N#C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)c1ccccc1Cl ZINC000179556104 1429429933 /nfs/dbraw/zinc/42/99/33/1429429933.db2.gz REDKFBKYPAFTIL-IRXDYDNUSA-N 0 0 387.892 3.316 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H]2Cc2ccccc2Cl)n1 ZINC000179565371 1429438050 /nfs/dbraw/zinc/43/80/50/1429438050.db2.gz JLTUOTYJJPKSOI-INIZCTEOSA-N 0 0 399.882 3.161 20 30 GGEDRN N#Cc1ccc(NC(=O)CN[C@@H](CN2CCCC2=O)c2ccccc2)cc1Cl ZINC000179563185 1429435410 /nfs/dbraw/zinc/43/54/10/1429435410.db2.gz DAALDSQKVKDBDX-IBGZPJMESA-N 0 0 396.878 3.103 20 30 GGEDRN Cc1sc(NC(=O)CN[C@H](CN2CCCC2=O)c2ccccc2)c(C#N)c1C ZINC000179563585 1429435646 /nfs/dbraw/zinc/43/56/46/1429435646.db2.gz TZDRNEMFIZICTO-GOSISDBHSA-N 0 0 396.516 3.128 20 30 GGEDRN COC(=O)c1cccc(CCNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000179564344 1429436839 /nfs/dbraw/zinc/43/68/39/1429436839.db2.gz SUKDNACMCHXKTD-UHFFFAOYSA-N 0 0 377.444 3.262 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000179570629 1429441797 /nfs/dbraw/zinc/44/17/97/1429441797.db2.gz DRZASJXTHCQLEB-UHFFFAOYSA-N 0 0 395.434 3.152 20 30 GGEDRN Cc1ccc2c(c1)[C@@H](NC(=O)N1CCN(c3ccc(C#N)cn3)CC1)CCC2 ZINC000179578183 1429448464 /nfs/dbraw/zinc/44/84/64/1429448464.db2.gz OCIVZZVTOUEBMM-FQEVSTJZSA-N 0 0 375.476 3.171 20 30 GGEDRN Cc1ccc([C@H](CNC(=O)c2cccc(C#N)c2)NC(=O)c2cccc(C#N)c2)o1 ZINC000179579639 1429449547 /nfs/dbraw/zinc/44/95/47/1429449547.db2.gz QYJJCJPFTSWHJO-FQEVSTJZSA-N 0 0 398.422 3.232 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)N(Cc3ccccn3)C3CC3)CC2)nc1 ZINC000179579080 1429449680 /nfs/dbraw/zinc/44/96/80/1429449680.db2.gz KNQCCSHXBLLRJV-UHFFFAOYSA-N 0 0 391.475 3.412 20 30 GGEDRN CC(C)(C)c1ccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 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CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000152941375 1422303070 /nfs/dbraw/zinc/30/30/70/1422303070.db2.gz MOQLNTWJORFEIM-SFHVURJKSA-N 0 0 390.443 3.212 20 30 GGEDRN Cc1cc(-c2noc(CN(c3cccc(C#N)c3)S(C)(=O)=O)n2)ccc1F ZINC000152943683 1422303606 /nfs/dbraw/zinc/30/36/06/1422303606.db2.gz NLPKQTRAQVYVGH-UHFFFAOYSA-N 0 0 386.408 3.022 20 30 GGEDRN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000152948826 1422304924 /nfs/dbraw/zinc/30/49/24/1422304924.db2.gz XQWPOSWDOGDHQF-AWEZNQCLSA-N 0 0 383.452 3.049 20 30 GGEDRN C=CCc1cc(CNC(=O)N[C@@H](C)C[C@H](O)c2ccco2)cc(OC)c1OC ZINC000152951302 1422305454 /nfs/dbraw/zinc/30/54/54/1422305454.db2.gz QXBNJQYBGSPPML-YOEHRIQHSA-N 0 0 388.464 3.337 20 30 GGEDRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)[C@@H](C#N)C1 ZINC000152970640 1422312203 /nfs/dbraw/zinc/31/22/03/1422312203.db2.gz PZDACBKRBHUHTF-LBPRGKRZSA-N 0 0 383.370 3.290 20 30 GGEDRN COC(=O)[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1cccc(C#N)c1 ZINC000179763902 1429547137 /nfs/dbraw/zinc/54/71/37/1429547137.db2.gz RNNASYLOFPDBGN-RTWAWAEBSA-N 0 0 378.428 3.284 20 30 GGEDRN Cn1c2cccc(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)c2oc1=O ZINC000153004475 1422323082 /nfs/dbraw/zinc/32/30/82/1422323082.db2.gz KBRQLFSSYLCTMM-UHFFFAOYSA-N 0 0 376.397 3.379 20 30 GGEDRN C=CCc1ccc(OC[C@H](O)COc2ccc3ccc(=O)oc3c2)c(OC)c1 ZINC000153029620 1422333033 /nfs/dbraw/zinc/33/30/33/1422333033.db2.gz OFEYRWQLYNCCOR-QGZVFWFLSA-N 0 0 382.412 3.349 20 30 GGEDRN CC(C)c1ccc([C@H]2CCCN2C(=O)CCNC(=O)C2N=CC=CC2=O)cc1 ZINC000153034297 1422333993 /nfs/dbraw/zinc/33/39/93/1422333993.db2.gz KBTXUXVCMKXSDP-UGNPLGLKSA-N 0 0 381.476 3.390 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)c(F)c1 ZINC000153040112 1422336587 /nfs/dbraw/zinc/33/65/87/1422336587.db2.gz CTTPIHNUQRSZEJ-CQSZACIVSA-N 0 0 398.818 3.332 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ncco3)cc2)cc1 ZINC000153058330 1422341840 /nfs/dbraw/zinc/34/18/40/1422341840.db2.gz XOQBOKOKGSYJKA-UHFFFAOYSA-N 0 0 383.429 3.058 20 30 GGEDRN C=CCn1c(C2CC2)nnc1S(=O)(=O)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000153066705 1422345067 /nfs/dbraw/zinc/34/50/67/1422345067.db2.gz ZYCBTVPUZXUSFD-UHFFFAOYSA-N 0 0 387.505 3.443 20 30 GGEDRN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(N2CCCCC2=O)CC1 ZINC000153068644 1422345503 /nfs/dbraw/zinc/34/55/03/1422345503.db2.gz LPWHICYICUPLRP-CQSZACIVSA-N 0 0 388.899 3.016 20 30 GGEDRN C=CCNC(=O)c1ccccc1NCC(=O)N(C)[C@@H](C)c1ccccc1OC ZINC000153071883 1422346497 /nfs/dbraw/zinc/34/64/97/1422346497.db2.gz VVKVDBUREOESBU-INIZCTEOSA-N 0 0 381.476 3.243 20 30 GGEDRN C=CCNC(=O)c1ccccc1NCC(=O)N(C)[C@H](C)c1ccccc1OC ZINC000153072005 1422346668 /nfs/dbraw/zinc/34/66/68/1422346668.db2.gz VVKVDBUREOESBU-MRXNPFEDSA-N 0 0 381.476 3.243 20 30 GGEDRN CC(C)CN(CC(C)(C)C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000153076198 1422347993 /nfs/dbraw/zinc/34/79/93/1422347993.db2.gz YMMSQFXMMGVQNQ-SFHVURJKSA-N 0 0 398.507 3.294 20 30 GGEDRN CCOc1ccc([C@@H](C)NC(=O)CCCNc2nnc(C)c(C)c2C#N)cc1 ZINC000153076475 1422349084 /nfs/dbraw/zinc/34/90/84/1422349084.db2.gz NEACMUSQQUQEQS-MRXNPFEDSA-N 0 0 381.480 3.433 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2cnccn2)n(C)c1=S ZINC000153089717 1422352447 /nfs/dbraw/zinc/35/24/47/1422352447.db2.gz CUIIAPHYFYFNMZ-UHFFFAOYSA-N 0 0 379.493 3.149 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000153104683 1422358452 /nfs/dbraw/zinc/35/84/52/1422358452.db2.gz DTFKSJWDIZRISC-UHFFFAOYSA-N 0 0 382.851 3.396 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCCC[C@H]2C(C)C)c1C ZINC000153118423 1422363382 /nfs/dbraw/zinc/36/33/82/1422363382.db2.gz IDHNIJKPQOYSFF-IBGZPJMESA-N 0 0 393.491 3.336 20 30 GGEDRN N#Cc1cc(F)c(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c(F)c1 ZINC000153118964 1422363484 /nfs/dbraw/zinc/36/34/84/1422363484.db2.gz BBIWUCIYBWSUEW-OAHLLOKOSA-N 0 0 389.789 3.415 20 30 GGEDRN C#CCN(Cn1nc(-c2cnccn2)n(CC)c1=S)[C@H]1CCc2ccccc21 ZINC000153118932 1422363537 /nfs/dbraw/zinc/36/35/37/1422363537.db2.gz DWMPOWLQJHRIHW-IBGZPJMESA-N 0 0 390.516 3.471 20 30 GGEDRN Cc1cc(=O)c(C(=O)N[C@H](CCC#N)c2ccccc2)nn1-c1ccccc1F ZINC000153131031 1422367422 /nfs/dbraw/zinc/36/74/22/1422367422.db2.gz QPETWAFPPXJBDC-GOSISDBHSA-N 0 0 390.418 3.455 20 30 GGEDRN N#Cc1cnn(-c2ccc(C(=O)N3CCc4c([nH]c5ccccc54)C3)cc2)c1N ZINC000153134311 1422368105 /nfs/dbraw/zinc/36/81/05/1422368105.db2.gz JFPBIQQBDRIROM-UHFFFAOYSA-N 0 0 382.427 3.006 20 30 GGEDRN N#CCC[C@@H](NC(=O)CN1C(=S)N=NC1c1cccs1)c1ccccc1 ZINC000153146048 1422371578 /nfs/dbraw/zinc/37/15/78/1422371578.db2.gz NYEIOYYNHJMGNJ-CQSZACIVSA-N 0 0 383.502 3.457 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)c1 ZINC000153146424 1422371701 /nfs/dbraw/zinc/37/17/01/1422371701.db2.gz LEBPMDHAPCXKLU-UHFFFAOYSA-N 0 0 398.466 3.164 20 30 GGEDRN COc1ccc(C(=O)NCCCC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000153147789 1422372014 /nfs/dbraw/zinc/37/20/14/1422372014.db2.gz FAWPBDCMXQDGAD-FQEVSTJZSA-N 0 0 379.460 3.366 20 30 GGEDRN C=C(C)CN(CC)C(=O)C[S@@](=O)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000179775352 1429554991 /nfs/dbraw/zinc/55/49/91/1429554991.db2.gz HQQFTUXXPLIKFL-MHZLTWQESA-N 0 0 385.533 3.034 20 30 GGEDRN N#CCC[C@@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000153152050 1422373648 /nfs/dbraw/zinc/37/36/48/1422373648.db2.gz UFIUOJDSIYWVLP-GOSISDBHSA-N 0 0 376.391 3.146 20 30 GGEDRN C=CCCCN(C)C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000153178183 1422382881 /nfs/dbraw/zinc/38/28/81/1422382881.db2.gz HBBADSYNAADVRC-OAHLLOKOSA-N 0 0 385.386 3.298 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)c3noc4c3CCCCC4)C2)c(F)c1 ZINC000153187224 1422386094 /nfs/dbraw/zinc/38/60/94/1422386094.db2.gz WIXCQDKGIGMGFI-OAHLLOKOSA-N 0 0 382.439 3.353 20 30 GGEDRN CCC[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000179771608 1429551619 /nfs/dbraw/zinc/55/16/19/1429551619.db2.gz DOPBRMUQLFFWJE-SFHVURJKSA-N 0 0 395.507 3.366 20 30 GGEDRN CC(C)(C)OC(=O)N1CC(CC(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)C1 ZINC000153215753 1422396803 /nfs/dbraw/zinc/39/68/03/1422396803.db2.gz DZWVRNULZNSQLR-OAHLLOKOSA-N 0 0 376.428 3.308 20 30 GGEDRN CC(C)(C)OC(=O)N1CC(CC(=O)OC[C@H](C#N)Cc2ccc(F)cc2)C1 ZINC000153215649 1422396916 /nfs/dbraw/zinc/39/69/16/1422396916.db2.gz DZWVRNULZNSQLR-HNNXBMFYSA-N 0 0 376.428 3.308 20 30 GGEDRN CC(C)CNS(=O)(=O)c1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000153231916 1422406034 /nfs/dbraw/zinc/40/60/34/1422406034.db2.gz QOJUIWOUVRJKFN-HXUWFJFHSA-N 0 0 399.516 3.396 20 30 GGEDRN C[C@H](C(=O)[C@@H](C#N)c1nc(N)nc(Nc2ccccc2)n1)c1c(F)cccc1F ZINC000153234354 1422407635 /nfs/dbraw/zinc/40/76/35/1422407635.db2.gz DAMVMNUFRIIPKS-WCQYABFASA-N 0 0 394.385 3.456 20 30 GGEDRN C[C@H](C(=O)[C@H](C#N)c1nc(N)nc(Nc2ccccc2)n1)c1c(F)cccc1F ZINC000153234583 1422407818 /nfs/dbraw/zinc/40/78/18/1422407818.db2.gz DAMVMNUFRIIPKS-AAEUAGOBSA-N 0 0 394.385 3.456 20 30 GGEDRN CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N(C)[C@H](C)CC#N)c1 ZINC000153245259 1422415002 /nfs/dbraw/zinc/41/50/02/1422415002.db2.gz UJLOYXNFLNWODP-HUUCEWRRSA-N 0 0 380.514 3.060 20 30 GGEDRN N#Cc1ccc(CCC(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)cc1 ZINC000153248899 1422417351 /nfs/dbraw/zinc/41/73/51/1422417351.db2.gz LNUVEACRMPCZDR-UHFFFAOYSA-N 0 0 381.863 3.015 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000179772688 1429553122 /nfs/dbraw/zinc/55/31/22/1429553122.db2.gz NIUWLXCDFICLSW-OAHLLOKOSA-N 0 0 382.501 3.087 20 30 GGEDRN C=C[C@H](CC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000153250328 1422418754 /nfs/dbraw/zinc/41/87/54/1422418754.db2.gz MFHPBABIHPYYKT-LJQANCHMSA-N 0 0 378.472 3.386 20 30 GGEDRN C=CCc1ccc(OC[C@H](O)COc2ccc(-c3nnco3)cc2)c(OC)c1 ZINC000153252707 1422420212 /nfs/dbraw/zinc/42/02/12/1422420212.db2.gz NRGAYBKDQISGAO-QGZVFWFLSA-N 0 0 382.416 3.292 20 30 GGEDRN Cc1nc([C@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)no1 ZINC000153253872 1422420363 /nfs/dbraw/zinc/42/03/63/1422420363.db2.gz PZITTYJVARCJMX-AWEZNQCLSA-N 0 0 378.436 3.263 20 30 GGEDRN C=CCN1C(=S)N=NC1c1sc(NC(=O)C[C@@H]2CCCCO2)nc1C ZINC000153261957 1422425865 /nfs/dbraw/zinc/42/58/65/1422425865.db2.gz HNLRBCQAGBCPOQ-NSHDSACASA-N 0 0 379.511 3.082 20 30 GGEDRN C[C@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1ccc(-n2cccn2)cc1 ZINC000153266364 1422428459 /nfs/dbraw/zinc/42/84/59/1422428459.db2.gz SNTKUETZLZZSRG-INIZCTEOSA-N 0 0 387.443 3.278 20 30 GGEDRN Cc1cc(-c2noc(CN(c3ccc(C#N)cc3)S(C)(=O)=O)n2)ccc1F ZINC000153267068 1422429077 /nfs/dbraw/zinc/42/90/77/1422429077.db2.gz JFGUJRRPBNUHFZ-UHFFFAOYSA-N 0 0 386.408 3.022 20 30 GGEDRN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)CNc1cccc(C#N)c1 ZINC000153274836 1422433588 /nfs/dbraw/zinc/43/35/88/1422433588.db2.gz QTVAABKRYZNZON-UHFFFAOYSA-N 0 0 390.365 3.209 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)n1 ZINC000179784741 1429562124 /nfs/dbraw/zinc/56/21/24/1429562124.db2.gz ZLQHBCRXILLUQW-SUMWQHHRSA-N 0 0 383.427 3.023 20 30 GGEDRN N#CCOc1ccc(C=CC(=O)N2CCOC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000153293653 1422445867 /nfs/dbraw/zinc/44/58/67/1422445867.db2.gz SBCHIHIFUMZDBW-OJLWIZQOSA-N 0 0 390.439 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C=CCCOCCNC(=O)CSc1nc2ccccc2nc1N1CCCC1 ZINC000155521488 1423397520 /nfs/dbraw/zinc/39/75/20/1423397520.db2.gz VYRQZPJETWRPJB-UHFFFAOYSA-N 0 0 386.521 3.031 20 30 GGEDRN Cc1cccc(-n2nnnc2S[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000179918120 1429639929 /nfs/dbraw/zinc/63/99/29/1429639929.db2.gz AILAJGJJJSFYEJ-GOSISDBHSA-N 0 0 390.472 3.130 20 30 GGEDRN Cc1ccc(-n2nnnc2S[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000179918100 1429640073 /nfs/dbraw/zinc/64/00/73/1429640073.db2.gz YZDQCYXKEDQCHK-SFHVURJKSA-N 0 0 390.472 3.130 20 30 GGEDRN COCCn1c(C)c(C)nc1S[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000179919298 1429640425 /nfs/dbraw/zinc/64/04/25/1429640425.db2.gz CAIARBQCRFZVLQ-GOSISDBHSA-N 0 0 384.505 3.306 20 30 GGEDRN CC(C)(C)OC(=O)c1cccc(CN2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000179918759 1429640756 /nfs/dbraw/zinc/64/07/56/1429640756.db2.gz HQGMDXXVIIUHGS-UHFFFAOYSA-N 0 0 378.476 3.231 20 30 GGEDRN CCCOc1ccc(Cl)cc1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155586338 1423432546 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GGEDRN Cc1c(C(=O)O[C@@H]2CC[C@@H](C#N)C2)nnn1-c1cccc(Br)c1 ZINC000179920146 1429641604 /nfs/dbraw/zinc/64/16/04/1429641604.db2.gz MCAWRVYGWCFFFM-BXUZGUMPSA-N 0 0 375.226 3.187 20 30 GGEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)OCCNc1ncnc2ccccc21 ZINC000155604771 1423441081 /nfs/dbraw/zinc/44/10/81/1423441081.db2.gz KIMXNRJINXNLHY-UHFFFAOYSA-N 0 0 376.416 3.314 20 30 GGEDRN CCC(CC)(C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccccc1 ZINC000155604518 1423441300 /nfs/dbraw/zinc/44/13/00/1423441300.db2.gz FSTJLVWLGHJZJT-QGZVFWFLSA-N 0 0 377.492 3.143 20 30 GGEDRN Cc1cccc(C2(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)CCCC2)c1 ZINC000155604018 1423441527 /nfs/dbraw/zinc/44/15/27/1423441527.db2.gz DODKFHBBXSYSAY-GOSISDBHSA-N 0 0 389.503 3.206 20 30 GGEDRN CCC(CC)(C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccccc1 ZINC000155604392 1423441722 /nfs/dbraw/zinc/44/17/22/1423441722.db2.gz FSTJLVWLGHJZJT-KRWDZBQOSA-N 0 0 377.492 3.143 20 30 GGEDRN C[C@]1(c2cc(F)cc(F)c2)NC(=O)N(CCCOc2cccc(C#N)c2)C1=O ZINC000155615735 1423447691 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N#Cc1cc(NC(=O)C(=O)NCC2(c3ccc(F)cc3F)CC2)ccc1Cl ZINC000155644670 1423465299 /nfs/dbraw/zinc/46/52/99/1423465299.db2.gz HFNMMLVUMCBBDR-UHFFFAOYSA-N 0 0 389.789 3.276 20 30 GGEDRN COc1ccc2nc(C3CC3)cc(C(=O)NCC3CCN(CC#N)CC3)c2c1 ZINC000155644446 1423465321 /nfs/dbraw/zinc/46/53/21/1423465321.db2.gz ISHREFMVNCVQCF-UHFFFAOYSA-N 0 0 378.476 3.086 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000155657924 1423472174 /nfs/dbraw/zinc/47/21/74/1423472174.db2.gz HMMMVSXBYWOLGQ-AWEZNQCLSA-N 0 0 394.866 3.367 20 30 GGEDRN COc1cccc(NC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 ZINC000155665867 1423475974 /nfs/dbraw/zinc/47/59/74/1423475974.db2.gz FOTPJJQAEWKUEB-CQSZACIVSA-N 0 0 394.456 3.118 20 30 GGEDRN C[C@@H](NC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1nncn1C ZINC000155676206 1423481842 /nfs/dbraw/zinc/48/18/42/1423481842.db2.gz HDDXKRMOPHAADA-ZWNOBZJWSA-N 0 0 386.868 3.077 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1csc(-c2ccsc2)n1 ZINC000155687760 1423486820 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C=CCC(CC=C)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000158420229 1424250836 /nfs/dbraw/zinc/25/08/36/1424250836.db2.gz SUPSABDTCVMOFI-HZPDHXFCSA-N 0 0 392.521 3.191 20 30 GGEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)[C@@H](CCO)c3ccccc3)C2)n1 ZINC000158423545 1424251263 /nfs/dbraw/zinc/25/12/63/1424251263.db2.gz OZMJZCXRRPFEKB-RTWAWAEBSA-N 0 0 392.503 3.060 20 30 GGEDRN C#CCSCCNC(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 ZINC000158454979 1424259647 /nfs/dbraw/zinc/25/96/47/1424259647.db2.gz HEMBHUZUTRGAGL-UHFFFAOYSA-N 0 0 381.501 3.380 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cccnc1OCC(F)F ZINC000180047066 1429711891 /nfs/dbraw/zinc/71/18/91/1429711891.db2.gz CXIVMAKUXYBCIW-LBPRGKRZSA-N 0 0 376.363 3.338 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cccnc1OCC(F)F ZINC000180047083 1429712289 /nfs/dbraw/zinc/71/22/89/1429712289.db2.gz CXIVMAKUXYBCIW-GFCCVEGCSA-N 0 0 376.363 3.338 20 30 GGEDRN COc1ccc(CNc2cccc(-c3nnnn3C)c2)cc1OCCCC#N ZINC000158477907 1424268502 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JHZJBCGPUMDIBP-UHFFFAOYSA-N 0 0 394.303 3.467 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCc1nc(C(C)C)cs1 ZINC000158521181 1424278769 /nfs/dbraw/zinc/27/87/69/1424278769.db2.gz RQPUCJVVXGVGLN-UHFFFAOYSA-N 0 0 386.477 3.180 20 30 GGEDRN CCOC(=O)C[C@@H]1CCCN1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000158528566 1424280365 /nfs/dbraw/zinc/28/03/65/1424280365.db2.gz DYVKBELEPLKQLJ-INIZCTEOSA-N 0 0 382.382 3.184 20 30 GGEDRN Cc1cc(N2CCC(NC(=O)Nc3ccccc3O[C@@H](C)C#N)CC2)nc(C)n1 ZINC000180049164 1429713646 /nfs/dbraw/zinc/71/36/46/1429713646.db2.gz CBOHGIQYSHMCAV-HNNXBMFYSA-N 0 0 394.479 3.175 20 30 GGEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000158537819 1424283535 /nfs/dbraw/zinc/28/35/35/1424283535.db2.gz XOVUKQFRDBOULA-UHFFFAOYSA-N 0 0 396.409 3.355 20 30 GGEDRN C=CCN(CC=C)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000158568649 1424291630 /nfs/dbraw/zinc/29/16/30/1424291630.db2.gz YEEIJHDYVFBCLM-GOSISDBHSA-N 0 0 397.441 3.462 20 30 GGEDRN COc1cc([C@@H](C#N)NC(=O)C2(c3ccccc3C)CC2)cc(OC)c1OC ZINC000158569444 1424291664 /nfs/dbraw/zinc/29/16/64/1424291664.db2.gz HEMDZODUSKEVOP-QGZVFWFLSA-N 0 0 380.444 3.434 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000180040769 1429709270 /nfs/dbraw/zinc/70/92/70/1429709270.db2.gz KZRGIMBGHOIBSA-HNNXBMFYSA-N 0 0 398.438 3.275 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000158602982 1424299856 /nfs/dbraw/zinc/29/98/56/1424299856.db2.gz OEQBLKGKUVZJNQ-UHFFFAOYSA-N 0 0 394.357 3.003 20 30 GGEDRN C=C[C@@H](CC(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccccc1 ZINC000158638394 1424307146 /nfs/dbraw/zinc/30/71/46/1424307146.db2.gz YIZAOZLRKNCBES-GHTZIAJQSA-N 0 0 377.488 3.435 20 30 GGEDRN CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cc(F)ccc1C#N ZINC000158680329 1424316899 /nfs/dbraw/zinc/31/68/99/1424316899.db2.gz GIGQCIWOSCZYTQ-UHFFFAOYSA-N 0 0 376.453 3.002 20 30 GGEDRN N#Cc1cccc(SCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000158703890 1424323009 /nfs/dbraw/zinc/32/30/09/1424323009.db2.gz INYFABCQVVMGSP-UHFFFAOYSA-N 0 0 379.485 3.203 20 30 GGEDRN N#Cc1cccc(SCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000158717197 1424326321 /nfs/dbraw/zinc/32/63/21/1424326321.db2.gz ZFVGAXFTVVCBRZ-HXUWFJFHSA-N 0 0 394.475 3.199 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC000158726050 1424327861 /nfs/dbraw/zinc/32/78/61/1424327861.db2.gz AFDOYRORVJIEAY-HNNXBMFYSA-N 0 0 387.867 3.202 20 30 GGEDRN CC(C)CCn1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc32)nn1 ZINC000158726235 1424328158 /nfs/dbraw/zinc/32/81/58/1424328158.db2.gz LNUWSVWJCWFYGI-QGZVFWFLSA-N 0 0 375.432 3.439 20 30 GGEDRN C[C@H]1CCCN(C(=O)C2CCN(C(=O)CSc3cccc(C#N)c3)CC2)C1 ZINC000158730606 1424329097 /nfs/dbraw/zinc/32/90/97/1424329097.db2.gz RLOIRHLVSIRSCB-INIZCTEOSA-N 0 0 385.533 3.147 20 30 GGEDRN CC(C)N(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000158753111 1424334418 /nfs/dbraw/zinc/33/44/18/1424334418.db2.gz OYTULHVZMKRERZ-UHFFFAOYSA-N 0 0 391.880 3.493 20 30 GGEDRN CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000158755520 1424335159 /nfs/dbraw/zinc/33/51/59/1424335159.db2.gz MTWJIDYFHQEHAC-UHFFFAOYSA-N 0 0 398.362 3.126 20 30 GGEDRN CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000158759400 1424335616 /nfs/dbraw/zinc/33/56/16/1424335616.db2.gz CBFDGLQFXIFNJP-SUMWQHHRSA-N 0 0 383.408 3.042 20 30 GGEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(Cc1ccncc1)C1CC1 ZINC000158758082 1424335639 /nfs/dbraw/zinc/33/56/39/1424335639.db2.gz QEBJZXGQJPKLOW-UHFFFAOYSA-N 0 0 381.379 3.325 20 30 GGEDRN N#Cc1ccccc1OCC(=O)OCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000158784450 1424341752 /nfs/dbraw/zinc/34/17/52/1424341752.db2.gz AFMIOGDCRCCENK-UHFFFAOYSA-N 0 0 386.770 3.054 20 30 GGEDRN C#CCOCCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000158795779 1424343813 /nfs/dbraw/zinc/34/38/13/1424343813.db2.gz QAUNMAUZOQTBRE-UHFFFAOYSA-N 0 0 386.473 3.083 20 30 GGEDRN CN1c2ccc(S(=O)(=O)N(CCC#N)CC(C)(C)C)c3cccc(c23)C1=O ZINC000158807014 1424347877 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GGEDRN N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC000161085855 1424656784 /nfs/dbraw/zinc/65/67/84/1424656784.db2.gz LUDAQGGOIDICRV-UHFFFAOYSA-N 0 0 399.466 3.389 20 30 GGEDRN Cc1cccc2c1CC[C@H]2NC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000161081209 1424656904 /nfs/dbraw/zinc/65/69/04/1424656904.db2.gz VKFIZNKFIQEXEB-LJQANCHMSA-N 0 0 377.444 3.396 20 30 GGEDRN C#CCOc1ccc(NC(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000161097152 1424658173 /nfs/dbraw/zinc/65/81/73/1424658173.db2.gz XLOSLYROYQFILY-UHFFFAOYSA-N 0 0 377.444 3.266 20 30 GGEDRN COc1ccc(CCCN(C)S(=O)(=O)Cc2cc(C#N)ccc2F)cc1 ZINC000161088115 1424658240 /nfs/dbraw/zinc/65/82/40/1424658240.db2.gz DFWYKLGWAIAKCD-UHFFFAOYSA-N 0 0 376.453 3.100 20 30 GGEDRN C=C(C)CNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C ZINC000161098804 1424658911 /nfs/dbraw/zinc/65/89/11/1424658911.db2.gz MGEFTIGPOYBSAB-UHFFFAOYSA-N 0 0 388.489 3.135 20 30 GGEDRN Cc1cnn(-c2ccc(S(=O)(=O)N[C@H](C#N)C3CCCCC3)cc2F)c1 ZINC000161121482 1424659579 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1425834600 /nfs/dbraw/zinc/83/46/00/1425834600.db2.gz GOVLKILNYDQVNS-OAHLLOKOSA-N 0 0 377.444 3.479 20 30 GGEDRN N#CCOc1ccc(CC(=O)NCCOc2cccc(C(F)(F)F)c2)cc1 ZINC000171849862 1425834621 /nfs/dbraw/zinc/83/46/21/1425834621.db2.gz TZUQMKNMDVGKMF-UHFFFAOYSA-N 0 0 378.350 3.345 20 30 GGEDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)CCCCOc1cccc(C#N)c1 ZINC000171852639 1425835434 /nfs/dbraw/zinc/83/54/34/1425835434.db2.gz DUUBXSWBUACSIP-UHFFFAOYSA-N 0 0 383.404 3.341 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000171858837 1425836619 /nfs/dbraw/zinc/83/66/19/1425836619.db2.gz GZJXVLZLJOHNRV-AWEZNQCLSA-N 0 0 384.417 3.080 20 30 GGEDRN N#Cc1cccc(OCCCCC(=O)Nc2ccn(Cc3ccncc3)n2)c1 ZINC000171860192 1425837209 /nfs/dbraw/zinc/83/72/09/1425837209.db2.gz QTSGFKMPFREAOW-UHFFFAOYSA-N 0 0 375.432 3.386 20 30 GGEDRN N#Cc1cccc(OCCCCC(=O)NCCCc2nnc3n2CCCCC3)c1 ZINC000171869456 1425838997 /nfs/dbraw/zinc/83/89/97/1425838997.db2.gz PDQNBWRVVVLJME-UHFFFAOYSA-N 0 0 395.507 3.174 20 30 GGEDRN C[C@@H](CC1CC1)NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000171874202 1425840338 /nfs/dbraw/zinc/84/03/38/1425840338.db2.gz ZBNWJWCCXZIERN-HNNXBMFYSA-N 0 0 377.444 3.381 20 30 GGEDRN COc1cccc([C@@H](O)CNC(=O)c2ccc(COc3ccccc3C#N)o2)c1 ZINC000171875513 1425840745 /nfs/dbraw/zinc/84/07/45/1425840745.db2.gz OSOXJVXBGBFNFA-IBGZPJMESA-N 0 0 392.411 3.202 20 30 GGEDRN C=CC1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)CC1 ZINC000171882151 1425842053 /nfs/dbraw/zinc/84/20/53/1425842053.db2.gz MNCCAISQZZYBRJ-UHFFFAOYSA-N 0 0 390.395 3.408 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)NCCCC(=O)N1CCc2ccccc21 ZINC000171891770 1425845072 /nfs/dbraw/zinc/84/50/72/1425845072.db2.gz OZIGVLCCVRBLHI-UHFFFAOYSA-N 0 0 392.459 3.448 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000171891774 1425845200 /nfs/dbraw/zinc/84/52/00/1425845200.db2.gz YCDFXLOYNCQIIE-UHFFFAOYSA-N 0 0 384.411 3.038 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)NCCCCN1C(=O)c2ccccc2C1=O ZINC000171892072 1425845808 /nfs/dbraw/zinc/84/58/08/1425845808.db2.gz POUYWATVWUQUNP-UHFFFAOYSA-N 0 0 376.416 3.065 20 30 GGEDRN CC(C)c1ccc([C@@H](NC(=O)NCCNC(=O)C2N=CC=CC2=O)C(C)C)cc1 ZINC000171898970 1425847355 /nfs/dbraw/zinc/84/73/55/1425847355.db2.gz UTKGNWSQQNEAFZ-WCZGFUKNSA-N 0 0 398.507 3.333 20 30 GGEDRN CN(C(=O)NCc1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000171900626 1425847404 /nfs/dbraw/zinc/84/74/04/1425847404.db2.gz NDKBKIFBDXCHMH-GOSISDBHSA-N 0 0 382.851 3.159 20 30 GGEDRN CN(C)C(=O)COc1ccc(C(=O)C=Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000171909773 1425850015 /nfs/dbraw/zinc/85/00/15/1425850015.db2.gz XRCWHZIAZSEFSN-OUKQBFOZSA-N 0 0 375.428 3.440 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000171916551 1425851966 /nfs/dbraw/zinc/85/19/66/1425851966.db2.gz QOFCFXAOPOYJPR-OAHLLOKOSA-N 0 0 382.395 3.023 20 30 GGEDRN CCOC(=O)[C@H](Cc1ccccc1)N(C)CCC(=O)Nc1sccc1C#N ZINC000171920176 1425852601 /nfs/dbraw/zinc/85/26/01/1425852601.db2.gz PZJZCSQLIVIMGD-KRWDZBQOSA-N 0 0 385.489 3.055 20 30 GGEDRN Cc1ccccc1[C@H](O)CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000171927332 1425854542 /nfs/dbraw/zinc/85/45/42/1425854542.db2.gz NJNBNLGKQBLYDM-GOSISDBHSA-N 0 0 376.378 3.398 20 30 GGEDRN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1OCC ZINC000171940533 1425857384 /nfs/dbraw/zinc/85/73/84/1425857384.db2.gz KEXPJXBDPCOKFA-GOSISDBHSA-N 0 0 379.460 3.423 20 30 GGEDRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)Cc1ccc(C#N)cc1)C1CC1 ZINC000171941794 1425858044 /nfs/dbraw/zinc/85/80/44/1425858044.db2.gz RWQLTIKIJVTKMW-OAQYLSRUSA-N 0 0 376.456 3.266 20 30 GGEDRN CN(C[C@@H]1COc2ccccc2O1)C(=O)CCCCOc1cccc(C#N)c1 ZINC000171945918 1425858669 /nfs/dbraw/zinc/85/86/69/1425858669.db2.gz QQDGMWVGZZAAOS-LJQANCHMSA-N 0 0 380.444 3.406 20 30 GGEDRN C=CCN(CC1CCCCC1)C(=O)CCC(=O)N1CC(=O)Nc2ccccc21 ZINC000171947514 1425859138 /nfs/dbraw/zinc/85/91/38/1425859138.db2.gz VKZXWJHCVLKQJQ-UHFFFAOYSA-N 0 0 383.492 3.347 20 30 GGEDRN N#Cc1ccc(-n2nccc2NC(=O)CCc2nnc(-c3ccccc3)o2)cc1 ZINC000171950152 1425859659 /nfs/dbraw/zinc/85/96/59/1425859659.db2.gz BQNDJVDNOUFMDP-UHFFFAOYSA-N 0 0 384.399 3.365 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)CC1 ZINC000171965367 1425863802 /nfs/dbraw/zinc/86/38/02/1425863802.db2.gz YZVZVVAEWDMDNP-CVEARBPZSA-N 0 0 385.389 3.428 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(c2cc(CC)ncn2)C1 ZINC000171969121 1425864932 /nfs/dbraw/zinc/86/49/32/1425864932.db2.gz AZGJUXNWHHBRRK-QGZVFWFLSA-N 0 0 394.479 3.100 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)cc1 ZINC000171985069 1425867679 /nfs/dbraw/zinc/86/76/79/1425867679.db2.gz REORAXQEDQVXKT-UHFFFAOYSA-N 0 0 386.473 3.192 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)COc2ccc(F)cc2F)ccc1OC ZINC000172007574 1425872015 /nfs/dbraw/zinc/87/20/15/1425872015.db2.gz IXWFMIFIFYOIMQ-HNNXBMFYSA-N 0 0 390.386 3.350 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)Cn2c(C)nc3ccccc32)ccc1OC ZINC000172007404 1425872017 /nfs/dbraw/zinc/87/20/17/1425872017.db2.gz SANKEPSVFOUBFV-QGZVFWFLSA-N 0 0 392.459 3.351 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H]2COc3ccccc3C2)ccc1OC ZINC000172007584 1425872055 /nfs/dbraw/zinc/87/20/55/1425872055.db2.gz QQVVHYMDBUUFMH-MSOLQXFVSA-N 0 0 380.444 3.244 20 30 GGEDRN C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000172018472 1425875084 /nfs/dbraw/zinc/87/50/84/1425875084.db2.gz KNIUMJNUPWLUKQ-UHFFFAOYSA-N 0 0 388.464 3.112 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172018338 1425875218 /nfs/dbraw/zinc/87/52/18/1425875218.db2.gz JROAIYKMTIFTSB-UHFFFAOYSA-N 0 0 376.434 3.289 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000172018913 1425875222 /nfs/dbraw/zinc/87/52/22/1425875222.db2.gz UKTFBASWZULIRV-UHFFFAOYSA-N 0 0 389.397 3.165 20 30 GGEDRN COC(=O)c1ccc(C)c(NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 ZINC000172021682 1425876220 /nfs/dbraw/zinc/87/62/20/1425876220.db2.gz FFLDGKYZTVKFJE-IBGZPJMESA-N 0 0 392.459 3.024 20 30 GGEDRN CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)cc1 ZINC000172025041 1425876870 /nfs/dbraw/zinc/87/68/70/1425876870.db2.gz LAERNHBDMDTYLX-KRWDZBQOSA-N 0 0 391.880 3.021 20 30 GGEDRN N#C[C@H](NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccccc1Cl ZINC000172026376 1425877212 /nfs/dbraw/zinc/87/72/12/1425877212.db2.gz YDBJHLLYWUGKPT-IBGZPJMESA-N 0 0 394.862 3.438 20 30 GGEDRN N#C[C@@H](NC(=O)CCC(=O)N1CCc2sccc2C1)c1ccccc1Cl ZINC000172026432 1425877219 /nfs/dbraw/zinc/87/72/19/1425877219.db2.gz XNPHVBRWDWLFQU-MRXNPFEDSA-N 0 0 387.892 3.447 20 30 GGEDRN CCOC(=O)c1cc(C(=O)N[C@@H](C#N)c2ccccc2Cl)cc([N+](=O)[O-])c1 ZINC000172027953 1425877732 /nfs/dbraw/zinc/87/77/32/1425877732.db2.gz FYOWNSBGUIPRIG-INIZCTEOSA-N 0 0 387.779 3.420 20 30 GGEDRN N#CCCCCNC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000172028429 1425877765 /nfs/dbraw/zinc/87/77/65/1425877765.db2.gz UXQRJTBGRUNIFK-HNNXBMFYSA-N 0 0 375.448 3.063 20 30 GGEDRN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@H](C#N)c2ccccc2Cl)c1 ZINC000172027206 1425877841 /nfs/dbraw/zinc/87/78/41/1425877841.db2.gz GLTCWKWPWOTTLZ-GOSISDBHSA-N 0 0 384.823 3.251 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1ccccc1Cl ZINC000172029996 1425878094 /nfs/dbraw/zinc/87/80/94/1425878094.db2.gz ZDJSSQYJEYTXFY-QGZVFWFLSA-N 0 0 382.782 3.020 20 30 GGEDRN C[C@@H](CC(=O)N[C@@H](C#N)c1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000172031034 1425878698 /nfs/dbraw/zinc/87/86/98/1425878698.db2.gz WGXAIXLQGRKHEW-SJCJKPOMSA-N 0 0 394.855 3.412 20 30 GGEDRN C[C@@H](CC(=O)N[C@H](C#N)c1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000172031041 1425878833 /nfs/dbraw/zinc/87/88/33/1425878833.db2.gz WGXAIXLQGRKHEW-YVEFUNNKSA-N 0 0 394.855 3.412 20 30 GGEDRN COc1ccc(CN2C[C@@H](C(=O)N[C@H](C#N)c3ccccc3Cl)CC2=O)cc1 ZINC000172031138 1425878914 /nfs/dbraw/zinc/87/89/14/1425878914.db2.gz HSAGHFHXIVTBDS-HNAYVOBHSA-N 0 0 397.862 3.078 20 30 GGEDRN COc1ccc([C@H](CC(=O)N[C@@H](C#N)c2ccccc2Cl)NC(C)=O)cc1 ZINC000172033861 1425879223 /nfs/dbraw/zinc/87/92/23/1425879223.db2.gz ZVDOGUNPMINEKJ-OALUTQOASA-N 0 0 385.851 3.297 20 30 GGEDRN C[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)cc1Cl ZINC000172042866 1425880853 /nfs/dbraw/zinc/88/08/53/1425880853.db2.gz PKUPZBQXUDOMLR-PXSDHIKXSA-N 0 0 382.247 3.087 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H](C)N2CCc3ccccc32)ccc1OC ZINC000172047148 1425881418 /nfs/dbraw/zinc/88/14/18/1425881418.db2.gz FMYHQSQHZFEKDR-APWZRJJASA-N 0 0 393.487 3.444 20 30 GGEDRN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000172048324 1425881822 /nfs/dbraw/zinc/88/18/22/1425881822.db2.gz JJMODHYSPMUVLG-PVAXWEITSA-N 0 0 396.274 3.429 20 30 GGEDRN Cc1nc(-c2cnn(C)c2)sc1C(=O)NCCSCc1ccccc1C#N ZINC000172052204 1425883006 /nfs/dbraw/zinc/88/30/06/1425883006.db2.gz OEFQMZNQGVVTOL-UHFFFAOYSA-N 0 0 397.529 3.387 20 30 GGEDRN COC(=O)[C@H]1CCCCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000172055668 1425883940 /nfs/dbraw/zinc/88/39/40/1425883940.db2.gz DYARWIXPFOAJKA-HXUWFJFHSA-N 0 0 378.428 3.305 20 30 GGEDRN C[C@H](CS(C)(=O)=O)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000172054576 1425884039 /nfs/dbraw/zinc/88/40/39/1425884039.db2.gz RAABKRWCPSDGAG-CQSZACIVSA-N 0 0 388.514 3.013 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)NC[C@@](C)(O)c1ccc(F)cc1F ZINC000172059917 1425885528 /nfs/dbraw/zinc/88/55/28/1425885528.db2.gz DZEUSXJDKIZKEX-LJQANCHMSA-N 0 0 375.375 3.264 20 30 GGEDRN C[C@@](O)(CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000172067351 1425888136 /nfs/dbraw/zinc/88/81/36/1425888136.db2.gz SYLRDQVUXQHHGI-LJQANCHMSA-N 0 0 376.378 3.264 20 30 GGEDRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(C#N)cc1 ZINC000172087732 1425893955 /nfs/dbraw/zinc/89/39/55/1425893955.db2.gz OXYJLJIBQUJDAX-IBGZPJMESA-N 0 0 377.444 3.048 20 30 GGEDRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccc(CC#N)c1 ZINC000172087036 1425894029 /nfs/dbraw/zinc/89/40/29/1425894029.db2.gz MJXVVGLTRIMYRF-IBGZPJMESA-N 0 0 377.444 3.313 20 30 GGEDRN C=C(Br)COC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000172098989 1425896089 /nfs/dbraw/zinc/89/60/89/1425896089.db2.gz IFQNXELLBHBXCC-GOEBONIOSA-N 0 0 382.254 3.057 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)Cc2cccc(C)c2)ccc1OC ZINC000172106603 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3.378 20 30 GGEDRN CS(=O)(=O)C1CCC(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000172675384 1426138456 /nfs/dbraw/zinc/13/84/56/1426138456.db2.gz SLHLHTVVHPPFRJ-UHFFFAOYSA-N 0 0 398.484 3.436 20 30 GGEDRN N#Cc1ccccc1SCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000172680461 1426140486 /nfs/dbraw/zinc/14/04/86/1426140486.db2.gz BRFQDLFTRLLATQ-UHFFFAOYSA-N 0 0 380.473 3.027 20 30 GGEDRN Cc1nc(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)ccc1C#N ZINC000172684131 1426142221 /nfs/dbraw/zinc/14/22/21/1426142221.db2.gz DHFFWRNETMQQDE-UHFFFAOYSA-N 0 0 384.745 3.138 20 30 GGEDRN CC[C@H]1CN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c2ccccc2O1 ZINC000172689817 1426144491 /nfs/dbraw/zinc/14/44/91/1426144491.db2.gz IPWNMOWQYGXFDZ-KRWDZBQOSA-N 0 0 389.459 3.355 20 30 GGEDRN C[C@@](O)(CNC(=O)NCCSCc1ccccc1C#N)c1ccsc1 ZINC000172692430 1426145524 /nfs/dbraw/zinc/14/55/24/1426145524.db2.gz LWIXAFSJXOCJDZ-GOSISDBHSA-N 0 0 375.519 3.060 20 30 GGEDRN C[C@](O)(CNC(=O)NCCSCc1ccccc1C#N)c1ccsc1 ZINC000172692433 1426145688 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GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000172753736 1426173595 /nfs/dbraw/zinc/17/35/95/1426173595.db2.gz VTEKKTPEPCQFSU-HSZRJFAPSA-N 0 0 375.472 3.459 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000172752764 1426173686 /nfs/dbraw/zinc/17/36/86/1426173686.db2.gz HAYGEHRNPPEDFL-QHCPKHFHSA-N 0 0 375.472 3.459 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000172753729 1426173740 /nfs/dbraw/zinc/17/37/40/1426173740.db2.gz VTEKKTPEPCQFSU-QHCPKHFHSA-N 0 0 375.472 3.459 20 30 GGEDRN CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000172755789 1426174313 /nfs/dbraw/zinc/17/43/13/1426174313.db2.gz SWURYUDFVFQUKZ-DYESRHJHSA-N 0 0 390.487 3.415 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1-c1nc(C)no1 ZINC000172756375 1426174334 /nfs/dbraw/zinc/17/43/34/1426174334.db2.gz QOTCBRGTASJXOY-UHFFFAOYSA-N 0 0 376.416 3.206 20 30 GGEDRN CCN(C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000172755794 1426174384 /nfs/dbraw/zinc/17/43/84/1426174384.db2.gz SWURYUDFVFQUKZ-UWJYYQICSA-N 0 0 390.487 3.415 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)Cc2ccc3oc(C(=O)OC)cc3c2)c1 ZINC000172756263 1426174573 /nfs/dbraw/zinc/17/45/73/1426174573.db2.gz GVTFKBHSRJDQKX-UHFFFAOYSA-N 0 0 376.412 3.271 20 30 GGEDRN C[C@@H](O)C[C@H](C)CNc1cc(NC[C@H](C)C[C@H](C)O)cc(C#N)c1[N+](=O)[O-] ZINC000172763184 1426177148 /nfs/dbraw/zinc/17/71/48/1426177148.db2.gz PXBMTOKSKMQCBE-CBBWQLFWSA-N 0 0 378.473 3.104 20 30 GGEDRN C[C@@H]1CCC[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 ZINC000172777412 1426183081 /nfs/dbraw/zinc/18/30/81/1426183081.db2.gz LPVCQDXIKBMSGD-WKUDHBJBSA-N 0 0 377.510 3.264 20 30 GGEDRN COCCOC[C@@H]1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000172783448 1426185949 /nfs/dbraw/zinc/18/59/49/1426185949.db2.gz KGCTUNRDWNYXBF-CYBMUJFWSA-N 0 0 377.391 3.197 20 30 GGEDRN CC(C)(C)C(=O)Cn1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)nn1 ZINC000172797201 1426193438 /nfs/dbraw/zinc/19/34/38/1426193438.db2.gz WJEXPDPCBVFRSW-GFCCVEGCSA-N 0 0 394.262 3.195 20 30 GGEDRN N#Cc1ccc(Oc2cccc(C(=O)N3CCN(Cc4ccon4)CC3)c2)cc1 ZINC000172803290 1426196299 /nfs/dbraw/zinc/19/62/99/1426196299.db2.gz SQZOZCHYXLBJTC-UHFFFAOYSA-N 0 0 388.427 3.297 20 30 GGEDRN CCCNC(=O)c1cccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)c1 ZINC000172829877 1426208043 /nfs/dbraw/zinc/20/80/43/1426208043.db2.gz CCOOVZXWKWTEQL-UHFFFAOYSA-N 0 0 390.487 3.051 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000172849815 1426219014 /nfs/dbraw/zinc/21/90/14/1426219014.db2.gz SNAVAODERRGMGW-LSDHHAIUSA-N 0 0 385.389 3.428 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1 ZINC000172860693 1426225957 /nfs/dbraw/zinc/22/59/57/1426225957.db2.gz CSVSPXVDECBOBP-GOSISDBHSA-N 0 0 379.460 3.039 20 30 GGEDRN N#Cc1ccc(OCCCN2CCN(c3ncnc4ccsc43)CC2)cc1 ZINC000172865941 1426228897 /nfs/dbraw/zinc/22/88/97/1426228897.db2.gz RDLGKHIBGRIMNV-UHFFFAOYSA-N 0 0 379.489 3.154 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1Cl ZINC000172870016 1426231574 /nfs/dbraw/zinc/23/15/74/1426231574.db2.gz XNGYRQUTEVWEAF-MRXNPFEDSA-N 0 0 397.862 3.215 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000172872315 1426232294 /nfs/dbraw/zinc/23/22/94/1426232294.db2.gz VAEJSTPPMGOBDL-SFHVURJKSA-N 0 0 392.459 3.231 20 30 GGEDRN C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)Oc1cccc(Cl)c1 ZINC000172875382 1426234069 /nfs/dbraw/zinc/23/40/69/1426234069.db2.gz LRUIBVJDVQDJQE-CYBMUJFWSA-N 0 0 395.850 3.177 20 30 GGEDRN COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C)cc1C#N ZINC000172880961 1426236457 /nfs/dbraw/zinc/23/64/57/1426236457.db2.gz ZZHPPMTUZOAPIC-LJQANCHMSA-N 0 0 392.484 3.307 20 30 GGEDRN COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(F)c2)cc1C#N ZINC000172881071 1426237210 /nfs/dbraw/zinc/23/72/10/1426237210.db2.gz YOXPEJBMCSSHOY-SFHVURJKSA-N 0 0 396.447 3.137 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NCc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000172889153 1426240780 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GGEDRN C#CCCCNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl ZINC000172926288 1426266594 /nfs/dbraw/zinc/26/65/94/1426266594.db2.gz PVDFUCRLDIFNSV-UHFFFAOYSA-N 0 0 390.892 3.308 20 30 GGEDRN C#CCOc1ccc(F)cc1NCC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000172925333 1426266710 /nfs/dbraw/zinc/26/67/10/1426266710.db2.gz PMQLSJQMGKEHOX-UHFFFAOYSA-N 0 0 399.813 3.122 20 30 GGEDRN C#CCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000172926327 1426266736 /nfs/dbraw/zinc/26/67/36/1426266736.db2.gz DCHQVTIKWCJZAL-UHFFFAOYSA-N 0 0 376.865 3.284 20 30 GGEDRN C#CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000172928374 1426267189 /nfs/dbraw/zinc/26/71/89/1426267189.db2.gz CVRHWKDHQXTODH-UQQXROCHSA-N 0 0 392.543 3.460 20 30 GGEDRN C#CCCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl ZINC000172929977 1426269689 /nfs/dbraw/zinc/26/96/89/1426269689.db2.gz UGZFLXNPRRAZFE-UHFFFAOYSA-N 0 0 394.855 3.423 20 30 GGEDRN COCCCOc1cccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000172932065 1426270253 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CC(C)OC(=O)[C@H](C)CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000173003329 1426304140 /nfs/dbraw/zinc/30/41/40/1426304140.db2.gz HWMCTSSQTXBARW-MRXNPFEDSA-N 0 0 380.444 3.455 20 30 GGEDRN COC(=O)c1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)CC(F)F)cc2)o1 ZINC000173018994 1426310169 /nfs/dbraw/zinc/31/01/69/1426310169.db2.gz KNRMYRCKBQIHHY-XBXARRHUSA-N 0 0 384.356 3.001 20 30 GGEDRN COCCOCc1cc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)ccc1F ZINC000173029249 1426315137 /nfs/dbraw/zinc/31/51/37/1426315137.db2.gz ISAJAKZDBLRLFO-UHFFFAOYSA-N 0 0 394.406 3.298 20 30 GGEDRN C[C@H](C(=O)Nc1cc(C#N)ccc1OC(F)F)n1nnc(-c2ccccc2)n1 ZINC000173042488 1426320060 /nfs/dbraw/zinc/32/00/60/1426320060.db2.gz YQIKMMVJHMMOMA-LLVKDONJSA-N 0 0 384.346 3.013 20 30 GGEDRN CN(CC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000173042473 1426320354 /nfs/dbraw/zinc/32/03/54/1426320354.db2.gz UQICAEITZKZEAO-UHFFFAOYSA-N 0 0 376.319 3.143 20 30 GGEDRN CCCNc1ccc(C#N)cc1NC(=O)CCn1cnc2c(C)cccc2c1=O ZINC000173042770 1426320361 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COc1ccc(Cl)cc1NCCC(=O)[C@@H](C#N)c1nnc2n1CCCCC2 ZINC000174009225 1426940564 /nfs/dbraw/zinc/94/05/64/1426940564.db2.gz CHTQJZXWFIVERC-CQSZACIVSA-N 0 0 387.871 3.345 20 30 GGEDRN CC(C)=CC(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1 ZINC000174008517 1426940774 /nfs/dbraw/zinc/94/07/74/1426940774.db2.gz GFBGGZJDVPXCFR-GOSISDBHSA-N 0 0 391.475 3.077 20 30 GGEDRN COc1ccc(-c2ncc(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)s2)cc1 ZINC000174011291 1426942130 /nfs/dbraw/zinc/94/21/30/1426942130.db2.gz IUCGAAJKSFLMRP-AWEZNQCLSA-N 0 0 378.413 3.175 20 30 GGEDRN CC(C)CC(=O)Nc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc1F ZINC000174011404 1426942233 /nfs/dbraw/zinc/94/22/33/1426942233.db2.gz OPZVNGZWSMUFBB-AWEZNQCLSA-N 0 0 382.395 3.166 20 30 GGEDRN CC(C)n1cc(Br)cc1C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000174011232 1426942740 /nfs/dbraw/zinc/94/27/40/1426942740.db2.gz VBLZHCOVKVUXBY-GFCCVEGCSA-N 0 0 375.226 3.188 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000174021093 1426948490 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CC(C)(C)OC(=O)N1CCC(CNC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000174031136 1426955303 /nfs/dbraw/zinc/95/53/03/1426955303.db2.gz SZDTWYWKYHTPLF-UHFFFAOYSA-N 0 0 390.459 3.144 20 30 GGEDRN C=CCn1c(S[C@H](C)c2nc(-c3nc[nH]n3)no2)nnc1-c1ccoc1C ZINC000174033434 1426957033 /nfs/dbraw/zinc/95/70/33/1426957033.db2.gz UFENFDAJDAISKO-SNVBAGLBSA-N 0 0 384.425 3.054 20 30 GGEDRN C[C@@H](Nc1ccc2c(c1)oc(=O)n2C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000174051437 1426973072 /nfs/dbraw/zinc/97/30/72/1426973072.db2.gz GUOFAOMEXUAHFC-CYBMUJFWSA-N 0 0 382.395 3.018 20 30 GGEDRN C[C@@H](Nc1ccc2c(c1)CCC(=O)N2C)C(=O)N(CCC#N)c1ccccc1 ZINC000174058665 1426977974 /nfs/dbraw/zinc/97/79/74/1426977974.db2.gz KGCUQDMHBNOHDC-MRXNPFEDSA-N 0 0 376.460 3.343 20 30 GGEDRN COc1ccc([C@H]2[C@H](C(=O)OCC#Cc3ccccc3)CCC(=O)N2C)cc1 ZINC000174066496 1426983693 /nfs/dbraw/zinc/98/36/93/1426983693.db2.gz XABJYMVQXGCCBW-IRLDBZIGSA-N 0 0 377.440 3.200 20 30 GGEDRN CC1(C)[C@@H]2CN(C(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)C[C@@H]21 ZINC000174069425 1426985669 /nfs/dbraw/zinc/98/56/69/1426985669.db2.gz NAAABPCKELOZDB-GASCZTMLSA-N 0 0 380.448 3.137 20 30 GGEDRN CCCCCC[C@]1(C)NC(=O)N(Cc2nnc(-c3ccc(C#N)cc3)o2)C1=O ZINC000174069475 1426985792 /nfs/dbraw/zinc/98/57/92/1426985792.db2.gz NTFGQCBRYIBUQU-FQEVSTJZSA-N 0 0 381.436 3.389 20 30 GGEDRN CCN(C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)c1ccc(C#N)cc1 ZINC000174069686 1426985811 /nfs/dbraw/zinc/98/58/11/1426985811.db2.gz XPOAULQYZASGCE-UHFFFAOYSA-N 0 0 378.407 3.229 20 30 GGEDRN CCN(C(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1)c1ccc(C#N)cc1 ZINC000174074072 1426987922 /nfs/dbraw/zinc/98/79/22/1426987922.db2.gz ZAQWJVGAOGUNAM-KRWDZBQOSA-N 0 0 377.444 3.281 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)C[C@H](C)C(=O)c2cccc(F)c2)c1 ZINC000174073439 1426988152 /nfs/dbraw/zinc/98/81/52/1426988152.db2.gz HDRFQGIXXOXIIC-HNNXBMFYSA-N 0 0 380.419 3.113 20 30 GGEDRN Cc1ccc(CN(C(=O)CN2C(=O)CS/C2=C\C(=O)C(C)(C)C)C2CC2)o1 ZINC000174077758 1426990082 /nfs/dbraw/zinc/99/00/82/1426990082.db2.gz MSGGWDXJOCQNFJ-OCKHKDLRSA-N 0 0 390.505 3.111 20 30 GGEDRN C=CCc1cc(C(=O)N(CC(=O)N(C)C)c2ccccc2)cc(OC)c1OC ZINC000174077700 1426990345 /nfs/dbraw/zinc/99/03/45/1426990345.db2.gz CHGWFZSYDUXVIL-UHFFFAOYSA-N 0 0 382.460 3.167 20 30 GGEDRN CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)NC1(c2ccccc2)CCC1 ZINC000174077670 1426990350 /nfs/dbraw/zinc/99/03/50/1426990350.db2.gz DYGCEXOTKFZJCQ-UNOMPAQXSA-N 0 0 386.517 3.214 20 30 GGEDRN C#CCCCNC(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000174082208 1426992371 /nfs/dbraw/zinc/99/23/71/1426992371.db2.gz ONTBSYOEUNUZTG-HXUWFJFHSA-N 0 0 384.501 3.201 20 30 GGEDRN Cc1ccc(O[C@@H](C)CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1 ZINC000174084134 1426993983 /nfs/dbraw/zinc/99/39/83/1426993983.db2.gz YHYLYFRNFAHDTL-HNNXBMFYSA-N 0 0 391.475 3.043 20 30 GGEDRN Cc1ccc(O[C@H](C)CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1 ZINC000174084147 1426994137 /nfs/dbraw/zinc/99/41/37/1426994137.db2.gz YHYLYFRNFAHDTL-OAHLLOKOSA-N 0 0 391.475 3.043 20 30 GGEDRN CCOC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000174089030 1426996029 /nfs/dbraw/zinc/99/60/29/1426996029.db2.gz RMUQWCWCADUKTP-ZDUSSCGKSA-N 0 0 384.358 3.319 20 30 GGEDRN N#Cc1ccc(NC(=O)NCC(=O)NCCc2ccccc2)cc1C(F)(F)F ZINC000174092779 1426998211 /nfs/dbraw/zinc/99/82/11/1426998211.db2.gz ZGZJSXZDEUBXQM-UHFFFAOYSA-N 0 0 390.365 3.057 20 30 GGEDRN COc1cc(C#N)cc(Cl)c1OCC(=O)NCCCOC1CCCCC1 ZINC000174092948 1426998505 /nfs/dbraw/zinc/99/85/05/1426998505.db2.gz FBKCOCAMVUZHEL-UHFFFAOYSA-N 0 0 380.872 3.455 20 30 GGEDRN CCc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1[N+](=O)[O-] ZINC000174094915 1426999884 /nfs/dbraw/zinc/99/98/84/1426999884.db2.gz HVTXMNPGJJWDCV-UHFFFAOYSA-N 0 0 378.432 3.381 20 30 GGEDRN N#Cc1ccc(NC(=O)NCCC(=O)NCc2ccccc2)cc1C(F)(F)F ZINC000174096711 1427000645 /nfs/dbraw/zinc/00/06/45/1427000645.db2.gz RPFOOIRIGBIESH-UHFFFAOYSA-N 0 0 390.365 3.405 20 30 GGEDRN N#Cc1ccc(NC(=O)NC[C@@H](O)COc2ccc(F)cc2)cc1C(F)(F)F ZINC000174098832 1427001483 /nfs/dbraw/zinc/00/14/83/1427001483.db2.gz YWRKMCBLFOBJPH-CQSZACIVSA-N 0 0 397.328 3.278 20 30 GGEDRN N#Cc1ccc(NC(=O)NCc2ccccc2OCCO)cc1C(F)(F)F ZINC000174098339 1427001761 /nfs/dbraw/zinc/00/17/61/1427001761.db2.gz WKOKPMRUZLCETD-UHFFFAOYSA-N 0 0 379.338 3.270 20 30 GGEDRN COC(=O)NCc1ccc(N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000174106693 1427004581 /nfs/dbraw/zinc/00/45/81/1427004581.db2.gz FJLPSVOZRQLKIR-HNNXBMFYSA-N 0 0 398.438 3.429 20 30 GGEDRN COC(=O)NCc1ccc(N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 ZINC000174107345 1427005645 /nfs/dbraw/zinc/00/56/45/1427005645.db2.gz PFIUWVNEVFLHGD-INIZCTEOSA-N 0 0 380.448 3.290 20 30 GGEDRN Cc1nc(CC(N)=NO[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cs1 ZINC000174113706 1427007741 /nfs/dbraw/zinc/00/77/41/1427007741.db2.gz HABHWTPQUXBRRS-SECBINFHSA-N 0 0 386.399 3.329 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000174124666 1427012470 /nfs/dbraw/zinc/01/24/70/1427012470.db2.gz QJUMNVKTMHMLLT-RTBURBONSA-N 0 0 383.521 3.471 20 30 GGEDRN CSCC(=O)Nc1ccc(OCc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000174126198 1427013075 /nfs/dbraw/zinc/01/30/75/1427013075.db2.gz KNZWRGUHVHIFSU-UHFFFAOYSA-N 0 0 380.429 3.489 20 30 GGEDRN C[C@H]1CN(CC(=O)Nc2ccccc2SCC#N)c2ccccc2NC1=O ZINC000174187500 1427039799 /nfs/dbraw/zinc/03/97/99/1427039799.db2.gz QUPOBTBXIKSYJF-AWEZNQCLSA-N 0 0 380.473 3.336 20 30 GGEDRN C[C@H](Nc1ccc2c(c1)NC(=O)CC2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000174188144 1427040116 /nfs/dbraw/zinc/04/01/16/1427040116.db2.gz QZMHPCXXQNFJOY-AWEZNQCLSA-N 0 0 380.423 3.458 20 30 GGEDRN N#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000174194514 1427044109 /nfs/dbraw/zinc/04/41/09/1427044109.db2.gz WASCVKIWCHCPRC-GOSISDBHSA-N 0 0 375.472 3.020 20 30 GGEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000174196291 1427044900 /nfs/dbraw/zinc/04/49/00/1427044900.db2.gz JYTYKZDVTVPRIK-OAHLLOKOSA-N 0 0 398.425 3.065 20 30 GGEDRN CN(C)c1ccc(NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 ZINC000174201477 1427047592 /nfs/dbraw/zinc/04/75/92/1427047592.db2.gz QEZGSDIUIHKGJX-UHFFFAOYSA-N 0 0 379.464 3.229 20 30 GGEDRN CC(=O)Nc1ccc(S(=O)(=O)CCCOc2c(C)cc(C#N)cc2C)cc1 ZINC000174202084 1427047751 /nfs/dbraw/zinc/04/77/51/1427047751.db2.gz ODWZBICSPOWDPA-UHFFFAOYSA-N 0 0 386.473 3.376 20 30 GGEDRN COc1cccc(C(N)=NOCC(=O)c2cc(C)n(-c3nccs3)c2C)c1 ZINC000174214386 1427054788 /nfs/dbraw/zinc/05/47/88/1427054788.db2.gz XJENZHIOUJPSJU-UHFFFAOYSA-N 0 0 384.461 3.079 20 30 GGEDRN C#CCOc1cccc(COC(=O)c2cc(N3CCNC3=O)ccc2Cl)c1 ZINC000174217705 1427055826 /nfs/dbraw/zinc/05/58/26/1427055826.db2.gz QSQCMKSLOSKXKX-UHFFFAOYSA-N 0 0 384.819 3.239 20 30 GGEDRN Cc1cc(C(=O)CON=C(N)[C@@H](C)OCC(C)C)c(C)n1-c1nccs1 ZINC000174224423 1427058806 /nfs/dbraw/zinc/05/88/06/1427058806.db2.gz NNSFBFDIYAFDHY-CQSZACIVSA-N 0 0 378.498 3.083 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc1 ZINC000174227630 1427059797 /nfs/dbraw/zinc/05/97/97/1427059797.db2.gz LFCZVGGHGNNHRP-LAUBAEHRSA-N 0 0 398.528 3.417 20 30 GGEDRN CCO[C@H]1C[C@@H](NC(=O)N(CCOC)Cc2ccc(C#N)cc2)C12CCCC2 ZINC000174231119 1427061195 /nfs/dbraw/zinc/06/11/95/1427061195.db2.gz VGMIZGKLPUSCNS-UXHICEINSA-N 0 0 385.508 3.454 20 30 GGEDRN CCO[C@H]1C[C@H](NC(=O)N(CCOC)Cc2ccc(C#N)cc2)C12CCCC2 ZINC000174231086 1427061318 /nfs/dbraw/zinc/06/13/18/1427061318.db2.gz VGMIZGKLPUSCNS-PMACEKPBSA-N 0 0 385.508 3.454 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCSc2n[nH]c(C)n2)cc1 ZINC000174242859 1427066379 /nfs/dbraw/zinc/06/63/79/1427066379.db2.gz LGOZRBINOGFCOP-UHFFFAOYSA-N 0 0 385.493 3.048 20 30 GGEDRN CC#CCOC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl ZINC000174244982 1427067072 /nfs/dbraw/zinc/06/70/72/1427067072.db2.gz JWUMXPFXARJPDH-UHFFFAOYSA-N 0 0 395.839 3.484 20 30 GGEDRN C[C@H]1CCC[C@](C#N)(NC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C1 ZINC000174245824 1427067508 /nfs/dbraw/zinc/06/75/08/1427067508.db2.gz GQBKRHYIWOMVSF-SGTLLEGYSA-N 0 0 389.912 3.476 20 30 GGEDRN C[C@H]1CCC[C@@](C#N)(NC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C1 ZINC000174245793 1427067516 /nfs/dbraw/zinc/06/75/16/1427067516.db2.gz GQBKRHYIWOMVSF-KPZWWZAWSA-N 0 0 389.912 3.476 20 30 GGEDRN C=CCOc1cccc(NC(=O)CCc2c(C)nc3c(c(=O)[nH]n3C)c2C)c1 ZINC000174248619 1427068834 /nfs/dbraw/zinc/06/88/34/1427068834.db2.gz UPABLSUMZLTGES-UHFFFAOYSA-N 0 0 380.448 3.015 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000174259040 1427073216 /nfs/dbraw/zinc/07/32/16/1427073216.db2.gz LALDDQQDKRURHP-MRXNPFEDSA-N 0 0 384.480 3.260 20 30 GGEDRN C=CC[N@@H+](CCOCc1ccc(OC)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735418396 1427075653 /nfs/dbraw/zinc/07/56/53/1427075653.db2.gz CTMLHQBLEOPKAH-UHFFFAOYSA-N 0 0 379.464 3.080 20 30 GGEDRN CN(C[C@@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1)C(=O)OC(C)(C)C ZINC000174284615 1427085186 /nfs/dbraw/zinc/08/51/86/1427085186.db2.gz LOPAGZCEOZFUJI-KRWDZBQOSA-N 0 0 397.479 3.440 20 30 GGEDRN C[C@@H](CCOc1ccccc1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000174315782 1427098143 /nfs/dbraw/zinc/09/81/43/1427098143.db2.gz KPCYPCAMZNSFKQ-PZJWPPBQSA-N 0 0 377.488 3.328 20 30 GGEDRN COc1cccc(-c2noc([C@H](C)N[C@@H](C)C(=O)NC3(C#N)CCCCC3)n2)c1 ZINC000174327983 1427104332 /nfs/dbraw/zinc/10/43/32/1427104332.db2.gz AZGLIAVSBLJUTM-GJZGRUSLSA-N 0 0 397.479 3.127 20 30 GGEDRN COc1cccc(-c2noc([C@@H](C)N[C@@H](C)C(=O)NC3(C#N)CCCCC3)n2)c1 ZINC000174327999 1427104374 /nfs/dbraw/zinc/10/43/74/1427104374.db2.gz AZGLIAVSBLJUTM-LSDHHAIUSA-N 0 0 397.479 3.127 20 30 GGEDRN COc1cccc(-c2noc([C@@H](C)N[C@H](C)C(=O)Nc3cccc(C#N)c3)n2)c1 ZINC000174329447 1427104893 /nfs/dbraw/zinc/10/48/93/1427104893.db2.gz HARHGYFSCHIHBU-ZIAGYGMSSA-N 0 0 391.431 3.295 20 30 GGEDRN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1nc(-c2cccc(F)c2)no1 ZINC000174337170 1427108298 /nfs/dbraw/zinc/10/82/98/1427108298.db2.gz SLADXNZJPSORAQ-QWHCGFSZSA-N 0 0 379.395 3.425 20 30 GGEDRN N#CCN1CCN(C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000174342842 1427111375 /nfs/dbraw/zinc/11/13/75/1427111375.db2.gz WYFBZHPYVFDLRD-UHFFFAOYSA-N 0 0 394.422 3.039 20 30 GGEDRN CC(=O)c1cccc(NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 ZINC000174347341 1427113364 /nfs/dbraw/zinc/11/33/64/1427113364.db2.gz PDSWTAUCTNLJBF-UHFFFAOYSA-N 0 0 378.432 3.366 20 30 GGEDRN N#CCN1CCN(C(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1 ZINC000174347106 1427113494 /nfs/dbraw/zinc/11/34/94/1427113494.db2.gz URRCKVNUJNYUCK-VXKWHMMOSA-N 0 0 375.472 3.037 20 30 GGEDRN CC(C)CCSc1ccc(C(=O)N2CCN(CC#N)CC2)cc1[N+](=O)[O-] ZINC000174351408 1427115021 /nfs/dbraw/zinc/11/50/21/1427115021.db2.gz RVUDDCGGQOOLAI-UHFFFAOYSA-N 0 0 376.482 3.014 20 30 GGEDRN CC(C)(C)n1cc(C(=O)N2CCN(CC#N)CC2)c(-c2ccccc2Cl)n1 ZINC000174350702 1427115228 /nfs/dbraw/zinc/11/52/28/1427115228.db2.gz AZEUXWNVNQPMIK-UHFFFAOYSA-N 0 0 385.899 3.240 20 30 GGEDRN N#CCN1CCN(C(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000174350196 1427115533 /nfs/dbraw/zinc/11/55/33/1427115533.db2.gz FADAHVHQLVJYJH-UHFFFAOYSA-N 0 0 390.274 3.413 20 30 GGEDRN Cc1ccc(Sc2ccc(C(=O)N3CCN(CC#N)CC3)cc2[N+](=O)[O-])cc1 ZINC000174353156 1427115941 /nfs/dbraw/zinc/11/59/41/1427115941.db2.gz NJYHBLNAZQBEPN-UHFFFAOYSA-N 0 0 396.472 3.336 20 30 GGEDRN CCCCOc1c(Cl)cc(C(=O)N2CCN(CC#N)CC2)cc1OCC ZINC000174353205 1427116105 /nfs/dbraw/zinc/11/61/05/1427116105.db2.gz TZZANKGHELMVPD-UHFFFAOYSA-N 0 0 379.888 3.199 20 30 GGEDRN N#CCN1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CC1 ZINC000174352923 1427116164 /nfs/dbraw/zinc/11/61/64/1427116164.db2.gz CGPAHMYFVAGFDT-UHFFFAOYSA-N 0 0 391.258 3.462 20 30 GGEDRN Cc1ccc(N2CCOC2=O)cc1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000174360256 1427119143 /nfs/dbraw/zinc/11/91/43/1427119143.db2.gz RZPFFZDDJACGSO-SFHVURJKSA-N 0 0 376.416 3.041 20 30 GGEDRN CN1C(=O)C[C@@H](C(=O)NCc2cc(C#N)ccc2F)[C@H]1c1cccc(Cl)c1 ZINC000174397759 1427137394 /nfs/dbraw/zinc/13/73/94/1427137394.db2.gz ULWUGOFPMYFIHK-VQIMIIECSA-N 0 0 385.826 3.187 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)c1 ZINC000174398132 1427138221 /nfs/dbraw/zinc/13/82/21/1427138221.db2.gz FIEQUTUCQMDVLG-UHFFFAOYSA-N 0 0 379.347 3.054 20 30 GGEDRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cc(C#N)ccc1F ZINC000174406888 1427144683 /nfs/dbraw/zinc/14/46/83/1427144683.db2.gz CRHKSRSLHDYICT-BTYIYWSLSA-N 0 0 393.462 3.313 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000174409265 1427145070 /nfs/dbraw/zinc/14/50/70/1427145070.db2.gz XEEITIZBAMUSQX-INIZCTEOSA-N 0 0 380.423 3.258 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1 ZINC000174409683 1427145100 /nfs/dbraw/zinc/14/51/00/1427145100.db2.gz VJXWKSWBFIVLJN-UHFFFAOYSA-N 0 0 398.415 3.194 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000174411365 1427145953 /nfs/dbraw/zinc/14/59/53/1427145953.db2.gz PUPOQVIZUFFGGT-HRAATJIYSA-N 0 0 380.444 3.243 20 30 GGEDRN C#C[C@H](C)OC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000174411708 1427146400 /nfs/dbraw/zinc/14/64/00/1427146400.db2.gz XOVOKFUJWVNHGO-NSHDSACASA-N 0 0 381.812 3.458 20 30 GGEDRN Cc1c(C(=O)NCc2cc(C#N)ccc2F)nnn1-c1cccc2ncccc21 ZINC000174412236 1427146629 /nfs/dbraw/zinc/14/66/29/1427146629.db2.gz LGRREEVGTDZEOD-UHFFFAOYSA-N 0 0 386.390 3.065 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000174414751 1427147180 /nfs/dbraw/zinc/14/71/80/1427147180.db2.gz XYYYMNKELYOAMX-UHFFFAOYSA-N 0 0 385.398 3.482 20 30 GGEDRN Cc1ccccc1[C@H]1CN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)[C@H](C)CO1 ZINC000174418833 1427149595 /nfs/dbraw/zinc/14/95/95/1427149595.db2.gz KWSJGGVRTHWQKZ-QVKFZJNVSA-N 0 0 393.487 3.093 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)c1 ZINC000174418847 1427149694 /nfs/dbraw/zinc/14/96/94/1427149694.db2.gz WOMWYQRXOQAAFS-UHFFFAOYSA-N 0 0 394.450 3.126 20 30 GGEDRN C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1cc(C#N)ccc1F ZINC000174422822 1427150924 /nfs/dbraw/zinc/15/09/24/1427150924.db2.gz ZLJFSGGDDOHWDS-AWEZNQCLSA-N 0 0 381.451 3.430 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)c1 ZINC000174427457 1427152196 /nfs/dbraw/zinc/15/21/96/1427152196.db2.gz PMCRQNLUAOZDRY-OAQYLSRUSA-N 0 0 387.414 3.485 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000174429493 1427152822 /nfs/dbraw/zinc/15/28/22/1427152822.db2.gz JMHVIRZQSBVTRH-UHFFFAOYSA-N 0 0 381.388 3.480 20 30 GGEDRN N#CCCN(CC(F)(F)F)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000174434748 1427154988 /nfs/dbraw/zinc/15/49/88/1427154988.db2.gz DWDGPNWGDNKRJM-UHFFFAOYSA-N 0 0 383.351 3.457 20 30 GGEDRN N#CCCN(CC(F)(F)F)C(=O)C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000174434333 1427155111 /nfs/dbraw/zinc/15/51/11/1427155111.db2.gz FKGRHRDTEDNVAV-UHFFFAOYSA-N 0 0 395.425 3.162 20 30 GGEDRN Cc1ccc(-c2noc(CCC(=O)N(CCC#N)CC(F)(F)F)n2)cc1F ZINC000174435145 1427155583 /nfs/dbraw/zinc/15/55/83/1427155583.db2.gz IYSCLBJSNKABOA-UHFFFAOYSA-N 0 0 384.333 3.421 20 30 GGEDRN C#C[C@@H](C)OC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000174469460 1427170906 /nfs/dbraw/zinc/17/09/06/1427170906.db2.gz QEPOVPJCOMXLFM-LLVKDONJSA-N 0 0 376.206 3.402 20 30 GGEDRN CN(Cc1ccccc1-c1ccccc1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000174471760 1427172122 /nfs/dbraw/zinc/17/21/22/1427172122.db2.gz JJXRJZAXHGYAOV-FCQUAONHSA-N 0 0 389.455 3.229 20 30 GGEDRN CC1(C)[C@@H]2OCCC[C@H]2[C@@H]1OC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000174488062 1427178563 /nfs/dbraw/zinc/17/85/63/1427178563.db2.gz LJXGJSIUBWZJIQ-UIFIKXQLSA-N 0 0 384.476 3.460 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)NCC(=O)N2CCCC2)cc1F ZINC000174492508 1427179827 /nfs/dbraw/zinc/17/98/27/1427179827.db2.gz BOERALHWYDJCME-UHFFFAOYSA-N 0 0 382.395 3.234 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](OC)c1ccc(F)cc1 ZINC000174500663 1427186074 /nfs/dbraw/zinc/18/60/74/1427186074.db2.gz NUAKLFJUIQGRJI-FQEVSTJZSA-N 0 0 386.423 3.369 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O ZINC000174530175 1427206700 /nfs/dbraw/zinc/20/67/00/1427206700.db2.gz PTPIPFWQERGNQG-UHFFFAOYSA-N 0 0 389.377 3.484 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2cccnc2)cc1F ZINC000174539428 1427210573 /nfs/dbraw/zinc/21/05/73/1427210573.db2.gz CMMGHHLISZXKKP-UHFFFAOYSA-N 0 0 390.374 3.140 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1F ZINC000174539074 1427211032 /nfs/dbraw/zinc/21/10/32/1427211032.db2.gz UWBZRLMHTHAPDW-UHFFFAOYSA-N 0 0 390.374 3.140 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000174553360 1427220883 /nfs/dbraw/zinc/22/08/83/1427220883.db2.gz ZLCKWAPLUYIMNE-UHFFFAOYSA-N 0 0 395.217 3.399 20 30 GGEDRN CC(C)n1cnnc1[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000174554287 1427220930 /nfs/dbraw/zinc/22/09/30/1427220930.db2.gz PGHNMRGTMYNXOZ-OAHLLOKOSA-N 0 0 386.887 3.202 20 30 GGEDRN Cc1ccc(Cl)cc1NC(=O)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000174570360 1427231674 /nfs/dbraw/zinc/23/16/74/1427231674.db2.gz CCMFSOFRAUFIDQ-HXUWFJFHSA-N 0 0 382.895 3.469 20 30 GGEDRN C[C@H](C(=O)Nc1cccc2ncccc21)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000174570987 1427232328 /nfs/dbraw/zinc/23/23/28/1427232328.db2.gz SNQWHESGPSKFNI-WZONZLPQSA-N 0 0 399.498 3.444 20 30 GGEDRN CC(=O)c1ccc(NC(=O)CCN2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 ZINC000174571648 1427232391 /nfs/dbraw/zinc/23/23/91/1427232391.db2.gz XZKLLHLBFWSEJD-QFIPXVFZSA-N 0 0 390.487 3.100 20 30 GGEDRN Cc1cc(Cl)ccc1NC(=O)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000174571375 1427232409 /nfs/dbraw/zinc/23/24/09/1427232409.db2.gz XYZGIZVHQLOAEG-HXUWFJFHSA-N 0 0 382.895 3.469 20 30 GGEDRN CCO[C@H]1C[C@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C12CCCC2 ZINC000174576317 1427235431 /nfs/dbraw/zinc/23/54/31/1427235431.db2.gz QFTAZIQVKPOZAJ-OALUTQOASA-N 0 0 395.507 3.004 20 30 GGEDRN N#Cc1cc(NC(=O)Cc2ccc3c(c2)CCC3)ccc1N1CCC(O)CC1 ZINC000174577746 1427236236 /nfs/dbraw/zinc/23/62/36/1427236236.db2.gz YYXIZXNSBVYKMK-UHFFFAOYSA-N 0 0 375.472 3.189 20 30 GGEDRN CCC(=O)Nc1cccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 ZINC000174578051 1427236760 /nfs/dbraw/zinc/23/67/60/1427236760.db2.gz PPGQJMHZKMFOLF-UHFFFAOYSA-N 0 0 392.459 3.120 20 30 GGEDRN CCOc1ccc(CCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 ZINC000174579173 1427237809 /nfs/dbraw/zinc/23/78/09/1427237809.db2.gz LWLQNWSZBLXSPB-UHFFFAOYSA-N 0 0 393.487 3.489 20 30 GGEDRN N#C[C@@H](c1ccccc1)N1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000174579200 1427237837 /nfs/dbraw/zinc/23/78/37/1427237837.db2.gz JNIHXOYJUSQDQM-IBGZPJMESA-N 0 0 377.423 3.258 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCN(CC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000174578914 1427237932 /nfs/dbraw/zinc/23/79/32/1427237932.db2.gz LOZRRLQZWUEJPX-LJQANCHMSA-N 0 0 386.858 3.300 20 30 GGEDRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 ZINC000174580425 1427238460 /nfs/dbraw/zinc/23/84/60/1427238460.db2.gz MTKFTBUZOYWQAE-MRXNPFEDSA-N 0 0 379.460 3.234 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)NCCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000174579370 1427238715 /nfs/dbraw/zinc/23/87/15/1427238715.db2.gz CJTCOWYUHGYFPI-UHFFFAOYSA-N 0 0 389.814 3.164 20 30 GGEDRN COc1cccc([C@@H](C)C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 ZINC000174584578 1427241010 /nfs/dbraw/zinc/24/10/10/1427241010.db2.gz OWBCQBZMUUCIQO-OAHLLOKOSA-N 0 0 379.460 3.270 20 30 GGEDRN Cc1c(Cl)cccc1OCC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000174584997 1427241101 /nfs/dbraw/zinc/24/11/01/1427241101.db2.gz BBCUZAKAWMRYSM-UHFFFAOYSA-N 0 0 399.878 3.499 20 30 GGEDRN CC(C)Cc1nc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cs1 ZINC000174585710 1427241631 /nfs/dbraw/zinc/24/16/31/1427241631.db2.gz DAHOIDXTAULSPI-UHFFFAOYSA-N 0 0 384.505 3.427 20 30 GGEDRN COc1ccccc1C[C@H](C)N(C)C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000174585854 1427241895 /nfs/dbraw/zinc/24/18/95/1427241895.db2.gz NSQKJBFMDYCATC-INIZCTEOSA-N 0 0 382.508 3.444 20 30 GGEDRN CCc1ccccc1OCC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000174585157 1427241933 /nfs/dbraw/zinc/24/19/33/1427241933.db2.gz FEMYGZZOJWZWBM-UHFFFAOYSA-N 0 0 379.460 3.099 20 30 GGEDRN N#Cc1cc(NC(=O)COc2ccccc2Cl)ccc1N1CCC(O)CC1 ZINC000174586238 1427242053 /nfs/dbraw/zinc/24/20/53/1427242053.db2.gz SWBKSXCFVGQJDW-UHFFFAOYSA-N 0 0 385.851 3.190 20 30 GGEDRN N#Cc1cc(NC(=O)COc2ccc3c(c2)CCC3)ccc1N1CCC(O)CC1 ZINC000174586542 1427242509 /nfs/dbraw/zinc/24/25/09/1427242509.db2.gz KRUIRZJCKUTIQT-UHFFFAOYSA-N 0 0 391.471 3.026 20 30 GGEDRN N#Cc1cc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)ccc1N1CCC(O)CC1 ZINC000174587157 1427242603 /nfs/dbraw/zinc/24/26/03/1427242603.db2.gz NYOCQVAWEHJKJO-XUZZJYLKSA-N 0 0 387.483 3.362 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H](CC)c1ccc(OC)cc1 ZINC000174587223 1427242614 /nfs/dbraw/zinc/24/26/14/1427242614.db2.gz DTVAJVFZQLLCSE-QGZVFWFLSA-N 0 0 384.407 3.052 20 30 GGEDRN Cc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)s1 ZINC000174586778 1427242840 /nfs/dbraw/zinc/24/28/40/1427242840.db2.gz FSBIUWXXDHUYBX-UHFFFAOYSA-N 0 0 397.500 3.491 20 30 GGEDRN C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000174586838 1427242864 /nfs/dbraw/zinc/24/28/64/1427242864.db2.gz HRKSNBPTOBEJNR-HNNXBMFYSA-N 0 0 381.451 3.476 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H](CC)c1ccc(OC)cc1 ZINC000174587210 1427243053 /nfs/dbraw/zinc/24/30/53/1427243053.db2.gz DTVAJVFZQLLCSE-KRWDZBQOSA-N 0 0 384.407 3.052 20 30 GGEDRN COc1ccccc1C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000174589553 1427244646 /nfs/dbraw/zinc/24/46/46/1427244646.db2.gz JJCTWYHNMBVZCE-ZDUSSCGKSA-N 0 0 385.851 3.248 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCCSc2ccccc2)cc1C(F)(F)F ZINC000174594789 1427247217 /nfs/dbraw/zinc/24/72/17/1427247217.db2.gz HRWFHZJAAAZMMB-UHFFFAOYSA-N 0 0 393.390 3.424 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCCCOC2CCCCC2)cc1C(F)(F)F ZINC000174600030 1427251138 /nfs/dbraw/zinc/25/11/38/1427251138.db2.gz IYAGMIACKQSMTR-UHFFFAOYSA-N 0 0 397.397 3.371 20 30 GGEDRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000174605872 1427256037 /nfs/dbraw/zinc/25/60/37/1427256037.db2.gz MNCNAJKRKFYYMV-QHCPKHFHSA-N 0 0 397.478 3.491 20 30 GGEDRN Cc1cc(NC(=O)C2=C(C)N(CC(C)C)C(=S)N[C@H]2c2ccc(C#N)o2)no1 ZINC000174606852 1427257829 /nfs/dbraw/zinc/25/78/29/1427257829.db2.gz ACUIZVUIOSBADA-KRWDZBQOSA-N 0 0 399.476 3.248 20 30 GGEDRN Cc1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)ccc1C#N ZINC000174608812 1427259555 /nfs/dbraw/zinc/25/95/55/1427259555.db2.gz LNXDQCHSHADZHD-QFIPXVFZSA-N 0 0 398.466 3.266 20 30 GGEDRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(C#N)o2)NC(=O)N1C1CC1 ZINC000174609592 1427259752 /nfs/dbraw/zinc/25/97/52/1427259752.db2.gz GCANKCSAJOPAAC-GOSISDBHSA-N 0 0 380.379 3.432 20 30 GGEDRN Cn1c2ccc(F)cc2nc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000174612527 1427261957 /nfs/dbraw/zinc/26/19/57/1427261957.db2.gz JGPUHHGPVHCOCF-UHFFFAOYSA-N 0 0 393.422 3.378 20 30 GGEDRN COc1cc2c(c(CNc3ccc(N4CCC(O)CC4)c(C#N)c3)c1)O[C@@H](C)C2 ZINC000174616668 1427264384 /nfs/dbraw/zinc/26/43/84/1427264384.db2.gz DGQYWKBQFHLXDS-HNNXBMFYSA-N 0 0 393.487 3.463 20 30 GGEDRN CCN(CC)c1ncc(CNc2ccc(N3CCC(O)CC3)c(C#N)c2)s1 ZINC000174615984 1427264400 /nfs/dbraw/zinc/26/44/00/1427264400.db2.gz GUGJFWWDYXZZPS-UHFFFAOYSA-N 0 0 385.537 3.434 20 30 GGEDRN C[C@H](C#N)Oc1ccc(CNc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 ZINC000174616698 1427264464 /nfs/dbraw/zinc/26/44/64/1427264464.db2.gz OSEYHXZMTOTNRA-MRXNPFEDSA-N 0 0 376.460 3.422 20 30 GGEDRN N#Cc1cc(NCc2cn3cc(Cl)ccc3n2)ccc1N1CCC(O)CC1 ZINC000174616622 1427264577 /nfs/dbraw/zinc/26/45/77/1427264577.db2.gz HLSZQKGNMQHISV-UHFFFAOYSA-N 0 0 381.867 3.433 20 30 GGEDRN Cc1cc(CNc2ccc(N3CCC(O)CC3)c(C#N)c2)ccc1-n1cncn1 ZINC000174618116 1427266285 /nfs/dbraw/zinc/26/62/85/1427266285.db2.gz MAXAHZAJYVYGHV-UHFFFAOYSA-N 0 0 388.475 3.021 20 30 GGEDRN N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000174619852 1427267501 /nfs/dbraw/zinc/26/75/01/1427267501.db2.gz HEUSPGXHFGKHLM-QGZVFWFLSA-N 0 0 385.370 3.085 20 30 GGEDRN N#Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000174619864 1427267595 /nfs/dbraw/zinc/26/75/95/1427267595.db2.gz HEUSPGXHFGKHLM-KRWDZBQOSA-N 0 0 385.370 3.085 20 30 GGEDRN COc1ccc(CN(C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1O ZINC000174623941 1427270871 /nfs/dbraw/zinc/27/08/71/1427270871.db2.gz OLXXERKSYVMQLT-UHFFFAOYSA-N 0 0 381.476 3.396 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000174625961 1427272053 /nfs/dbraw/zinc/27/20/53/1427272053.db2.gz XOYWFZKNULORDX-HNNXBMFYSA-N 0 0 398.434 3.441 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(Cc1ccccc1)CC(F)F ZINC000174629220 1427274654 /nfs/dbraw/zinc/27/46/54/1427274654.db2.gz BQDBAFJLQSXLAA-UHFFFAOYSA-N 0 0 397.429 3.444 20 30 GGEDRN COc1ccc(CN(C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1O ZINC000174633473 1427277041 /nfs/dbraw/zinc/27/70/41/1427277041.db2.gz CYPAYWSEECTRCW-UHFFFAOYSA-N 0 0 381.476 3.396 20 30 GGEDRN COc1cccc(-c2noc([C@@H](C)NC(=O)Cc3ccc(OCC#N)cc3)n2)c1 ZINC000174642063 1427282005 /nfs/dbraw/zinc/28/20/05/1427282005.db2.gz HLUDIECQCUARKP-CQSZACIVSA-N 0 0 392.415 3.067 20 30 GGEDRN C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)Cc1cccc(Cl)n1 ZINC000174643867 1427283256 /nfs/dbraw/zinc/28/32/56/1427283256.db2.gz XKBJXPOJTZXFLJ-UHFFFAOYSA-N 0 0 388.880 3.077 20 30 GGEDRN C[C@H]1CCCC[C@H]1OCCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174645456 1427285045 /nfs/dbraw/zinc/28/50/45/1427285045.db2.gz NSSJVMPKNCWSSE-BLLLJJGKSA-N 0 0 397.397 3.227 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2nccs2)cc1F ZINC000174668319 1427298303 /nfs/dbraw/zinc/29/83/03/1427298303.db2.gz JTLFKHHVOAPUFA-UHFFFAOYSA-N 0 0 396.403 3.201 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)NCCOc2cccc(C(F)(F)F)c2)c1C#N ZINC000174670226 1427299292 /nfs/dbraw/zinc/29/92/92/1427299292.db2.gz PYGVDNYEIKEGNV-UHFFFAOYSA-N 0 0 391.349 3.019 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000174671482 1427300797 /nfs/dbraw/zinc/30/07/97/1427300797.db2.gz VDAGDHGVVNWTHX-CYBMUJFWSA-N 0 0 386.452 3.284 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2cc3ccccc3o2)cc1 ZINC000174690126 1427311519 /nfs/dbraw/zinc/31/15/19/1427311519.db2.gz RTHWZEWFDXURFQ-UHFFFAOYSA-N 0 0 384.457 3.169 20 30 GGEDRN N#CCCN(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)CC1CC1 ZINC000174696406 1427315163 /nfs/dbraw/zinc/31/51/63/1427315163.db2.gz ZMHTXUKROPROIC-UHFFFAOYSA-N 0 0 387.439 3.026 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000174712584 1427325059 /nfs/dbraw/zinc/32/50/59/1427325059.db2.gz QCKHCSGEYKHMST-GFCCVEGCSA-N 0 0 390.361 3.274 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2OC(F)(F)F)c1C#N ZINC000174716325 1427327206 /nfs/dbraw/zinc/32/72/06/1427327206.db2.gz ACNHQYWEPILIQX-UHFFFAOYSA-N 0 0 391.349 3.362 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2C(F)(F)F)c1C#N ZINC000174716271 1427327368 /nfs/dbraw/zinc/32/73/68/1427327368.db2.gz AHYLVRIKGKMAPM-UHFFFAOYSA-N 0 0 375.350 3.483 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(OC)cc1 ZINC000174717478 1427327877 /nfs/dbraw/zinc/32/78/77/1427327877.db2.gz RZGIQJFHSRWITN-CQSZACIVSA-N 0 0 384.407 3.004 20 30 GGEDRN N#CCc1ccc(NC(=O)N2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000174717609 1427328220 /nfs/dbraw/zinc/32/82/20/1427328220.db2.gz XNNAVNCDLHRJNR-UHFFFAOYSA-N 0 0 376.416 3.299 20 30 GGEDRN Cc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c(C)c1 ZINC000174724903 1427332896 /nfs/dbraw/zinc/33/28/96/1427332896.db2.gz BPIPRGNBHWGGMM-UHFFFAOYSA-N 0 0 375.350 3.449 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)c1C#N ZINC000174727045 1427333245 /nfs/dbraw/zinc/33/32/45/1427333245.db2.gz IQLYXUHJQKONFQ-UHFFFAOYSA-N 0 0 391.349 3.362 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174727130 1427334263 /nfs/dbraw/zinc/33/42/63/1427334263.db2.gz GNEJDRWBMIFNNI-UHFFFAOYSA-N 0 0 386.333 3.046 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1CC(F)(F)F ZINC000174728637 1427334745 /nfs/dbraw/zinc/33/47/45/1427334745.db2.gz XDEBMJIUIUEYRN-UHFFFAOYSA-N 0 0 375.350 3.260 20 30 GGEDRN N#CCC1(COC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC000174731888 1427336572 /nfs/dbraw/zinc/33/65/72/1427336572.db2.gz YCLBDTMIFFTQHF-UHFFFAOYSA-N 0 0 380.404 3.260 20 30 GGEDRN CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@](C)(C#N)CCc2ccccc2)c1 ZINC000174736115 1427339341 /nfs/dbraw/zinc/33/93/41/1427339341.db2.gz KOVWOPLNAPIQQT-HXUWFJFHSA-N 0 0 388.464 3.264 20 30 GGEDRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCC2(CC#N)CC2)cc1 ZINC000174736564 1427339858 /nfs/dbraw/zinc/33/98/58/1427339858.db2.gz PVTBKSSMUHZQAU-OAHLLOKOSA-N 0 0 376.478 3.100 20 30 GGEDRN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)OCC1(CC#N)CC1 ZINC000174739156 1427341322 /nfs/dbraw/zinc/34/13/22/1427341322.db2.gz SODKXJMZEAZBQM-HNNXBMFYSA-N 0 0 376.840 3.190 20 30 GGEDRN N#CCC1(COC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000174739456 1427341944 /nfs/dbraw/zinc/34/19/44/1427341944.db2.gz RKQXGQVNXSGRSG-GFCCVEGCSA-N 0 0 377.238 3.039 20 30 GGEDRN N#CCC1(COC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1 ZINC000174750759 1427347767 /nfs/dbraw/zinc/34/77/67/1427347767.db2.gz UYJCTLUFBKLPCX-UHFFFAOYSA-N 0 0 376.478 3.102 20 30 GGEDRN N#CCC1(COC(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC1 ZINC000174751583 1427348377 /nfs/dbraw/zinc/34/83/77/1427348377.db2.gz USDVWCSWBNLEQJ-UHFFFAOYSA-N 0 0 396.515 3.139 20 30 GGEDRN CCn1cc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cn1 ZINC000174757040 1427351382 /nfs/dbraw/zinc/35/13/82/1427351382.db2.gz ZKLJKHMYLRLDLD-UHFFFAOYSA-N 0 0 393.378 3.283 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c1C#N ZINC000174758204 1427352019 /nfs/dbraw/zinc/35/20/19/1427352019.db2.gz FFINFLHRAFSOLQ-SFHVURJKSA-N 0 0 383.835 3.059 20 30 GGEDRN Cc1ccccc1OCCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174762297 1427353929 /nfs/dbraw/zinc/35/39/29/1427353929.db2.gz QPSIKNALCCHCDA-UHFFFAOYSA-N 0 0 391.349 3.019 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)NCc2ccccc2OCC(F)(F)F)c1C#N ZINC000174763314 1427354436 /nfs/dbraw/zinc/35/44/36/1427354436.db2.gz IHZMLNUPOYMSKF-UHFFFAOYSA-N 0 0 391.349 3.063 20 30 GGEDRN Cc1ccc(CN(Cc2ccco2)C(=O)CCNC(=O)C2N=CC=CC2=O)s1 ZINC000174771806 1427358620 /nfs/dbraw/zinc/35/86/20/1427358620.db2.gz ONRVMIRYSNPDGO-VXPUYCOJSA-N 0 0 399.472 3.095 20 30 GGEDRN CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174779347 1427361884 /nfs/dbraw/zinc/36/18/84/1427361884.db2.gz ATPYWAIXQGFQTM-UHFFFAOYSA-N 0 0 391.349 3.231 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCc3cc(F)ccc32)cc1C(F)(F)F ZINC000174787306 1427367430 /nfs/dbraw/zinc/36/74/30/1427367430.db2.gz NVWOEWCRVZVBCN-MRXNPFEDSA-N 0 0 391.324 3.458 20 30 GGEDRN C[C@H](CNC(=O)Nc1cccc(C#Cc2ccccc2)c1)C[NH+]1CCN(C)CC1 ZINC000174787067 1427367668 /nfs/dbraw/zinc/36/76/68/1427367668.db2.gz VZMHLWIRLODFOZ-HXUWFJFHSA-N 0 0 390.531 3.091 20 30 GGEDRN C=C(Br)CNC(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000174797448 1427374010 /nfs/dbraw/zinc/37/40/10/1427374010.db2.gz WWOLGCCHRXPAOK-UHFFFAOYSA-N 0 0 385.233 3.110 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1cccc2ccccc21 ZINC000174806505 1427378948 /nfs/dbraw/zinc/37/89/48/1427378948.db2.gz KWLPIENOXIFZIA-UHFFFAOYSA-N 0 0 376.387 3.246 20 30 GGEDRN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)Nc2ccc(F)c(C#N)c2)n1 ZINC000174809213 1427380412 /nfs/dbraw/zinc/38/04/12/1427380412.db2.gz ZXGHYTNYEMHZAX-GFCCVEGCSA-N 0 0 375.404 3.478 20 30 GGEDRN CC(C)(C#N)CCCN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000174810187 1427381418 /nfs/dbraw/zinc/38/14/18/1427381418.db2.gz VPBOQDXRJCHFQI-UHFFFAOYSA-N 0 0 399.926 3.338 20 30 GGEDRN O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1cc(F)c(F)c(F)c1F ZINC000174818296 1427385066 /nfs/dbraw/zinc/38/50/66/1427385066.db2.gz BSOQXXPZVINCOV-HNNXBMFYSA-N 0 0 381.247 3.423 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000174827800 1427389971 /nfs/dbraw/zinc/38/99/71/1427389971.db2.gz WSQFWHSEKDCTEE-UHFFFAOYSA-N 0 0 389.459 3.484 20 30 GGEDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(CCC#N)Cc1ccccn1 ZINC000174832199 1427392922 /nfs/dbraw/zinc/39/29/22/1427392922.db2.gz MIMZAAOBIVNXBC-UHFFFAOYSA-N 0 0 388.475 3.239 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c1 ZINC000174832980 1427393741 /nfs/dbraw/zinc/39/37/41/1427393741.db2.gz BGUCNYUSZICTLU-GOSISDBHSA-N 0 0 382.395 3.137 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1 ZINC000174832966 1427393887 /nfs/dbraw/zinc/39/38/87/1427393887.db2.gz BGUCNYUSZICTLU-SFHVURJKSA-N 0 0 382.395 3.137 20 30 GGEDRN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000736197327 1427395395 /nfs/dbraw/zinc/39/53/95/1427395395.db2.gz MWTHRFIHENJAFN-QGZVFWFLSA-N 0 0 387.491 3.007 20 30 GGEDRN N#CCCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccccn1 ZINC000174838368 1427397296 /nfs/dbraw/zinc/39/72/96/1427397296.db2.gz LXARIOYAHALBHF-UHFFFAOYSA-N 0 0 378.354 3.335 20 30 GGEDRN N#C[C@H](NC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)c1ccccc1Cl ZINC000174840502 1427398692 /nfs/dbraw/zinc/39/86/92/1427398692.db2.gz YKCGSRLNNUBGPW-KSSFIOAISA-N 0 0 388.899 3.385 20 30 GGEDRN N#C[C@H](NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1Cl ZINC000174840690 1427399407 /nfs/dbraw/zinc/39/94/07/1427399407.db2.gz NEXNGEWVHLDIIS-XLIONFOSSA-N 0 0 383.879 3.312 20 30 GGEDRN Cc1ccc2nc(-c3ccc(NC(=O)CN4CCOC[C@@H]4C#N)cc3)sc2c1 ZINC000174848514 1427404772 /nfs/dbraw/zinc/40/47/72/1427404772.db2.gz NUCHSRWCBSMKMX-KRWDZBQOSA-N 0 0 392.484 3.435 20 30 GGEDRN Cc1ccc2nc(-c3ccc(NC(=O)CN4CCOC[C@H]4C#N)cc3)sc2c1 ZINC000174848524 1427404849 /nfs/dbraw/zinc/40/48/49/1427404849.db2.gz NUCHSRWCBSMKMX-QGZVFWFLSA-N 0 0 392.484 3.435 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)NCc2ccnc(O[C@@H](C)CC(C)C)c2)c1C#N ZINC000174855545 1427410068 /nfs/dbraw/zinc/41/00/68/1427410068.db2.gz JIJCHWSCZSTDJF-INIZCTEOSA-N 0 0 394.475 3.330 20 30 GGEDRN Cc1ccc(NC(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000174862036 1427414307 /nfs/dbraw/zinc/41/43/07/1427414307.db2.gz OLUNDGHHFIUXBY-KRWDZBQOSA-N 0 0 391.475 3.043 20 30 GGEDRN Cc1ccc(NC(=O)N2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000174863639 1427415538 /nfs/dbraw/zinc/41/55/38/1427415538.db2.gz LIBFHLXWRMSSAM-UHFFFAOYSA-N 0 0 391.475 3.045 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCOc1ccccc1C(C)C ZINC000174863323 1427415761 /nfs/dbraw/zinc/41/57/61/1427415761.db2.gz OZSFNJLOBWPEDR-UHFFFAOYSA-N 0 0 398.434 3.095 20 30 GGEDRN C[C@H](CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(=O)c1cccc(F)c1 ZINC000174867892 1427417762 /nfs/dbraw/zinc/41/77/62/1427417762.db2.gz JNYYDRKYCFPAIY-DYESRHJHSA-N 0 0 393.462 3.271 20 30 GGEDRN C=CC[C@H](C)NC(=O)C(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2 ZINC000174893662 1427431391 /nfs/dbraw/zinc/43/13/91/1427431391.db2.gz PEGCYIVPMRSTRX-LBPRGKRZSA-N 0 0 378.494 3.213 20 30 GGEDRN C=CC[C@@H](C)NC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@H](C)C2 ZINC000174894141 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Cc1ccc2c(c1)N(C(=O)CCc1c(C)nc3c(C#N)cnn3c1C)C[C@@H](C)O2 ZINC000175043662 1427516033 /nfs/dbraw/zinc/51/60/33/1427516033.db2.gz CVYOAHDOYGTKTJ-CQSZACIVSA-N 0 0 389.459 3.273 20 30 GGEDRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000175045945 1427516818 /nfs/dbraw/zinc/51/68/18/1427516818.db2.gz HFFGTFKPKBYTRU-IRXDYDNUSA-N 0 0 384.501 3.372 20 30 GGEDRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000175045963 1427517668 /nfs/dbraw/zinc/51/76/68/1427517668.db2.gz HFFGTFKPKBYTRU-SJORKVTESA-N 0 0 384.501 3.372 20 30 GGEDRN COc1cc(C#N)cc(Cl)c1OC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000175066762 1427527871 /nfs/dbraw/zinc/52/78/71/1427527871.db2.gz MPCBUQHGLIPHRX-UHFFFAOYSA-N 0 0 375.768 3.170 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@H](Cc3ccccc3)C2)c1 ZINC000175073454 1427532520 /nfs/dbraw/zinc/53/25/20/1427532520.db2.gz VNQGEPCTSVPOOU-LJQANCHMSA-N 0 0 391.471 3.399 20 30 GGEDRN N#CCSc1ccccc1NC(=O)CN1CCC(=O)Nc2cc(F)ccc21 ZINC000175080233 1427536115 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NZOVAHKXGOECEJ-INIZCTEOSA-N 0 0 379.508 3.213 20 30 GGEDRN N#CCSc1cccc(C(=O)Nc2cccnc2N2CCC(CO)CC2)c1 ZINC000175233508 1427615849 /nfs/dbraw/zinc/61/58/49/1427615849.db2.gz RPUXURAKAFSKNT-UHFFFAOYSA-N 0 0 382.489 3.158 20 30 GGEDRN COCCN(C(=O)c1ccc(CNC(=O)C=C(C)C)cc1)c1ccc(C#N)cc1 ZINC000175237799 1427618905 /nfs/dbraw/zinc/61/89/05/1427618905.db2.gz DAIAYKJCMGMHOS-UHFFFAOYSA-N 0 0 391.471 3.434 20 30 GGEDRN Cc1nn(CCC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] ZINC000175261971 1427632483 /nfs/dbraw/zinc/63/24/83/1427632483.db2.gz LFNQSRFGUULROD-UHFFFAOYSA-N 0 0 381.314 3.327 20 30 GGEDRN C[C@H](C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000175263810 1427633027 /nfs/dbraw/zinc/63/30/27/1427633027.db2.gz VOWPBKBJNVPLNQ-HONMWMINSA-N 0 0 393.365 3.079 20 30 GGEDRN CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000175264909 1427634070 /nfs/dbraw/zinc/63/40/70/1427634070.db2.gz HEEZTCVUBILTEC-UHFFFAOYSA-N 0 0 382.363 3.374 20 30 GGEDRN O=C(CCC1CCC1)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1 ZINC000175288477 1427649319 /nfs/dbraw/zinc/64/93/19/1427649319.db2.gz BISHCQVHYFPOQX-UHFFFAOYSA-N 0 0 377.510 3.456 20 30 GGEDRN C[C@@H](CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1)Cc1cccs1 ZINC000175293478 1427651711 /nfs/dbraw/zinc/65/17/11/1427651711.db2.gz CDWHFASSKFSMEV-OAHLLOKOSA-N 0 0 385.489 3.364 20 30 GGEDRN CC(C)C[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735831045 1427658466 /nfs/dbraw/zinc/65/84/66/1427658466.db2.gz MMUDVUMKMGITQD-UHFFFAOYSA-N 0 0 376.464 3.427 20 30 GGEDRN Cc1csc([C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C2CC2)n1 ZINC000175301254 1427659835 /nfs/dbraw/zinc/65/98/35/1427659835.db2.gz RHKFENGOXWSFAB-QGZVFWFLSA-N 0 0 398.488 3.316 20 30 GGEDRN Cc1csc([C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C2CC2)n1 ZINC000175301351 1427660339 /nfs/dbraw/zinc/66/03/39/1427660339.db2.gz FRLPZSOZWBLMDZ-MRXNPFEDSA-N 0 0 382.489 3.459 20 30 GGEDRN Cc1csc([C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C2CC2)n1 ZINC000175307342 1427665435 /nfs/dbraw/zinc/66/54/35/1427665435.db2.gz AMYPGEKSYPBACM-QGZVFWFLSA-N 0 0 398.488 3.340 20 30 GGEDRN Cc1nc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)ccc1C#N ZINC000175317587 1427672895 /nfs/dbraw/zinc/67/28/95/1427672895.db2.gz DJTQNUHFZFPLQD-UHFFFAOYSA-N 0 0 379.811 3.021 20 30 GGEDRN C[S@@](=O)c1ccc(CNC(=O)NCCSCc2ccccc2C#N)cc1 ZINC000175322459 1427677351 /nfs/dbraw/zinc/67/73/51/1427677351.db2.gz LDGCYVSZBTXWLT-AREMUKBSSA-N 0 0 387.530 3.028 20 30 GGEDRN CNS(=O)(=O)c1cccc(C(=O)/C=C/c2coc(-c3ccc(C)cc3)n2)c1 ZINC000175324392 1427679294 /nfs/dbraw/zinc/67/92/94/1427679294.db2.gz TTYFRSNFQWIHGA-ZHACJKMWSA-N 0 0 382.441 3.454 20 30 GGEDRN C#CC[C@@H](OC(=O)CCc1nc(C2(NC(C)=O)CCCCCC2)no1)C1CC1 ZINC000175325975 1427679948 /nfs/dbraw/zinc/67/99/48/1427679948.db2.gz PSNOAUPQQUYZRX-QGZVFWFLSA-N 0 0 387.480 3.033 20 30 GGEDRN C[C@@H](CN1CCOCC1)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000175325375 1427680022 /nfs/dbraw/zinc/68/00/22/1427680022.db2.gz FUBBNPNBEHPYBE-INIZCTEOSA-N 0 0 381.501 3.160 20 30 GGEDRN C#CC[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)C1CC1 ZINC000175328038 1427681683 /nfs/dbraw/zinc/68/16/83/1427681683.db2.gz DGKYLDQOQYQMQC-HXUWFJFHSA-N 0 0 389.517 3.049 20 30 GGEDRN C#CC[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1)C1CC1 ZINC000175334871 1427686391 /nfs/dbraw/zinc/68/63/91/1427686391.db2.gz KTSZTTCXJBQAIO-LJQANCHMSA-N 0 0 389.517 3.049 20 30 GGEDRN C#CC[C@H](OC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C1CC1 ZINC000175341712 1427691752 /nfs/dbraw/zinc/69/17/52/1427691752.db2.gz RALXVWLCELWHRT-BBRMVZONSA-N 0 0 376.250 3.147 20 30 GGEDRN CC[C@H]1COCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000175354054 1427700676 /nfs/dbraw/zinc/70/06/76/1427700676.db2.gz HJPVLXKJMPFMEA-IBGZPJMESA-N 0 0 378.432 3.453 20 30 GGEDRN N#Cc1ccccc1Sc1ccc(C(=O)NCC(=O)NCC(F)(F)F)cc1 ZINC000175356360 1427702003 /nfs/dbraw/zinc/70/20/03/1427702003.db2.gz RROCHOIRZZHNQP-UHFFFAOYSA-N 0 0 393.390 3.118 20 30 GGEDRN N#C[C@H](COC(=O)c1sccc1S(=O)(=O)C(F)F)Cc1ccccc1 ZINC000175357319 1427702642 /nfs/dbraw/zinc/70/26/42/1427702642.db2.gz WIPJJAOZCFVEQE-GFCCVEGCSA-N 0 0 385.413 3.284 20 30 GGEDRN CC(=O)[C@H]1CC(C(=O)OC[C@@H](C#N)Cc2ccccc2)=NN1c1ccccc1 ZINC000175357165 1427702725 /nfs/dbraw/zinc/70/27/25/1427702725.db2.gz CBZDDMLWSKBLCA-WIYYLYMNSA-N 0 0 375.428 3.136 20 30 GGEDRN COc1cc([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)ccc1OCc1ccncc1 ZINC000175356996 1427702734 /nfs/dbraw/zinc/70/27/34/1427702734.db2.gz XBSKTTBVHQNYLQ-CQSZACIVSA-N 0 0 376.416 3.360 20 30 GGEDRN CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)OC[C@@H](C#N)Cc2ccccc2)C1 ZINC000175356930 1427702743 /nfs/dbraw/zinc/70/27/43/1427702743.db2.gz ZVJROCXJIKXZCI-UZLBHIALSA-N 0 0 376.428 3.261 20 30 GGEDRN CCc1nnc(-c2cccc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)c2)o1 ZINC000175356857 1427702773 /nfs/dbraw/zinc/70/27/73/1427702773.db2.gz MTVLTHYESZCUOB-UHFFFAOYSA-N 0 0 399.414 3.191 20 30 GGEDRN CC1(C)Cc2[nH]c(=O)c(C(=O)OC[C@@H](C#N)Cc3ccccc3)cc2C(=O)C1 ZINC000175357577 1427703949 /nfs/dbraw/zinc/70/39/49/1427703949.db2.gz IPVTXBZBAXGHJV-OAHLLOKOSA-N 0 0 378.428 3.069 20 30 GGEDRN N#C[C@@H](COC(=O)c1cc(N2CCNC2=O)ccc1Cl)Cc1ccccc1 ZINC000175361494 1427706167 /nfs/dbraw/zinc/70/61/67/1427706167.db2.gz RJTRXMVLBUWLHE-HNNXBMFYSA-N 0 0 383.835 3.409 20 30 GGEDRN N#C[C@H](COC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)Cc1ccccc1 ZINC000175362600 1427707033 /nfs/dbraw/zinc/70/70/33/1427707033.db2.gz GHVSPTOLOJEAFW-CTNGQTDRSA-N 0 0 376.456 3.464 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)NCc2cc(OC)nc3ccccc23)cc1 ZINC000175371364 1427714628 /nfs/dbraw/zinc/71/46/28/1427714628.db2.gz PDEBMAHRFXQEOL-UHFFFAOYSA-N 0 0 390.443 3.481 20 30 GGEDRN N#C[C@@H](COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)Cc1ccccc1 ZINC000175371934 1427715377 /nfs/dbraw/zinc/71/53/77/1427715377.db2.gz RTCFZYSIZLCXFY-INIZCTEOSA-N 0 0 376.372 3.320 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)NCCc2nc(C(F)(F)F)cs2)cc1 ZINC000175372664 1427715920 /nfs/dbraw/zinc/71/59/20/1427715920.db2.gz VOZVTAXVLRXVCP-UHFFFAOYSA-N 0 0 398.410 3.442 20 30 GGEDRN Cc1c(C(=O)OC[C@H](C#N)Cc2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000175372840 1427715937 /nfs/dbraw/zinc/71/59/37/1427715937.db2.gz BKRASWGIUDMELQ-INIZCTEOSA-N 0 0 391.387 3.023 20 30 GGEDRN CCc1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1[N+](=O)[O-] ZINC000175376634 1427718077 /nfs/dbraw/zinc/71/80/77/1427718077.db2.gz RQKUAYOGNWHMOF-UHFFFAOYSA-N 0 0 394.431 3.242 20 30 GGEDRN C[C@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 ZINC000175377635 1427718856 /nfs/dbraw/zinc/71/88/56/1427718856.db2.gz QCTSSRLWNXXRBO-BAOKRACBSA-N 0 0 392.525 3.296 20 30 GGEDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000175379622 1427719554 /nfs/dbraw/zinc/71/95/54/1427719554.db2.gz UQNMXHXCVNSSSS-AKJBCIBTSA-N 0 0 375.538 3.102 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)CCc1nc2c(cccc2C)[nH]1 ZINC000175379785 1427719659 /nfs/dbraw/zinc/71/96/59/1427719659.db2.gz DKLHIXJDHFLFON-UHFFFAOYSA-N 0 0 376.460 3.351 20 30 GGEDRN N#C[C@@H](COC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)Cc1ccccc1 ZINC000175381662 1427721013 /nfs/dbraw/zinc/72/10/13/1427721013.db2.gz KHUWUAIHBFFSFE-VXKWHMMOSA-N 0 0 390.483 3.393 20 30 GGEDRN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CCc2nc3ccccc3[nH]2)C1=O ZINC000175382402 1427721045 /nfs/dbraw/zinc/72/10/45/1427721045.db2.gz BBWIKVYHHVZIPT-OAQYLSRUSA-N 0 0 399.495 3.198 20 30 GGEDRN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000175382551 1427721255 /nfs/dbraw/zinc/72/12/55/1427721255.db2.gz AATVPVVYYSLGDY-KNQAVFIVSA-N 0 0 376.456 3.448 20 30 GGEDRN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cn(C)c3ccccc23)C1=O ZINC000175384358 1427722572 /nfs/dbraw/zinc/72/25/72/1427722572.db2.gz JETRFJZZXOWNCA-OAQYLSRUSA-N 0 0 384.480 3.494 20 30 GGEDRN N#C[C@@H](COC(=O)CNC(=O)NCc1ccc(Cl)cc1)Cc1ccccc1 ZINC000175385034 1427722810 /nfs/dbraw/zinc/72/28/10/1427722810.db2.gz OORGOXNEGWWSSW-KRWDZBQOSA-N 0 0 385.851 3.065 20 30 GGEDRN N#C[C@H](COC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2)Cc1ccccc1 ZINC000175386343 1427723868 /nfs/dbraw/zinc/72/38/68/1427723868.db2.gz QQBJMJIXMWWMEN-GOSISDBHSA-N 0 0 397.496 3.265 20 30 GGEDRN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(F)cc(C(C)=O)c1O ZINC000819745877 1427727009 /nfs/dbraw/zinc/72/70/09/1427727009.db2.gz SOJBPEMJXFIFNE-UHFFFAOYSA-N 0 0 381.411 3.102 20 30 GGEDRN C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820413516 1427733369 /nfs/dbraw/zinc/73/33/69/1427733369.db2.gz RGGLUNWNOYWPFY-VXGBXAGGSA-N 0 0 395.854 3.070 20 30 GGEDRN CCCNc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)NC(=O)CCN2C ZINC000175401175 1427733660 /nfs/dbraw/zinc/73/36/60/1427733660.db2.gz DGOVJAHKLDDHPL-UHFFFAOYSA-N 0 0 377.448 3.411 20 30 GGEDRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000175402398 1427733705 /nfs/dbraw/zinc/73/37/05/1427733705.db2.gz CPKUWZHFHMQQPD-CRYYWNKWSA-N 0 0 383.517 3.364 20 30 GGEDRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(C#N)c1 ZINC000175443622 1427757073 /nfs/dbraw/zinc/75/70/73/1427757073.db2.gz BQIGQWAWIJEFMW-MSOLQXFVSA-N 0 0 386.496 3.441 20 30 GGEDRN N#Cc1cccc(CNC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)c1 ZINC000175442930 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GGEDRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)CCc1ccc(C#N)cc1 ZINC000175729708 1427872085 /nfs/dbraw/zinc/87/20/85/1427872085.db2.gz GKFFPWSJIFECDZ-UHFFFAOYSA-N 0 0 385.851 3.298 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000175731271 1427872327 /nfs/dbraw/zinc/87/23/27/1427872327.db2.gz UOFPMYOEDOXWDA-UHFFFAOYSA-N 0 0 377.510 3.432 20 30 GGEDRN C[C@@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)CN1CCOCC1 ZINC000175734215 1427873234 /nfs/dbraw/zinc/87/32/34/1427873234.db2.gz AIZOAUHGPLHURJ-KRWDZBQOSA-N 0 0 395.528 3.408 20 30 GGEDRN Cc1occc1C(=O)NC1CCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC000175752290 1427878914 /nfs/dbraw/zinc/87/89/14/1427878914.db2.gz VPOXMEOUGLRNRF-UHFFFAOYSA-N 0 0 383.473 3.238 20 30 GGEDRN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000175756432 1427880717 /nfs/dbraw/zinc/88/07/17/1427880717.db2.gz LJOFCYZGEGJZIU-BFUOFWGJSA-N 0 0 379.395 3.081 20 30 GGEDRN C[C@@H](OC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc(C#N)cc1 ZINC000175761035 1427882164 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ZINC000175783592 1427891165 /nfs/dbraw/zinc/89/11/65/1427891165.db2.gz LZBZOWUZLTZUTL-UHFFFAOYSA-N 0 0 390.447 3.015 20 30 GGEDRN CCCNc1ccc(C#N)cc1NC(=O)CCc1c(C)nc2cc(=O)[nH]n2c1C ZINC000175784581 1427891290 /nfs/dbraw/zinc/89/12/90/1427891290.db2.gz WSBMQFUNCMFHRS-UHFFFAOYSA-N 0 0 392.463 3.317 20 30 GGEDRN C[C@H](OC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)c1ccc(C#N)cc1 ZINC000175783815 1427891394 /nfs/dbraw/zinc/89/13/94/1427891394.db2.gz VLTKDEUXYGDLDI-KGLIPLIRSA-N 0 0 384.457 3.187 20 30 GGEDRN CCCNc1ccc(C#N)cc1NC(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000175791411 1427894333 /nfs/dbraw/zinc/89/43/33/1427894333.db2.gz BYRZZSNMFZJURV-UHFFFAOYSA-N 0 0 377.452 3.373 20 30 GGEDRN COc1cccc(/C=C(\C(=O)O[C@H](C)c2ccc(C#N)cc2)n2nnnc2C)c1 ZINC000175792052 1427894367 /nfs/dbraw/zinc/89/43/67/1427894367.db2.gz LQGDKSFTEYNJLW-MQMKENTISA-N 0 0 389.415 3.164 20 30 GGEDRN Cc1c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000175792710 1427894765 /nfs/dbraw/zinc/89/47/65/1427894765.db2.gz FTSCDBTZYSMXQA-ZDUSSCGKSA-N 0 0 377.360 3.274 20 30 GGEDRN CCCCS(=O)(=O)N1CCC(C(=O)O[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000175793068 1427894838 /nfs/dbraw/zinc/89/48/38/1427894838.db2.gz BZFAYMQSENMIAI-OAHLLOKOSA-N 0 0 378.494 3.004 20 30 GGEDRN CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000175792686 1427894921 /nfs/dbraw/zinc/89/49/21/1427894921.db2.gz DGSSJIVMUSUYSZ-KRWDZBQOSA-N 0 0 385.512 3.396 20 30 GGEDRN C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc(C#N)cc1 ZINC000175796844 1427896676 /nfs/dbraw/zinc/89/66/76/1427896676.db2.gz BRUNGEMPFKZQFK-LBPRGKRZSA-N 0 0 392.864 3.380 20 30 GGEDRN Cc1cc(=O)c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)nn1-c1ccccc1F ZINC000175798266 1427897156 /nfs/dbraw/zinc/89/71/56/1427897156.db2.gz SPWXARBEDPLFCE-AWEZNQCLSA-N 0 0 377.375 3.470 20 30 GGEDRN C[C@@H](OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccc(C#N)cc1 ZINC000175799778 1427897395 /nfs/dbraw/zinc/89/73/95/1427897395.db2.gz PHFCMCCYLBJSQB-DNVCBOLYSA-N 0 0 384.457 3.016 20 30 GGEDRN 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SALAMLPBPQWHIV-OAHLLOKOSA-N 0 0 394.435 3.499 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2O)CC1 ZINC000180389334 1429854026 /nfs/dbraw/zinc/85/40/26/1429854026.db2.gz SXVUWBRXHIEOMV-UHFFFAOYSA-N 0 0 393.340 3.384 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)c1cccc(Br)n1 ZINC000180393260 1429854919 /nfs/dbraw/zinc/85/49/19/1429854919.db2.gz IRSWEZWYGPHNNM-UHFFFAOYSA-N 0 0 376.279 3.379 20 30 GGEDRN CCOc1ccc([C@H](NS(=O)(=O)CC2(C#N)CC2)C(C)C)cc1OCC ZINC000180394974 1429855965 /nfs/dbraw/zinc/85/59/65/1429855965.db2.gz PZXICUNJUSBXOU-GOSISDBHSA-N 0 0 380.510 3.404 20 30 GGEDRN CCOc1ccc(CCC2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)cc1 ZINC000180395845 1429856249 /nfs/dbraw/zinc/85/62/49/1429856249.db2.gz KOXHBUYCXDWUEF-UHFFFAOYSA-N 0 0 376.522 3.363 20 30 GGEDRN Cc1nn(C(C)(C)C)c(=O)n1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000180398379 1429857137 /nfs/dbraw/zinc/85/71/37/1429857137.db2.gz VZAFGKUWEUOMQI-UHFFFAOYSA-N 0 0 389.887 3.017 20 30 GGEDRN N#Cc1ncn(CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)c1C#N ZINC000180413103 1429861766 /nfs/dbraw/zinc/86/17/66/1429861766.db2.gz FAXNYBMFKMSLAJ-UHFFFAOYSA-N 0 0 385.431 3.108 20 30 GGEDRN CC1(C)CN(CC(F)(F)F)CCN1C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000180415743 1429862610 /nfs/dbraw/zinc/86/26/10/1429862610.db2.gz YBSKEEYZPRKCMM-VMPITWQZSA-N 0 0 381.398 3.087 20 30 GGEDRN CCOC(=O)c1sc2nc(CN(C)Cc3ccc(C#N)cc3)nc(N)c2c1C ZINC000180416096 1429862636 /nfs/dbraw/zinc/86/26/36/1429862636.db2.gz YCLSYGFCCVVFBR-UHFFFAOYSA-N 0 0 395.488 3.262 20 30 GGEDRN CCOC(=O)c1sc2nc(CN(C)Cc3cccc(C#N)c3)nc(N)c2c1C ZINC000180416030 1429862697 /nfs/dbraw/zinc/86/26/97/1429862697.db2.gz SAIVBXBKYYHQEB-UHFFFAOYSA-N 0 0 395.488 3.262 20 30 GGEDRN Cc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1S(=O)(=O)Nc1ccccc1 ZINC000180423746 1429865499 /nfs/dbraw/zinc/86/54/99/1429865499.db2.gz JYUXIEBRTWEITM-UHFFFAOYSA-N 0 0 380.429 3.248 20 30 GGEDRN CC(C)S(=O)(=O)c1ccc(CC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000180431585 1429867803 /nfs/dbraw/zinc/86/78/03/1429867803.db2.gz UUKOZZICZPPTEE-UHFFFAOYSA-N 0 0 396.512 3.474 20 30 GGEDRN CCc1cc(NC(=O)C(=O)NCCSCc2ccccc2C#N)ccc1C ZINC000180481461 1429879615 /nfs/dbraw/zinc/87/96/15/1429879615.db2.gz HITXWBKHQPJBSF-UHFFFAOYSA-N 0 0 381.501 3.417 20 30 GGEDRN C=CCn1c(COc2ccccc2F)nnc1SCN1CCCCC1=O ZINC000180486643 1429881189 /nfs/dbraw/zinc/88/11/89/1429881189.db2.gz PWNZOTGXHQSUKI-UHFFFAOYSA-N 0 0 376.457 3.244 20 30 GGEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CSC2=Nc3ccccc3CS2)CC1 ZINC000180498441 1429883031 /nfs/dbraw/zinc/88/30/31/1429883031.db2.gz VYWCXGDVNDWRPN-QGZVFWFLSA-N 0 0 388.562 3.346 20 30 GGEDRN COc1cc(NC(=O)CN(C)Cc2ccc(N(C)CCC#N)cc2)cc(OC)c1 ZINC000180500960 1429883712 /nfs/dbraw/zinc/88/37/12/1429883712.db2.gz LSXDKVKPEIHJQA-UHFFFAOYSA-N 0 0 396.491 3.124 20 30 GGEDRN CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cc(F)c(F)c(F)c1 ZINC000180505520 1429884717 /nfs/dbraw/zinc/88/47/17/1429884717.db2.gz ZOKZQHPNEGTRJN-UHFFFAOYSA-N 0 0 399.376 3.232 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@]1(C)CCCc2ccccc21 ZINC000180507370 1429885358 /nfs/dbraw/zinc/88/53/58/1429885358.db2.gz CJEPJGVXVYJZRW-HSZRJFAPSA-N 0 0 391.471 3.306 20 30 GGEDRN Cn1c2ccccc2nc1[C@H](C#N)C(=O)Nc1cccc(-c2nnc3n2CCC3)c1 ZINC000180508151 1429885548 /nfs/dbraw/zinc/88/55/48/1429885548.db2.gz VWUDWTIOUQTVFN-INIZCTEOSA-N 0 0 397.442 3.024 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000180509963 1429885810 /nfs/dbraw/zinc/88/58/10/1429885810.db2.gz JSDANTBGVVGAFI-OXJNMPFZSA-N 0 0 386.835 3.245 20 30 GGEDRN CCN(CC)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 ZINC000180532289 1429891761 /nfs/dbraw/zinc/89/17/61/1429891761.db2.gz BUAZROMJVCGOPR-GOSISDBHSA-N 0 0 386.496 3.118 20 30 GGEDRN C#CCSCCNC(=O)C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1 ZINC000180577539 1429906679 /nfs/dbraw/zinc/90/66/79/1429906679.db2.gz KKWUOAJHEPPIIX-UHFFFAOYSA-N 0 0 391.512 3.017 20 30 GGEDRN CCc1cc(NC(=O)C(=O)N(CCOC)Cc2ccc(C#N)cc2)ccc1C ZINC000180579206 1429908091 /nfs/dbraw/zinc/90/80/91/1429908091.db2.gz OEEIDQMRHLKSCT-UHFFFAOYSA-N 0 0 379.460 3.043 20 30 GGEDRN N#Cc1c(NC(=O)CN2CCCN(CC(F)F)CC2)sc2c1CCCCC2 ZINC000180582649 1429911680 /nfs/dbraw/zinc/91/16/80/1429911680.db2.gz BQFQGLHDLDAZAH-UHFFFAOYSA-N 0 0 396.507 3.100 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1cccc(OC2CCCC2)c1 ZINC000180586012 1429913939 /nfs/dbraw/zinc/91/39/39/1429913939.db2.gz DFQVZZWWJWEALI-QGZVFWFLSA-N 0 0 377.492 3.380 20 30 GGEDRN C=CCOc1ccc(CN2CCN(c3nccnc3C#N)C[C@H]2C)cc1Cl ZINC000180585315 1429914060 /nfs/dbraw/zinc/91/40/60/1429914060.db2.gz JDWUPGJNBLURAV-OAHLLOKOSA-N 0 0 383.883 3.277 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000180587245 1429915266 /nfs/dbraw/zinc/91/52/66/1429915266.db2.gz HGDHFYJNMHOGIC-GFCCVEGCSA-N 0 0 379.361 3.217 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1cnc(-c2cccs2)s1 ZINC000180588495 1429915490 /nfs/dbraw/zinc/91/54/90/1429915490.db2.gz WFJLNLPXMRHWBM-CYBMUJFWSA-N 0 0 382.518 3.244 20 30 GGEDRN CCCCOc1cc(CN2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1OC ZINC000180587292 1429915500 /nfs/dbraw/zinc/91/55/00/1429915500.db2.gz KDMYKPIMPWNVIL-KRWDZBQOSA-N 0 0 395.507 3.246 20 30 GGEDRN COc1c(Cl)cc(Cl)cc1CN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000180588270 1429915579 /nfs/dbraw/zinc/91/55/79/1429915579.db2.gz NVOUDUACBMZVRG-GFCCVEGCSA-N 0 0 392.290 3.374 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1cc(C(F)(F)F)ccc1F ZINC000180588878 1429916254 /nfs/dbraw/zinc/91/62/54/1429916254.db2.gz HTFDUOBRRPVQFC-GFCCVEGCSA-N 0 0 379.361 3.217 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000180591938 1429918066 /nfs/dbraw/zinc/91/80/66/1429918066.db2.gz CZRHGUGJZRQTLO-INIZCTEOSA-N 0 0 381.542 3.260 20 30 GGEDRN CS(=O)(=O)c1ccc(C(=O)Oc2ccc(C#N)cc2F)cc1Br ZINC000180593739 1429919077 /nfs/dbraw/zinc/91/90/77/1429919077.db2.gz ICKFPQQFRNFLHO-UHFFFAOYSA-N 0 0 398.209 3.083 20 30 GGEDRN COC(=O)C[C@H](NC(=O)c1ccc(C#N)cn1)c1ccc(C(F)(F)F)cc1 ZINC000180603599 1429927342 /nfs/dbraw/zinc/92/73/42/1429927342.db2.gz GUMCCTDFLLBZID-HNNXBMFYSA-N 0 0 377.322 3.006 20 30 GGEDRN COC(=O)C[C@@H](NC(=O)c1ccc(C#N)cn1)c1ccc(C(F)(F)F)cc1 ZINC000180603616 1429927648 /nfs/dbraw/zinc/92/76/48/1429927648.db2.gz GUMCCTDFLLBZID-OAHLLOKOSA-N 0 0 377.322 3.006 20 30 GGEDRN C#CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000180606570 1429929680 /nfs/dbraw/zinc/92/96/80/1429929680.db2.gz MUGZGHGMJQTZEH-UHFFFAOYSA-N 0 0 387.476 3.212 20 30 GGEDRN Cc1nc([C@H](NC(=O)Cc2ccc(OCC#N)cc2)c2ccc(Cl)cc2)no1 ZINC000180610547 1429932272 /nfs/dbraw/zinc/93/22/72/1429932272.db2.gz RIEBHTXYLAODTO-LJQANCHMSA-N 0 0 396.834 3.382 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000180610730 1429932457 /nfs/dbraw/zinc/93/24/57/1429932457.db2.gz CETINNFYLANYLH-UHFFFAOYSA-N 0 0 396.512 3.498 20 30 GGEDRN CN(C)C(=O)NCCNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000180623361 1429938403 /nfs/dbraw/zinc/93/84/03/1429938403.db2.gz MIVYSHWQXTZTCZ-UHFFFAOYSA-N 0 0 386.839 3.005 20 30 GGEDRN COc1cc(CON=C(N)c2ccsc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180625684 1429940151 /nfs/dbraw/zinc/94/01/51/1429940151.db2.gz DIRMKZGPJWGXKX-UHFFFAOYSA-N 0 0 387.364 3.146 20 30 GGEDRN C[C@H](C#N)NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000180635820 1429946582 /nfs/dbraw/zinc/94/65/82/1429946582.db2.gz IHKUFCFGTKFSKM-GFCCVEGCSA-N 0 0 391.349 3.365 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)cc1 ZINC000180637015 1429947390 /nfs/dbraw/zinc/94/73/90/1429947390.db2.gz KOYUXAIHMAOLRB-IAGOWNOFSA-N 0 0 381.457 3.130 20 30 GGEDRN C=C(C)CN(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1-n1nc(C)cc1C ZINC000180658066 1429961097 /nfs/dbraw/zinc/96/10/97/1429961097.db2.gz FUVGENAHQUJAOG-UHFFFAOYSA-N 0 0 394.397 3.481 20 30 GGEDRN C=CC[C@@H](C)NC(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000180676590 1429969892 /nfs/dbraw/zinc/96/98/92/1429969892.db2.gz ASTQSKZHIRFFNX-CJNGLKHVSA-N 0 0 383.414 3.460 20 30 GGEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)C2(C(N)=O)CCCC2)c1C#N ZINC000180686847 1429976943 /nfs/dbraw/zinc/97/69/43/1429976943.db2.gz PAXFQTTWVILIMN-UHFFFAOYSA-N 0 0 399.539 3.150 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000180697579 1429984023 /nfs/dbraw/zinc/98/40/23/1429984023.db2.gz YRPWVPUZWDFZSN-CQSZACIVSA-N 0 0 385.386 3.379 20 30 GGEDRN CN(CCC#N)c1ccc(CN2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000180716461 1429997270 /nfs/dbraw/zinc/99/72/70/1429997270.db2.gz SASOHIDPSBNJNH-GOTSBHOMSA-N 0 0 379.504 3.361 20 30 GGEDRN N#CCCN(C(=O)CNc1ccccc1C(=O)N1CCCC1)c1ccccc1 ZINC000180727254 1430002951 /nfs/dbraw/zinc/00/29/51/1430002951.db2.gz FCHQPFHAYNLYGA-UHFFFAOYSA-N 0 0 376.460 3.281 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](CC2CCC2)c2ccccc2)n1 ZINC000180731497 1430005819 /nfs/dbraw/zinc/00/58/19/1430005819.db2.gz JEDLKJYDUTYLOJ-GOSISDBHSA-N 0 0 379.464 3.322 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000180734545 1430007300 /nfs/dbraw/zinc/00/73/00/1430007300.db2.gz XSFSLSLJQGFUAD-RDJZCZTQSA-N 0 0 398.818 3.298 20 30 GGEDRN COc1cccc2c1CCN(C(=O)CCCC(=O)Nc1ccccc1C#N)C2 ZINC000180748934 1430015953 /nfs/dbraw/zinc/01/59/53/1430015953.db2.gz IUUUHTXFNMYGPK-UHFFFAOYSA-N 0 0 377.444 3.261 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1C#N ZINC000180751266 1430017537 /nfs/dbraw/zinc/01/75/37/1430017537.db2.gz XFZRHNHKYRXTEH-MSOLQXFVSA-N 0 0 383.835 3.105 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1C#N ZINC000180751284 1430018040 /nfs/dbraw/zinc/01/80/40/1430018040.db2.gz XFZRHNHKYRXTEH-ROUUACIJSA-N 0 0 383.835 3.105 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)NCc2ccccc2N2CCCCC2)ccc1Cl ZINC000180763556 1430026002 /nfs/dbraw/zinc/02/60/02/1430026002.db2.gz VISVVLRAJCQXGF-UHFFFAOYSA-N 0 0 396.878 3.457 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(=O)[nH]c3c(F)cc(C)cc23)c1 ZINC000180785694 1430037993 /nfs/dbraw/zinc/03/79/93/1430037993.db2.gz UNJFALNZQXCCAR-UHFFFAOYSA-N 0 0 391.402 3.080 20 30 GGEDRN C#CCOc1ccc(CN(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)cc1 ZINC000180795830 1430044956 /nfs/dbraw/zinc/04/49/56/1430044956.db2.gz RBPCZKBNBHRSDF-SFHVURJKSA-N 0 0 375.877 3.312 20 30 GGEDRN CCC(CC)[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CCO1 ZINC000180796927 1430045896 /nfs/dbraw/zinc/04/58/96/1430045896.db2.gz VGZFVQNTJNFXAI-WBVHZDCISA-N 0 0 377.872 3.250 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@H](C)CCO)cc1 ZINC000180797589 1430046085 /nfs/dbraw/zinc/04/60/85/1430046085.db2.gz OCANLHQLPINAGL-QGZVFWFLSA-N 0 0 381.476 3.407 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000180813502 1430054390 /nfs/dbraw/zinc/05/43/90/1430054390.db2.gz NYYBCDSHMRVCCQ-UHFFFAOYSA-N 0 0 391.330 3.364 20 30 GGEDRN CCC1(CC)[C@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)[C@@H](C)[C@@H]1OC ZINC000180825652 1430059816 /nfs/dbraw/zinc/05/98/16/1430059816.db2.gz PMXYHLNRVNOTCB-GBLZOACLSA-N 0 0 397.523 3.106 20 30 GGEDRN CC[C@@H](C)Oc1cc(CNC(=O)CCc2c(C)nn(CCC#N)c2C)ccn1 ZINC000180830598 1430061678 /nfs/dbraw/zinc/06/16/78/1430061678.db2.gz HUKUHQMWFMFLSL-OAHLLOKOSA-N 0 0 383.496 3.235 20 30 GGEDRN COc1ccc(CN2CCN(CC(F)(F)F)[C@@H](C)C2)cc1OCCCC#N ZINC000180835571 1430063700 /nfs/dbraw/zinc/06/37/00/1430063700.db2.gz AHFCWPRLSKZHJQ-HNNXBMFYSA-N 0 0 385.430 3.446 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1oc(-c2ccccc2)nc1C ZINC000180838842 1430065188 /nfs/dbraw/zinc/06/51/88/1430065188.db2.gz FHKWBCSZLKPVLB-UHFFFAOYSA-N 0 0 393.403 3.189 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1csc2c1CC[C@H](C)C2 ZINC000180844226 1430066427 /nfs/dbraw/zinc/06/64/27/1430066427.db2.gz PSALGFWDNGKYSC-LBPRGKRZSA-N 0 0 386.477 3.412 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@H](C)Cc1ccccc1Cl ZINC000180844133 1430066465 /nfs/dbraw/zinc/06/64/65/1430066465.db2.gz YHCZEIKKQOLJRN-CYBMUJFWSA-N 0 0 388.855 3.444 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1nc(-c2ccccc2)cs1 ZINC000180843106 1430066599 /nfs/dbraw/zinc/06/65/99/1430066599.db2.gz SBVHKCKYWPQHKA-UHFFFAOYSA-N 0 0 395.444 3.349 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000180845142 1430066984 /nfs/dbraw/zinc/06/69/84/1430066984.db2.gz XXGGQJNDVSOAAY-UHFFFAOYSA-N 0 0 398.316 3.384 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cccc(-n2cccc2)c1 ZINC000180846482 1430067965 /nfs/dbraw/zinc/06/79/65/1430067965.db2.gz MAJWPSSGZCPJPS-UHFFFAOYSA-N 0 0 377.404 3.016 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cc(F)c(F)cc1Cl ZINC000180848386 1430068265 /nfs/dbraw/zinc/06/82/65/1430068265.db2.gz VPRXRZRBDTWJMS-UHFFFAOYSA-N 0 0 382.754 3.157 20 30 GGEDRN N#Cc1ccc(NCCCCCCCNc2ccc(-c3nn[n-]n3)cn2)nc1 ZINC000822830097 1430079449 /nfs/dbraw/zinc/07/94/49/1430079449.db2.gz UPVULENDKMPTLY-UHFFFAOYSA-N 0 0 377.456 3.003 20 30 GGEDRN Cc1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)nn1-c1ccc(C)cc1 ZINC000180872306 1430080070 /nfs/dbraw/zinc/08/00/70/1430080070.db2.gz ISXUALCYNCSIIN-JOCHJYFZSA-N 0 0 399.498 3.339 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)c1C#N ZINC000180887083 1430090632 /nfs/dbraw/zinc/09/06/32/1430090632.db2.gz CXZPFCSLFOGUEH-MRXNPFEDSA-N 0 0 383.835 3.489 20 30 GGEDRN CCOCCN(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000180889496 1430092025 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GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1C ZINC000180943022 1430127425 /nfs/dbraw/zinc/12/74/25/1430127425.db2.gz MHRDBNUUFSVSKB-MRXNPFEDSA-N 0 0 375.538 3.348 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000180945614 1430128749 /nfs/dbraw/zinc/12/87/49/1430128749.db2.gz LYPXFWUHOADBKC-MRXNPFEDSA-N 0 0 395.507 3.471 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 ZINC000180946913 1430129543 /nfs/dbraw/zinc/12/95/43/1430129543.db2.gz JIGCVSPHAPBQTI-CYBMUJFWSA-N 0 0 399.413 3.007 20 30 GGEDRN C=CCNC(=O)CN[C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC000180953966 1430132740 /nfs/dbraw/zinc/13/27/40/1430132740.db2.gz BGGVRWXEFYCUPW-LJQANCHMSA-N 0 0 383.492 3.297 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000180958089 1430135502 /nfs/dbraw/zinc/13/55/02/1430135502.db2.gz KJHOOWUMEHNKCB-IEBWSBKVSA-N 0 0 398.459 3.288 20 30 GGEDRN CCOCCN(C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000181002778 1430161403 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GGEDRN COCc1nnc(-c2cccc(C(=O)OC[C@H](C#N)Cc3ccccc3)c2)o1 ZINC000181121559 1430217733 /nfs/dbraw/zinc/21/77/33/1430217733.db2.gz LBTDOLDUJCAVFW-INIZCTEOSA-N 0 0 377.400 3.422 20 30 GGEDRN N#CC1(CS(=O)(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CC1 ZINC000181123603 1430218139 /nfs/dbraw/zinc/21/81/39/1430218139.db2.gz BGGWZHLYHHZFMM-UHFFFAOYSA-N 0 0 390.486 3.159 20 30 GGEDRN C=CCNC(=O)CNC(=O)N[C@@H](c1ccc(C)cc1)c1ccc(F)cc1Cl ZINC000181145626 1430225561 /nfs/dbraw/zinc/22/55/61/1430225561.db2.gz LAKCEQDBFUVSCH-IBGZPJMESA-N 0 0 389.858 3.478 20 30 GGEDRN CCN(C(=O)Nc1cccc(C#Cc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000181148226 1430226632 /nfs/dbraw/zinc/22/66/32/1430226632.db2.gz SPBLTTKKTGOMST-HXUWFJFHSA-N 0 0 382.485 3.127 20 30 GGEDRN N#Cc1ccc(OC[C@H](O)CSc2n[nH]c(-c3cc(F)cc(F)c3)n2)cc1 ZINC000181156532 1430230470 /nfs/dbraw/zinc/23/04/70/1430230470.db2.gz ZXNIDWFRANDPLM-HNNXBMFYSA-N 0 0 388.399 3.154 20 30 GGEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000181177511 1430239005 /nfs/dbraw/zinc/23/90/05/1430239005.db2.gz JCXCPCRKJJTKER-FQEVSTJZSA-N 0 0 391.471 3.137 20 30 GGEDRN C=C(C)COc1cc(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC000823877883 1430239968 /nfs/dbraw/zinc/23/99/68/1430239968.db2.gz JWDFDICCZHCZOD-UHFFFAOYSA-N 0 0 379.464 3.462 20 30 GGEDRN N#Cc1cccc(-c2csc(NC(=O)C(=O)N[C@@H]3CC34CCCCC4)n2)c1 ZINC000181192601 1430244325 /nfs/dbraw/zinc/24/43/25/1430244325.db2.gz LHPUNBFGLRTTGV-MRXNPFEDSA-N 0 0 380.473 3.459 20 30 GGEDRN N#C[C@@H](NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)C1CCCCC1 ZINC000181197462 1430245680 /nfs/dbraw/zinc/24/56/80/1430245680.db2.gz TXGXPZVIWCLMJE-QGZVFWFLSA-N 0 0 398.488 3.232 20 30 GGEDRN C=CCNC(=O)CNC(=O)N[C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000181204286 1430247384 /nfs/dbraw/zinc/24/73/84/1430247384.db2.gz GUTKWXNZJQUDPO-IBGZPJMESA-N 0 0 387.867 3.039 20 30 GGEDRN N#CCCn1ccc(NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000181213323 1430249092 /nfs/dbraw/zinc/24/90/92/1430249092.db2.gz POCSRXNHWRVUPD-GDBMZVCRSA-N 0 0 377.807 3.241 20 30 GGEDRN N#CCCn1ccc(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000181213339 1430249142 /nfs/dbraw/zinc/24/91/42/1430249142.db2.gz POCSRXNHWRVUPD-ZBFHGGJFSA-N 0 0 377.807 3.241 20 30 GGEDRN N#Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c[nH]1 ZINC000181215830 1430249847 /nfs/dbraw/zinc/24/98/47/1430249847.db2.gz LIINMEWEUJYMCB-IBGZPJMESA-N 0 0 376.485 3.477 20 30 GGEDRN CCC1(CC)[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H](C)[C@@H]1OC ZINC000181225281 1430251437 /nfs/dbraw/zinc/25/14/37/1430251437.db2.gz QQUOWDZFSGRASW-QGTPRVQTSA-N 0 0 385.508 3.382 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)Nc2cnn(-c3ccccc3F)c2)c1 ZINC000181227736 1430251770 /nfs/dbraw/zinc/25/17/70/1430251770.db2.gz YWXCESCJTQPQHL-UHFFFAOYSA-N 0 0 383.770 3.114 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2cnn(-c3ccccc3F)c2)cc1 ZINC000181228206 1430252243 /nfs/dbraw/zinc/25/22/43/1430252243.db2.gz OBMSQZZIQCDPIP-UHFFFAOYSA-N 0 0 391.406 3.390 20 30 GGEDRN O=C(Nc1cnn(CC(F)(F)F)c1)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000181246806 1430255823 /nfs/dbraw/zinc/25/58/23/1430255823.db2.gz XMKYFNAZRKUOPQ-UHFFFAOYSA-N 0 0 398.238 3.181 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000181253248 1430256924 /nfs/dbraw/zinc/25/69/24/1430256924.db2.gz LBRSONVPDZPSEQ-UHFFFAOYSA-N 0 0 399.332 3.340 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)CSc2nnc(C(F)F)n2C)cc1C ZINC000181260870 1430258011 /nfs/dbraw/zinc/25/80/11/1430258011.db2.gz MRWJZSRJIJHSOH-UHFFFAOYSA-N 0 0 379.436 3.409 20 30 GGEDRN CCCC[C@@H](NC(=O)c1c[nH]c(C#N)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000181269387 1430259788 /nfs/dbraw/zinc/25/97/88/1430259788.db2.gz YFUXOMMJLREASL-HXUWFJFHSA-N 0 0 393.491 3.414 20 30 GGEDRN C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(N2CCOC2=O)cc1 ZINC000181270430 1430260118 /nfs/dbraw/zinc/26/01/18/1430260118.db2.gz PQTUWVDGTCMEAI-AWEZNQCLSA-N 0 0 389.415 3.416 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)Cc2cn(-c3ccc(F)c(Cl)c3)nn2)cc1 ZINC000181272342 1430260538 /nfs/dbraw/zinc/26/05/38/1430260538.db2.gz BKZVEUGJFJFLKI-UHFFFAOYSA-N 0 0 390.827 3.046 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)Cc2cn(-c3ccc(F)c(Cl)c3)nn2)c1 ZINC000181276620 1430261256 /nfs/dbraw/zinc/26/12/56/1430261256.db2.gz AZBFCPJIMQQBBE-UHFFFAOYSA-N 0 0 390.827 3.046 20 30 GGEDRN CC1(C)CN([C@H](CNC(=O)c2c[nH]c(C#N)c2)c2ccc(Cl)cc2)CCO1 ZINC000181282057 1430262314 /nfs/dbraw/zinc/26/23/14/1430262314.db2.gz BPRWLWGAERWHGN-GOSISDBHSA-N 0 0 386.883 3.122 20 30 GGEDRN C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(N2CCOC2=O)c1 ZINC000181303748 1430268133 /nfs/dbraw/zinc/26/81/33/1430268133.db2.gz QHFXQNCLQBJBOI-CQSZACIVSA-N 0 0 389.415 3.416 20 30 GGEDRN C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(N2CCOC2=O)c1 ZINC000181303734 1430268322 /nfs/dbraw/zinc/26/83/22/1430268322.db2.gz QHFXQNCLQBJBOI-AWEZNQCLSA-N 0 0 389.415 3.416 20 30 GGEDRN Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181309976 1430269559 /nfs/dbraw/zinc/26/95/59/1430269559.db2.gz UZZZKMYADHWAPQ-UHFFFAOYSA-N 0 0 378.457 3.008 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)n1 ZINC000181317090 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O=C(NC[C@H]1COC2(CCOCC2)O1)Nc1cccc(C#Cc2ccccc2)c1 ZINC000182089575 1430409760 /nfs/dbraw/zinc/40/97/60/1430409760.db2.gz BPLQTYDMFBVVLI-NRFANRHFSA-N 0 0 392.455 3.130 20 30 GGEDRN CC(C)(C)N1C[C@H](NC(=O)c2ccccc2Oc2ccccc2C#N)CC1=O ZINC000182091708 1430410023 /nfs/dbraw/zinc/41/00/23/1430410023.db2.gz WYQAEIMGSROLCP-MRXNPFEDSA-N 0 0 377.444 3.480 20 30 GGEDRN CCCc1c(NC(=O)C(=O)Nc2cccc(C#N)c2)cnn1-c1cccc(F)c1 ZINC000182100307 1430411634 /nfs/dbraw/zinc/41/16/34/1430411634.db2.gz YMILLEMMBUQHJP-UHFFFAOYSA-N 0 0 391.406 3.413 20 30 GGEDRN CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 ZINC000182104216 1430412471 /nfs/dbraw/zinc/41/24/71/1430412471.db2.gz MUDDORVYCBWYDX-LBPRGKRZSA-N 0 0 376.409 3.162 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000182110846 1430413688 /nfs/dbraw/zinc/41/36/88/1430413688.db2.gz KRCIFKWMUSNOER-JOTOCRJQSA-N 0 0 381.407 3.275 20 30 GGEDRN C=C(C)CN(CC)C(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000182120378 1430415628 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3.289 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@H](C)C[C@H]2c2cccnc2)cc1C#N ZINC000182961705 1430581113 /nfs/dbraw/zinc/58/11/13/1430581113.db2.gz WCFMABXHAUNKKN-BEFAXECRSA-N 0 0 392.459 3.289 20 30 GGEDRN CCOC(=O)c1c(NC(=O)c2cc3cc(F)ccc3o2)c(C#N)cn1CCOC ZINC000182989908 1430586862 /nfs/dbraw/zinc/58/68/62/1430586862.db2.gz VMYXGKXKZKDPOO-UHFFFAOYSA-N 0 0 399.378 3.320 20 30 GGEDRN CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2F)c(C#N)cn1CCOC ZINC000182990767 1430587100 /nfs/dbraw/zinc/58/71/00/1430587100.db2.gz GZOCHEPRUYOQMK-UHFFFAOYSA-N 0 0 393.802 3.228 20 30 GGEDRN CCOC(=O)c1c(NC(=O)c2cc(F)c(C)cc2F)c(C#N)cn1CCOC ZINC000182992486 1430587538 /nfs/dbraw/zinc/58/75/38/1430587538.db2.gz YGQGVEHFXNQLHP-UHFFFAOYSA-N 0 0 391.374 3.022 20 30 GGEDRN CCOC(=O)c1c(NC(=O)c2cccc(Cl)c2F)c(C#N)cn1CCOC ZINC000182992611 1430587544 /nfs/dbraw/zinc/58/75/44/1430587544.db2.gz UWKJTTWYVMDOBB-UHFFFAOYSA-N 0 0 393.802 3.228 20 30 GGEDRN CCOC(=O)c1c(NC(=O)c2ccc(C)c(Cl)c2)c(C#N)cn1CCOC ZINC000182993238 1430587550 /nfs/dbraw/zinc/58/75/50/1430587550.db2.gz IKUMEODYAWGVTD-UHFFFAOYSA-N 0 0 389.839 3.397 20 30 GGEDRN CCOC(=O)c1c(NC(=O)c2ccc(Cl)c(C)c2)c(C#N)cn1CCOC ZINC000182993893 1430587825 /nfs/dbraw/zinc/58/78/25/1430587825.db2.gz DWGVRWQIBWLTOL-UHFFFAOYSA-N 0 0 389.839 3.397 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1cc(C2CCCC2)nn1C ZINC000182997648 1430588386 /nfs/dbraw/zinc/58/83/86/1430588386.db2.gz TURJKDSHGKVBDK-UHFFFAOYSA-N 0 0 396.491 3.240 20 30 GGEDRN CS(=O)(=O)C1CCC(NC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000182996914 1430588653 /nfs/dbraw/zinc/58/86/53/1430588653.db2.gz LSYQLXYQRAVGRZ-UHFFFAOYSA-N 0 0 398.484 3.436 20 30 GGEDRN CCOC(=O)c1c(NC(=O)[C@H]2CCCC(C)(C)C2)c(C#N)cn1CCOC ZINC000182999814 1430589139 /nfs/dbraw/zinc/58/91/39/1430589139.db2.gz NSINRDKKGHRQTF-AWEZNQCLSA-N 0 0 375.469 3.338 20 30 GGEDRN CCOC(=O)c1c(NC(=O)[C@@H]2CCCC(C)(C)C2)c(C#N)cn1CCOC ZINC000182999792 1430589205 /nfs/dbraw/zinc/58/92/05/1430589205.db2.gz NSINRDKKGHRQTF-CQSZACIVSA-N 0 0 375.469 3.338 20 30 GGEDRN C[C@@H](Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccc(OCC#N)cc1 ZINC000183002750 1430589991 /nfs/dbraw/zinc/58/99/91/1430589991.db2.gz QJCVUJWRCVMFKQ-CQSZACIVSA-N 0 0 384.867 3.352 20 30 GGEDRN COC(=O)c1cccc2c1CCCN2S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183003800 1430590087 /nfs/dbraw/zinc/59/00/87/1430590087.db2.gz QPXQFZCDMKQNFO-UHFFFAOYSA-N 0 0 390.848 3.140 20 30 GGEDRN CCOC(=O)c1c(NC(=O)CC2(C)CCCCC2)c(C#N)cn1CCOC ZINC000183007474 1430591183 /nfs/dbraw/zinc/59/11/83/1430591183.db2.gz XPXUJDVPAUWBJS-UHFFFAOYSA-N 0 0 375.469 3.482 20 30 GGEDRN CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183017064 1430593646 /nfs/dbraw/zinc/59/36/46/1430593646.db2.gz MDLUFBYSXWJHPT-UHFFFAOYSA-N 0 0 396.827 3.109 20 30 GGEDRN C=CCOCCCC(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000183021566 1430594542 /nfs/dbraw/zinc/59/45/42/1430594542.db2.gz BUEFKBURXIMPCH-QGZVFWFLSA-N 0 0 398.425 3.295 20 30 GGEDRN N#CC1(C(=O)N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCCC1 ZINC000183023279 1430594909 /nfs/dbraw/zinc/59/49/09/1430594909.db2.gz FAWYKJXKTSYDKL-MRXNPFEDSA-N 0 0 393.409 3.397 20 30 GGEDRN C=CCCO[C@H](C)C(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000183022209 1430594964 /nfs/dbraw/zinc/59/49/64/1430594964.db2.gz XECSUVUTRCXXSE-RHSMWYFYSA-N 0 0 398.425 3.294 20 30 GGEDRN N#CCCn1ccc(N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)n1 ZINC000183030426 1430596286 /nfs/dbraw/zinc/59/62/86/1430596286.db2.gz TVZFKUVOVANNBW-MRXNPFEDSA-N 0 0 391.397 3.419 20 30 GGEDRN N#CCCn1ccc(N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)n1 ZINC000183030406 1430596449 /nfs/dbraw/zinc/59/64/49/1430596449.db2.gz TVZFKUVOVANNBW-INIZCTEOSA-N 0 0 391.397 3.419 20 30 GGEDRN Cc1nn(-c2ccccc2)cc1CNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183040523 1430598625 /nfs/dbraw/zinc/59/86/25/1430598625.db2.gz FNLJFUUUPUUJIJ-UHFFFAOYSA-N 0 0 386.864 3.184 20 30 GGEDRN N#CCOc1ccccc1C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183053351 1430600633 /nfs/dbraw/zinc/60/06/33/1430600633.db2.gz XXACAIBYVIHQHZ-UHFFFAOYSA-N 0 0 378.354 3.282 20 30 GGEDRN N#Cc1cnc2c(F)ccc(Cl)c2c1NC[C@@H]1COC2(CCOCC2)O1 ZINC000183070012 1430605060 /nfs/dbraw/zinc/60/50/60/1430605060.db2.gz LEIWNIQWSBCMKY-GFCCVEGCSA-N 0 0 377.803 3.233 20 30 GGEDRN CC(C)OCCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000183075811 1430607120 /nfs/dbraw/zinc/60/71/20/1430607120.db2.gz OLZGNXHXBBWQRZ-GOSISDBHSA-N 0 0 399.878 3.475 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC000183091157 1430610554 /nfs/dbraw/zinc/61/05/54/1430610554.db2.gz BXYXQDCOSMPJFC-UHFFFAOYSA-N 0 0 383.496 3.235 20 30 GGEDRN C[C@H](N[C@H](C[S@](C)=O)c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000183090974 1430610723 /nfs/dbraw/zinc/61/07/23/1430610723.db2.gz MOJHJFIEKZULSN-ZXOPWPEBSA-N 0 0 389.908 3.248 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)CN[C@@H](C[S@](C)=O)c2ccccc2)cc1C ZINC000183104489 1430614213 /nfs/dbraw/zinc/61/42/13/1430614213.db2.gz MKFAYTHMCZHEPL-KMRXNPHXSA-N 0 0 397.544 3.260 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)CN[C@@H](C[S@@](C)=O)c2ccccc2)cc1C ZINC000183104528 1430614272 /nfs/dbraw/zinc/61/42/72/1430614272.db2.gz MKFAYTHMCZHEPL-RBTNQOKQSA-N 0 0 397.544 3.260 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)CN[C@H](C[S@](C)=O)c2ccccc2)cc1C ZINC000183104507 1430614340 /nfs/dbraw/zinc/61/43/40/1430614340.db2.gz MKFAYTHMCZHEPL-PIKZIKFNSA-N 0 0 397.544 3.260 20 30 GGEDRN Cc1sc2nc(CCC(=O)Nc3ccccc3O[C@@H](C)C#N)[nH]c(=O)c2c1C ZINC000183104136 1430614643 /nfs/dbraw/zinc/61/46/43/1430614643.db2.gz ZHXGLPPDMXUABH-NSHDSACASA-N 0 0 396.472 3.464 20 30 GGEDRN C=CCN(C(=O)Nc1ccc(N(C)CCCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000183107091 1430614891 /nfs/dbraw/zinc/61/48/91/1430614891.db2.gz MSDOMLVXPSVRAS-SFHVURJKSA-N 0 0 379.526 3.130 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000183110282 1430616430 /nfs/dbraw/zinc/61/64/30/1430616430.db2.gz TZSIHGGRLPWONE-GFCCVEGCSA-N 0 0 391.349 3.365 20 30 GGEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000183111588 1430616684 /nfs/dbraw/zinc/61/66/84/1430616684.db2.gz CSWYJDZKYTZVTQ-LYZGTLIUSA-N 0 0 397.544 3.260 20 30 GGEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H](C[S@](C)=O)c2ccccc2)c1 ZINC000183111522 1430616956 /nfs/dbraw/zinc/61/69/56/1430616956.db2.gz CSWYJDZKYTZVTQ-KMRXNPHXSA-N 0 0 397.544 3.260 20 30 GGEDRN COC(=O)[C@@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C(=O)OC)C1 ZINC000183118963 1430619331 /nfs/dbraw/zinc/61/93/31/1430619331.db2.gz GXXULHZRPSBHMK-NQIIRXRSSA-N 0 0 392.455 3.152 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)c1C ZINC000183124626 1430621710 /nfs/dbraw/zinc/62/17/10/1430621710.db2.gz QDBZQROZOWWVPP-HBUWYVDXSA-N 0 0 393.491 3.240 20 30 GGEDRN CCC[C@H]1C[C@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 ZINC000183137818 1430625453 /nfs/dbraw/zinc/62/54/53/1430625453.db2.gz YXWYXCIUKFQADR-CVEARBPZSA-N 0 0 398.463 3.050 20 30 GGEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000183139021 1430626373 /nfs/dbraw/zinc/62/63/73/1430626373.db2.gz WNWWIDPLGIHBGR-SNVBAGLBSA-N 0 0 382.390 3.454 20 30 GGEDRN N#CCCn1ccc(NC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000183139046 1430626477 /nfs/dbraw/zinc/62/64/77/1430626477.db2.gz WGYJGUXPTUOGME-HNNXBMFYSA-N 0 0 393.369 3.421 20 30 GGEDRN N#Cc1ccsc1NC(=O)CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183142411 1430627576 /nfs/dbraw/zinc/62/75/76/1430627576.db2.gz RJPZRZWHBHIFDS-UHFFFAOYSA-N 0 0 383.399 3.111 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)CN[C@H](C[S@](C)=O)c2ccccc2)c1C ZINC000183157396 1430632147 /nfs/dbraw/zinc/63/21/47/1430632147.db2.gz RBZCWIJIVAEALP-NGOKVRLYSA-N 0 0 397.544 3.260 20 30 GGEDRN N#CCC[C@@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccc1 ZINC000183157722 1430632505 /nfs/dbraw/zinc/63/25/05/1430632505.db2.gz ZRBFYOZGWTWMCH-OAHLLOKOSA-N 0 0 399.394 3.346 20 30 GGEDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000183157575 1430632937 /nfs/dbraw/zinc/63/29/37/1430632937.db2.gz HUQYIRZIFJBQHA-HNNXBMFYSA-N 0 0 377.397 3.366 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000183171058 1430637865 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1430815210 /nfs/dbraw/zinc/81/52/10/1430815210.db2.gz JNDSNOFIZFKPCH-IRLDBZIGSA-N 0 0 395.890 3.475 20 30 GGEDRN N#C[C@]1(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CCc2ccccc2C1 ZINC000183937653 1430815230 /nfs/dbraw/zinc/81/52/30/1430815230.db2.gz IJHWLFVIYCYGEK-VGSWGCGISA-N 0 0 393.874 3.260 20 30 GGEDRN Cc1nc(COc2cccc(C(=O)N[C@@]3(C#N)CCc4ccccc4C3)c2)no1 ZINC000183938084 1430815529 /nfs/dbraw/zinc/81/55/29/1430815529.db2.gz XTYWRXACJAAJOF-QFIPXVFZSA-N 0 0 388.427 3.138 20 30 GGEDRN Cc1nc(COc2cccc(C(=O)N[C@]3(C#N)CCc4ccccc4C3)c2)no1 ZINC000183938069 1430815581 /nfs/dbraw/zinc/81/55/81/1430815581.db2.gz XTYWRXACJAAJOF-JOCHJYFZSA-N 0 0 388.427 3.138 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC000183941265 1430815790 /nfs/dbraw/zinc/81/57/90/1430815790.db2.gz SCWZQVOFNMMAJQ-UHFFFAOYSA-N 0 0 398.369 3.300 20 30 GGEDRN N#C[C@]1(NC(=O)c2ccn(-c3ccc(F)cc3F)n2)CCc2ccccc2C1 ZINC000183943616 1430816025 /nfs/dbraw/zinc/81/60/25/1430816025.db2.gz OIIJHHGSUOLOCW-NRFANRHFSA-N 0 0 378.382 3.332 20 30 GGEDRN C[C@@H]1CCCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000183945910 1430816384 /nfs/dbraw/zinc/81/63/84/1430816384.db2.gz AGMMREFTACDHJN-MRXNPFEDSA-N 0 0 382.485 3.404 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000183947270 1430816710 /nfs/dbraw/zinc/81/67/10/1430816710.db2.gz VJTQDZXWFNAOTO-HSZRJFAPSA-N 0 0 389.455 3.293 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000183953337 1430817832 /nfs/dbraw/zinc/81/78/32/1430817832.db2.gz XTTJWQQPINFUKS-SFHVURJKSA-N 0 0 399.516 3.389 20 30 GGEDRN N#C[C@]1(NC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)CCc2ccccc2C1 ZINC000183960554 1430819084 /nfs/dbraw/zinc/81/90/84/1430819084.db2.gz AHBTZCRXMBKSBY-SZIFGRNDSA-N 0 0 385.467 3.159 20 30 GGEDRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@@]1(C#N)CCc2ccccc2C1 ZINC000183960678 1430819154 /nfs/dbraw/zinc/81/91/54/1430819154.db2.gz RBUVTESKZACACM-DEOSSOPVSA-N 0 0 398.466 3.239 20 30 GGEDRN CC(C)=CC(=O)NCc1ccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1 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ZINC000184012340 1430828723 /nfs/dbraw/zinc/82/87/23/1430828723.db2.gz PYQCPEPXKKHNGQ-MRXNPFEDSA-N 0 0 390.443 3.483 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCc3c2cccc3C(F)(F)F)c([N+](=O)[O-])c1 ZINC000184025160 1430831074 /nfs/dbraw/zinc/83/10/74/1430831074.db2.gz DEJDOKBEMYETIK-UHFFFAOYSA-N 0 0 397.334 3.237 20 30 GGEDRN CCn1nnnc1-c1cccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)c1 ZINC000184033264 1430832184 /nfs/dbraw/zinc/83/21/84/1430832184.db2.gz FDEKNAMQUUEWPA-ZDUSSCGKSA-N 0 0 377.408 3.295 20 30 GGEDRN C#CCSc1nnc2n1c1ccccc1c(=O)n2-c1cc(C)ccc1OC ZINC000184033612 1430832225 /nfs/dbraw/zinc/83/22/25/1430832225.db2.gz OMMFCTKIQCNXQC-UHFFFAOYSA-N 0 0 376.441 3.076 20 30 GGEDRN CCSCc1cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)no1 ZINC000184036555 1430832451 /nfs/dbraw/zinc/83/24/51/1430832451.db2.gz SVCCVTQGROYCBW-UHFFFAOYSA-N 0 0 384.505 3.147 20 30 GGEDRN CC(C)(C)OCc1cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)no1 ZINC000184036286 1430832532 /nfs/dbraw/zinc/83/25/32/1430832532.db2.gz SVGRXUGEHDJELN-UHFFFAOYSA-N 0 0 396.491 3.209 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)Nc3cc(C)ccn3)c(C#N)c2N)cc1 ZINC000184041736 1430833293 /nfs/dbraw/zinc/83/32/93/1430833293.db2.gz PRQBTDUHMLPJDJ-UHFFFAOYSA-N 0 0 389.463 3.092 20 30 GGEDRN C=CCc1ccc(OCC(=O)Nc2nc3ccccc3n2CCOC)c(OC)c1 ZINC000184069014 1430837202 /nfs/dbraw/zinc/83/72/02/1430837202.db2.gz ZOZIIUSYNSFNGM-UHFFFAOYSA-N 0 0 395.459 3.437 20 30 GGEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@]2(CO)CCOC2)cc1Cl ZINC000184100025 1430841004 /nfs/dbraw/zinc/84/10/04/1430841004.db2.gz JNOXQRXFKPQEPH-PXNSSMCTSA-N 0 0 385.851 3.268 20 30 GGEDRN C=CCOc1ccc(CNc2cccc3c2CCN3C(=O)COC)cc1OC ZINC000184124594 1430844371 /nfs/dbraw/zinc/84/43/71/1430844371.db2.gz ZOKPSYVSUXRSGJ-UHFFFAOYSA-N 0 0 382.460 3.408 20 30 GGEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1CCCCC[C@H]1c1ncon1 ZINC000184135599 1430846097 /nfs/dbraw/zinc/84/60/97/1430846097.db2.gz PIUJPMHIDGSUPM-KRWDZBQOSA-N 0 0 381.436 3.194 20 30 GGEDRN COc1cc(CN2CCN(c3ccc(C#N)cc3F)CC2)c([N+](=O)[O-])cc1F ZINC000184194291 1430854324 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N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCC3=CCCCCC3)C2=O)cc1 ZINC000184253016 1430862781 /nfs/dbraw/zinc/86/27/81/1430862781.db2.gz WTKLXVNFOZKAJJ-LJQANCHMSA-N 0 0 394.475 3.160 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[S@](C)=O ZINC000184253658 1430862802 /nfs/dbraw/zinc/86/28/02/1430862802.db2.gz IKQZOTHWIWFHKU-MHZLTWQESA-N 0 0 385.489 3.117 20 30 GGEDRN CC[C@H]1CN(c2ccccc2)CCN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000184267712 1430865000 /nfs/dbraw/zinc/86/50/00/1430865000.db2.gz NTNNGGRKYBPYOI-KRWDZBQOSA-N 0 0 396.878 3.278 20 30 GGEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C)c1ccccc1 ZINC000184281044 1430867187 /nfs/dbraw/zinc/86/71/87/1430867187.db2.gz RLDJAIHXVKNPCV-GOSISDBHSA-N 0 0 397.450 3.290 20 30 GGEDRN CSc1c(F)cc(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)cc1F ZINC000184286392 1430868263 /nfs/dbraw/zinc/86/82/63/1430868263.db2.gz FARVCHBTCKWQJF-UHFFFAOYSA-N 0 0 375.400 3.155 20 30 GGEDRN N#C[C@@H](C(=O)c1c[nH]nc1-c1c(F)cccc1F)c1nnc2n1CCCCC2 ZINC000184292066 1430868996 /nfs/dbraw/zinc/86/89/96/1430868996.db2.gz UQBVRTHKXHVAAB-NSHDSACASA-N 0 0 382.374 3.163 20 30 GGEDRN COc1ccc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cc1OC(C)C ZINC000184305034 1430871099 /nfs/dbraw/zinc/87/10/99/1430871099.db2.gz HSGQPTVRQFFCJI-UHFFFAOYSA-N 0 0 391.431 3.374 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000184308830 1430871499 /nfs/dbraw/zinc/87/14/99/1430871499.db2.gz PHEOKAZEEVAIDB-QGZVFWFLSA-N 0 0 398.507 3.480 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000184318805 1430872676 /nfs/dbraw/zinc/87/26/76/1430872676.db2.gz XADZCJBMNIPXDC-GOSISDBHSA-N 0 0 394.475 3.206 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000184320029 1430872720 /nfs/dbraw/zinc/87/27/20/1430872720.db2.gz VJBHYKSTAOHPNV-MRXNPFEDSA-N 0 0 382.439 3.466 20 30 GGEDRN Cn1cc([C@@H](NC(=O)NCc2cc(C#N)ccc2F)c2ccc(F)cc2)cn1 ZINC000184318119 1430872748 /nfs/dbraw/zinc/87/27/48/1430872748.db2.gz VCISEFHLQVRHIO-IBGZPJMESA-N 0 0 381.386 3.159 20 30 GGEDRN CN(C)[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000184332642 1430874195 /nfs/dbraw/zinc/87/41/95/1430874195.db2.gz NCBLGJYSIYDBNQ-KRWDZBQOSA-N 0 0 397.422 3.158 20 30 GGEDRN CN(C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000184331982 1430874202 /nfs/dbraw/zinc/87/42/02/1430874202.db2.gz VOCYGQMJTKKWRW-KRWDZBQOSA-N 0 0 397.422 3.158 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000184334144 1430874374 /nfs/dbraw/zinc/87/43/74/1430874374.db2.gz JAWSHKPCHGZWDA-IAGOWNOFSA-N 0 0 398.507 3.480 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000184334080 1430874430 /nfs/dbraw/zinc/87/44/30/1430874430.db2.gz INQHPSBOQYEUNS-OAHLLOKOSA-N 0 0 393.422 3.342 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000184335442 1430874586 /nfs/dbraw/zinc/87/45/86/1430874586.db2.gz TWEDFTSMYFAZSV-INIZCTEOSA-N 0 0 392.459 3.422 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000184339601 1430875083 /nfs/dbraw/zinc/87/50/83/1430875083.db2.gz OVEAFXLYKRPJJM-HNNXBMFYSA-N 0 0 395.419 3.240 20 30 GGEDRN COc1cc(CN2CCN([C@H](C)c3cccc(C#N)c3)CC2)cc(OC)c1OC ZINC000184342642 1430875468 /nfs/dbraw/zinc/87/54/68/1430875468.db2.gz UDFYFJSEZBXMPA-QGZVFWFLSA-N 0 0 395.503 3.463 20 30 GGEDRN CC#CCCCC(=O)N1CCN(CCCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000184353663 1430877074 /nfs/dbraw/zinc/87/70/74/1430877074.db2.gz JAJIWTDLNGFGIX-UHFFFAOYSA-N 0 0 394.519 3.315 20 30 GGEDRN COC(=O)[C@H](C)Cc1ccc(N[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000184354595 1430877289 /nfs/dbraw/zinc/87/72/89/1430877289.db2.gz DVSRSOVANWMQLM-CXAGYDPISA-N 0 0 383.473 3.189 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000184359095 1430878006 /nfs/dbraw/zinc/87/80/06/1430878006.db2.gz PJDKVPPHYLGQRC-QGZVFWFLSA-N 0 0 392.459 3.357 20 30 GGEDRN CNC(=O)CC1S/C(=N/c2ccccc2)N(C[C@@H](C)c2nccs2)C1=O ZINC000184363472 1430878651 /nfs/dbraw/zinc/87/86/51/1430878651.db2.gz 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GGEDRN COCCOc1ccc(C#N)cc1NC(=O)CCc1nnc(C2CCCC2)o1 ZINC000184453226 1430889720 /nfs/dbraw/zinc/88/97/20/1430889720.db2.gz HEBUSQAPEZZDHR-UHFFFAOYSA-N 0 0 384.436 3.195 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C ZINC000184456159 1430889866 /nfs/dbraw/zinc/88/98/66/1430889866.db2.gz CTEJVTCVDWNCRT-UHFFFAOYSA-N 0 0 394.406 3.469 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000184463217 1430890690 /nfs/dbraw/zinc/89/06/90/1430890690.db2.gz XXRVZRHLCBZAQV-UHFFFAOYSA-N 0 0 389.411 3.191 20 30 GGEDRN C=CCN(C(=O)Nc1sc(-c2ccccc2)nc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000184478560 1430892174 /nfs/dbraw/zinc/89/21/74/1430892174.db2.gz YOXZCUBJRKLUID-OAHLLOKOSA-N 0 0 391.518 3.326 20 30 GGEDRN CC(C)OC(=O)C[C@H]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000184485650 1430893180 /nfs/dbraw/zinc/89/31/80/1430893180.db2.gz HKMQQUDTONKSIT-CQSZACIVSA-N 0 0 377.872 3.204 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000184495940 1430895102 /nfs/dbraw/zinc/89/51/02/1430895102.db2.gz ABDHJVYSVDIRPI-MOPGFXCFSA-N 0 0 376.456 3.165 20 30 GGEDRN CC(C)n1nnnc1-c1ccccc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000184560567 1430905224 /nfs/dbraw/zinc/90/52/24/1430905224.db2.gz IILXSSWDRWQTEM-UHFFFAOYSA-N 0 0 376.420 3.005 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184580083 1430909048 /nfs/dbraw/zinc/90/90/48/1430909048.db2.gz HZHKQJIQBCLUHK-OAHLLOKOSA-N 0 0 389.411 3.170 20 30 GGEDRN COC(=O)[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccc(OC)c(Cl)c1 ZINC000184580510 1430909104 /nfs/dbraw/zinc/90/91/04/1430909104.db2.gz YYLPAYGANFCCSO-INIZCTEOSA-N 0 0 394.761 3.143 20 30 GGEDRN Cn1cc([C@@H](NCC(=O)Nc2cc(Cl)ccc2C#N)c2ccc(F)cc2)cn1 ZINC000184585746 1430910533 /nfs/dbraw/zinc/91/05/33/1430910533.db2.gz TWSXCINXFAEYHA-FQEVSTJZSA-N 0 0 397.841 3.402 20 30 GGEDRN COC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccco1 ZINC000184593185 1430912512 /nfs/dbraw/zinc/91/25/12/1430912512.db2.gz FOUJRGJCRWLNBH-SFHVURJKSA-N 0 0 396.447 3.127 20 30 GGEDRN COC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccco1 ZINC000184593203 1430912847 /nfs/dbraw/zinc/91/28/47/1430912847.db2.gz FOUJRGJCRWLNBH-GOSISDBHSA-N 0 0 396.447 3.127 20 30 GGEDRN Cn1cc([C@@H](NCC(=O)N(CCC#N)c2ccccc2)c2ccc(F)cc2)cn1 ZINC000184594401 1430913002 /nfs/dbraw/zinc/91/30/02/1430913002.db2.gz NZPJGDJZUASFEC-QFIPXVFZSA-N 0 0 391.450 3.185 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)N1CCN(c2ccccc2F)CC1 ZINC000184603903 1430916022 /nfs/dbraw/zinc/91/60/22/1430916022.db2.gz UJYICFCAIAAEHW-UHFFFAOYSA-N 0 0 398.438 3.077 20 30 GGEDRN Cn1cc([C@@H](NCC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccc(F)cc2)cn1 ZINC000184604054 1430916813 /nfs/dbraw/zinc/91/68/13/1430916813.db2.gz HCZYIJUGMRCLGN-FQEVSTJZSA-N 0 0 397.841 3.402 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000184605609 1430917373 /nfs/dbraw/zinc/91/73/73/1430917373.db2.gz QRAFWWDGEBTJCJ-UHFFFAOYSA-N 0 0 392.459 3.281 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](C)N(C)c1ccccc1 ZINC000184611897 1430919198 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GGEDRN Cn1cnc(-c2ccc(NC(=O)NCCSCc3ccccc3C#N)cc2)n1 ZINC000184630185 1430923931 /nfs/dbraw/zinc/92/39/31/1430923931.db2.gz LKQRVZGRRDIYEA-UHFFFAOYSA-N 0 0 392.488 3.409 20 30 GGEDRN C#CCOc1ccccc1NCC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000184635038 1430925913 /nfs/dbraw/zinc/92/59/13/1430925913.db2.gz NHTUULMOTDYOJF-HDICACEKSA-N 0 0 393.487 3.363 20 30 GGEDRN CC(C)n1nnnc1-c1ccccc1NC(=O)N(CCC#N)Cc1ccccn1 ZINC000184657266 1430932263 /nfs/dbraw/zinc/93/22/63/1430932263.db2.gz JXPYDPQVQIEKEH-UHFFFAOYSA-N 0 0 390.451 3.264 20 30 GGEDRN CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000184699330 1430945240 /nfs/dbraw/zinc/94/52/40/1430945240.db2.gz UWVXIKBNNZLWNE-JKSUJKDBSA-N 0 0 380.444 3.455 20 30 GGEDRN C[C@@H]1CCC[C@H]1CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000184702576 1430946477 /nfs/dbraw/zinc/94/64/77/1430946477.db2.gz BEIDROISHMKDDK-WKUDHBJBSA-N 0 0 377.510 3.264 20 30 GGEDRN COc1cc(F)c([C@H](C)NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1OC ZINC000184719777 1430952082 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3.163 20 30 GGEDRN CC(C)(CC#N)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000184762288 1430970025 /nfs/dbraw/zinc/97/00/25/1430970025.db2.gz MFPHOQOLLYBYTK-UHFFFAOYSA-N 0 0 382.457 3.097 20 30 GGEDRN CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000184763485 1430970168 /nfs/dbraw/zinc/97/01/68/1430970168.db2.gz BQDUGKDTIABJQD-HOTGVXAUSA-N 0 0 380.444 3.455 20 30 GGEDRN CC1([C@@H]2CCCN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)C2)OCCO1 ZINC000184780131 1430975571 /nfs/dbraw/zinc/97/55/71/1430975571.db2.gz DUGINANYHRCZKS-QGZVFWFLSA-N 0 0 396.409 3.242 20 30 GGEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1C[C@H]2CCC(=O)c3cccc1c32 ZINC000184802064 1430981937 /nfs/dbraw/zinc/98/19/37/1430981937.db2.gz HHZDBAFMDSZDFM-OAHLLOKOSA-N 0 0 397.438 3.263 20 30 GGEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000184802039 1430982232 /nfs/dbraw/zinc/98/22/32/1430982232.db2.gz HHZDBAFMDSZDFM-HNNXBMFYSA-N 0 0 397.438 3.263 20 30 GGEDRN CC(C)[C@H]1CCC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000184817250 1430988186 /nfs/dbraw/zinc/98/81/86/1430988186.db2.gz MREWKFVCBHIAOE-RBUKOAKNSA-N 0 0 376.522 3.194 20 30 GGEDRN CC(C)[C@@H]1CCC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000184817233 1430988339 /nfs/dbraw/zinc/98/83/39/1430988339.db2.gz MREWKFVCBHIAOE-RTBURBONSA-N 0 0 376.522 3.194 20 30 GGEDRN CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000184817872 1430988400 /nfs/dbraw/zinc/98/84/00/1430988400.db2.gz KOAMFJKBUIXNRH-AEFFLSMTSA-N 0 0 391.537 3.213 20 30 GGEDRN N#Cc1cn(CCCS(=O)(=O)c2ccccc2)c2ccc(Cl)cc2c1=O ZINC000184823533 1430991359 /nfs/dbraw/zinc/99/13/59/1430991359.db2.gz NJUXTJALJDAWKD-UHFFFAOYSA-N 0 0 386.860 3.391 20 30 GGEDRN CC(C)(CC#N)COC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000184824176 1430991725 /nfs/dbraw/zinc/99/17/25/1430991725.db2.gz ZRVZKIWMOLYNTH-UHFFFAOYSA-N 0 0 392.521 3.277 20 30 GGEDRN C=CCn1c(=S)n(CN2CCSC3(CCOCC3)C2)nc1-c1ccco1 ZINC000184834502 1430997509 /nfs/dbraw/zinc/99/75/09/1430997509.db2.gz BJPSZAABFNQHAT-UHFFFAOYSA-N 0 0 392.550 3.416 20 30 GGEDRN C=C(C)[C@@H](NC(=O)CNC(=O)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1 ZINC000184836628 1430998440 /nfs/dbraw/zinc/99/84/40/1430998440.db2.gz WVZXRRLRQKWNDJ-GOSISDBHSA-N 0 0 380.341 3.406 20 30 GGEDRN C=C(C)[C@@H](NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(F)c(F)c1 ZINC000184835816 1430998549 /nfs/dbraw/zinc/99/85/49/1430998549.db2.gz XEXDLYUCUFEQLE-LJQANCHMSA-N 0 0 399.397 3.064 20 30 GGEDRN C=C(C)[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1OC)c1ccc(F)c(F)c1 ZINC000184845182 1431001186 /nfs/dbraw/zinc/00/11/86/1431001186.db2.gz ANIWBZBMPYCAJS-GOSISDBHSA-N 0 0 395.427 3.424 20 30 GGEDRN C#Cc1cccc(N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000184847174 1431001717 /nfs/dbraw/zinc/00/17/17/1431001717.db2.gz LNDSYXJLRHPCSY-UHFFFAOYSA-N 0 0 381.413 3.340 20 30 GGEDRN C=C(C)[C@H](NC(=O)c1cn(CC(OCC)OCC)nn1)c1ccc(F)c(F)c1 ZINC000184851293 1431003487 /nfs/dbraw/zinc/00/34/87/1431003487.db2.gz VLKXEEVULHVZOX-SFHVURJKSA-N 0 0 394.422 3.003 20 30 GGEDRN 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O=C(CCOCC(F)(F)C(F)F)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000188800021 1431980233 /nfs/dbraw/zinc/98/02/33/1431980233.db2.gz SNTRMLRSIUUTDU-UHFFFAOYSA-N 0 0 385.279 3.480 20 30 GGEDRN CCO[C@@H]1C[C@@](CO)(NC(=O)c2ccc(COc3ccccc3C#N)o2)C1(C)C ZINC000188806105 1431982415 /nfs/dbraw/zinc/98/24/15/1431982415.db2.gz XPVYDDRTGIWPBP-KNQAVFIVSA-N 0 0 398.459 3.026 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC000188810752 1431985934 /nfs/dbraw/zinc/98/59/34/1431985934.db2.gz CCWREISELXSKCI-JOCHJYFZSA-N 0 0 379.460 3.452 20 30 GGEDRN C=CCOc1ccccc1CNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000188825364 1431991010 /nfs/dbraw/zinc/99/10/10/1431991010.db2.gz OQNIWYSMRIYVJI-HXUWFJFHSA-N 0 0 393.487 3.160 20 30 GGEDRN C=CCOc1ccccc1CNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000188825341 1431991305 /nfs/dbraw/zinc/99/13/05/1431991305.db2.gz OQNIWYSMRIYVJI-FQEVSTJZSA-N 0 0 393.487 3.160 20 30 GGEDRN N#Cc1cccc(-c2csc(NC(=O)C(=O)Nc3ccc4c(c3)CCO4)n2)c1 ZINC000188843457 1431995893 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GGEDRN C=CCNc1ncc(C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000189465802 1432122255 /nfs/dbraw/zinc/12/22/55/1432122255.db2.gz FMPKFMYKMJIUJK-UHFFFAOYSA-N 0 0 378.498 3.038 20 30 GGEDRN C=CCc1ccc(OC[C@H](O)COc2ccc(-c3ncn(C)n3)cc2)c(OC)c1 ZINC000189471014 1432124353 /nfs/dbraw/zinc/12/43/53/1432124353.db2.gz RQROAGBLLOCIJE-GOSISDBHSA-N 0 0 395.459 3.038 20 30 GGEDRN CCC(=O)N1CC[C@H](NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000189476633 1432126472 /nfs/dbraw/zinc/12/64/72/1432126472.db2.gz IBYIFOBKMPATSY-KRWDZBQOSA-N 0 0 378.432 3.483 20 30 GGEDRN CNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000189475685 1432126640 /nfs/dbraw/zinc/12/66/40/1432126640.db2.gz GJZPLDFEZYBHEF-HNNXBMFYSA-N 0 0 378.432 3.340 20 30 GGEDRN CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000189475661 1432126667 /nfs/dbraw/zinc/12/66/67/1432126667.db2.gz GJZPLDFEZYBHEF-OAHLLOKOSA-N 0 0 378.432 3.340 20 30 GGEDRN C[C@H](CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CC(C)(C)C ZINC000189480393 1432129406 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COc1cccc(C(=O)NCCNc2c(C#N)cnc3c(F)cc(F)cc32)c1 ZINC000189558142 1432159190 /nfs/dbraw/zinc/15/91/90/1432159190.db2.gz BWLIQPGOTJZTQD-UHFFFAOYSA-N 0 0 382.370 3.235 20 30 GGEDRN C=C(C)CS(=O)(=O)N[C@@H](CCCC)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000189573848 1432163462 /nfs/dbraw/zinc/16/34/62/1432163462.db2.gz GYIVWSKPXDDEHQ-IBGZPJMESA-N 0 0 393.553 3.280 20 30 GGEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC[C@@H]3CC[C@@H](O)C3)c2)c1 ZINC000189573833 1432163805 /nfs/dbraw/zinc/16/38/05/1432163805.db2.gz BLNFWSUZVAIAFE-DNVCBOLYSA-N 0 0 378.432 3.093 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N(C)[C@H](COC)Cc2ccccc2)cc1 ZINC000189575642 1432164575 /nfs/dbraw/zinc/16/45/75/1432164575.db2.gz IXZCAQVQSKAFLS-FQEVSTJZSA-N 0 0 381.476 3.324 20 30 GGEDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCSCc1ccccc1C#N ZINC000189584281 1432166737 /nfs/dbraw/zinc/16/67/37/1432166737.db2.gz AKHVCMVHWJULSW-UHFFFAOYSA-N 0 0 391.474 3.215 20 30 GGEDRN COCCc1ccccc1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000189585567 1432167937 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GGEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CC[C@@H](C)[C@H]3CO)c2)c1 ZINC000189761995 1432227572 /nfs/dbraw/zinc/22/75/72/1432227572.db2.gz JFCZVIQTEDVDHU-IIBYNOLFSA-N 0 0 392.455 3.108 20 30 GGEDRN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000189817635 1432243610 /nfs/dbraw/zinc/24/36/10/1432243610.db2.gz OTVDNOAIVFENNB-FZKQIMNGSA-N 0 0 383.835 3.139 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnn1-c1cc(C)ccn1 ZINC000189820301 1432244876 /nfs/dbraw/zinc/24/48/76/1432244876.db2.gz FYZIRELMSQHOFT-UHFFFAOYSA-N 0 0 390.447 3.128 20 30 GGEDRN C[C@H](Sc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)c1cccc(C#N)c1 ZINC000189823547 1432245055 /nfs/dbraw/zinc/24/50/55/1432245055.db2.gz JFCNPSKDCILFHA-MAUKXSAKSA-N 0 0 399.520 3.019 20 30 GGEDRN C[C@H](Sc1nnc(N2CCOCC2)n1CC(F)(F)F)c1cccc(C#N)c1 ZINC000189840969 1432250750 /nfs/dbraw/zinc/25/07/50/1432250750.db2.gz IFSSFGNWXXSWAB-LBPRGKRZSA-N 0 0 397.426 3.402 20 30 GGEDRN COc1ccc(Cn2ccc(NC(=O)N(C)Cc3cccc(C#N)c3)n2)cc1 ZINC000189855083 1432254418 /nfs/dbraw/zinc/25/44/18/1432254418.db2.gz UMFHDPHKYMPOON-UHFFFAOYSA-N 0 0 375.432 3.476 20 30 GGEDRN CC#CCNC(=O)Nc1ccccc1CN1CCc2cc(OC)c(OC)cc2C1 ZINC000189866613 1432257528 /nfs/dbraw/zinc/25/75/28/1432257528.db2.gz AOPQPHDTTJMLMU-UHFFFAOYSA-N 0 0 393.487 3.407 20 30 GGEDRN O=C(NCCNc1nccc(C(F)(F)F)n1)c1ccc(C(F)(F)F)c(F)c1 ZINC000189870908 1432258827 /nfs/dbraw/zinc/25/88/27/1432258827.db2.gz YRZHXOHPFPPUCR-UHFFFAOYSA-N 0 0 396.266 3.495 20 30 GGEDRN C=CC[C@@H](C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21)c1ccccc1 ZINC000189882589 1432262185 /nfs/dbraw/zinc/26/21/85/1432262185.db2.gz IANPRAFVLYHDDX-LJQANCHMSA-N 0 0 384.501 3.234 20 30 GGEDRN C=CCCN(OCc1ccccc1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000189897312 1432266642 /nfs/dbraw/zinc/26/66/42/1432266642.db2.gz SIPNQKUYEIQAIU-UHFFFAOYSA-N 0 0 387.443 3.476 20 30 GGEDRN C=CCCN(OCc1ccccc1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000189898746 1432266838 /nfs/dbraw/zinc/26/68/38/1432266838.db2.gz HPGQYNDLTZWSOF-UHFFFAOYSA-N 0 0 393.403 3.326 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H](c4ccccc4)[C@@H]3C)CC2)o1 ZINC000189906278 1432268817 /nfs/dbraw/zinc/26/88/17/1432268817.db2.gz PCDLXFPUZZVKFE-HNAYVOBHSA-N 0 0 378.476 3.476 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H](c4ccccc4)[C@H]3C)CC2)o1 ZINC000189906299 1432269128 /nfs/dbraw/zinc/26/91/28/1432269128.db2.gz PCDLXFPUZZVKFE-BEFAXECRSA-N 0 0 378.476 3.476 20 30 GGEDRN CCC(C)(C)N(CCC#N)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000189909778 1432270040 /nfs/dbraw/zinc/27/00/40/1432270040.db2.gz RLBWHPQGZHZXNI-UHFFFAOYSA-N 0 0 379.526 3.308 20 30 GGEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000189910188 1432270047 /nfs/dbraw/zinc/27/00/47/1432270047.db2.gz PZWKUOAKDKITNG-KRWDZBQOSA-N 0 0 386.373 3.258 20 30 GGEDRN C=CCCN(OCc1ccccc1)C(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000189911271 1432271042 /nfs/dbraw/zinc/27/10/42/1432271042.db2.gz IBSYDNPWJQKFPM-UHFFFAOYSA-N 0 0 389.455 3.447 20 30 GGEDRN CCC(C)(C)N(CCC#N)C(=O)CSc1nncn1-c1ccc(OC)cc1 ZINC000189920196 1432274320 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CC(C)C[C@H](C)N(C)C(=O)CS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000191725041 1432712862 /nfs/dbraw/zinc/71/28/62/1432712862.db2.gz QZFAUYMYTKBKNL-LBPRGKRZSA-N 0 0 390.427 3.244 20 30 GGEDRN CN(C(=O)CS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C1CCCCC1 ZINC000191725376 1432712962 /nfs/dbraw/zinc/71/29/62/1432712962.db2.gz FFGRSQFJHRJTMR-UHFFFAOYSA-N 0 0 388.411 3.142 20 30 GGEDRN C[C@H](C(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000191729216 1432713458 /nfs/dbraw/zinc/71/34/58/1432713458.db2.gz ROFDQWXZEXMZOT-GFCCVEGCSA-N 0 0 396.390 3.056 20 30 GGEDRN CCO[C@@H](C)c1noc(CS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n1 ZINC000191727526 1432713465 /nfs/dbraw/zinc/71/34/65/1432713465.db2.gz DOZYKIXGBVXRQH-VIFPVBQESA-N 0 0 389.355 3.031 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)CC(=O)Nc2cccc(F)c2)cc1C(F)(F)F ZINC000191730983 1432714005 /nfs/dbraw/zinc/71/40/05/1432714005.db2.gz JSTSKYHFLBZKMJ-UHFFFAOYSA-N 0 0 386.326 3.129 20 30 GGEDRN CC(=O)CC(C)(C)CC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC000191740774 1432715329 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CCc1c(NCC(=O)N(CCC#N)CCC#N)cnn1-c1ccccc1Cl ZINC000192738129 1432882680 /nfs/dbraw/zinc/88/26/80/1432882680.db2.gz MKZMCMSWUPIGMV-UHFFFAOYSA-N 0 0 384.871 3.156 20 30 GGEDRN CCC(=O)Nc1ccc(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1 ZINC000192743055 1432883563 /nfs/dbraw/zinc/88/35/63/1432883563.db2.gz GNYXKQACPPMOOF-UHFFFAOYSA-N 0 0 381.436 3.058 20 30 GGEDRN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000192761558 1432886078 /nfs/dbraw/zinc/88/60/78/1432886078.db2.gz CLNUREBVBVVXOW-SFHVURJKSA-N 0 0 384.779 3.087 20 30 GGEDRN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)c2ccc(C#N)cc2)C1=O ZINC000192762623 1432886444 /nfs/dbraw/zinc/88/64/44/1432886444.db2.gz PPOWKWGJQFZMFM-QHCPKHFHSA-N 0 0 383.407 3.361 20 30 GGEDRN N#Cc1ccc(OCCCOc2c(CO)cc(Br)cc2CO)cc1 ZINC000192775818 1432888783 /nfs/dbraw/zinc/88/87/83/1432888783.db2.gz SITYWDRSKFKGAB-UHFFFAOYSA-N 0 0 392.249 3.153 20 30 GGEDRN CCN(CC)c1ccc(CNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1 ZINC000192778600 1432889372 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20 30 GGEDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000192945360 1432911361 /nfs/dbraw/zinc/91/13/61/1432911361.db2.gz YVTJSDHFXLKXAJ-UHFFFAOYSA-N 0 0 378.432 3.123 20 30 GGEDRN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192952146 1432911973 /nfs/dbraw/zinc/91/19/73/1432911973.db2.gz VWPNPABMXOWHGY-MAUKXSAKSA-N 0 0 378.476 3.458 20 30 GGEDRN Cc1cccnc1[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C(C)C ZINC000192950710 1432912020 /nfs/dbraw/zinc/91/20/20/1432912020.db2.gz BJKGDEJOYCSNJZ-KRWDZBQOSA-N 0 0 381.480 3.270 20 30 GGEDRN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192952134 1432912114 /nfs/dbraw/zinc/91/21/14/1432912114.db2.gz VWPNPABMXOWHGY-CRAIPNDOSA-N 0 0 378.476 3.458 20 30 GGEDRN COc1ccc(C)cc1CCNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000192953118 1432912346 /nfs/dbraw/zinc/91/23/46/1432912346.db2.gz XPOQUXPVXBXVRP-UHFFFAOYSA-N 0 0 392.503 3.340 20 30 GGEDRN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C 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389.499 3.144 20 30 GGEDRN N#CCOc1ccccc1C(=O)NCCc1ccc(F)c(Br)c1 ZINC000194185311 1433134094 /nfs/dbraw/zinc/13/40/94/1433134094.db2.gz WBEQWIPIMPJRDV-UHFFFAOYSA-N 0 0 377.213 3.463 20 30 GGEDRN Cc1cc(C(=O)N2CCC(C)(C)S(=O)(=O)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000194184616 1433133879 /nfs/dbraw/zinc/13/38/79/1433133879.db2.gz SGXXOEANLDAAHQ-UHFFFAOYSA-N 0 0 399.516 3.005 20 30 GGEDRN CN(CC(=O)Nc1ccc(C#N)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000194190290 1433135008 /nfs/dbraw/zinc/13/50/08/1433135008.db2.gz QXOTWOAWVJFLER-HKUYNNGSSA-N 0 0 390.270 3.394 20 30 GGEDRN COC[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Cl)cc1 ZINC000194192609 1433135773 /nfs/dbraw/zinc/13/57/73/1433135773.db2.gz SMEOGSUVGPTXKK-WOJBJXKFSA-N 0 0 383.879 3.290 20 30 GGEDRN CN1CC[C@@H](NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1=O ZINC000194197594 1433137044 /nfs/dbraw/zinc/13/70/44/1433137044.db2.gz HMYPPBQQEWUTHB-CQSZACIVSA-N 0 0 383.835 3.355 20 30 GGEDRN C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccccc2OCC#N)C[C@H](C)O1 ZINC000194198963 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GGEDRN C[C@H]1CN(c2ccc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)cn2)C[C@H](C)O1 ZINC000194266036 1433152291 /nfs/dbraw/zinc/15/22/91/1433152291.db2.gz FFNBDDFDZKRILV-GJZGRUSLSA-N 0 0 381.480 3.376 20 30 GGEDRN C[C@@H]1CN(c2ccc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)cn2)C[C@@H](C)O1 ZINC000194266054 1433152461 /nfs/dbraw/zinc/15/24/61/1433152461.db2.gz FFNBDDFDZKRILV-HUUCEWRRSA-N 0 0 381.480 3.376 20 30 GGEDRN C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000194265721 1433152524 /nfs/dbraw/zinc/15/25/24/1433152524.db2.gz QYTVGYJYARERGI-KPZWWZAWSA-N 0 0 383.835 3.258 20 30 GGEDRN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000194265707 1433152546 /nfs/dbraw/zinc/15/25/46/1433152546.db2.gz QYTVGYJYARERGI-KZULUSFZSA-N 0 0 383.835 3.258 20 30 GGEDRN C[C@H]1CCNC(=O)[C@H]1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000194265742 1433152571 /nfs/dbraw/zinc/15/25/71/1433152571.db2.gz QYTVGYJYARERGI-SGTLLEGYSA-N 0 0 383.835 3.258 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)[C@@H](C(C)C)n1nnc(-c2ccccc2)n1 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375.354 3.326 20 30 GGEDRN Cc1oc(NC(=O)[C@H](C)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000194323248 1433161151 /nfs/dbraw/zinc/16/11/51/1433161151.db2.gz SHWHLHMZCLENPM-ZFWWWQNUSA-N 0 0 390.484 3.084 20 30 GGEDRN CCC(CC)c1nnc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000194327558 1433162001 /nfs/dbraw/zinc/16/20/01/1433162001.db2.gz RFFXTPQKOKKBJT-UHFFFAOYSA-N 0 0 385.497 3.062 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)nc1 ZINC000194326302 1433162007 /nfs/dbraw/zinc/16/20/07/1433162007.db2.gz LGHZMPYGLDEEMO-UHFFFAOYSA-N 0 0 390.472 3.431 20 30 GGEDRN C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000194335402 1433163160 /nfs/dbraw/zinc/16/31/60/1433163160.db2.gz KXAQHOPKTHTBPY-XIKOKIGWSA-N 0 0 383.835 3.258 20 30 GGEDRN N#CCOc1ccccc1C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 ZINC000194336624 1433163490 /nfs/dbraw/zinc/16/34/90/1433163490.db2.gz XODSGAHIKXHLCI-UHFFFAOYSA-N 0 0 386.411 3.166 20 30 GGEDRN CC(C)COc1cccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000194345837 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Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000194413621 1433174165 /nfs/dbraw/zinc/17/41/65/1433174165.db2.gz VXMHIRGHLYRUFL-UHFFFAOYSA-N 0 0 387.443 3.123 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)c1nnn(-c2ccc(OC)cc2)c1C ZINC000194443445 1433178991 /nfs/dbraw/zinc/17/89/91/1433178991.db2.gz QLWLUTUMFQQIKN-UHFFFAOYSA-N 0 0 387.443 3.284 20 30 GGEDRN C=CCOc1ccccc1C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000194456751 1433181081 /nfs/dbraw/zinc/18/10/81/1433181081.db2.gz RKOPMQJFGSDEDM-HXUWFJFHSA-N 0 0 384.451 3.194 20 30 GGEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCc2cccc(O)c2)CC1 ZINC000194473187 1433183733 /nfs/dbraw/zinc/18/37/33/1433183733.db2.gz FQWPVOLKAJQGKI-UHFFFAOYSA-N 0 0 392.415 3.045 20 30 GGEDRN CC[C@@H]1CCc2nc(NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)sc2C1 ZINC000194474078 1433184021 /nfs/dbraw/zinc/18/40/21/1433184021.db2.gz DISXSPNPPWGTRU-CQSZACIVSA-N 0 0 396.520 3.279 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC2(c3ccc(Cl)cc3)CCC2)n1 ZINC000194478550 1433184761 /nfs/dbraw/zinc/18/47/61/1433184761.db2.gz NCUMRVMVJFFQBT-UHFFFAOYSA-N 0 0 399.882 3.297 20 30 GGEDRN C=CCSCCNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000194479942 1433184772 /nfs/dbraw/zinc/18/47/72/1433184772.db2.gz NGWCKMUGCPOFJH-AWEZNQCLSA-N 0 0 386.439 3.089 20 30 GGEDRN C=CCSCCNC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC000194478692 1433184809 /nfs/dbraw/zinc/18/48/09/1433184809.db2.gz NJDDIUHWJDZRLZ-IBGZPJMESA-N 0 0 382.485 3.278 20 30 GGEDRN CC(C)(C#N)OC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000194483272 1433185483 /nfs/dbraw/zinc/18/54/83/1433185483.db2.gz MREQGSNJBNHBJM-UHFFFAOYSA-N 0 0 379.254 3.147 20 30 GGEDRN C=CCSCCNC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O ZINC000194495914 1433187446 /nfs/dbraw/zinc/18/74/46/1433187446.db2.gz NAFKDGZWBJRIAJ-UHFFFAOYSA-N 0 0 397.422 3.209 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(N2C[C@H](C)O[C@@H](C)C2)ccn1 ZINC000194498755 1433187912 /nfs/dbraw/zinc/18/79/12/1433187912.db2.gz UQWOAYZRNGLOQC-ROUUACIJSA-N 0 0 390.487 3.395 20 30 GGEDRN C=CCSCCNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000194505118 1433188891 /nfs/dbraw/zinc/18/88/91/1433188891.db2.gz QMHXYZHWCBAYAH-UHFFFAOYSA-N 0 0 390.530 3.161 20 30 GGEDRN C=CCSCCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000194509178 1433190017 /nfs/dbraw/zinc/19/00/17/1433190017.db2.gz VSTDMUFUMLHPMB-UHFFFAOYSA-N 0 0 390.958 3.066 20 30 GGEDRN COc1cc(OCC(=O)NCCc2ccc(OC(F)(F)F)cc2)ccc1C#N ZINC000194510839 1433190360 /nfs/dbraw/zinc/19/03/60/1433190360.db2.gz DXEVUDCMRITREE-UHFFFAOYSA-N 0 0 394.349 3.203 20 30 GGEDRN N#C[C@H](COC(=O)[C@H]1CCCN1C(=O)c1ccccc1)Cc1ccc(F)cc1 ZINC000194539655 1433194466 /nfs/dbraw/zinc/19/44/66/1433194466.db2.gz CFCIFIMQTLKPQH-YLJYHZDGSA-N 0 0 380.419 3.356 20 30 GGEDRN C[C@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000194557562 1433197044 /nfs/dbraw/zinc/19/70/44/1433197044.db2.gz XIMVSLSEZGVOAO-INIZCTEOSA-N 0 0 393.447 3.449 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)nc1 ZINC000194561945 1433197544 /nfs/dbraw/zinc/19/75/44/1433197544.db2.gz CQHFPCDPERHOPE-UHFFFAOYSA-N 0 0 385.471 3.276 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)c3ccc(C4SCCS4)cc3)CC2)nc1 ZINC000194562622 1433197833 /nfs/dbraw/zinc/19/78/33/1433197833.db2.gz MONHXRUZQIQBGG-UHFFFAOYSA-N 0 0 396.541 3.394 20 30 GGEDRN C#Cc1cccc(NC(=O)C(=O)NC2(c3ccc(Br)cc3)CC2)c1 ZINC000194568676 1433199050 /nfs/dbraw/zinc/19/90/50/1433199050.db2.gz GZNSWZSYLAGCRM-UHFFFAOYSA-N 0 0 383.245 3.174 20 30 GGEDRN CN(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1 ZINC000194570170 1433199237 /nfs/dbraw/zinc/19/92/37/1433199237.db2.gz YDBGLSAEDXBAOS-UHFFFAOYSA-N 0 0 398.470 3.079 20 30 GGEDRN C[C@@H](Sc1ccccc1Cl)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000194571152 1433199317 /nfs/dbraw/zinc/19/93/17/1433199317.db2.gz QOOPPVBVMGNEKM-CQSZACIVSA-N 0 0 386.908 3.436 20 30 GGEDRN COc1cccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000194572828 1433199621 /nfs/dbraw/zinc/19/96/21/1433199621.db2.gz WKATVZKRALYGJN-UHFFFAOYSA-N 0 0 378.306 3.404 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)NCc3ccc4ncccc4c3)CC2)c(F)c1 ZINC000194578896 1433200834 /nfs/dbraw/zinc/20/08/34/1433200834.db2.gz XPGCJOXKSXPATC-UHFFFAOYSA-N 0 0 389.434 3.277 20 30 GGEDRN C[C@H](CC1CCCCC1)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000194580621 1433201229 /nfs/dbraw/zinc/20/12/29/1433201229.db2.gz ODVYHKRSVKBMRH-UZLBHIALSA-N 0 0 382.508 3.317 20 30 GGEDRN COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(Br)cs1 ZINC000194589192 1433202363 /nfs/dbraw/zinc/20/23/63/1433202363.db2.gz HDFQFRGMTBPTAL-JTQLQIEISA-N 0 0 379.235 3.480 20 30 GGEDRN CC1(NC(=O)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCC1 ZINC000194590475 1433202381 /nfs/dbraw/zinc/20/23/81/1433202381.db2.gz FTCBOVXNEAQVQH-UHFFFAOYSA-N 0 0 377.444 3.329 20 30 GGEDRN COc1ccc(CCNC(=O)C(C#N)=C(O)C=C(C)c2ccc(F)cc2)cc1 ZINC000194589992 1433202417 /nfs/dbraw/zinc/20/24/17/1433202417.db2.gz MDVNJEDRMCOSDI-GUCAUAJOSA-N 0 0 380.419 3.305 20 30 GGEDRN CS(=O)(=O)Cc1cccc(C/N=C/c2cc(Br)ccc2O)c1 ZINC000194613919 1433205596 /nfs/dbraw/zinc/20/55/96/1433205596.db2.gz KYMUYDYMWRCCFV-VCHYOVAHSA-N 0 0 382.279 3.318 20 30 GGEDRN CS(=O)(=O)c1cc(C(=O)Nc2sccc2C#N)ccc1Br ZINC000194620776 1433206550 /nfs/dbraw/zinc/20/65/50/1433206550.db2.gz MEZGUMKAXBVOEH-UHFFFAOYSA-N 0 0 385.264 3.038 20 30 GGEDRN C=CCn1c(SC[C@H](O)COc2ccccc2F)nnc1-c1ccco1 ZINC000194620334 1433206586 /nfs/dbraw/zinc/20/65/86/1433206586.db2.gz AJFXMQLLLHJAJY-CYBMUJFWSA-N 0 0 375.425 3.395 20 30 GGEDRN CS(=O)(=O)c1cc(C(=O)N(CC#N)c2ccccc2)ccc1Br ZINC000194641367 1433209912 /nfs/dbraw/zinc/20/99/12/1433209912.db2.gz ADVWIOGJRPUBCW-UHFFFAOYSA-N 0 0 393.262 3.023 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000194641626 1433209976 /nfs/dbraw/zinc/20/99/76/1433209976.db2.gz ONVQDLHGVCLNTI-UHFFFAOYSA-N 0 0 393.262 3.285 20 30 GGEDRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H](C)CC#N)cc2)c1C(F)(F)F ZINC000194643535 1433210245 /nfs/dbraw/zinc/21/02/45/1433210245.db2.gz DVKZWIVVGATPKT-LLVKDONJSA-N 0 0 394.353 3.100 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc2ncccc2c1 ZINC000194646295 1433210516 /nfs/dbraw/zinc/21/05/16/1433210516.db2.gz YXJLIUFYUPTZAK-UHFFFAOYSA-N 0 0 388.427 3.149 20 30 GGEDRN Cc1cccc(-n2c(=O)c3ccc(C(=O)N[C@H](C)CC#N)cc3[nH]c2=S)c1C ZINC000194649236 1433210992 /nfs/dbraw/zinc/21/09/92/1433210992.db2.gz FLUAAFXLDVGTSW-CYBMUJFWSA-N 0 0 392.484 3.323 20 30 GGEDRN C=CCOc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000194655454 1433211853 /nfs/dbraw/zinc/21/18/53/1433211853.db2.gz ZIJHKQJOGSAFPN-FQEVSTJZSA-N 0 0 378.472 3.215 20 30 GGEDRN Cn1cnnc1Sc1ccc(C(=O)N(CC#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000194665892 1433212708 /nfs/dbraw/zinc/21/27/08/1433212708.db2.gz UFYTVIDWULUSOB-UHFFFAOYSA-N 0 0 394.416 3.045 20 30 GGEDRN CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000194673467 1433213919 /nfs/dbraw/zinc/21/39/19/1433213919.db2.gz SFZGBGGLPNATMO-UHFFFAOYSA-N 0 0 381.360 3.350 20 30 GGEDRN Cc1ccc(Br)cc1NC(=O)CNC(=O)/C=C/c1ccccc1C#N ZINC000194700723 1433217196 /nfs/dbraw/zinc/21/71/96/1433217196.db2.gz GQFJMHHXOOWYII-VQHVLOKHSA-N 0 0 398.260 3.397 20 30 GGEDRN COc1ccc(OC)c(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000194711407 1433218567 /nfs/dbraw/zinc/21/85/67/1433218567.db2.gz REVIHCRWGVUHAZ-UHFFFAOYSA-N 0 0 384.411 3.069 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)Nc3nc4c(s3)CCCC4)CC2)c(F)c1 ZINC000194713639 1433218851 /nfs/dbraw/zinc/21/88/51/1433218851.db2.gz OXGODBRBCYDTRC-UHFFFAOYSA-N 0 0 385.468 3.387 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)Nc2cc3c(cc2Cl)OCO3)CC1 ZINC000194722193 1433219887 /nfs/dbraw/zinc/21/98/87/1433219887.db2.gz NPVBTHUNWHNHEU-UHFFFAOYSA-N 0 0 384.823 3.294 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC000194723550 1433220267 /nfs/dbraw/zinc/22/02/67/1433220267.db2.gz BONCTRRXXKPTBH-UHFFFAOYSA-N 0 0 399.397 3.369 20 30 GGEDRN N#CCOc1ccccc1C(=O)NCCOc1ccc(Br)cc1 ZINC000194730259 1433221082 /nfs/dbraw/zinc/22/10/82/1433221082.db2.gz XUFWAJXZCJHDHF-UHFFFAOYSA-N 0 0 375.222 3.160 20 30 GGEDRN CCOC(=O)c1cccc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000194730519 1433221164 /nfs/dbraw/zinc/22/11/64/1433221164.db2.gz NTLJYGFLDMIPIL-UHFFFAOYSA-N 0 0 396.422 3.228 20 30 GGEDRN C[C@H](CC#N)NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000194744958 1433223400 /nfs/dbraw/zinc/22/34/00/1433223400.db2.gz XXSYMFCMKZKDMS-LLVKDONJSA-N 0 0 395.843 3.312 20 30 GGEDRN C[C@@H](CC#N)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000194746548 1433223657 /nfs/dbraw/zinc/22/36/57/1433223657.db2.gz KTWYLNUBDOKGEF-HNNXBMFYSA-N 0 0 389.415 3.408 20 30 GGEDRN N#CCOc1ccccc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000194748347 1433223919 /nfs/dbraw/zinc/22/39/19/1433223919.db2.gz YXAGWBRTRGJRKY-LJQANCHMSA-N 0 0 399.878 3.046 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)NC1(Cc2cccc(F)c2)CCC1 ZINC000194752404 1433224910 /nfs/dbraw/zinc/22/49/10/1433224910.db2.gz ODERFEOJARTXBM-UHFFFAOYSA-N 0 0 380.419 3.058 20 30 GGEDRN Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)Cc1ccc(C#N)cc1 ZINC000194765623 1433226924 /nfs/dbraw/zinc/22/69/24/1433226924.db2.gz DAICCYKYXAYTPH-UHFFFAOYSA-N 0 0 380.469 3.204 20 30 GGEDRN N#CCOc1ccccc1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000194765609 1433227041 /nfs/dbraw/zinc/22/70/41/1433227041.db2.gz XBMPGXGGJCLBIO-UHFFFAOYSA-N 0 0 386.411 3.166 20 30 GGEDRN N#Cc1nc(N)n(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c1C#N ZINC000194770699 1433228413 /nfs/dbraw/zinc/22/84/13/1433228413.db2.gz KOZNNBXBAIURPI-UHFFFAOYSA-N 0 0 392.806 3.293 20 30 GGEDRN Cc1cc(NC(=O)C(=O)NCc2cccc(C#N)c2)ccc1Oc1ccncc1 ZINC000194775291 1433228996 /nfs/dbraw/zinc/22/89/96/1433228996.db2.gz NTNWYICJEOWUAL-UHFFFAOYSA-N 0 0 386.411 3.309 20 30 GGEDRN COc1ccc2c(c1)[nH]nc2NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000194785748 1433232019 /nfs/dbraw/zinc/23/20/19/1433232019.db2.gz VBDAJGDRXYRSQX-UHFFFAOYSA-N 0 0 377.404 3.191 20 30 GGEDRN CN(C)C(=O)c1ccc(S(=O)(=O)NC2(C#N)CCC(C(C)(C)C)CC2)cc1 ZINC000194809321 1433237588 /nfs/dbraw/zinc/23/75/88/1433237588.db2.gz GCKWQHDCFUOILB-UHFFFAOYSA-N 0 0 391.537 3.165 20 30 GGEDRN COc1ccccc1-n1ncc(C(=O)Nc2ccc(F)cc2OCC#N)c1C ZINC000194823240 1433240690 /nfs/dbraw/zinc/24/06/90/1433240690.db2.gz YEWWAVPTACQQGM-UHFFFAOYSA-N 0 0 380.379 3.483 20 30 GGEDRN CCN(c1ccc(C#N)c(Cl)c1)S(=O)(=O)c1ccc(OCCOC)cc1 ZINC000194825141 1433241822 /nfs/dbraw/zinc/24/18/22/1433241822.db2.gz XRGATMGFHBEUID-UHFFFAOYSA-N 0 0 394.880 3.452 20 30 GGEDRN COc1ccc(-n2cnnc2SCC(=O)[C@H](C#N)c2nc(C)cs2)cc1 ZINC000194844321 1433246525 /nfs/dbraw/zinc/24/65/25/1433246525.db2.gz BQMXHWICRSQDQU-AWEZNQCLSA-N 0 0 385.474 3.009 20 30 GGEDRN N#Cc1ccc(CC(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000194845803 1433247400 /nfs/dbraw/zinc/24/74/00/1433247400.db2.gz XGPQDUHGKZBJRJ-IBGZPJMESA-N 0 0 378.432 3.040 20 30 GGEDRN CC(C)(C)c1nc(CN2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cs1 ZINC000194862417 1433251283 /nfs/dbraw/zinc/25/12/83/1433251283.db2.gz OQGNQBJVSSQXCU-UHFFFAOYSA-N 0 0 382.533 3.199 20 30 GGEDRN Cc1ccc(NC(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000194864297 1433251731 /nfs/dbraw/zinc/25/17/31/1433251731.db2.gz RMZPRLXAQFQDTC-UHFFFAOYSA-N 0 0 396.878 3.439 20 30 GGEDRN N#Cc1ccc(CC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000194865426 1433251790 /nfs/dbraw/zinc/25/17/90/1433251790.db2.gz UIAUXJHTAGLIKI-UHFFFAOYSA-N 0 0 382.851 3.026 20 30 GGEDRN N#Cc1ccc(CC(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000194865396 1433251854 /nfs/dbraw/zinc/25/18/54/1433251854.db2.gz YEGBETUVVDJELW-INIZCTEOSA-N 0 0 382.851 3.026 20 30 GGEDRN N#Cc1ccc(CC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000194865404 1433251860 /nfs/dbraw/zinc/25/18/60/1433251860.db2.gz YEGBETUVVDJELW-MRXNPFEDSA-N 0 0 382.851 3.026 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC000194870976 1433253235 /nfs/dbraw/zinc/25/32/35/1433253235.db2.gz SEDBJFKQGCMSGQ-UHFFFAOYSA-N 0 0 397.500 3.001 20 30 GGEDRN CC[C@H](C(=O)N1CCC(NC(=O)Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000194885622 1433257014 /nfs/dbraw/zinc/25/70/14/1433257014.db2.gz MDOYIWQOEORSFH-QFIPXVFZSA-N 0 0 389.499 3.402 20 30 GGEDRN C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc21)N(C)CC(F)(F)F ZINC000194886659 1433257622 /nfs/dbraw/zinc/25/76/22/1433257622.db2.gz BFMLXNUILAJBCH-SWLSCSKDSA-N 0 0 377.366 3.370 20 30 GGEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000194913785 1433263559 /nfs/dbraw/zinc/26/35/59/1433263559.db2.gz BVVFONZETVKEFA-HXUWFJFHSA-N 0 0 375.432 3.240 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000194917696 1433264165 /nfs/dbraw/zinc/26/41/65/1433264165.db2.gz VYZVPBVOHPTJNN-UHFFFAOYSA-N 0 0 391.431 3.004 20 30 GGEDRN C=CCc1cc(C(=O)Nc2cnn(Cc3ccccn3)c2)cc(OC)c1OC ZINC000194928171 1433266498 /nfs/dbraw/zinc/26/64/98/1433266498.db2.gz UZBWDHBNQNGFCS-UHFFFAOYSA-N 0 0 378.432 3.324 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)N[C@H](COC)c2ccc(Cl)cc2)c1 ZINC000194942850 1433269451 /nfs/dbraw/zinc/26/94/51/1433269451.db2.gz DXNBDZCOYNZTLL-GOSISDBHSA-N 0 0 388.851 3.347 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N1CCC(OCCc2ccccc2)CC1 ZINC000194944035 1433269744 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20 30 GGEDRN COc1ccc(OC)c([C@@H](C)NC(=O)CN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194963857 1433273339 /nfs/dbraw/zinc/27/33/39/1433273339.db2.gz HEHCACMSTYWCIW-MRXNPFEDSA-N 0 0 393.487 3.417 20 30 GGEDRN Cc1ccc(NC(=O)NC(=O)CN(Cc2ccc(C#N)cc2)C2CC2)c(C)c1 ZINC000194966763 1433274006 /nfs/dbraw/zinc/27/40/06/1433274006.db2.gz KXJDXPKQQCKYRQ-UHFFFAOYSA-N 0 0 376.460 3.488 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)o1 ZINC000194986692 1433276977 /nfs/dbraw/zinc/27/69/77/1433276977.db2.gz RJDVOHSLSGIQFT-UHFFFAOYSA-N 0 0 383.408 3.235 20 30 GGEDRN COc1ccc2c(c1)OC[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)C2 ZINC000194988952 1433277707 /nfs/dbraw/zinc/27/77/07/1433277707.db2.gz GNKDSQJSDPLGMN-DYVFJYSZSA-N 0 0 384.819 3.247 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H](OCC)c2ccccc2)c1 ZINC000195006548 1433279837 /nfs/dbraw/zinc/27/98/37/1433279837.db2.gz IJBCGBWOMXXEFS-HXUWFJFHSA-N 0 0 382.460 3.474 20 30 GGEDRN COc1cc(OCC(=O)N(Cc2ccc(C#N)cc2)C2CC2)ccc1[N+](=O)[O-] 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O=C(/C=C/c1cc(Cl)cs1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000195338541 1433320531 /nfs/dbraw/zinc/32/05/31/1433320531.db2.gz QZJPAPDFHIQUQQ-SNAWJCMRSA-N 0 0 397.905 3.319 20 30 GGEDRN Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C)cc1C(=O)N(C)C(C)C ZINC000195343659 1433321049 /nfs/dbraw/zinc/32/10/49/1433321049.db2.gz LCYHMUFYQKMJAZ-UHFFFAOYSA-N 0 0 385.489 3.456 20 30 GGEDRN Cc1c(C(=O)N2CCN(c3ccccc3C#N)CC2)cnn1Cc1ccccc1 ZINC000195350153 1433321733 /nfs/dbraw/zinc/32/17/33/1433321733.db2.gz ZDGSQCFKMQJAGQ-UHFFFAOYSA-N 0 0 385.471 3.074 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)c1cnc(-c2ncccn2)s1 ZINC000195353247 1433321886 /nfs/dbraw/zinc/32/18/86/1433321886.db2.gz LTMAXZYRPBJURD-UHFFFAOYSA-N 0 0 381.486 3.135 20 30 GGEDRN COCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000195363930 1433322960 /nfs/dbraw/zinc/32/29/60/1433322960.db2.gz KUTNWYDJFBSUMX-UHFFFAOYSA-N 0 0 386.473 3.160 20 30 GGEDRN C#C[C@@H](C)N1C(=O)[C@H](CC(=O)NCC(F)(F)F)S/C1=N\c1cccc(C)c1 ZINC000195380770 1433324058 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GGEDRN O=C(C=NOCC(=O)Nc1ccccc1)Nc1ccccc1Br ZINC000255270024 1433879012 /nfs/dbraw/zinc/87/90/12/1433879012.db2.gz MKQKQXZRIDDTRB-UHFFFAOYSA-N 0 0 376.210 3.029 20 30 GGEDRN COc1ccc(CNC(=O)C(C#N)=C(O)C=Cc2cnc(C(C)(C)C)s2)cc1 ZINC000255266876 1433879014 /nfs/dbraw/zinc/87/90/14/1433879014.db2.gz ANXIYVZGGSRWKM-DOOKAGJSSA-N 0 0 397.500 3.488 20 30 GGEDRN N#Cc1ccccc1/C=C\C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000255290957 1433879246 /nfs/dbraw/zinc/87/92/46/1433879246.db2.gz KNEZSSGAMCOWLC-YHYXMXQVSA-N 0 0 384.233 3.089 20 30 GGEDRN Cc1ccc(/C=C\C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)c1 ZINC000255295502 1433879436 /nfs/dbraw/zinc/87/94/36/1433879436.db2.gz BXKBSLNMGRHVAC-HJWRWDBZSA-N 0 0 385.485 3.220 20 30 GGEDRN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C\c1ccccc1C#N ZINC000255295786 1433879441 /nfs/dbraw/zinc/87/94/41/1433879441.db2.gz RRYAQOQCXYMPLU-JYRVWZFOSA-N 0 0 390.443 3.017 20 30 GGEDRN CON=Cc1ccc(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1 ZINC000255296431 1433879582 /nfs/dbraw/zinc/87/95/82/1433879582.db2.gz VISLNIBXMUPGFM-UHFFFAOYSA-N 0 0 388.427 3.244 20 30 GGEDRN CCC[C@H](CC)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000255305736 1433879791 /nfs/dbraw/zinc/87/97/91/1433879791.db2.gz CFFFJSVHVJXCHT-HGNXGAGXSA-N 0 0 380.514 3.200 20 30 GGEDRN CC#CCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1 ZINC000255309562 1433879861 /nfs/dbraw/zinc/87/98/61/1433879861.db2.gz VDVBNSHYJDJDJW-IBGZPJMESA-N 0 0 391.496 3.348 20 30 GGEDRN C#CCCCCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC000255308011 1433879873 /nfs/dbraw/zinc/87/98/73/1433879873.db2.gz FRVIJYFFVYCMIC-QOCHGBHMSA-N 0 0 389.521 3.412 20 30 GGEDRN O=C(C=NOCC(=O)Nc1cccc(F)c1)Nc1ccccc1Br ZINC000255308143 1433879910 /nfs/dbraw/zinc/87/99/10/1433879910.db2.gz LSDWOBBWJWFBRT-UHFFFAOYSA-N 0 0 394.200 3.168 20 30 GGEDRN C[C@@H](OC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C(C)(C)C#N ZINC000255315891 1433879996 /nfs/dbraw/zinc/87/99/96/1433879996.db2.gz XTZALEANBRCUMO-SYCZXOQXSA-N 0 0 390.505 3.181 20 30 GGEDRN Cc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(Cl)cc3)c2=O)c(C)c1 ZINC000255319614 1433880145 /nfs/dbraw/zinc/88/01/45/1433880145.db2.gz ZGBJZECGCRCPCC-UHFFFAOYSA-N 0 0 391.883 3.196 20 30 GGEDRN CC(=NOCC(=O)NCc1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000255320206 1433880163 /nfs/dbraw/zinc/88/01/63/1433880163.db2.gz WEMLGXGAGMBBKC-UHFFFAOYSA-N 0 0 383.423 3.231 20 30 GGEDRN C=C(C)CN(CC)C(=O)[C@@H](C)ON=CC(=O)Nc1ccccc1Br ZINC000255329233 1433880441 /nfs/dbraw/zinc/88/04/41/1433880441.db2.gz YMGGAPHJRRFSMS-CYBMUJFWSA-N 0 0 396.285 3.203 20 30 GGEDRN O=C(/C=C\c1cc2ccccc2o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000255324821 1433880459 /nfs/dbraw/zinc/88/04/59/1433880459.db2.gz GFGSFLXPSAWCSY-YFHOEESVSA-N 0 0 397.452 3.350 20 30 GGEDRN N#C[C@@H]1COCCN1C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000255327727 1433880466 /nfs/dbraw/zinc/88/04/66/1433880466.db2.gz LFESYSVDVVKYCE-UIIMQBOASA-N 0 0 378.272 3.488 20 30 GGEDRN C[C@@H](c1ccccc1)n1c(=O)c(=Cc2ccc(Cl)cc2)sc1=C(C#N)C#N ZINC000255338075 1433880793 /nfs/dbraw/zinc/88/07/93/1433880793.db2.gz PYNGLWKHEKMNCR-AWEZNQCLSA-N 0 0 391.883 3.199 20 30 GGEDRN CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CC(C)C ZINC000255343920 1433880946 /nfs/dbraw/zinc/88/09/46/1433880946.db2.gz MBSKGFZIFMNEEV-UHFFFAOYSA-N 0 0 388.558 3.136 20 30 GGEDRN CN=c1scc(-c2cc(C)ccc2OC)n1N=Cc1ccc(O)c(O)c1O ZINC000255362247 1433881356 /nfs/dbraw/zinc/88/13/56/1433881356.db2.gz QENMOQZCXBXONH-UHFFFAOYSA-N 0 0 385.445 3.063 20 30 GGEDRN C#CCCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1c(C)cc(C)cc1Cl ZINC000255368875 1433881483 /nfs/dbraw/zinc/88/14/83/1433881483.db2.gz MNZLJEUOCQETAJ-OAHLLOKOSA-N 0 0 391.924 3.438 20 30 GGEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1 ZINC000255368526 1433881537 /nfs/dbraw/zinc/88/15/37/1433881537.db2.gz FJSCYNBYPZOJAZ-UHFFFAOYSA-N 0 0 394.521 3.079 20 30 GGEDRN Cc1nn(Cc2ccccc2)c(C)c1C=NOCC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000255374963 1433881616 /nfs/dbraw/zinc/88/16/16/1433881616.db2.gz MJPNZKVCIDOMGL-CALCHBBNSA-N 0 0 382.508 3.403 20 30 GGEDRN N#Cc1ccccc1/C=C\C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000255382681 1433881892 /nfs/dbraw/zinc/88/18/92/1433881892.db2.gz YLORRYRMBCPVTH-KHPPLWFESA-N 0 0 387.483 3.169 20 30 GGEDRN COc1ccccc1CCNC(=O)CON=Cc1ccccc1Br ZINC000255383144 1433881942 /nfs/dbraw/zinc/88/19/42/1433881942.db2.gz JBMHNZOYQQGHNU-UHFFFAOYSA-N 0 0 391.265 3.167 20 30 GGEDRN Cn1c(=O)[nH]cc(C(=O)C=Cc2cccc(OCc3ccc(F)cc3)c2)c1=O ZINC000255389836 1433882131 /nfs/dbraw/zinc/88/21/31/1433882131.db2.gz PKNCSDIZXNCHIF-YFHOEESVSA-N 0 0 380.375 3.100 20 30 GGEDRN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)/C=C\c1ccccc1C#N ZINC000255395005 1433882212 /nfs/dbraw/zinc/88/22/12/1433882212.db2.gz SQUSNKTVQDZRCE-DUQGCJEPSA-N 0 0 389.499 3.321 20 30 GGEDRN CC(=NOCCCN1C(=O)CNC1=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000255414179 1433882381 /nfs/dbraw/zinc/88/23/81/1433882381.db2.gz KHXWLJQCNSDQGC-UHFFFAOYSA-N 0 0 375.425 3.237 20 30 GGEDRN CON=Cc1ccc(C(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)cc1 ZINC000255422773 1433882608 /nfs/dbraw/zinc/88/26/08/1433882608.db2.gz YFFWMNXXNULRQE-UHFFFAOYSA-N 0 0 375.428 3.438 20 30 GGEDRN CN(C(=O)CON=CC(=O)Nc1ccccc1Br)c1ccccc1 ZINC000255428437 1433882763 /nfs/dbraw/zinc/88/27/63/1433882763.db2.gz RLEOGZZIZLJYDJ-UHFFFAOYSA-N 0 0 390.237 3.053 20 30 GGEDRN CNC(=O)CC1SC(=Nc2ccccc2)N(CCCc2ccccc2)C1=O ZINC000255430345 1433882781 /nfs/dbraw/zinc/88/27/81/1433882781.db2.gz IHXHIALEZOMOQG-GOSISDBHSA-N 0 0 381.501 3.387 20 30 GGEDRN COc1cc2c(c(/C=C\C(=O)c3ccc(S(C)(=O)=O)c(F)c3)c1)O[C@H](C)C2 ZINC000255434958 1433882904 /nfs/dbraw/zinc/88/29/04/1433882904.db2.gz BXFYWNBCHWLJCL-TXNVCOODSA-N 0 0 390.432 3.457 20 30 GGEDRN Cc1cc(C(=O)NC2CCN(C(=O)/C=C\c3ccccc3C#N)CC2)c(C)o1 ZINC000255439719 1433882911 /nfs/dbraw/zinc/88/29/11/1433882911.db2.gz HWIIVAJZPGHKPD-FPLPWBNLSA-N 0 0 377.444 3.202 20 30 GGEDRN C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000255438158 1433882939 /nfs/dbraw/zinc/88/29/39/1433882939.db2.gz DSSVEHZWAJAKAE-HMVFGEFZSA-N 0 0 384.457 3.124 20 30 GGEDRN COCCCN=c1scc(-c2ccccc2OC)n1N=Cc1cccnc1 ZINC000255473853 1433883407 /nfs/dbraw/zinc/88/34/07/1433883407.db2.gz APUUVJRIGKSOJQ-UHFFFAOYSA-N 0 0 382.489 3.440 20 30 GGEDRN C=CCc1ccccc1OC[C@@H](O)CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000255501125 1433883612 /nfs/dbraw/zinc/88/36/12/1433883612.db2.gz AODXPTCHBOTTBB-IPTXASRGSA-N 0 0 392.543 3.486 20 30 GGEDRN C=CCc1ccccc1OC[C@H](O)CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000255501124 1433883643 /nfs/dbraw/zinc/88/36/43/1433883643.db2.gz AODXPTCHBOTTBB-AFBAXIAKSA-N 0 0 392.543 3.486 20 30 GGEDRN O=C(CON=Cc1ccccc1Br)N[C@@H]1CCOc2ccccc21 ZINC000255496652 1433883676 /nfs/dbraw/zinc/88/36/76/1433883676.db2.gz SKUGOWCDTVRXEK-MRXNPFEDSA-N 0 0 389.249 3.440 20 30 GGEDRN COc1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)ccc1S(=O)(=O)C(F)F ZINC000255498771 1433883684 /nfs/dbraw/zinc/88/36/84/1433883684.db2.gz HSGISSPQMHDDTO-YWEYNIOJSA-N 0 0 397.355 3.496 20 30 GGEDRN C#CCOc1ccc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)cc1OCC ZINC000255501112 1433883711 /nfs/dbraw/zinc/88/37/11/1433883711.db2.gz ZHSMIDFDGJZWPR-FOWTUZBSSA-N 0 0 382.437 3.151 20 30 GGEDRN C=CCn1c(=O)c(=Cc2cccc(-c3ccc(C)cc3)c2)sc1=C(C#N)C#N ZINC000255506038 1433883765 /nfs/dbraw/zinc/88/37/65/1433883765.db2.gz KGNRKYNXFBGCNS-UHFFFAOYSA-N 0 0 383.476 3.098 20 30 GGEDRN CCc1ccccc1NC(=O)[C@@H](C)ON=CC(=O)Nc1ccc(F)cc1F ZINC000255510129 1433883923 /nfs/dbraw/zinc/88/39/23/1433883923.db2.gz OAJGLTLUGKJHLM-GFCCVEGCSA-N 0 0 375.375 3.495 20 30 GGEDRN N#Cc1ccccc1/C=C\C(=O)Nc1ccc(I)cn1 ZINC000255507325 1433883970 /nfs/dbraw/zinc/88/39/70/1433883970.db2.gz SZGJLIRMJUQREI-YVMONPNESA-N 0 0 375.169 3.210 20 30 GGEDRN O=C(CON=Cc1ccc(F)cc1)Nc1cccc(I)c1 ZINC000255514228 1433884090 /nfs/dbraw/zinc/88/40/90/1433884090.db2.gz NMKILERDMMFMMN-UHFFFAOYSA-N 0 0 398.175 3.420 20 30 GGEDRN CCCCOc1ccc(C=NOCc2nnnn2-c2ccccc2)cc1OC ZINC000255537793 1433884393 /nfs/dbraw/zinc/88/43/93/1433884393.db2.gz USPURBGZWWOHED-UHFFFAOYSA-N 0 0 381.436 3.401 20 30 GGEDRN C[C@@H](ON=CC(=O)Nc1ccc(F)cc1F)C(=O)NC[C@@H](C)c1ccccc1 ZINC000255525161 1433884403 /nfs/dbraw/zinc/88/44/03/1433884403.db2.gz NCAIXMGJSWJOHX-ZIAGYGMSSA-N 0 0 389.402 3.214 20 30 GGEDRN O=C(CON=Cc1ccccc1Br)N1CCc2sccc2C1 ZINC000255529378 1433884473 /nfs/dbraw/zinc/88/44/73/1433884473.db2.gz IAOJCWWKZXRIKL-UHFFFAOYSA-N 0 0 379.279 3.446 20 30 GGEDRN CC(C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)=C1CCCC1 ZINC000255548920 1433884926 /nfs/dbraw/zinc/88/49/26/1433884926.db2.gz WRRMGMKVWMFDRL-DYTRJAOYSA-N 0 0 375.494 3.328 20 30 GGEDRN COCCCN=c1scc(-c2ccccc2OC)n1N=Cc1ccccn1 ZINC000255550941 1433884929 /nfs/dbraw/zinc/88/49/29/1433884929.db2.gz VCDSFLHYJSWQOU-UHFFFAOYSA-N 0 0 382.489 3.440 20 30 GGEDRN C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000255554733 1433885024 /nfs/dbraw/zinc/88/50/24/1433885024.db2.gz MSBPXCWRGGQVBL-AEKNLGIRSA-N 0 0 399.516 3.317 20 30 GGEDRN CON=Cc1ccc(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)cc1 ZINC000255554016 1433885110 /nfs/dbraw/zinc/88/51/10/1433885110.db2.gz CZNPIHOYRBSQIV-UHFFFAOYSA-N 0 0 379.338 3.211 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1 ZINC000255559764 1433885258 /nfs/dbraw/zinc/88/52/58/1433885258.db2.gz ZXONZYVXSSUWEU-JYRVWZFOSA-N 0 0 381.457 3.017 20 30 GGEDRN CC[C@H](CNC(=O)/C=C/c1ccccc1C#N)NC(=O)/C=C\c1ccccc1C#N ZINC000255571413 1433885488 /nfs/dbraw/zinc/88/54/88/1433885488.db2.gz QYSUZFFFWBOPKN-IRVUWQRUSA-N 0 0 398.466 3.168 20 30 GGEDRN CC[C@H](CNC(=O)/C=C\c1ccccc1C#N)NC(=O)/C=C/c1ccccc1C#N ZINC000255571415 1433885553 /nfs/dbraw/zinc/88/55/53/1433885553.db2.gz QYSUZFFFWBOPKN-ZNYMVBTMSA-N 0 0 398.466 3.168 20 30 GGEDRN CNC(=O)c1ccc(/C=C\C(=O)c2nnn(-c3cccc(Cl)c3)c2C)cc1 ZINC000255566973 1433885572 /nfs/dbraw/zinc/88/55/72/1433885572.db2.gz GVUMUBVJHKWRLX-FLIBITNWSA-N 0 0 380.835 3.485 20 30 GGEDRN Cc1cc(S(N)(=O)=O)cc(N=Cc2cc(Br)ccc2O)c1C ZINC000255575673 1433885660 /nfs/dbraw/zinc/88/56/60/1433885660.db2.gz VGQXKVPSYFDOBQ-UHFFFAOYSA-N 0 0 383.267 3.170 20 30 GGEDRN CN(C)S(=O)(=O)c1ccc(CON=Cc2ccccc2OC(F)F)cc1 ZINC000255576883 1433885820 /nfs/dbraw/zinc/88/58/20/1433885820.db2.gz FIQISYCZFVKAPP-UHFFFAOYSA-N 0 0 384.404 3.089 20 30 GGEDRN CS(=O)(=O)Nc1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1Cl ZINC000255577922 1433885841 /nfs/dbraw/zinc/88/58/41/1433885841.db2.gz VBOILJJWFWFYKU-TWGQIWQCSA-N 0 0 375.837 3.235 20 30 GGEDRN Cc1cccc(-n2c(=O)c(=Cc3cccc4ccccc34)sc2=C(C#N)C#N)c1 ZINC000255586567 1433885982 /nfs/dbraw/zinc/88/59/82/1433885982.db2.gz WILIHPRNUCGTTR-UHFFFAOYSA-N 0 0 393.471 3.387 20 30 GGEDRN CCn1nccc1/C=C\C(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000255590287 1433886237 /nfs/dbraw/zinc/88/62/37/1433886237.db2.gz UMMBVMJWJGLRFF-RAXLEYEMSA-N 0 0 395.484 3.278 20 30 GGEDRN C=CCOc1ccc(/C=C\C(=O)NCCNC(=O)c2ccc(C)cc2)cc1OC ZINC000255606333 1433886309 /nfs/dbraw/zinc/88/63/09/1433886309.db2.gz MKBNGVQRRLIWFH-WQLSENKSSA-N 0 0 394.471 3.128 20 30 GGEDRN CON=Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1 ZINC000255599535 1433886317 /nfs/dbraw/zinc/88/63/17/1433886317.db2.gz RNANCCHYOLSRHD-IBGZPJMESA-N 0 0 382.460 3.350 20 30 GGEDRN 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ZINC000269356997 1434630404 /nfs/dbraw/zinc/63/04/04/1434630404.db2.gz LQHFDFFZGQAMLE-UHFFFAOYSA-N 0 0 378.461 3.313 20 30 GGEDRN COC(=O)N1CC(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000269356482 1434630413 /nfs/dbraw/zinc/63/04/13/1434630413.db2.gz OKGGRQDWIMORMF-UHFFFAOYSA-N 0 0 381.457 3.031 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)C(=O)NCCCOC2CCCCC2)cc1C#N ZINC000269360960 1434630718 /nfs/dbraw/zinc/63/07/18/1434630718.db2.gz CERJJJBKOHERDF-UHFFFAOYSA-N 0 0 387.480 3.140 20 30 GGEDRN CCOc1cc(C#N)cc(Cl)c1OC(=O)CCCNC(=O)c1cccnc1 ZINC000269360161 1434630748 /nfs/dbraw/zinc/63/07/48/1434630748.db2.gz SBLZXORYHBHMJF-UHFFFAOYSA-N 0 0 387.823 3.121 20 30 GGEDRN CCOc1cccc(CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)c1 ZINC000269368235 1434632309 /nfs/dbraw/zinc/63/23/09/1434632309.db2.gz LIBWTVRMIQAURU-UHFFFAOYSA-N 0 0 395.459 3.065 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)CCc2ccc(O)cc2)cc1C#N ZINC000269380274 1434634674 /nfs/dbraw/zinc/63/46/74/1434634674.db2.gz MWJSZVLBBVEQFG-OAHLLOKOSA-N 0 0 395.459 3.127 20 30 GGEDRN N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H](OCCO)C3)c2)cc1 ZINC000269381559 1434634983 /nfs/dbraw/zinc/63/49/83/1434634983.db2.gz JKNRCLUEXGDCJF-HXUWFJFHSA-N 0 0 381.432 3.356 20 30 GGEDRN COc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1 ZINC000269384607 1434635611 /nfs/dbraw/zinc/63/56/11/1434635611.db2.gz OSNAKVUAGLHHEW-CQSZACIVSA-N 0 0 381.432 3.170 20 30 GGEDRN COc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1 ZINC000269384606 1434635854 /nfs/dbraw/zinc/63/58/54/1434635854.db2.gz OSNAKVUAGLHHEW-AWEZNQCLSA-N 0 0 381.432 3.170 20 30 GGEDRN Cc1cc(C)c2ncc(C#N)c(N3CCC([C@@H](O)c4nccn4C)CC3)c2c1 ZINC000269387108 1434635977 /nfs/dbraw/zinc/63/59/77/1434635977.db2.gz ZUMOCXQWTHSSMY-OAQYLSRUSA-N 0 0 375.476 3.407 20 30 GGEDRN Cn1ccnc1[C@H](O)[C@H]1CCCN(c2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000269391400 1434636474 /nfs/dbraw/zinc/63/64/74/1434636474.db2.gz VGWJEBBATUQSQK-ORAYPTAESA-N 0 0 381.867 3.443 20 30 GGEDRN CCCCNC(=S)C(C(=O)c1ccc2c(c1)COC2)[n+]1cc([O-])ccc1F ZINC000269391860 1434636849 /nfs/dbraw/zinc/63/68/49/1434636849.db2.gz CWXBWIDGEFQIQI-UHFFFAOYSA-O 0 0 389.472 3.178 20 30 GGEDRN COc1ccc(C)cc1[C@H](C)NC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000269392484 1434637082 /nfs/dbraw/zinc/63/70/82/1434637082.db2.gz RUTUGXWRKMNWCC-HNNXBMFYSA-N 0 0 395.459 3.478 20 30 GGEDRN COc1ccc([C@H](CO)N(C)C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 ZINC000269393695 1434637382 /nfs/dbraw/zinc/63/73/82/1434637382.db2.gz MNOGXALPYBLUDD-INIZCTEOSA-N 0 0 391.374 3.366 20 30 GGEDRN CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1 ZINC000269396202 1434637815 /nfs/dbraw/zinc/63/78/15/1434637815.db2.gz UFBOSWKVGOZGSS-UHFFFAOYSA-N 0 0 395.459 3.388 20 30 GGEDRN COC(=O)Nc1ccc(CNC(=O)CNc2cc(C#N)ccc2OC(C)C)cc1 ZINC000269406136 1434639507 /nfs/dbraw/zinc/63/95/07/1434639507.db2.gz HTXOFMHMMINRTA-UHFFFAOYSA-N 0 0 396.447 3.252 20 30 GGEDRN CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1ccc(C#N)cc1F ZINC000269424349 1434643378 /nfs/dbraw/zinc/64/33/78/1434643378.db2.gz MWFGRJMMKMRWLA-UHFFFAOYSA-N 0 0 375.469 3.064 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)C2(OCc3ccccc3)CCOCC2)cc1 ZINC000269427667 1434644176 /nfs/dbraw/zinc/64/41/76/1434644176.db2.gz MOQNVIRZHPPPHJ-UHFFFAOYSA-N 0 0 394.471 3.307 20 30 GGEDRN CNC(=O)COc1cccc(CC(=O)Nc2ccccc2SC[C@H](C)C#N)c1 ZINC000269456386 1434648555 /nfs/dbraw/zinc/64/85/55/1434648555.db2.gz UJUXIEOHEKODSE-OAHLLOKOSA-N 0 0 397.500 3.244 20 30 GGEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1cc(OC)c(OC)cc1OC)c1ccccc1 ZINC000269472224 1434650932 /nfs/dbraw/zinc/65/09/32/1434650932.db2.gz LGJKEBBWPYLGTI-MRXNPFEDSA-N 0 0 398.459 3.475 20 30 GGEDRN C=C(C)CN(CC)C(=O)C[S@@](=O)Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000269482092 1434652137 /nfs/dbraw/zinc/65/21/37/1434652137.db2.gz WTSWCPUJBZOJQF-MHZLTWQESA-N 0 0 390.505 3.414 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000269550487 1434658564 /nfs/dbraw/zinc/65/85/64/1434658564.db2.gz PVPKCOOUDXLUIR-UHFFFAOYSA-N 0 0 387.461 3.188 20 30 GGEDRN COC[C@@](C)(C#N)NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000269570510 1434660156 /nfs/dbraw/zinc/66/01/56/1434660156.db2.gz IGDATMMIZJZESE-MRXNPFEDSA-N 0 0 392.462 3.169 20 30 GGEDRN COC(=O)CCOc1ccc(NC(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000269578629 1434660665 /nfs/dbraw/zinc/66/06/65/1434660665.db2.gz ADPVJPJHERIXQF-UHFFFAOYSA-N 0 0 379.416 3.311 20 30 GGEDRN COC(=O)c1cc(NC(=O)NC2(c3cccc(C#N)c3)CC2)c(OC)c(OC)c1 ZINC000269584013 1434661163 /nfs/dbraw/zinc/66/11/63/1434661163.db2.gz CPCSMTJRWBKAPV-UHFFFAOYSA-N 0 0 395.415 3.173 20 30 GGEDRN CCOC(=O)c1cc(C)sc1NC(=O)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000269586259 1434661241 /nfs/dbraw/zinc/66/12/41/1434661241.db2.gz DIQDEAUFOHNHHL-INIZCTEOSA-N 0 0 399.472 3.333 20 30 GGEDRN COc1cc(/C=C/C(=O)NC2(c3cccc(C#N)c3)CC2)cc(OC)c1OC ZINC000269587296 1434661553 /nfs/dbraw/zinc/66/15/53/1434661553.db2.gz AINGFBLCMGSNON-BQYQJAHWSA-N 0 0 378.428 3.403 20 30 GGEDRN CCOc1cc(C(=O)N[C@@H](CCC#N)c2ccccc2)ccc1OCC(=O)OC ZINC000269589819 1434661711 /nfs/dbraw/zinc/66/17/11/1434661711.db2.gz BIMOMANKMHFSGV-SFHVURJKSA-N 0 0 396.443 3.412 20 30 GGEDRN N#Cc1cccc(C2(NC(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)CC2)c1 ZINC000269591075 1434661757 /nfs/dbraw/zinc/66/17/57/1434661757.db2.gz BVYSWZXTWFZHAX-SFHVURJKSA-N 0 0 391.446 3.355 20 30 GGEDRN N#Cc1cccc(C2(NC(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000269596062 1434662251 /nfs/dbraw/zinc/66/22/51/1434662251.db2.gz FCHXWTCWRNTKIR-UHFFFAOYSA-N 0 0 387.361 3.112 20 30 GGEDRN CCCCCCCOc1ccc(/C=C/C(=O)NCC2(CO)COC2)cc1OC ZINC000269599727 1434662501 /nfs/dbraw/zinc/66/25/01/1434662501.db2.gz MFXRSKIAFLIYJH-PKNBQFBNSA-N 0 0 391.508 3.183 20 30 GGEDRN N#Cc1ccccc1COc1cccc(C(=O)N2CCCC3(C2)OCCO3)c1 ZINC000269610024 1434663236 /nfs/dbraw/zinc/66/32/36/1434663236.db2.gz RNKZNBPGJOHGNT-UHFFFAOYSA-N 0 0 378.428 3.116 20 30 GGEDRN N#Cc1cccc(C2(NC(=O)Nc3cc(F)cc(N4CCOCC4)c3)CC2)c1 ZINC000269606537 1434663316 /nfs/dbraw/zinc/66/33/16/1434663316.db2.gz MTFMLBCABVUQQM-UHFFFAOYSA-N 0 0 380.423 3.345 20 30 GGEDRN C[C@H](CC(=O)c1ccco1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000269612356 1434663526 /nfs/dbraw/zinc/66/35/26/1434663526.db2.gz RHVGYGVTSNGRQQ-MRXNPFEDSA-N 0 0 381.432 3.084 20 30 GGEDRN COCCOc1cc(C)ccc1CNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000269614080 1434663528 /nfs/dbraw/zinc/66/35/28/1434663528.db2.gz BPSLFHRQTVMYOT-UHFFFAOYSA-N 0 0 379.460 3.380 20 30 GGEDRN N#CCC[C@H](NC(=O)N1CCN(C(=O)c2ccsc2)CC1)c1ccccc1 ZINC000269610648 1434663610 /nfs/dbraw/zinc/66/36/10/1434663610.db2.gz LZBWHAGVKUXNRS-SFHVURJKSA-N 0 0 382.489 3.261 20 30 GGEDRN CN(C)C(=O)C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)c2ccc(Cl)cc21 ZINC000269631890 1434665245 /nfs/dbraw/zinc/66/52/45/1434665245.db2.gz HXNAYWHBQQZQCP-OXQOHEQNSA-N 0 0 383.879 3.327 20 30 GGEDRN N#Cc1cccc(C2(NC(=O)c3ccc(S[C@H]4CCOC4=O)cc3)CC2)c1 ZINC000269631122 1434665317 /nfs/dbraw/zinc/66/53/17/1434665317.db2.gz VXRKSVYKRZLIOA-SFHVURJKSA-N 0 0 378.453 3.385 20 30 GGEDRN N#Cc1cccc(C2(NC(=O)NCc3ccc(CN4CCCC4=O)cc3)CC2)c1 ZINC000269674450 1434668482 /nfs/dbraw/zinc/66/84/82/1434668482.db2.gz LWEXAZCSNTXWFD-UHFFFAOYSA-N 0 0 388.471 3.169 20 30 GGEDRN CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCC#N)cc1 ZINC000269683304 1434668957 /nfs/dbraw/zinc/66/89/57/1434668957.db2.gz INZATBZPPWAHOR-HXUWFJFHSA-N 0 0 375.469 3.146 20 30 GGEDRN CCCNC(=O)c1cccc(CNC(=O)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000269717602 1434671750 /nfs/dbraw/zinc/67/17/50/1434671750.db2.gz SJOGIZVPBWISAV-UHFFFAOYSA-N 0 0 376.460 3.187 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)c2ccc(C#N)cc2)cc1 ZINC000269720635 1434671975 /nfs/dbraw/zinc/67/19/75/1434671975.db2.gz SRXFHGYZSFJWPH-UHFFFAOYSA-N 0 0 399.516 3.184 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000269741582 1434673363 /nfs/dbraw/zinc/67/33/63/1434673363.db2.gz KMPXJQGRLCVQLF-OAQYLSRUSA-N 0 0 387.480 3.242 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3C)cc1C#N ZINC000269768322 1434674469 /nfs/dbraw/zinc/67/44/69/1434674469.db2.gz BDBUFADUIXYXSP-UHFFFAOYSA-N 0 0 392.419 3.278 20 30 GGEDRN CS[C@@H](C)CNC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000269774119 1434674701 /nfs/dbraw/zinc/67/47/01/1434674701.db2.gz ANBOADAVLNQDFA-HNNXBMFYSA-N 0 0 397.500 3.138 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)cc1C#N ZINC000269777959 1434674944 /nfs/dbraw/zinc/67/49/44/1434674944.db2.gz AJMYAMIGKKMPDA-DVOMOZLQSA-N 0 0 386.452 3.006 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H](C)C2)cc1C#N ZINC000269778940 1434674980 /nfs/dbraw/zinc/67/49/80/1434674980.db2.gz AOEZFBMRMYMIHW-ZIAGYGMSSA-N 0 0 386.452 3.008 20 30 GGEDRN CS[C@@H](C)CNC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000269780537 1434675126 /nfs/dbraw/zinc/67/51/26/1434675126.db2.gz BGHMQPXIROJHBR-HNNXBMFYSA-N 0 0 397.500 3.252 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)NC2CCCCCCC2)cc1C#N ZINC000269789004 1434675611 /nfs/dbraw/zinc/67/56/11/1434675611.db2.gz FVGJWUYQYKSXLN-UHFFFAOYSA-N 0 0 386.452 3.294 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1C#N ZINC000269789853 1434675755 /nfs/dbraw/zinc/67/57/55/1434675755.db2.gz MQNPUBKEANNJMB-UHFFFAOYSA-N 0 0 385.449 3.264 20 30 GGEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NC[C@@H](C)SC)cc1 ZINC000269791001 1434675899 /nfs/dbraw/zinc/67/58/99/1434675899.db2.gz GORFEFMANJIFOI-CYBMUJFWSA-N 0 0 399.472 3.165 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)c2cn(CC(F)(F)F)nc2C)cc1C#N ZINC000269798734 1434676669 /nfs/dbraw/zinc/67/66/69/1434676669.db2.gz QGBSHEVAIBYGPQ-UHFFFAOYSA-N 0 0 395.341 3.446 20 30 GGEDRN COCCCOc1cccc(CNC(=O)NCc2ccc(OCC#N)cc2)c1 ZINC000269803151 1434676920 /nfs/dbraw/zinc/67/69/20/1434676920.db2.gz MQOMEHCTZSGETK-UHFFFAOYSA-N 0 0 383.448 3.004 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1C#N ZINC000269801215 1434676966 /nfs/dbraw/zinc/67/69/66/1434676966.db2.gz REEIEWYIQGLUAX-UHFFFAOYSA-N 0 0 386.368 3.134 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NCc2ccnc(OC(C)C)c2)c1 ZINC000269810764 1434677599 /nfs/dbraw/zinc/67/75/99/1434677599.db2.gz REIMKJDUCNTGCN-UHFFFAOYSA-N 0 0 383.448 3.079 20 30 GGEDRN CN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1C#N ZINC000269819991 1434678310 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30 GGEDRN C=CCN(CCc1ccco1)C(=O)NC1CCN(C(=O)C(CC)CC)CC1 ZINC000272273502 1434883228 /nfs/dbraw/zinc/88/32/28/1434883228.db2.gz AJEYZDATAZAQSZ-UHFFFAOYSA-N 0 0 375.513 3.447 20 30 GGEDRN CCn1c(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)nc2ccc(F)cc21 ZINC000272274092 1434883432 /nfs/dbraw/zinc/88/34/32/1434883432.db2.gz LVUWCQNSPVKPFK-UHFFFAOYSA-N 0 0 381.411 3.356 20 30 GGEDRN CC(C)c1nc([C@@H]2CCCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000272284178 1434884285 /nfs/dbraw/zinc/88/42/85/1434884285.db2.gz GAEKUTYNDKZZMR-MJGOQNOKSA-N 0 0 393.491 3.440 20 30 GGEDRN N#Cc1ccc(OCC(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000272295132 1434885218 /nfs/dbraw/zinc/88/52/18/1434885218.db2.gz KHGRPQNPRQYJDR-UHFFFAOYSA-N 0 0 378.354 3.016 20 30 GGEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000272299476 1434885439 /nfs/dbraw/zinc/88/54/39/1434885439.db2.gz KYRILSFBCXKGHQ-CYBMUJFWSA-N 0 0 392.381 3.405 20 30 GGEDRN C=CCN(CCc1ccco1)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000272300415 1434885598 /nfs/dbraw/zinc/88/55/98/1434885598.db2.gz PPVJWIFRBXAZJZ-UHFFFAOYSA-N 0 0 395.503 3.187 20 30 GGEDRN N#Cc1ccnc(N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1[N+](=O)[O-] ZINC000272309888 1434886204 /nfs/dbraw/zinc/88/62/04/1434886204.db2.gz YFWIAWIFPOGAFY-HNNXBMFYSA-N 0 0 381.440 3.411 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](CCOC)c2ccc(C)o2)c1 ZINC000272337317 1434888262 /nfs/dbraw/zinc/88/82/62/1434888262.db2.gz SMALWRXMEYQZPD-GOSISDBHSA-N 0 0 386.448 3.375 20 30 GGEDRN COCC[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(C)o1 ZINC000272337116 1434888388 /nfs/dbraw/zinc/88/83/88/1434888388.db2.gz SJYGEBXNCLKDHZ-QGZVFWFLSA-N 0 0 383.448 3.222 20 30 GGEDRN COCC[C@@H](NC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)c1ccc(C)o1 ZINC000272357606 1434890238 /nfs/dbraw/zinc/89/02/38/1434890238.db2.gz VUYGDVVBVZCSBW-QGZVFWFLSA-N 0 0 399.447 3.079 20 30 GGEDRN CCOC(=O)Nc1ccc(NCc2c(C)nn(CCC(=O)OC)c2C)cc1C#N ZINC000272360903 1434890390 /nfs/dbraw/zinc/89/03/90/1434890390.db2.gz NDXCFPQJNDQODM-UHFFFAOYSA-N 0 0 399.451 3.115 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)NCCc1ccc(OC)c(OC)c1OC ZINC000272364607 1434890592 /nfs/dbraw/zinc/89/05/92/1434890592.db2.gz QSGFJEHRTOETBB-UHFFFAOYSA-N 0 0 388.464 3.288 20 30 GGEDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000272366847 1434890799 /nfs/dbraw/zinc/89/07/99/1434890799.db2.gz SXGMRBXRHBBPMI-HQWTUQCVSA-N 0 0 399.491 3.364 20 30 GGEDRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000272366842 1434890817 /nfs/dbraw/zinc/89/08/17/1434890817.db2.gz SXGMRBXRHBBPMI-HBEJGUJUSA-N 0 0 399.491 3.364 20 30 GGEDRN Cc1nnc2n1C[C@@H](CNC(=O)c1ccccc1Oc1ccccc1C#N)CC2 ZINC000272371425 1434891237 /nfs/dbraw/zinc/89/12/37/1434891237.db2.gz REGYXXMIDGKSMT-MRXNPFEDSA-N 0 0 387.443 3.243 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000272378802 1434892001 /nfs/dbraw/zinc/89/20/01/1434892001.db2.gz YFMBPQMLTPJDMP-BBRMVZONSA-N 0 0 389.521 3.482 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@](C)(C#N)C(C)(C)C)c1 ZINC000272383012 1434892449 /nfs/dbraw/zinc/89/24/49/1434892449.db2.gz FLZZQNWFTLJRTD-GOSISDBHSA-N 0 0 399.944 3.429 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)Nc1ccc(C(=O)OC)c(C(=O)OC)c1 ZINC000272384880 1434892637 /nfs/dbraw/zinc/89/26/37/1434892637.db2.gz IEYYKAFHDGDNDY-UHFFFAOYSA-N 0 0 386.404 3.115 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O ZINC000272393290 1434893408 /nfs/dbraw/zinc/89/34/08/1434893408.db2.gz HOVYDAPNXLDWTC-NRFANRHFSA-N 0 0 397.450 3.205 20 30 GGEDRN CO[C@@H](C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000272404328 1434894284 /nfs/dbraw/zinc/89/42/84/1434894284.db2.gz BKCUAQKBVWWFRZ-HXUWFJFHSA-N 0 0 377.444 3.123 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(CCC(N)=O)CC2)cc1 ZINC000272407429 1434894302 /nfs/dbraw/zinc/89/43/02/1434894302.db2.gz KKMLQEJOZLYCSE-UHFFFAOYSA-N 0 0 398.507 3.010 20 30 GGEDRN CC(C)(C)[C@@](C)(C#N)NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000272413738 1434894662 /nfs/dbraw/zinc/89/46/62/1434894662.db2.gz LVWUHSMMINXRAW-HXUWFJFHSA-N 0 0 386.521 3.171 20 30 GGEDRN CCC[C@H]1C[C@H](C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CCO1 ZINC000272415778 1434894928 /nfs/dbraw/zinc/89/49/28/1434894928.db2.gz DAYRPYFVXLEHLT-QUCCMNQESA-N 0 0 383.492 3.331 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)c1 ZINC000272418975 1434895044 /nfs/dbraw/zinc/89/50/44/1434895044.db2.gz JYZLGPYXKUISCD-QZTJIDSGSA-N 0 0 397.456 3.012 20 30 GGEDRN COc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 ZINC000272439292 1434896118 /nfs/dbraw/zinc/89/61/18/1434896118.db2.gz ACYQULKAMKRCSW-HNAYVOBHSA-N 0 0 393.443 3.288 20 30 GGEDRN COc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 ZINC000272439296 1434896162 /nfs/dbraw/zinc/89/61/62/1434896162.db2.gz ACYQULKAMKRCSW-KXBFYZLASA-N 0 0 393.443 3.288 20 30 GGEDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000272437361 1434896226 /nfs/dbraw/zinc/89/62/26/1434896226.db2.gz OEGXDVKYTUNQIF-CHWSQXEVSA-N 0 0 376.432 3.464 20 30 GGEDRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000272444826 1434896799 /nfs/dbraw/zinc/89/67/99/1434896799.db2.gz JAIXPEWDNNJIER-ZOBUZTSGSA-N 0 0 386.496 3.120 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@](C)(C#N)C(C)(C)C)c1 ZINC000272453309 1434897343 /nfs/dbraw/zinc/89/73/43/1434897343.db2.gz WNUXDEYZDAZXTA-LJQANCHMSA-N 0 0 379.526 3.084 20 30 GGEDRN COc1ccc(CC[C@H](C)NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 ZINC000272458885 1434897713 /nfs/dbraw/zinc/89/77/13/1434897713.db2.gz CFRKINPMHLSBKW-JKSUJKDBSA-N 0 0 395.459 3.062 20 30 GGEDRN CSc1cc(C)ccc1CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000272458977 1434897798 /nfs/dbraw/zinc/89/77/98/1434897798.db2.gz CGWFRGQSWJLMOA-AWEZNQCLSA-N 0 0 383.473 3.263 20 30 GGEDRN COc1cc(C(=O)N(C)C)ccc1NC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000272472069 1434898662 /nfs/dbraw/zinc/89/86/62/1434898662.db2.gz DVKSWFPAILIMAU-CYBMUJFWSA-N 0 0 382.420 3.332 20 30 GGEDRN CCCOCc1ccccc1CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000272475502 1434899005 /nfs/dbraw/zinc/89/90/05/1434899005.db2.gz DYGYSBFGCRZURU-INIZCTEOSA-N 0 0 395.459 3.159 20 30 GGEDRN CC[C@H](NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccc(OC)cc1 ZINC000272481317 1434899423 /nfs/dbraw/zinc/89/94/23/1434899423.db2.gz FPWKBEOJZCUWBD-YOEHRIQHSA-N 0 0 381.432 3.192 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000272489430 1434899923 /nfs/dbraw/zinc/89/99/23/1434899923.db2.gz GHQUMCJPEBPINQ-DZGCQCFKSA-N 0 0 381.457 3.269 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000272489436 1434899974 /nfs/dbraw/zinc/89/99/74/1434899974.db2.gz GHQUMCJPEBPINQ-UKRRQHHQSA-N 0 0 381.457 3.269 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)NCc1ccccc1CN1CCCC1=O ZINC000272511616 1434902387 /nfs/dbraw/zinc/90/23/87/1434902387.db2.gz XMMIXDVNEBLHDR-UHFFFAOYSA-N 0 0 381.476 3.342 20 30 GGEDRN CC(C)c1ccccc1OCCNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000272512779 1434902492 /nfs/dbraw/zinc/90/24/92/1434902492.db2.gz IZAOZEDKTFTMKJ-MRXNPFEDSA-N 0 0 395.459 3.235 20 30 GGEDRN CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)C1(CC)CC ZINC000272519368 1434903280 /nfs/dbraw/zinc/90/32/80/1434903280.db2.gz JSCDXJLGJBYVOC-FHLIZLRMSA-N 0 0 387.480 3.016 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(OCC(=O)N(C)C)c1 ZINC000272521521 1434903759 /nfs/dbraw/zinc/90/37/59/1434903759.db2.gz LHDKCBIVDFRXTQ-CQSZACIVSA-N 0 0 382.420 3.088 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC1CC(C)(c2ccccc2)C1 ZINC000272524294 1434903931 /nfs/dbraw/zinc/90/39/31/1434903931.db2.gz KGTMGSRQQFQWRU-JUTLFCHVSA-N 0 0 377.444 3.152 20 30 GGEDRN CCCOc1ccc(CNC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 ZINC000272526370 1434904410 /nfs/dbraw/zinc/90/44/10/1434904410.db2.gz KLRVSOJOXHBQAQ-OAHLLOKOSA-N 0 0 381.432 3.021 20 30 GGEDRN CCCCS(=O)(=O)Nc1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000272528651 1434904541 /nfs/dbraw/zinc/90/45/41/1434904541.db2.gz MFZPITNVDUHABY-UHFFFAOYSA-N 0 0 378.498 3.386 20 30 GGEDRN COCC[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccco1 ZINC000272532701 1434904919 /nfs/dbraw/zinc/90/49/19/1434904919.db2.gz ZCXVYDXNYXJOFJ-SJORKVTESA-N 0 0 385.464 3.291 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCCCOCc1ccccc1 ZINC000272538519 1434905647 /nfs/dbraw/zinc/90/56/47/1434905647.db2.gz LWJUFHZLFXFTMW-KRWDZBQOSA-N 0 0 395.459 3.029 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000272538583 1434905702 /nfs/dbraw/zinc/90/57/02/1434905702.db2.gz LXSIADDPVKQJCC-HOCLYGCPSA-N 0 0 381.407 3.071 20 30 GGEDRN N#CCOc1cccc(NC(=O)NCCCOCCOCc2ccccc2)c1 ZINC000272542671 1434906120 /nfs/dbraw/zinc/90/61/20/1434906120.db2.gz OEDHGTMEQGKUPU-UHFFFAOYSA-N 0 0 383.448 3.334 20 30 GGEDRN CCCCCN(CCCOC)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000272544931 1434906356 /nfs/dbraw/zinc/90/63/56/1434906356.db2.gz FZOBUIVYQAHEQY-UHFFFAOYSA-N 0 0 385.512 3.206 20 30 GGEDRN CCN(CC)S(=O)(=O)c1cc(NC(=O)N2CCC(C)(C#N)CC2)ccc1C ZINC000272545811 1434906464 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GGEDRN CC(C)c1ccc(OCCNC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 ZINC000272567145 1434908524 /nfs/dbraw/zinc/90/85/24/1434908524.db2.gz PFXVHWODHQOGDM-MRXNPFEDSA-N 0 0 395.459 3.235 20 30 GGEDRN COc1ccc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000272570421 1434908778 /nfs/dbraw/zinc/90/87/78/1434908778.db2.gz RWGOINHLRVOHKF-IBGZPJMESA-N 0 0 378.432 3.192 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)/C=C/SCc3ccco3)C2=O)cc1 ZINC000272585418 1434910947 /nfs/dbraw/zinc/91/09/47/1434910947.db2.gz RLGSZGVYXNPCHB-ZPHJMFTNSA-N 0 0 381.457 3.210 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)c1cc(S(=O)(=O)C(C)C)ccc1F ZINC000272590696 1434911648 /nfs/dbraw/zinc/91/16/48/1434911648.db2.gz HSELWQWRGCLMTO-UHFFFAOYSA-N 0 0 379.453 3.472 20 30 GGEDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000272592111 1434911917 /nfs/dbraw/zinc/91/19/17/1434911917.db2.gz XKHCADXZOMPRDS-PBHICJAKSA-N 0 0 397.479 3.343 20 30 GGEDRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000272592125 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0 0 396.365 3.417 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000276007893 1435185294 /nfs/dbraw/zinc/18/52/94/1435185294.db2.gz SFKULCHGRWXIDN-UHFFFAOYSA-N 0 0 385.439 3.215 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000276015529 1435185818 /nfs/dbraw/zinc/18/58/18/1435185818.db2.gz BIYMFKSFVMBVHP-UHFFFAOYSA-N 0 0 393.447 3.213 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1)C1CC1 ZINC000276018979 1435185974 /nfs/dbraw/zinc/18/59/74/1435185974.db2.gz HQCOGXUNAWKTIB-UHFFFAOYSA-N 0 0 389.455 3.005 20 30 GGEDRN CCc1nc2c(s1)[C@@H](N(C)C(=O)C(=O)Nc1cccc(OCC#N)c1)CCC2 ZINC000276020330 1435186020 /nfs/dbraw/zinc/18/60/20/1435186020.db2.gz UKFMWKVZAJMRLW-INIZCTEOSA-N 0 0 398.488 3.082 20 30 GGEDRN CCOc1ccc(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1OC ZINC000276025777 1435186139 /nfs/dbraw/zinc/18/61/39/1435186139.db2.gz ICHLMYMDWHATHU-UHFFFAOYSA-N 0 0 393.443 3.095 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1ccc(OC)c(NC(=O)OC(C)(C)C)c1)C1CC1 ZINC000276023683 1435186149 /nfs/dbraw/zinc/18/61/49/1435186149.db2.gz HXIXIUATFBKHQF-UHFFFAOYSA-N 0 0 389.452 3.158 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000276028297 1435186357 /nfs/dbraw/zinc/18/63/57/1435186357.db2.gz VERQLSDRKDLVAZ-ZDUSSCGKSA-N 0 0 379.416 3.268 20 30 GGEDRN Cc1cc(NC(=O)C(=O)Nc2ccc(COC3CCCC3)cc2)nn1CCC#N ZINC000276031589 1435186586 /nfs/dbraw/zinc/18/65/86/1435186586.db2.gz LLDQZACRCCQMFR-UHFFFAOYSA-N 0 0 395.463 3.142 20 30 GGEDRN COCC(=O)N1CCc2cc(NC(=O)Nc3ccccc3O[C@H](C)C#N)ccc21 ZINC000276035525 1435187014 /nfs/dbraw/zinc/18/70/14/1435187014.db2.gz RJPIUGZSQRCODM-CQSZACIVSA-N 0 0 394.431 3.157 20 30 GGEDRN C#CCN(C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1 ZINC000276038878 1435187152 /nfs/dbraw/zinc/18/71/52/1435187152.db2.gz ALEQQWSBALHLDB-UHFFFAOYSA-N 0 0 378.272 3.287 20 30 GGEDRN COc1ccccc1COc1cccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)c1C ZINC000276038682 1435187177 /nfs/dbraw/zinc/18/71/77/1435187177.db2.gz RLIQUNPWUBLRAX-HNNXBMFYSA-N 0 0 395.459 3.282 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)N(Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000276045227 1435187493 /nfs/dbraw/zinc/18/74/93/1435187493.db2.gz HINOVTQOHROTBM-UHFFFAOYSA-N 0 0 393.447 3.060 20 30 GGEDRN CC[C@H](CSC)N(C)C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N ZINC000276044451 1435187499 /nfs/dbraw/zinc/18/74/99/1435187499.db2.gz XGNHAGFPKYEXDE-OAHLLOKOSA-N 0 0 398.488 3.284 20 30 GGEDRN CCOC(=O)N(C)c1ccc(NC(=O)C(=O)N(CCC#N)CCC(C)C)cc1 ZINC000276047828 1435187593 /nfs/dbraw/zinc/18/75/93/1435187593.db2.gz STUBBEMGLBTRKM-UHFFFAOYSA-N 0 0 388.468 3.006 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc2ccn(CCOC)c2c1 ZINC000276048921 1435187635 /nfs/dbraw/zinc/18/76/35/1435187635.db2.gz XXGIRYBHCKWPEV-UHFFFAOYSA-N 0 0 395.459 3.077 20 30 GGEDRN C[C@H](O)CN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@@H](C)CO ZINC000276048792 1435187698 /nfs/dbraw/zinc/18/76/98/1435187698.db2.gz OPSNENHYKVTYCX-KBPBESRZSA-N 0 0 387.411 3.085 20 30 GGEDRN CCc1ccc([C@H]2CCCCCN2C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)o1 ZINC000276050930 1435187941 /nfs/dbraw/zinc/18/79/41/1435187941.db2.gz MUSHTBKHZNNMCW-QGZVFWFLSA-N 0 0 397.479 3.343 20 30 GGEDRN C[C@@H]1C(=O)CC[C@H](C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1(C)C ZINC000276060494 1435188509 /nfs/dbraw/zinc/18/85/09/1435188509.db2.gz ZZPDPKTWEXJUIU-AGERRDQYSA-N 0 0 383.492 3.401 20 30 GGEDRN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)Nc2ncccc2OCCCC#N)c1 ZINC000276060024 1435188512 /nfs/dbraw/zinc/18/85/12/1435188512.db2.gz KEOHXJQCZXTANS-AWEZNQCLSA-N 0 0 397.435 3.382 20 30 GGEDRN COc1ccc(CNC(=O)Nc2ncccc2OCCCC#N)cc1[N+](=O)[O-] ZINC000276062350 1435188661 /nfs/dbraw/zinc/18/86/61/1435188661.db2.gz KOQLIQKFHFWYNT-UHFFFAOYSA-N 0 0 385.380 3.003 20 30 GGEDRN Cc1ccc([C@H]2CCCCCN2C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)o1 ZINC000276067998 1435189006 /nfs/dbraw/zinc/18/90/06/1435189006.db2.gz OCSPJSPSVDCUDC-MRXNPFEDSA-N 0 0 383.452 3.089 20 30 GGEDRN Cc1ccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)o1 ZINC000276067995 1435189015 /nfs/dbraw/zinc/18/90/15/1435189015.db2.gz OCSPJSPSVDCUDC-INIZCTEOSA-N 0 0 383.452 3.089 20 30 GGEDRN Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2cccc(C)c2C)nn1CCC#N ZINC000276065999 1435189030 /nfs/dbraw/zinc/18/90/30/1435189030.db2.gz ZSHINRPGAKSQJG-LJQANCHMSA-N 0 0 393.491 3.414 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C)CC2)cc1C#N ZINC000276069665 1435189199 /nfs/dbraw/zinc/18/91/99/1435189199.db2.gz GOSFCFIGDSYXOM-HIFRSBDPSA-N 0 0 386.452 3.150 20 30 GGEDRN COc1ccc([C@@H](CCO)NC(=O)Nc2ncccc2OCCCC#N)cc1 ZINC000276071218 1435189223 /nfs/dbraw/zinc/18/92/23/1435189223.db2.gz LYKYBMFFZBIAJU-QGZVFWFLSA-N 0 0 384.436 3.018 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000276075878 1435189602 /nfs/dbraw/zinc/18/96/02/1435189602.db2.gz ORWGXUJREKKDAE-UHFFFAOYSA-N 0 0 393.443 3.249 20 30 GGEDRN C[C@H](NC(=O)Nc1ncccc1OCCCC#N)c1ccc(NC(N)=O)cc1 ZINC000276080617 1435189791 /nfs/dbraw/zinc/18/97/91/1435189791.db2.gz OATHIRXPGGZDOS-ZDUSSCGKSA-N 0 0 382.424 3.137 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ncccc1OCCCC#N ZINC000276097434 1435190734 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COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000276114049 1435191746 /nfs/dbraw/zinc/19/17/46/1435191746.db2.gz XQROODCLJZMZBQ-RXVVDRJESA-N 0 0 395.459 3.483 20 30 GGEDRN CCOC(=O)[C@](C)(CNC(=O)Nc1cccc(OCC#N)c1)c1ccccc1 ZINC000276119331 1435192199 /nfs/dbraw/zinc/19/21/99/1435192199.db2.gz CJZJTVHFNKSXAB-OAQYLSRUSA-N 0 0 381.432 3.231 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000276129633 1435192892 /nfs/dbraw/zinc/19/28/92/1435192892.db2.gz YKRGCYRETSIBHR-UHFFFAOYSA-N 0 0 395.419 3.360 20 30 GGEDRN COC(=O)NCc1ccc(NC(=O)Nc2ncccc2OCCCC#N)cc1 ZINC000276130011 1435192928 /nfs/dbraw/zinc/19/29/28/1435192928.db2.gz YSKJTNMPAFXXQW-UHFFFAOYSA-N 0 0 383.408 3.264 20 30 GGEDRN CN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000276144297 1435193626 /nfs/dbraw/zinc/19/36/26/1435193626.db2.gz QQBJGIQPQNNNAI-MJGOQNOKSA-N 0 0 399.397 3.154 20 30 GGEDRN CN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000276144287 1435193665 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385.468 3.089 20 30 GGEDRN N#CCCN(Cc1ccccn1)C(=O)C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000277017659 1435252313 /nfs/dbraw/zinc/25/23/13/1435252313.db2.gz KVJUMJCFWLISSL-UHFFFAOYSA-N 0 0 397.504 3.467 20 30 GGEDRN C=C(C)[C@H](CC(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1)OCC ZINC000277023676 1435253055 /nfs/dbraw/zinc/25/30/55/1435253055.db2.gz WZATVXNIHQKZJS-IRXDYDNUSA-N 0 0 377.485 3.389 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000277030449 1435253936 /nfs/dbraw/zinc/25/39/36/1435253936.db2.gz FYKNSJIZKCVIST-KGLIPLIRSA-N 0 0 375.469 3.090 20 30 GGEDRN C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[S@@]1=O ZINC000277035934 1435254590 /nfs/dbraw/zinc/25/45/90/1435254590.db2.gz BLFPJNTVRNPPLY-RXBISOJRSA-N 0 0 393.578 3.060 20 30 GGEDRN CCSc1ccc(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000277086051 1435260554 /nfs/dbraw/zinc/26/05/54/1435260554.db2.gz SRFQXMCWOGPJKH-FQEVSTJZSA-N 0 0 393.512 3.130 20 30 GGEDRN Cc1nc(C(C)(C)C)sc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 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0 399.397 3.298 20 30 GGEDRN Cc1cc(NC(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)nn1CCC#N ZINC000277135724 1435266882 /nfs/dbraw/zinc/26/68/82/1435266882.db2.gz UVUNGQKDUSBOTG-NQIIRXRSSA-N 0 0 399.470 3.140 20 30 GGEDRN COc1cccc(CSC[C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C(=O)[O-])c1 ZINC000277160405 1435271035 /nfs/dbraw/zinc/27/10/35/1435271035.db2.gz DEPBRJKTUKTBGC-GOSISDBHSA-N 0 0 386.473 3.052 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1CN1CCOCC1 ZINC000277202301 1435277901 /nfs/dbraw/zinc/27/79/01/1435277901.db2.gz PUKYFCARXZAPDK-UHFFFAOYSA-N 0 0 375.472 3.219 20 30 GGEDRN N#Cc1ncccc1S(=O)(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000277231496 1435281908 /nfs/dbraw/zinc/28/19/08/1435281908.db2.gz SUSOFCJQACUXAL-CQSZACIVSA-N 0 0 391.880 3.086 20 30 GGEDRN N#Cc1ncccc1S(=O)(=O)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000277231494 1435282172 /nfs/dbraw/zinc/28/21/72/1435282172.db2.gz SUSOFCJQACUXAL-AWEZNQCLSA-N 0 0 391.880 3.086 20 30 GGEDRN C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000277271884 1435287494 /nfs/dbraw/zinc/28/74/94/1435287494.db2.gz QDGMLYWBVIWXGD-AWEZNQCLSA-N 0 0 399.447 3.373 20 30 GGEDRN Cc1cc([C@@H](C)NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1F ZINC000277286825 1435289721 /nfs/dbraw/zinc/28/97/21/1435289721.db2.gz SOVGMZRILKBLIL-QRWLVFNGSA-N 0 0 394.450 3.167 20 30 GGEDRN N#C[C@@H]1CN(C(=O)c2ncsc2C(F)(F)F)CCN1Cc1ccccc1 ZINC000277301976 1435291338 /nfs/dbraw/zinc/29/13/38/1435291338.db2.gz BAVYLFRRXVJSPU-CYBMUJFWSA-N 0 0 380.395 3.012 20 30 GGEDRN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000277378230 1435300300 /nfs/dbraw/zinc/30/03/00/1435300300.db2.gz CQDWRHOVTLFACE-RVXYDWPOSA-N 0 0 399.491 3.364 20 30 GGEDRN CC(C)Oc1ccc(N(C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000277385433 1435300735 /nfs/dbraw/zinc/30/07/35/1435300735.db2.gz YLVDDBDEHORXDS-GOSISDBHSA-N 0 0 390.443 3.435 20 30 GGEDRN N#Cc1ccc(OCCN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000277386489 1435300768 /nfs/dbraw/zinc/30/07/68/1435300768.db2.gz JEKMLMBIFLMGAF-LJQANCHMSA-N 0 0 382.464 3.441 20 30 GGEDRN COCCN(C(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000277403564 1435302279 /nfs/dbraw/zinc/30/22/79/1435302279.db2.gz HERXTEMQBUCPDK-LSDHHAIUSA-N 0 0 375.469 3.087 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000277408217 1435302657 /nfs/dbraw/zinc/30/26/57/1435302657.db2.gz HNBWXDPVMYDTJQ-ZIAGYGMSSA-N 0 0 391.468 3.071 20 30 GGEDRN Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C(F)(F)F)o1 ZINC000277419989 1435303560 /nfs/dbraw/zinc/30/35/60/1435303560.db2.gz AWPUFCGOMAWSIM-OAHLLOKOSA-N 0 0 391.349 3.009 20 30 GGEDRN CC(C)OCc1ccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000277442842 1435305101 /nfs/dbraw/zinc/30/51/01/1435305101.db2.gz FMPLMQDBRPMJMJ-UHFFFAOYSA-N 0 0 377.444 3.227 20 30 GGEDRN CCc1cc(N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nc(-c2ccncc2)n1 ZINC000277462684 1435306387 /nfs/dbraw/zinc/30/63/87/1435306387.db2.gz QTECRAGHHWXUAW-HXUWFJFHSA-N 0 0 398.470 3.186 20 30 GGEDRN COc1cc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1C#N ZINC000277475445 1435307046 /nfs/dbraw/zinc/30/70/46/1435307046.db2.gz BHJALWKSWOZCDG-SFHVURJKSA-N 0 0 394.427 3.081 20 30 GGEDRN Cc1nnc(N2CCC(O)(c3ccccc3C(F)(F)F)CC2)c(C#N)c1C ZINC000277476609 1435307181 /nfs/dbraw/zinc/30/71/81/1435307181.db2.gz QPDCWFSKHSBGEH-UHFFFAOYSA-N 0 0 376.382 3.472 20 30 GGEDRN CC[C@H](C)Oc1cccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000277483782 1435307640 /nfs/dbraw/zinc/30/76/40/1435307640.db2.gz IXKBADSFQJFXFP-HNNXBMFYSA-N 0 0 377.444 3.480 20 30 GGEDRN CN(C)c1ccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)cc1Cl ZINC000277504032 1435308830 /nfs/dbraw/zinc/30/88/30/1435308830.db2.gz KLPBQDDSZOXWOC-UHFFFAOYSA-N 0 0 382.851 3.022 20 30 GGEDRN Cc1nc(-c2ccncc2)nc(N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1C ZINC000277515807 1435309746 /nfs/dbraw/zinc/30/97/46/1435309746.db2.gz WYAMZYPFORQILS-HXUWFJFHSA-N 0 0 398.470 3.240 20 30 GGEDRN CC[C@H](C)[C@@H](NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C(F)(F)F ZINC000277521047 1435310249 /nfs/dbraw/zinc/31/02/49/1435310249.db2.gz GMDBRKDLDNXNAV-MGPLVRAMSA-N 0 0 381.402 3.244 20 30 GGEDRN N#Cc1ccc(Oc2cccc(NCc3nnnn3CC3CCOCC3)c2)cc1 ZINC000277530306 1435310702 /nfs/dbraw/zinc/31/07/02/1435310702.db2.gz OVRHIGYVMFRRTJ-UHFFFAOYSA-N 0 0 390.447 3.376 20 30 GGEDRN CC(C)(C#N)CCCCN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O ZINC000277551455 1435312274 /nfs/dbraw/zinc/31/22/74/1435312274.db2.gz JFHWBKHVGSSELE-NRFANRHFSA-N 0 0 385.464 3.335 20 30 GGEDRN Cc1cc(NC(=O)C(=O)Nc2cccc(C#N)c2)cnc1N1CCCC[C@H]1C ZINC000277585811 1435314495 /nfs/dbraw/zinc/31/44/95/1435314495.db2.gz RXMOTXAKOLLGGT-OAHLLOKOSA-N 0 0 377.448 3.218 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1c(Cl)cc(F)cc1Cl ZINC000277604013 1435315819 /nfs/dbraw/zinc/31/58/19/1435315819.db2.gz LJUWGUHNTPLUKE-JTQLQIEISA-N 0 0 394.237 3.145 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1c(Cl)cc(F)cc1Cl ZINC000277604015 1435315873 /nfs/dbraw/zinc/31/58/73/1435315873.db2.gz LJUWGUHNTPLUKE-SNVBAGLBSA-N 0 0 394.237 3.145 20 30 GGEDRN CCCn1ccnc1CCCN(C)C(=O)CCCOc1ccc(C#N)cc1OC ZINC000277612370 1435316396 /nfs/dbraw/zinc/31/63/96/1435316396.db2.gz QYKQAGMKDFDAHI-UHFFFAOYSA-N 0 0 398.507 3.424 20 30 GGEDRN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000277612205 1435316456 /nfs/dbraw/zinc/31/64/56/1435316456.db2.gz VHZCCLWARXRDRZ-KRWDZBQOSA-N 0 0 379.464 3.026 20 30 GGEDRN CC(C)(C)Oc1ccccc1NC(=O)C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000277623064 1435317193 /nfs/dbraw/zinc/31/71/93/1435317193.db2.gz WKCAPJUKVJWSJL-UHFFFAOYSA-N 0 0 377.444 3.480 20 30 GGEDRN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccc(C(C)(C)C#N)cc3)C2)n(C)n1 ZINC000277625108 1435317237 /nfs/dbraw/zinc/31/72/37/1435317237.db2.gz CQCRLRLUTVAYRL-GOSISDBHSA-N 0 0 380.496 3.320 20 30 GGEDRN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000277622748 1435317264 /nfs/dbraw/zinc/31/72/64/1435317264.db2.gz ANNWPRLKDOJSEP-OAQYLSRUSA-N 0 0 378.472 3.090 20 30 GGEDRN CCCOc1cc(F)ccc1NC(=O)C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000277630266 1435317558 /nfs/dbraw/zinc/31/75/58/1435317558.db2.gz XEDQMTHFCXSVAP-UHFFFAOYSA-N 0 0 381.407 3.230 20 30 GGEDRN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000277639132 1435318244 /nfs/dbraw/zinc/31/82/44/1435318244.db2.gz DBQCZJJSJNFKDQ-MRXNPFEDSA-N 0 0 375.469 3.356 20 30 GGEDRN N#CCCn1cc(C(=O)CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c2ccccc21 ZINC000277639485 1435318260 /nfs/dbraw/zinc/31/82/60/1435318260.db2.gz BZAACOJHAWQXFB-AUUYWEPGSA-N 0 0 393.409 3.373 20 30 GGEDRN COc1cccc(C2(NC(=O)C(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)c1 ZINC000277641276 1435318507 /nfs/dbraw/zinc/31/85/07/1435318507.db2.gz YAMRGQQKADSUIW-UHFFFAOYSA-N 0 0 393.443 3.098 20 30 GGEDRN Cc1cc(NC(=O)C(=O)Nc2ccc(C#N)cc2F)cnc1N1CCCC[C@@H]1C ZINC000277647038 1435318969 /nfs/dbraw/zinc/31/89/69/1435318969.db2.gz YPULEKWXYSUCAL-AWEZNQCLSA-N 0 0 395.438 3.357 20 30 GGEDRN COc1cccc(C2(NC(=O)C(=O)Nc3ccccc3SCCC#N)CC2)c1 ZINC000277653142 1435319367 /nfs/dbraw/zinc/31/93/67/1435319367.db2.gz ZCQKXIMTJFQJED-UHFFFAOYSA-N 0 0 395.484 3.445 20 30 GGEDRN Cc1nnc(SCC(=O)N2CCCC(C)(C)[C@@H]2C#N)n1Cc1ccccc1 ZINC000277653149 1435319422 /nfs/dbraw/zinc/31/94/22/1435319422.db2.gz ZCYUCJVNEQFXAN-KRWDZBQOSA-N 0 0 383.521 3.268 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000277668582 1435320471 /nfs/dbraw/zinc/32/04/71/1435320471.db2.gz HHJKVHKNLYYTOC-CVEARBPZSA-N 0 0 398.536 3.462 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000277668601 1435320486 /nfs/dbraw/zinc/32/04/86/1435320486.db2.gz HHJKVHKNLYYTOC-JKSUJKDBSA-N 0 0 398.536 3.462 20 30 GGEDRN N#CCCCCS(=O)(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000277679723 1435321324 /nfs/dbraw/zinc/32/13/24/1435321324.db2.gz IPNWSBFCUBTGGH-UHFFFAOYSA-N 0 0 390.427 3.324 20 30 GGEDRN N#Cc1ccc(NC(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)cc1Cl ZINC000277687017 1435321971 /nfs/dbraw/zinc/32/19/71/1435321971.db2.gz BNIIWGTUCQJSIU-UHFFFAOYSA-N 0 0 396.842 3.028 20 30 GGEDRN N#Cc1ccc(N2CCN(Cc3nccn3CC(F)(F)F)CC2)c(Cl)c1 ZINC000277725314 1435324838 /nfs/dbraw/zinc/32/48/38/1435324838.db2.gz JKUVZXVFHHFKLE-UHFFFAOYSA-N 0 0 383.805 3.293 20 30 GGEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@]1(CCO)CCOC1 ZINC000277742665 1435326206 /nfs/dbraw/zinc/32/62/06/1435326206.db2.gz PIIWBWJXBZCTGN-QFIPXVFZSA-N 0 0 395.459 3.109 20 30 GGEDRN C=CC[C@H]1N(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CCCC1(C)C ZINC000277759526 1435327939 /nfs/dbraw/zinc/32/79/39/1435327939.db2.gz SBVKJMDCDUORSP-QGZVFWFLSA-N 0 0 379.526 3.006 20 30 GGEDRN CC[C@@H](C)c1nnc([C@H](C)NC(=O)CCC(=O)N(CCC#N)c2ccccc2)[nH]1 ZINC000277781711 1435329622 /nfs/dbraw/zinc/32/96/22/1435329622.db2.gz JJGHXVDEOYIQRQ-CVEARBPZSA-N 0 0 396.495 3.222 20 30 GGEDRN C=CCC[C@@H](C(=O)N1CCC(c2nc(C(=O)OCC)n[nH]2)CC1)c1ccccc1 ZINC000277794008 1435331124 /nfs/dbraw/zinc/33/11/24/1435331124.db2.gz SUWIGHZUQVCNED-GOSISDBHSA-N 0 0 396.491 3.437 20 30 GGEDRN CCOC1CC(CNc2ccc(C(F)(F)F)c(C#N)c2)(N2CCOCC2)C1 ZINC000277803751 1435331973 /nfs/dbraw/zinc/33/19/73/1435331973.db2.gz HGMWBTACBNOUMU-UHFFFAOYSA-N 0 0 383.414 3.259 20 30 GGEDRN Cc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)c(C)c2)c(C)c1 ZINC000277815825 1435333017 /nfs/dbraw/zinc/33/30/17/1435333017.db2.gz IKAZLRFAZDAZGV-UHFFFAOYSA-N 0 0 385.489 3.051 20 30 GGEDRN Cc1ccc([C@@](O)(Cc2noc(Cc3ccc(C#N)cc3)n2)C(F)(F)F)o1 ZINC000277819120 1435333465 /nfs/dbraw/zinc/33/34/65/1435333465.db2.gz HLFKLDFLGIIVBU-KRWDZBQOSA-N 0 0 377.322 3.426 20 30 GGEDRN N#Cc1ccc(N2CCN(Cc3nc4ccsc4c(=O)[nH]3)CC2)c(Cl)c1 ZINC000277823336 1435333820 /nfs/dbraw/zinc/33/38/20/1435333820.db2.gz RARHCXRODGUWTI-UHFFFAOYSA-N 0 0 385.880 3.244 20 30 GGEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@]2(CCO)CCOC2)cc1 ZINC000277834967 1435334835 /nfs/dbraw/zinc/33/48/35/1435334835.db2.gz ZPNCZGAKZRZMKK-NRFANRHFSA-N 0 0 397.431 3.022 20 30 GGEDRN C=C[C@H](Cc1nc(CC(=O)NCCc2ccc(OC)cc2)no1)c1ccccc1 ZINC000277841721 1435335326 /nfs/dbraw/zinc/33/53/26/1435335326.db2.gz FWSUJKZBLCHAQU-GOSISDBHSA-N 0 0 391.471 3.492 20 30 GGEDRN CC(C)c1nnc(/C=C/C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)o1 ZINC000277847010 1435335644 /nfs/dbraw/zinc/33/56/44/1435335644.db2.gz ZYCNEUSCTIVDGI-AATRIKPKSA-N 0 0 385.855 3.080 20 30 GGEDRN C=CC[C@@H]1N(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)CCCC1(C)C ZINC000277910920 1435341628 /nfs/dbraw/zinc/34/16/28/1435341628.db2.gz YQGXIDCNGYFOOK-PBHICJAKSA-N 0 0 379.526 3.171 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)CC2)c(Cl)c1 ZINC000277936555 1435343787 /nfs/dbraw/zinc/34/37/87/1435343787.db2.gz JUYACVDYFDLUAN-APWZRJJASA-N 0 0 388.899 3.001 20 30 GGEDRN C[C@@H]1C[C@H](NC(=O)Nc2cccc(OCC#N)c2)CCN1C(=O)OC(C)(C)C ZINC000277944182 1435344693 /nfs/dbraw/zinc/34/46/93/1435344693.db2.gz JBIKIGFNBLVMCI-GDBMZVCRSA-N 0 0 388.468 3.498 20 30 GGEDRN CC(=O)Nc1ccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1F ZINC000277970832 1435347053 /nfs/dbraw/zinc/34/70/53/1435347053.db2.gz YVJCEUZYSLHBEG-UHFFFAOYSA-N 0 0 396.422 3.171 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N2CCC(Oc3ccncc3C)CC2)cc1 ZINC000277976588 1435347160 /nfs/dbraw/zinc/34/71/60/1435347160.db2.gz LYKFILLVYMZUSX-UHFFFAOYSA-N 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389.399 3.008 20 30 GGEDRN CC(C)(C#N)CC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000278274936 1435375682 /nfs/dbraw/zinc/37/56/82/1435375682.db2.gz PINHDSMZDZXGMC-MRXNPFEDSA-N 0 0 383.414 3.135 20 30 GGEDRN CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1nc(Cc2cccc(F)c2)no1 ZINC000278281458 1435376126 /nfs/dbraw/zinc/37/61/26/1435376126.db2.gz QDZJIOKXNMMBQR-NVMNQCDNSA-N 0 0 389.452 3.332 20 30 GGEDRN CS(=O)(=O)[C@H]1CCCCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000278283489 1435376347 /nfs/dbraw/zinc/37/63/47/1435376347.db2.gz ZESVMKVISXTXFC-ZDUSSCGKSA-N 0 0 389.399 3.008 20 30 GGEDRN CCC[C@]1(CO)CCCN1C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000278290382 1435376763 /nfs/dbraw/zinc/37/67/63/1435376763.db2.gz KVSMUGKAZUMOTF-MGPUTAFESA-N 0 0 389.521 3.173 20 30 GGEDRN CCC[C@]1(CO)CCCN1C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000278290379 1435376820 /nfs/dbraw/zinc/37/68/20/1435376820.db2.gz KVSMUGKAZUMOTF-FOIQADDNSA-N 0 0 389.521 3.173 20 30 GGEDRN COc1ccc([C@@H]2[C@@H](C(=O)Oc3ccc(C#N)c(OC)c3)CCC(=O)N2C)cc1 ZINC000278291089 1435376910 /nfs/dbraw/zinc/37/69/10/1435376910.db2.gz GBUUFTURSGMLIU-GHTZIAJQSA-N 0 0 394.427 3.091 20 30 GGEDRN C=C[C@@H](CC(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccccc1 ZINC000278308179 1435378306 /nfs/dbraw/zinc/37/83/06/1435378306.db2.gz JKHXTBLIWRLUCR-INIZCTEOSA-N 0 0 376.464 3.158 20 30 GGEDRN CCC[C@@]1(CO)CCCN1C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000278321156 1435379724 /nfs/dbraw/zinc/37/97/24/1435379724.db2.gz NLJXBUWDYQNSDH-QRWLVFNGSA-N 0 0 389.521 3.030 20 30 GGEDRN CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)CCCCC(C)(C)C#N ZINC000278330362 1435380758 /nfs/dbraw/zinc/38/07/58/1435380758.db2.gz UAUGFTVABAVGRW-UHFFFAOYSA-N 0 0 390.509 3.467 20 30 GGEDRN C=CC[C@H]1N(C(=O)C(=O)Nc2cccc(-c3nncn3C)c2)CCCC1(C)C ZINC000278342068 1435381878 /nfs/dbraw/zinc/38/18/78/1435381878.db2.gz PPDZQNOCRIRCOU-QGZVFWFLSA-N 0 0 381.480 3.014 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000278346881 1435382252 /nfs/dbraw/zinc/38/22/52/1435382252.db2.gz CRJGJCCHRGDEKC-HNNXBMFYSA-N 0 0 399.426 3.374 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(-c2ccccc2)c(CC(=O)OC)s1 ZINC000278352646 1435383129 /nfs/dbraw/zinc/38/31/29/1435383129.db2.gz ZUMJCUPMZUGJMO-RDTXWAMCSA-N 0 0 386.473 3.445 20 30 GGEDRN C=CC[C@@H]1N(C(=O)C(=O)Nc2ccc(F)cc2C(=O)N(C)C)CCCC1(C)C ZINC000278366124 1435384185 /nfs/dbraw/zinc/38/41/85/1435384185.db2.gz SAINGJWQTJFZHH-KRWDZBQOSA-N 0 0 389.471 3.059 20 30 GGEDRN C=CC[C@@H]1N(C(=O)C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)CCCC1(C)C ZINC000278382160 1435385697 /nfs/dbraw/zinc/38/56/97/1435385697.db2.gz UKMOKEAXYUKNTI-KRWDZBQOSA-N 0 0 389.471 3.059 20 30 GGEDRN Cc1sc(NC(=O)CN2CCC(Oc3ncccc3F)CC2)c(C#N)c1C ZINC000278384453 1435385875 /nfs/dbraw/zinc/38/58/75/1435385875.db2.gz UOWYNCZOOYBKJA-UHFFFAOYSA-N 0 0 388.468 3.253 20 30 GGEDRN CS(=O)(=O)[C@H]1CCCCN(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000278389639 1435386366 /nfs/dbraw/zinc/38/63/66/1435386366.db2.gz JUIKUEJJWOVMQC-KRWDZBQOSA-N 0 0 382.485 3.265 20 30 GGEDRN C=CCn1c(C2CC2)nnc1S(=O)(=O)Cc1nc(-c2ccccc2)cs1 ZINC000278390512 1435386709 /nfs/dbraw/zinc/38/67/09/1435386709.db2.gz ZVBHYIUJEIFUFD-UHFFFAOYSA-N 0 0 386.502 3.439 20 30 GGEDRN C=CCOc1ccc(CNc2cnn(Cc3nnc4n3CCCC4)c2)cc1OC ZINC000278478727 1435393907 /nfs/dbraw/zinc/39/39/07/1435393907.db2.gz IZSMCPCLHYICSY-UHFFFAOYSA-N 0 0 394.479 3.045 20 30 GGEDRN C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2nc(C3CC3)cs2)cc1 ZINC000278503551 1435395480 /nfs/dbraw/zinc/39/54/80/1435395480.db2.gz ANPBVTCVPCPKHK-NSHDSACASA-N 0 0 390.490 3.028 20 30 GGEDRN CCNC(=O)Nc1ccc(C)c(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c1 ZINC000278508441 1435395954 /nfs/dbraw/zinc/39/59/54/1435395954.db2.gz OOVACUSDVCLUIO-UHFFFAOYSA-N 0 0 395.463 3.297 20 30 GGEDRN N#Cc1cc(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)ccc1F ZINC000278512194 1435396141 /nfs/dbraw/zinc/39/61/41/1435396141.db2.gz BOSXLVPNNKQBBN-KRWDZBQOSA-N 0 0 382.395 3.250 20 30 GGEDRN Cc1[nH]nc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c1C#N ZINC000278512410 1435396303 /nfs/dbraw/zinc/39/63/03/1435396303.db2.gz AZZBMULCGZYEFA-CQSZACIVSA-N 0 0 392.246 3.140 20 30 GGEDRN Cc1cccc(OCCCNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c1C ZINC000278523099 1435397078 /nfs/dbraw/zinc/39/70/78/1435397078.db2.gz QOMVHBMCBXJZIP-UHFFFAOYSA-N 0 0 381.476 3.410 20 30 GGEDRN Cc1cnccc1OC1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000278531279 1435397565 /nfs/dbraw/zinc/39/75/65/1435397565.db2.gz FBENUEDUFITUQH-UHFFFAOYSA-N 0 0 384.867 3.397 20 30 GGEDRN Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1ccc(F)c(C#N)c1 ZINC000278535090 1435398055 /nfs/dbraw/zinc/39/80/55/1435398055.db2.gz DUAYZUVMRJGOTG-UHFFFAOYSA-N 0 0 383.448 3.447 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccncc2)cc1 ZINC000278539822 1435398295 /nfs/dbraw/zinc/39/82/95/1435398295.db2.gz GGCPHTCFNNIIIO-KDOFPFPSSA-N 0 0 384.461 3.136 20 30 GGEDRN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000278540455 1435398592 /nfs/dbraw/zinc/39/85/92/1435398592.db2.gz NTSKTAVQLJBDHY-JOCHJYFZSA-N 0 0 399.491 3.105 20 30 GGEDRN N#CC1(NC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CCSCC1 ZINC000278540938 1435398614 /nfs/dbraw/zinc/39/86/14/1435398614.db2.gz FMSRFLJIEZKZHA-UHFFFAOYSA-N 0 0 382.367 3.275 20 30 GGEDRN CC1=C(C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H](C)n2ncnc2N1C ZINC000278549752 1435399220 /nfs/dbraw/zinc/39/92/20/1435399220.db2.gz GKQUNDLYWXCWTN-TZMCWYRMSA-N 0 0 382.493 3.453 20 30 GGEDRN COCCCNC(=O)c1c(NC(=O)CC(C)(C)C#N)sc2c1CCCC2 ZINC000278550091 1435399335 /nfs/dbraw/zinc/39/93/35/1435399335.db2.gz OFBKGMAKBYMINZ-UHFFFAOYSA-N 0 0 377.510 3.272 20 30 GGEDRN N#CCCn1cc(CNc2cccc(C(=O)NC3CC3)c2)c(-c2ccncc2)n1 ZINC000278564676 1435400707 /nfs/dbraw/zinc/40/07/07/1435400707.db2.gz CXDGTPBVNCIPTR-UHFFFAOYSA-N 0 0 386.459 3.363 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](Oc3ncccc3F)C2)cc1 ZINC000278576444 1435401872 /nfs/dbraw/zinc/40/18/72/1435401872.db2.gz XQFISBLMXNCYHZ-QGZVFWFLSA-N 0 0 398.438 3.212 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000278576440 1435401878 /nfs/dbraw/zinc/40/18/78/1435401878.db2.gz XQFISBLMXNCYHZ-KRWDZBQOSA-N 0 0 398.438 3.212 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)n1 ZINC000278579401 1435402257 /nfs/dbraw/zinc/40/22/57/1435402257.db2.gz CLWVYTJOADFNDI-UHFFFAOYSA-N 0 0 381.480 3.099 20 30 GGEDRN COC(=O)c1c[nH]c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n1 ZINC000278592898 1435403346 /nfs/dbraw/zinc/40/33/46/1435403346.db2.gz HCLKUWASBVGIBB-LLVKDONJSA-N 0 0 390.490 3.321 20 30 GGEDRN COc1ccc(CN(C)C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cc1 ZINC000278595851 1435403646 /nfs/dbraw/zinc/40/36/46/1435403646.db2.gz LNLFVBFFFPYMNA-CQSZACIVSA-N 0 0 387.461 3.045 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccc(N3CCSCC3)cc2)n1 ZINC000278602491 1435404217 /nfs/dbraw/zinc/40/42/17/1435404217.db2.gz BDFLBAZFNDJQOS-UHFFFAOYSA-N 0 0 383.521 3.124 20 30 GGEDRN C[C@@H]1OCC[C@]1(O)CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000278605916 1435404658 /nfs/dbraw/zinc/40/46/58/1435404658.db2.gz BIVVYRUUEPHRKP-RBZFPXEDSA-N 0 0 385.395 3.151 20 30 GGEDRN Cc1csc([C@H](C)CNC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)n1 ZINC000278618465 1435406540 /nfs/dbraw/zinc/40/65/40/1435406540.db2.gz NBBHPABZVKCJKT-YPMHNXCESA-N 0 0 392.506 3.063 20 30 GGEDRN N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCC(F)(F)F ZINC000278621863 1435406739 /nfs/dbraw/zinc/40/67/39/1435406739.db2.gz PCIPMERAZQDFAI-UHFFFAOYSA-N 0 0 399.316 3.328 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)N[C@H](c2ccc(OC)cc2)C(F)(F)F)n1 ZINC000278650457 1435410078 /nfs/dbraw/zinc/41/00/78/1435410078.db2.gz DWSRXMMEJGAZFC-QGZVFWFLSA-N 0 0 394.397 3.360 20 30 GGEDRN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NC3(C#N)CCCCC3)[nH]n2)C1 ZINC000278655808 1435410793 /nfs/dbraw/zinc/41/07/93/1435410793.db2.gz MISOGQKMZIGNSY-AWEZNQCLSA-N 0 0 387.484 3.090 20 30 GGEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)C3CCC(C(F)(F)F)CC3)C2=O)cc1 ZINC000278661026 1435411370 /nfs/dbraw/zinc/41/13/70/1435411370.db2.gz RZXUTJWIOPZAQM-OFLPRAFFSA-N 0 0 393.409 3.144 20 30 GGEDRN CCNC(=O)Nc1ccc(C)c(NC(=O)COc2ccc(C#N)cc2OC)c1 ZINC000278683099 1435413849 /nfs/dbraw/zinc/41/38/49/1435413849.db2.gz OXPQOWBFSMEZBZ-UHFFFAOYSA-N 0 0 382.420 3.034 20 30 GGEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278700863 1435415390 /nfs/dbraw/zinc/41/53/90/1435415390.db2.gz NOZXEUWCADFPED-UHFFFAOYSA-N 0 0 392.419 3.463 20 30 GGEDRN CC(C)Oc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cn1 ZINC000278710755 1435416220 /nfs/dbraw/zinc/41/62/20/1435416220.db2.gz RSXCNBJMYLDAGB-UHFFFAOYSA-N 0 0 376.464 3.331 20 30 GGEDRN COc1ccccc1CC(=O)N1CCC(Nc2nc(Cl)c(C#N)s2)CC1 ZINC000278709190 1435416234 /nfs/dbraw/zinc/41/62/34/1435416234.db2.gz NTWYWPLWDKZNQM-UHFFFAOYSA-N 0 0 390.896 3.322 20 30 GGEDRN Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(F)c1Cl ZINC000278719345 1435417066 /nfs/dbraw/zinc/41/70/66/1435417066.db2.gz LGZBXCMZXXTBJW-INIZCTEOSA-N 0 0 385.826 3.190 20 30 GGEDRN C=CCn1c(COc2ccccc2F)nnc1SC[C@@H](O)COCCCC ZINC000278723784 1435417545 /nfs/dbraw/zinc/41/75/45/1435417545.db2.gz OZLPQXSRZOYGNQ-HNNXBMFYSA-N 0 0 395.500 3.452 20 30 GGEDRN C#CCn1ccc(CN(CC)CC(=O)Nc2cccc(-c3csc(C)n3)c2)n1 ZINC000278725970 1435417598 /nfs/dbraw/zinc/41/75/98/1435417598.db2.gz AKXAWZJZLNYVNJ-UHFFFAOYSA-N 0 0 393.516 3.409 20 30 GGEDRN COc1ccc(CNc2ccc3c(c2)N(C(N)=O)CC3)cc1OCCCC#N ZINC000278728569 1435417809 /nfs/dbraw/zinc/41/78/09/1435417809.db2.gz LOLCUYAKDYWGHM-UHFFFAOYSA-N 0 0 380.448 3.431 20 30 GGEDRN CCCO[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1 ZINC000278737134 1435418709 /nfs/dbraw/zinc/41/87/09/1435418709.db2.gz WGHTYVLGWYAKSX-RDJZCZTQSA-N 0 0 393.509 3.185 20 30 GGEDRN CCCO[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1 ZINC000278737121 1435418812 /nfs/dbraw/zinc/41/88/12/1435418812.db2.gz WGHTYVLGWYAKSX-DOTOQJQBSA-N 0 0 393.509 3.185 20 30 GGEDRN CCCCCCC[C@@H](C)CNC(=O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000278744180 1435419359 /nfs/dbraw/zinc/41/93/59/1435419359.db2.gz AFFVHVHUJDLVRO-WBVHZDCISA-N 0 0 378.517 3.323 20 30 GGEDRN N#Cc1sc(N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)nc1Cl ZINC000278747023 1435419678 /nfs/dbraw/zinc/41/96/78/1435419678.db2.gz RNWIRBKLKJDCQK-UHFFFAOYSA-N 0 0 390.852 3.252 20 30 GGEDRN C[C@H](CN(C)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)c1nccs1 ZINC000278750894 1435420063 /nfs/dbraw/zinc/42/00/63/1435420063.db2.gz WZDKCEKKZQCJRA-OLZOCXBDSA-N 0 0 392.506 3.096 20 30 GGEDRN C=CCn1c(SC[C@@H](O)COCCCC)nnc1-c1ccccc1OC ZINC000278755924 1435420502 /nfs/dbraw/zinc/42/05/02/1435420502.db2.gz RJXOXVRUMWCTAM-HNNXBMFYSA-N 0 0 377.510 3.409 20 30 GGEDRN C=CCn1c(SC[C@H](O)COCCCC)nnc1-c1ccccc1OC ZINC000278755926 1435420682 /nfs/dbraw/zinc/42/06/82/1435420682.db2.gz RJXOXVRUMWCTAM-OAHLLOKOSA-N 0 0 377.510 3.409 20 30 GGEDRN C#CCOc1ccc(C=C(C)c2ncc(C(=O)OCC)c(=O)[nH]2)cc1OCC ZINC000278769829 1435421765 /nfs/dbraw/zinc/42/17/65/1435421765.db2.gz NPJIRRKNVPXBCO-SDNWHVSQSA-N 0 0 382.416 3.330 20 30 GGEDRN C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000278773662 1435422320 /nfs/dbraw/zinc/42/23/20/1435422320.db2.gz YXAWPDXSZJKESP-WMZOPIPTSA-N 0 0 397.500 3.469 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000278807525 1435425584 /nfs/dbraw/zinc/42/55/84/1435425584.db2.gz OXTKFBUGLDYOSK-GOSISDBHSA-N 0 0 397.441 3.043 20 30 GGEDRN CC(C)(C#N)CC(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000278829516 1435428113 /nfs/dbraw/zinc/42/81/13/1435428113.db2.gz UWYRLQAUWZYZCO-HNNXBMFYSA-N 0 0 381.398 3.252 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1nc2c(s1)CCCCCC2)c1ccc(C#N)cc1 ZINC000278836043 1435428760 /nfs/dbraw/zinc/42/87/60/1435428760.db2.gz IVVQVBOXAOPNLD-CYBMUJFWSA-N 0 0 382.489 3.490 20 30 GGEDRN COc1ccc(C)cc1[C@H](C)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000278862116 1435432588 /nfs/dbraw/zinc/43/25/88/1435432588.db2.gz LGZTYGTVBHMTKZ-AWEZNQCLSA-N 0 0 382.464 3.248 20 30 GGEDRN CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cn(CCC#N)nc1-c1ccncc1 ZINC000278866023 1435433115 /nfs/dbraw/zinc/43/31/15/1435433115.db2.gz VJJTYTDVJRBMLW-HXUWFJFHSA-N 0 0 392.507 3.402 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)n1 ZINC000278878059 1435434515 /nfs/dbraw/zinc/43/45/15/1435434515.db2.gz ZHSPYGAOKQOZML-UHFFFAOYSA-N 0 0 398.417 3.249 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2cc(Cl)c(F)c(C(=O)OC)c2)n1 ZINC000278884217 1435435076 /nfs/dbraw/zinc/43/50/76/1435435076.db2.gz ZXTUMECXSSWELB-UHFFFAOYSA-N 0 0 392.818 3.149 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000278883891 1435435269 /nfs/dbraw/zinc/43/52/69/1435435269.db2.gz DEXVPDDDLFIRLQ-UHFFFAOYSA-N 0 0 380.326 3.106 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2cc3c(cc2OCC)C[C@@H](C)O3)n1 ZINC000278890340 1435436249 /nfs/dbraw/zinc/43/62/49/1435436249.db2.gz PPHCSJXGPCWFGK-OAHLLOKOSA-N 0 0 382.464 3.292 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2cccc(COCCOCC)c2C)n1 ZINC000278902075 1435437753 /nfs/dbraw/zinc/43/77/53/1435437753.db2.gz VCTCKJOVXNDJOC-UHFFFAOYSA-N 0 0 398.507 3.432 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2cccc(N3CCCCC3=O)c2)n1 ZINC000278912488 1435438883 /nfs/dbraw/zinc/43/88/83/1435438883.db2.gz SFHUOSPYDOXPIT-UHFFFAOYSA-N 0 0 379.464 3.087 20 30 GGEDRN N#Cc1cccc(OC2CCN(C(=O)c3ccc(O[C@@H]4CCOC4)cc3)CC2)c1 ZINC000278955095 1435444944 /nfs/dbraw/zinc/44/49/44/1435444944.db2.gz DHKFIDMXLROMBV-JOCHJYFZSA-N 0 0 392.455 3.410 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)n1 ZINC000278963782 1435446291 /nfs/dbraw/zinc/44/62/91/1435446291.db2.gz NSRNVABPJPBNDP-PKNBQFBNSA-N 0 0 381.476 3.374 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2cccc(COc3ccc(C)nc3)c2)n1 ZINC000278968910 1435446684 /nfs/dbraw/zinc/44/66/84/1435446684.db2.gz OIOMUXPIRQGVJQ-UHFFFAOYSA-N 0 0 388.471 3.461 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(C2CCC2)cc1 ZINC000278974081 1435447639 /nfs/dbraw/zinc/44/76/39/1435447639.db2.gz QKEUGBSOYNIKGQ-OAHLLOKOSA-N 0 0 376.464 3.358 20 30 GGEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000278983802 1435448656 /nfs/dbraw/zinc/44/86/56/1435448656.db2.gz QDLVBYFACLFYOI-MRXNPFEDSA-N 0 0 378.476 3.265 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)CCc2nc(C)c(-c3ccccc3)o2)n1 ZINC000278986638 1435448944 /nfs/dbraw/zinc/44/89/44/1435448944.db2.gz QLTBCUNJVPNHSE-UHFFFAOYSA-N 0 0 376.460 3.461 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccc3oc(C(=O)OC)cc3c2)n1 ZINC000278987272 1435449129 /nfs/dbraw/zinc/44/91/29/1435449129.db2.gz DLNRXLZFWUJRIA-UHFFFAOYSA-N 0 0 380.404 3.103 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)n1 ZINC000278999644 1435450533 /nfs/dbraw/zinc/45/05/33/1435450533.db2.gz SCFGRZJOJZDJEY-UHFFFAOYSA-N 0 0 386.455 3.176 20 30 GGEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@]1(O)CCO[C@@H]1C ZINC000279002183 1435450795 /nfs/dbraw/zinc/45/07/95/1435450795.db2.gz FZISBEQENRFXPD-QVKFZJNVSA-N 0 0 381.432 3.320 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)n1 ZINC000279005467 1435451209 /nfs/dbraw/zinc/45/12/09/1435451209.db2.gz STSWBRSPXUVBAG-UHFFFAOYSA-N 0 0 382.851 3.416 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000279007786 1435451385 /nfs/dbraw/zinc/45/13/85/1435451385.db2.gz NCLOGKSFRQKLHX-FZKQIMNGSA-N 0 0 380.872 3.083 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N2CCC(c3ccnn3CC)CC2)cc1 ZINC000279022474 1435452916 /nfs/dbraw/zinc/45/29/16/1435452916.db2.gz HTQVCMIUUISKQR-UHFFFAOYSA-N 0 0 381.480 3.230 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2nnc(Cc3ccccc3F)s2)n1 ZINC000279024412 1435453193 /nfs/dbraw/zinc/45/31/93/1435453193.db2.gz IAEJTBAOHKOKSR-UHFFFAOYSA-N 0 0 398.467 3.152 20 30 GGEDRN C[C@](C#N)(CCc1ccccc1)NC(=O)Cc1cccc(N2CCCC2=O)c1 ZINC000279031149 1435453990 /nfs/dbraw/zinc/45/39/90/1435453990.db2.gz PPVDJPSOPXIGHF-HSZRJFAPSA-N 0 0 375.472 3.387 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)Nc2cc([C@@H]3CCCO3)nn2C)cc1OC ZINC000279035775 1435454475 /nfs/dbraw/zinc/45/44/75/1435454475.db2.gz BCOHPHJDLQLGIM-VMSUTVGLSA-N 0 0 383.448 3.497 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2cc(Cl)c(OCC)c(OC)c2)n1 ZINC000279039261 1435454631 /nfs/dbraw/zinc/45/46/31/1435454631.db2.gz XSWDPQPCUYNGPI-UHFFFAOYSA-N 0 0 375.856 3.239 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)n1 ZINC000279042959 1435455038 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GGEDRN C=CCSc1ccccc1NC(=O)CN1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279105484 1435460951 /nfs/dbraw/zinc/46/09/51/1435460951.db2.gz QGPWLMGNRFMFEO-MRXNPFEDSA-N 0 0 376.522 3.173 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCOC4(CCC4)C3)CC2)c(Cl)c1 ZINC000279118103 1435462177 /nfs/dbraw/zinc/46/21/77/1435462177.db2.gz VIVWAWGCONGQDA-INIZCTEOSA-N 0 0 388.899 3.145 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000279122279 1435462377 /nfs/dbraw/zinc/46/23/77/1435462377.db2.gz UWBKLASMQBXENK-INIZCTEOSA-N 0 0 382.439 3.208 20 30 GGEDRN CSc1nnc(CCCNC(=O)c2ccc(F)c(C#N)c2)n1CC(C)C ZINC000279124469 1435462509 /nfs/dbraw/zinc/46/25/09/1435462509.db2.gz AUDRZFAGNYWVMH-UHFFFAOYSA-N 0 0 375.473 3.029 20 30 GGEDRN C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279126977 1435462847 /nfs/dbraw/zinc/46/28/47/1435462847.db2.gz WREVGSQKTXAAAP-CYBMUJFWSA-N 0 0 384.436 3.198 20 30 GGEDRN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279134848 1435463991 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STJZMMXYSVDMAC-SFHVURJKSA-N 0 0 385.851 3.305 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)NCc2ccc(OCCCC)c(OC)c2)n1 ZINC000279244305 1435476213 /nfs/dbraw/zinc/47/62/13/1435476213.db2.gz OKZHDGHEVZGCEN-UHFFFAOYSA-N 0 0 398.507 3.436 20 30 GGEDRN C[C@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CC2(CCOCC2)O1 ZINC000279246234 1435476497 /nfs/dbraw/zinc/47/64/97/1435476497.db2.gz RDZHHAUQPKBXKS-INIZCTEOSA-N 0 0 396.443 3.140 20 30 GGEDRN C[C@@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CC2(CCOCC2)O1 ZINC000279246235 1435476584 /nfs/dbraw/zinc/47/65/84/1435476584.db2.gz RDZHHAUQPKBXKS-MRXNPFEDSA-N 0 0 396.443 3.140 20 30 GGEDRN CCn1nccc1C1CCN(C(=O)/C=C/c2ccc(OCC#N)c(OC)c2)CC1 ZINC000279245695 1435476645 /nfs/dbraw/zinc/47/66/45/1435476645.db2.gz ORLOQONBGAUQDL-FNORWQNLSA-N 0 0 394.475 3.233 20 30 GGEDRN N#Cc1cccc(-c2cc(C(=O)N(Cc3ccncc3)C[C@H]3CCCO3)on2)c1 ZINC000279251130 1435477455 /nfs/dbraw/zinc/47/74/55/1435477455.db2.gz PKQQWCLQERZHLM-LJQANCHMSA-N 0 0 388.427 3.430 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000279258524 1435478322 /nfs/dbraw/zinc/47/83/22/1435478322.db2.gz HWIOOMUZEUZHKX-MRXNPFEDSA-N 0 0 395.425 3.324 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)[C@H](CCS(C)(=O)=O)c1ccccc1 ZINC000279259635 1435478603 /nfs/dbraw/zinc/47/86/03/1435478603.db2.gz JDQDXCMYJVGKAP-QGZVFWFLSA-N 0 0 386.473 3.114 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](CCS(C)(=O)=O)c1ccccc1 ZINC000279260861 1435478606 /nfs/dbraw/zinc/47/86/06/1435478606.db2.gz JHKSFDKQWXXERD-OAQYLSRUSA-N 0 0 396.512 3.291 20 30 GGEDRN C[C@@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1cccc(N2CCCC2=O)c1 ZINC000279259878 1435478607 /nfs/dbraw/zinc/47/86/07/1435478607.db2.gz HZBCGWHLUNIMDO-UZLBHIALSA-N 0 0 386.455 3.245 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)NCc2c(C)nn(-c3ccccc3)c2C)n1 ZINC000279267050 1435479538 /nfs/dbraw/zinc/47/95/38/1435479538.db2.gz RGCWOJFJZKRYLF-UHFFFAOYSA-N 0 0 390.491 3.051 20 30 GGEDRN C=CCOCCCC(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000279278100 1435480701 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C#CCn1ccc(CN(CC)C(=O)N[C@H](Cc2ccccc2OC)C(C)C)n1 ZINC000279340275 1435488388 /nfs/dbraw/zinc/48/83/88/1435488388.db2.gz BUALGJWZNRAWCW-HXUWFJFHSA-N 0 0 382.508 3.324 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)N[C@@H](c2ccco2)c2ccccc2OC)n1 ZINC000279354630 1435490395 /nfs/dbraw/zinc/49/03/95/1435490395.db2.gz CWEAPIQMFCUJDP-OAQYLSRUSA-N 0 0 392.459 3.439 20 30 GGEDRN CC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)sc2C1 ZINC000279361013 1435491124 /nfs/dbraw/zinc/49/11/24/1435491124.db2.gz HKKGGZCPKPMMEG-ZDUSSCGKSA-N 0 0 388.537 3.385 20 30 GGEDRN CNC(=O)CC1S/C(=N/c2cc(C)cc(C)c2)N(C[C@@H]2CCSC2)C1=O ZINC000279362567 1435491282 /nfs/dbraw/zinc/49/12/82/1435491282.db2.gz GFTBHSKFPWALAS-QBHSARBISA-N 0 0 391.562 3.124 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000279363559 1435491340 /nfs/dbraw/zinc/49/13/40/1435491340.db2.gz VTOKTHZSNZBSJT-RHSMWYFYSA-N 0 0 383.410 3.497 20 30 GGEDRN Cc1c(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cccc1C(=O)N1CCCC1 ZINC000279365163 1435491421 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COC(=O)[C@H](C)Cc1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279848376 1435551306 /nfs/dbraw/zinc/55/13/06/1435551306.db2.gz ARIBOOKTKQLKAR-BEFAXECRSA-N 0 0 375.428 3.231 20 30 GGEDRN COC(=O)c1nc([C@@H]2CCCN2C(=O)NCc2cccc(C#N)c2)sc1C ZINC000279870728 1435555700 /nfs/dbraw/zinc/55/57/00/1435555700.db2.gz HNHNSVCYSIBPRU-HNNXBMFYSA-N 0 0 384.461 3.157 20 30 GGEDRN CC1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3CC#N)cc2)CC1 ZINC000279878066 1435556967 /nfs/dbraw/zinc/55/69/67/1435556967.db2.gz HCHWLQKRYMKKFS-UHFFFAOYSA-N 0 0 397.500 3.426 20 30 GGEDRN C[C@]1(C(N)=O)CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000279881412 1435557238 /nfs/dbraw/zinc/55/72/38/1435557238.db2.gz BHPAMNOGZDMKBJ-NRFANRHFSA-N 0 0 379.485 3.188 20 30 GGEDRN COCCN(Cc1cccc(C(F)F)c1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000279884921 1435558205 /nfs/dbraw/zinc/55/82/05/1435558205.db2.gz NSSOAVXQGIKVTM-UHFFFAOYSA-N 0 0 380.416 3.333 20 30 GGEDRN N#Cc1cccc(-c2cc(C(=O)N3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)on2)c1 ZINC000279890567 1435558633 /nfs/dbraw/zinc/55/86/33/1435558633.db2.gz ZCJPHWZIQAAUKP-MRXNPFEDSA-N 0 0 388.431 3.229 20 30 GGEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CSCCC(F)(F)F)CC1 ZINC000279892050 1435558647 /nfs/dbraw/zinc/55/86/47/1435558647.db2.gz IFFNEGVEVGGXKX-HNNXBMFYSA-N 0 0 389.418 3.220 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3cc(-c4nnco4)ccc3C)CC2)o1 ZINC000279890558 1435558652 /nfs/dbraw/zinc/55/86/52/1435558652.db2.gz KTTNEINFIRDFSF-UHFFFAOYSA-N 0 0 392.419 3.068 20 30 GGEDRN C=CCc1cc(C(=O)Nc2ccc(OCC(=O)NC)cc2C)cc(OC)c1OC ZINC000279893752 1435559179 /nfs/dbraw/zinc/55/91/79/1435559179.db2.gz IJENILBCFRPNSN-UHFFFAOYSA-N 0 0 398.459 3.118 20 30 GGEDRN N#CCc1ccccc1S(=O)(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000279898990 1435559840 /nfs/dbraw/zinc/55/98/40/1435559840.db2.gz ISYHSYHWHRVMTJ-RTBURBONSA-N 0 0 386.473 3.236 20 30 GGEDRN C[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@]2(CCOC2)O1 ZINC000279898848 1435559958 /nfs/dbraw/zinc/55/99/58/1435559958.db2.gz ATIMULYEYADJGD-HXOBKFHXSA-N 0 0 392.455 3.157 20 30 GGEDRN N#Cc1ccc(C[C@H](C#N)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc1 ZINC000279905251 1435560525 /nfs/dbraw/zinc/56/05/25/1435560525.db2.gz DRNBKHRPGLMSQU-IAGOWNOFSA-N 0 0 396.853 3.428 20 30 GGEDRN CCCCCCCCOCC(=O)Nc1cccc(N2C(=O)CNC2=O)c1C ZINC000279903463 1435560609 /nfs/dbraw/zinc/56/06/09/1435560609.db2.gz FQPNMUYJGRTZIH-UHFFFAOYSA-N 0 0 375.469 3.367 20 30 GGEDRN N#Cc1ccc(C[C@H](C#N)C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc1 ZINC000279905257 1435560761 /nfs/dbraw/zinc/56/07/61/1435560761.db2.gz DRNBKHRPGLMSQU-SJORKVTESA-N 0 0 396.853 3.428 20 30 GGEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)NCCc2ccccc2OC(F)(F)F)cc1 ZINC000279908105 1435561248 /nfs/dbraw/zinc/56/12/48/1435561248.db2.gz DWAHCZKHUODSNL-KRWDZBQOSA-N 0 0 387.361 3.498 20 30 GGEDRN CSC1(CNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CCC1 ZINC000279909634 1435561811 /nfs/dbraw/zinc/56/18/11/1435561811.db2.gz FFAUXGJDIDVJQA-UHFFFAOYSA-N 0 0 386.521 3.204 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(CC#N)n1C ZINC000279917809 1435562702 /nfs/dbraw/zinc/56/27/02/1435562702.db2.gz KKNSJWKKUTWVQT-GFCCVEGCSA-N 0 0 386.506 3.006 20 30 GGEDRN C[C@H](Sc1nnc(CC#N)n1C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000279931160 1435565527 /nfs/dbraw/zinc/56/55/27/1435565527.db2.gz LLEWAZXLLFEJOQ-KBPBESRZSA-N 0 0 383.521 3.118 20 30 GGEDRN COC(=O)[C@H](Cc1ccc(C)cc1)SCC(=O)NCc1ccc(C#N)cc1 ZINC000279933485 1435565723 /nfs/dbraw/zinc/56/57/23/1435565723.db2.gz LRJIPWLTRRATNP-IBGZPJMESA-N 0 0 382.485 3.000 20 30 GGEDRN CC(C)(C)OC(=O)C1CCC(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279939692 1435566414 /nfs/dbraw/zinc/56/64/14/1435566414.db2.gz GEGYBKYATUUHTO-JLAWEPINSA-N 0 0 381.476 3.257 20 30 GGEDRN Cc1cccc(CC2(O)CCN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC2)c1 ZINC000279943617 1435567343 /nfs/dbraw/zinc/56/73/43/1435567343.db2.gz HUIKAEFEKXFVDZ-GOSISDBHSA-N 0 0 378.472 3.230 20 30 GGEDRN Cn1c(CC#N)nnc1SCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000279944787 1435567715 /nfs/dbraw/zinc/56/77/15/1435567715.db2.gz MRJNDDHAOKMBBS-SFHVURJKSA-N 0 0 387.484 3.160 20 30 GGEDRN CCC[C@@]12CCCN1C(=O)N(C1CCC(Oc3ccc(C#N)cn3)CC1)C2=O ZINC000279947288 1435567736 /nfs/dbraw/zinc/56/77/36/1435567736.db2.gz SIWBKFLLTLJOSL-BPZDKFOGSA-N 0 0 382.464 3.240 20 30 GGEDRN CCC[C@]12CCCN1C(=O)N(C1CCC(Oc3ccc(C#N)cn3)CC1)C2=O ZINC000279947292 1435567777 /nfs/dbraw/zinc/56/77/77/1435567777.db2.gz SIWBKFLLTLJOSL-MYKUNDNFSA-N 0 0 382.464 3.240 20 30 GGEDRN CCOCCOCc1cccc(NS(=O)(=O)c2ccccc2CC#N)c1C ZINC000279951411 1435568384 /nfs/dbraw/zinc/56/83/84/1435568384.db2.gz NEJGLKFLQNDUMF-UHFFFAOYSA-N 0 0 388.489 3.415 20 30 GGEDRN C[C@@H]1OCC[C@@]12CN(C(=O)Nc1cccc(C#Cc3ccccn3)c1)C[C@@H](C)O2 ZINC000279951519 1435568396 /nfs/dbraw/zinc/56/83/96/1435568396.db2.gz JUBYWYOVGLKLSH-IEGUWTFLSA-N 0 0 391.471 3.282 20 30 GGEDRN C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000279958992 1435569701 /nfs/dbraw/zinc/56/97/01/1435569701.db2.gz PHBXUKMLRPPYRL-HNNXBMFYSA-N 0 0 399.516 3.229 20 30 GGEDRN C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000279958995 1435569708 /nfs/dbraw/zinc/56/97/08/1435569708.db2.gz PHBXUKMLRPPYRL-OAHLLOKOSA-N 0 0 399.516 3.229 20 30 GGEDRN N#CCc1ccccc1S(=O)(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000279959905 1435569845 /nfs/dbraw/zinc/56/98/45/1435569845.db2.gz NVPJXALCISYRLK-UHFFFAOYSA-N 0 0 383.473 3.226 20 30 GGEDRN Cc1cc(C(=O)NCC(C)C)ccc1NS(=O)(=O)c1ccccc1CC#N ZINC000279969396 1435570903 /nfs/dbraw/zinc/57/09/03/1435570903.db2.gz ORXKLTYEJMMOQQ-UHFFFAOYSA-N 0 0 385.489 3.248 20 30 GGEDRN Cc1ccc(NS(=O)(=O)c2ccccc2CC#N)cc1C(=O)N(C)C(C)C ZINC000279971370 1435570978 /nfs/dbraw/zinc/57/09/78/1435570978.db2.gz OZEWOWCZIRPXPJ-UHFFFAOYSA-N 0 0 385.489 3.342 20 30 GGEDRN CC(C)(C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1CCOCC1 ZINC000279974393 1435571304 /nfs/dbraw/zinc/57/13/04/1435571304.db2.gz DPXMIUOKRIRGEE-UHFFFAOYSA-N 0 0 383.492 3.188 20 30 GGEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000279977922 1435571724 /nfs/dbraw/zinc/57/17/24/1435571724.db2.gz HYFRASWYEJFCHP-MWXLCCTBSA-N 0 0 399.454 3.014 20 30 GGEDRN CCCNC(=O)C1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 ZINC000279981943 1435572048 /nfs/dbraw/zinc/57/20/48/1435572048.db2.gz FNUZAXGGNOYYOQ-UHFFFAOYSA-N 0 0 379.508 3.227 20 30 GGEDRN COc1ccccc1N1CC[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C1=O ZINC000279989164 1435573031 /nfs/dbraw/zinc/57/30/31/1435573031.db2.gz RHSSUWYMLOVFFM-QGZVFWFLSA-N 0 0 377.444 3.032 20 30 GGEDRN COc1ccc(-n2c(C)nnc2SCC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000279998828 1435574475 /nfs/dbraw/zinc/57/44/75/1435574475.db2.gz RWFVJEPTMGOFCQ-UHFFFAOYSA-N 0 0 399.520 3.361 20 30 GGEDRN CC(C)(C#N)c1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000280001022 1435574782 /nfs/dbraw/zinc/57/47/82/1435574782.db2.gz SSOYSAHAFOFVEN-UHFFFAOYSA-N 0 0 377.444 3.212 20 30 GGEDRN CC(C)(C#N)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 ZINC000280005625 1435575508 /nfs/dbraw/zinc/57/55/08/1435575508.db2.gz SCLOAGPNIYMOOE-UHFFFAOYSA-N 0 0 377.444 3.212 20 30 GGEDRN COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3ccccc3O[C@H](C)C#N)C2)c1 ZINC000280009737 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380.448 3.275 20 30 GGEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cc1 ZINC000280039359 1435581220 /nfs/dbraw/zinc/58/12/20/1435581220.db2.gz LLYKZFVVMBFNEX-PKOBYXMFSA-N 0 0 378.863 3.289 20 30 GGEDRN C[C@@H](Sc1nnc(CC#N)n1C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000280052414 1435583746 /nfs/dbraw/zinc/58/37/46/1435583746.db2.gz YGXVANXOLSHODW-UONOGXRCSA-N 0 0 379.489 3.392 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000280083459 1435588737 /nfs/dbraw/zinc/58/87/37/1435588737.db2.gz RLIWSJMKNRHHPP-QUCCMNQESA-N 0 0 384.455 3.107 20 30 GGEDRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(C3CC3)cnc2Cl)[C@H](C#N)C1 ZINC000280080787 1435589005 /nfs/dbraw/zinc/58/90/05/1435589005.db2.gz YCSKSULXGZSVCZ-CQSZACIVSA-N 0 0 390.871 3.197 20 30 GGEDRN CC(C)(C#N)c1ccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000280088634 1435590166 /nfs/dbraw/zinc/59/01/66/1435590166.db2.gz YTAASAVWJGFMTD-RTWAWAEBSA-N 0 0 378.472 3.452 20 30 GGEDRN 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Cc1cc(C)n2nc(SCc3ccccc3C(=O)N3CC(C)(C#N)C3)nc2n1 ZINC000281692183 1435818450 /nfs/dbraw/zinc/81/84/50/1435818450.db2.gz GNMGHZPWXMYONL-UHFFFAOYSA-N 0 0 392.488 3.019 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000281697815 1435818774 /nfs/dbraw/zinc/81/87/74/1435818774.db2.gz CGJQLEJXTBDZOT-XJKSGUPXSA-N 0 0 386.418 3.230 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000281701779 1435818880 /nfs/dbraw/zinc/81/88/80/1435818880.db2.gz IGPDBGJMLRRZBM-XLIONFOSSA-N 0 0 385.508 3.103 20 30 GGEDRN Cc1ccccc1Cc1noc(C[S@@](=O)CCCC2(C#N)CCOCC2)n1 ZINC000281708396 1435819080 /nfs/dbraw/zinc/81/90/80/1435819080.db2.gz BKGPMAJUNQCFQQ-MHZLTWQESA-N 0 0 387.505 3.318 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000281719517 1435819450 /nfs/dbraw/zinc/81/94/50/1435819450.db2.gz JHTMMHLXGUAKFE-QMTHXVAHSA-N 0 0 390.789 3.395 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000281719519 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0 0 389.471 3.167 20 30 GGEDRN C[C@@H](CCc1ccco1)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000281759494 1435821035 /nfs/dbraw/zinc/82/10/35/1435821035.db2.gz AMGZSJXAQMAVDN-NSHDSACASA-N 0 0 395.337 3.126 20 30 GGEDRN Cc1ccc(-n2ccnc2S(=O)(=O)CCCC2(C#N)CCOCC2)cc1C ZINC000281770912 1435821428 /nfs/dbraw/zinc/82/14/28/1435821428.db2.gz GERZLAFYTKQULW-UHFFFAOYSA-N 0 0 387.505 3.363 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC1(c2ccc(OC)cc2)CCOCC1 ZINC000281779800 1435821721 /nfs/dbraw/zinc/82/17/21/1435821721.db2.gz MKUCAWQJTRWFMS-XLIONFOSSA-N 0 0 388.508 3.024 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccccc1N1CCCCCC1 ZINC000281784586 1435821872 /nfs/dbraw/zinc/82/18/72/1435821872.db2.gz MSNMZAPUFNISCM-FXAWDEMLSA-N 0 0 385.508 3.103 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccnc1-c1ccc(C)s1 ZINC000281787645 1435822062 /nfs/dbraw/zinc/82/20/62/1435822062.db2.gz MWNNPWJTXRACBR-KBXCAEBGSA-N 0 0 385.489 3.154 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000281801266 1435822663 /nfs/dbraw/zinc/82/26/63/1435822663.db2.gz MRWNILTWGKGXAE-ICSRJNTNSA-N 0 0 394.475 3.114 20 30 GGEDRN COc1cccc(NC(=O)CSc2ccccc2C(=O)N2CC(C)(C#N)C2)c1 ZINC000281805464 1435822704 /nfs/dbraw/zinc/82/27/04/1435822704.db2.gz NBEVWMBUKRKUOU-UHFFFAOYSA-N 0 0 395.484 3.412 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000281811133 1435822825 /nfs/dbraw/zinc/82/28/25/1435822825.db2.gz OMQBUWSZPIYBOL-CXAGYDPISA-N 0 0 387.505 3.456 20 30 GGEDRN C[C@@H](C#N)CN(C)S(=O)(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000281835984 1435823681 /nfs/dbraw/zinc/82/36/81/1435823681.db2.gz WCGJAEZRIILBDD-INIZCTEOSA-N 0 0 384.505 3.049 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000281837055 1435823713 /nfs/dbraw/zinc/82/37/13/1435823713.db2.gz QFUDWWXTLJKZPA-SUMWQHHRSA-N 0 0 385.464 3.161 20 30 GGEDRN CC(C)N(Cc1ccco1)C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000281838816 1435823807 /nfs/dbraw/zinc/82/38/07/1435823807.db2.gz FORATIGZSYIWNG-UHFFFAOYSA-N 0 0 395.337 3.426 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000281841946 1435823900 /nfs/dbraw/zinc/82/39/00/1435823900.db2.gz QPWLYBYGGQMABG-QAPCUYQASA-N 0 0 385.489 3.154 20 30 GGEDRN N#CC1(CCC[S@@](=O)Cc2ccn(-c3c(F)cccc3F)n2)CCOCC1 ZINC000281873465 1435824976 /nfs/dbraw/zinc/82/49/76/1435824976.db2.gz NSGKBFJSJMDGLK-HHHXNRCGSA-N 0 0 393.459 3.500 20 30 GGEDRN CO[C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@@H](C)C1 ZINC000281874867 1435825105 /nfs/dbraw/zinc/82/51/05/1435825105.db2.gz HKLFNXMWZJYKDB-KXBFYZLASA-N 0 0 393.443 3.315 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000281877392 1435825171 /nfs/dbraw/zinc/82/51/71/1435825171.db2.gz SYYHIDQXLMWBTO-DYVFJYSZSA-N 0 0 380.872 3.163 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000281881839 1435825285 /nfs/dbraw/zinc/82/52/85/1435825285.db2.gz UADVAPURWAHIBG-CXAGYDPISA-N 0 0 385.489 3.210 20 30 GGEDRN CC1(C)CCc2ccccc2[C@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000281891080 1435825626 /nfs/dbraw/zinc/82/56/26/1435825626.db2.gz YFYFUEUIJYACHK-QBEKEKFNSA-N 0 0 381.476 3.123 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1sc(-c2ccccc2)nc1C ZINC000281897144 1435825855 /nfs/dbraw/zinc/82/58/55/1435825855.db2.gz UUBVAOZDXDNTCS-CVEARBPZSA-N 0 0 385.489 3.154 20 30 GGEDRN N#CC1CCC(CNC(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)CC1 ZINC000281914521 1435826545 /nfs/dbraw/zinc/82/65/45/1435826545.db2.gz IZXZNSOXEKQMSM-CTWPCTMYSA-N 0 0 397.523 3.174 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000281934438 1435827441 /nfs/dbraw/zinc/82/74/41/1435827441.db2.gz WVHPBPXDBIRJPC-GDBMZVCRSA-N 0 0 392.546 3.201 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000281934445 1435827448 /nfs/dbraw/zinc/82/74/48/1435827448.db2.gz WVHPBPXDBIRJPC-HOCLYGCPSA-N 0 0 392.546 3.201 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N[C@H]2CCCc3occc32)ccc1OC(F)(F)F ZINC000281934741 1435827483 /nfs/dbraw/zinc/82/74/83/1435827483.db2.gz KFLVRUPYTUIXPO-ZDUSSCGKSA-N 0 0 393.321 3.182 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000281934441 1435827497 /nfs/dbraw/zinc/82/74/97/1435827497.db2.gz WVHPBPXDBIRJPC-GOEBONIOSA-N 0 0 392.546 3.201 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000281947251 1435828036 /nfs/dbraw/zinc/82/80/36/1435828036.db2.gz XROQVDFRRULOON-QFBILLFUSA-N 0 0 376.472 3.154 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000281949496 1435828167 /nfs/dbraw/zinc/82/81/67/1435828167.db2.gz XTKSSOMLEGOJLI-ZBFHGGJFSA-N 0 0 384.398 3.217 20 30 GGEDRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000281969287 1435828894 /nfs/dbraw/zinc/82/88/94/1435828894.db2.gz NSQFMCVKANSJFT-FQEVSTJZSA-N 0 0 392.459 3.140 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000281975696 1435829328 /nfs/dbraw/zinc/82/93/28/1435829328.db2.gz ZPIJLFNOHXKTPE-NHYWBVRUSA-N 0 0 391.518 3.054 20 30 GGEDRN Cc1cc(C)cc(-n2ccnc2S(=O)(=O)CCCC2(C#N)CCOCC2)c1 ZINC000281984610 1435829704 /nfs/dbraw/zinc/82/97/04/1435829704.db2.gz VZIAZVXFRZDJTD-UHFFFAOYSA-N 0 0 387.505 3.363 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C ZINC000281985935 1435829861 /nfs/dbraw/zinc/82/98/61/1435829861.db2.gz PEZLHQQWPGIIIV-HXUWFJFHSA-N 0 0 397.475 3.460 20 30 GGEDRN Cc1noc(C)c1C(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000281992584 1435830096 /nfs/dbraw/zinc/83/00/96/1435830096.db2.gz NNPWGFNSAXCZII-UHFFFAOYSA-N 0 0 394.475 3.318 20 30 GGEDRN CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)c2)CC1 ZINC000281992147 1435830105 /nfs/dbraw/zinc/83/01/05/1435830105.db2.gz VSHDUVUZUXBVGD-UHFFFAOYSA-N 0 0 390.487 3.409 20 30 GGEDRN CO[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000282011795 1435830895 /nfs/dbraw/zinc/83/08/95/1435830895.db2.gz NXTQXQPKZCBQJZ-HNAYVOBHSA-N 0 0 393.443 3.315 20 30 GGEDRN CCSCC[C@H](C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000282013887 1435830939 /nfs/dbraw/zinc/83/09/39/1435830939.db2.gz OCAIPRCWIYULQF-JTQLQIEISA-N 0 0 389.399 3.043 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc2[nH]ccc2c1 ZINC000282013821 1435830943 /nfs/dbraw/zinc/83/09/43/1435830943.db2.gz ROMRRLOIZGYNHX-UHFFFAOYSA-N 0 0 376.460 3.440 20 30 GGEDRN CSc1ccc([C@H](C)NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 ZINC000282042590 1435832313 /nfs/dbraw/zinc/83/23/13/1435832313.db2.gz AJVPALSJBBVYQO-GJZGRUSLSA-N 0 0 396.520 3.051 20 30 GGEDRN CSc1ccc([C@@H](C)NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 ZINC000282042620 1435832366 /nfs/dbraw/zinc/83/23/66/1435832366.db2.gz AJVPALSJBBVYQO-LSDHHAIUSA-N 0 0 396.520 3.051 20 30 GGEDRN CSc1ccccc1[C@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000282087081 1435834080 /nfs/dbraw/zinc/83/40/80/1435834080.db2.gz DIZRWZWNLJXRRD-GJZGRUSLSA-N 0 0 396.520 3.051 20 30 GGEDRN N#Cc1cccc(-n2ccc(C(=O)O[C@H]([C@H]3CCCOC3)C(F)(F)F)n2)c1 ZINC000282110886 1435835117 /nfs/dbraw/zinc/83/51/17/1435835117.db2.gz DWNWMFMXZLHVNU-XJKSGUPXSA-N 0 0 379.338 3.258 20 30 GGEDRN COc1cc(/C=C/C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)ccc1OCC#N ZINC000282112570 1435835126 /nfs/dbraw/zinc/83/51/26/1435835126.db2.gz OPHDIAKVPBTPIH-MKKXOAKOSA-N 0 0 384.476 3.153 20 30 GGEDRN N#CCCN(C(=O)CCC(=O)N[C@H]1CCCC12CCOCC2)c1ccccc1 ZINC000282114305 1435835161 /nfs/dbraw/zinc/83/51/61/1435835161.db2.gz UHGPDXYENONJTI-IBGZPJMESA-N 0 0 383.492 3.179 20 30 GGEDRN CCSCCCNC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C ZINC000282113468 1435835228 /nfs/dbraw/zinc/83/52/28/1435835228.db2.gz KYWZIYNMDVXPTO-UHFFFAOYSA-N 0 0 398.488 3.252 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC(F)(F)C2)c1 ZINC000282118017 1435835347 /nfs/dbraw/zinc/83/53/47/1435835347.db2.gz LIUZXGRVBOTFQS-CQSZACIVSA-N 0 0 379.407 3.249 20 30 GGEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1([S@@](C)=O)CC1 ZINC000282125231 1435835604 /nfs/dbraw/zinc/83/56/04/1435835604.db2.gz GRIXZHHTACOCGH-MUUNZHRXSA-N 0 0 397.500 3.478 20 30 GGEDRN CO[C@H]1CCN(C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@@H](C)C1 ZINC000282130249 1435835835 /nfs/dbraw/zinc/83/58/35/1435835835.db2.gz UTZOLWWPFSGCJQ-KXBFYZLASA-N 0 0 393.443 3.315 20 30 GGEDRN C=CCn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000282133891 1435835921 /nfs/dbraw/zinc/83/59/21/1435835921.db2.gz AXCPUFCYGONAIT-QVKFZJNVSA-N 0 0 380.448 3.262 20 30 GGEDRN C=CCn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000282133902 1435835927 /nfs/dbraw/zinc/83/59/27/1435835927.db2.gz AXCPUFCYGONAIT-YCRPNKLZSA-N 0 0 380.448 3.262 20 30 GGEDRN C=CCn1c(-c2ccc(C)s2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000282149690 1435836431 /nfs/dbraw/zinc/83/64/31/1435836431.db2.gz BZNMACXOTWGBBD-INIZCTEOSA-N 0 0 384.509 3.295 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC000282151415 1435836509 /nfs/dbraw/zinc/83/65/09/1435836509.db2.gz CCLPGGTUZAFCGZ-CQSZACIVSA-N 0 0 385.859 3.255 20 30 GGEDRN CSc1ccccc1[C@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000282158141 1435836800 /nfs/dbraw/zinc/83/68/00/1435836800.db2.gz ITXYYGRQOSQKMZ-AWEZNQCLSA-N 0 0 388.514 3.072 20 30 GGEDRN C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC(C(=O)OC)CC1 ZINC000282161403 1435836886 /nfs/dbraw/zinc/83/68/86/1435836886.db2.gz CXVIKKJJCVQUML-UHFFFAOYSA-N 0 0 384.480 3.049 20 30 GGEDRN C=CCn1c(COc2ccccc2OC)nnc1N(C)CCc1nccs1 ZINC000282164996 1435837025 /nfs/dbraw/zinc/83/70/25/1435837025.db2.gz DGXXQFNMLXFMLE-UHFFFAOYSA-N 0 0 385.493 3.187 20 30 GGEDRN C=CCn1c(Cc2cccc3ccccc32)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC000282170292 1435837144 /nfs/dbraw/zinc/83/71/44/1435837144.db2.gz DPKHXAOPDWWDKF-HSZRJFAPSA-N 0 0 389.503 3.171 20 30 GGEDRN C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC000282174008 1435837368 /nfs/dbraw/zinc/83/73/68/1435837368.db2.gz DXMVNJJWTCAJMV-PXNSSMCTSA-N 0 0 396.491 3.372 20 30 GGEDRN C=CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000282174193 1435837398 /nfs/dbraw/zinc/83/73/98/1435837398.db2.gz DZEYRXVGTRYROY-NPPFBWRTSA-N 0 0 398.507 3.124 20 30 GGEDRN C=CCn1c(CC(C)C)nnc1N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000282179572 1435837497 /nfs/dbraw/zinc/83/74/97/1435837497.db2.gz FJKRBMSMLSSYHP-UHFFFAOYSA-N 0 0 392.507 3.389 20 30 GGEDRN C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](COCCOC)C1 ZINC000282179627 1435837499 /nfs/dbraw/zinc/83/74/99/1435837499.db2.gz FJTPSUHRKKTDDS-MRXNPFEDSA-N 0 0 381.480 3.102 20 30 GGEDRN C=CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC000282181491 1435837586 /nfs/dbraw/zinc/83/75/86/1435837586.db2.gz FMVLDHYPVJBPRK-SJLPKXTDSA-N 0 0 382.512 3.047 20 30 GGEDRN C=CCn1c(CCCc2ccccc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC000282181589 1435837622 /nfs/dbraw/zinc/83/76/22/1435837622.db2.gz FOBBPTJJKNOOLN-UHFFFAOYSA-N 0 0 395.551 3.334 20 30 GGEDRN C=CCn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](c2ccccc2OC)C1 ZINC000282181522 1435837625 /nfs/dbraw/zinc/83/76/25/1435837625.db2.gz FMYGDAFLOFMTOV-IAGOWNOFSA-N 0 0 386.496 3.191 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CCC(N)=O)CC1 ZINC000282183239 1435837675 /nfs/dbraw/zinc/83/76/75/1435837675.db2.gz FOZGTIZNLDCQRH-UHFFFAOYSA-N 0 0 391.878 3.406 20 30 GGEDRN CO[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)[C@@H](C)C1 ZINC000282186408 1435837728 /nfs/dbraw/zinc/83/77/28/1435837728.db2.gz YBSKGEQGJMFSKX-SOUVJXGZSA-N 0 0 375.494 3.045 20 30 GGEDRN C=CCn1c(Cc2ccccn2)nnc1N1CC[C@H](COCc2ccccc2)C1 ZINC000282190713 1435837802 /nfs/dbraw/zinc/83/78/02/1435837802.db2.gz GEQHBNNDMFHBJE-FQEVSTJZSA-N 0 0 389.503 3.493 20 30 GGEDRN N#CCOc1ccc(CNC(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)cc1 ZINC000282189100 1435837822 /nfs/dbraw/zinc/83/78/22/1435837822.db2.gz MGLCBSKZCVUFFS-NRFANRHFSA-N 0 0 399.878 3.443 20 30 GGEDRN N#CCOc1ccc(CNC(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1 ZINC000282189106 1435837854 /nfs/dbraw/zinc/83/78/54/1435837854.db2.gz MGLCBSKZCVUFFS-OAQYLSRUSA-N 0 0 399.878 3.443 20 30 GGEDRN C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](COC)C1 ZINC000282194529 1435837926 /nfs/dbraw/zinc/83/79/26/1435837926.db2.gz GOPQGRAFICHABW-MRXNPFEDSA-N 0 0 386.496 3.401 20 30 GGEDRN C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC000282192725 1435837994 /nfs/dbraw/zinc/83/79/94/1435837994.db2.gz GKMSQGIHPNWXID-OAHLLOKOSA-N 0 0 380.452 3.215 20 30 GGEDRN C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)OCC)CC1 ZINC000282196658 1435838094 /nfs/dbraw/zinc/83/80/94/1435838094.db2.gz GSXWHNSFPIVANQ-UHFFFAOYSA-N 0 0 398.507 3.037 20 30 GGEDRN C=CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000282202135 1435838130 /nfs/dbraw/zinc/83/81/30/1435838130.db2.gz HEAAKXJRVJVMJY-GOSISDBHSA-N 0 0 398.507 3.126 20 30 GGEDRN C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC000282200199 1435838135 /nfs/dbraw/zinc/83/81/35/1435838135.db2.gz GZCLHZSZGXOTSZ-YCRPNKLZSA-N 0 0 380.448 3.262 20 30 GGEDRN C=CCn1c(-c2ccccn2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000282202083 1435838164 /nfs/dbraw/zinc/83/81/64/1435838164.db2.gz HCVXZGNIWWCSPF-CVEARBPZSA-N 0 0 398.511 3.266 20 30 GGEDRN C=CCn1c(CCCc2ccccc2)nnc1N1CC[C@H](COCCOC)C1 ZINC000282202174 1435838171 /nfs/dbraw/zinc/83/81/71/1435838171.db2.gz HELMIXPVDCLFMD-FQEVSTJZSA-N 0 0 384.524 3.129 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)NC(C)(C)COCc3ccccc3)CC2)o1 ZINC000282202211 1435838182 /nfs/dbraw/zinc/83/81/82/1435838182.db2.gz SUXOFPCNODQWFQ-UHFFFAOYSA-N 0 0 396.491 3.183 20 30 GGEDRN CCC(=O)N[C@H](CCSC)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000282200687 1435838195 /nfs/dbraw/zinc/83/81/95/1435838195.db2.gz OQJSZEFJUZWVMU-GFCCVEGCSA-N 0 0 389.399 3.043 20 30 GGEDRN C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccc(CC)cc2)CC1 ZINC000282209435 1435838514 /nfs/dbraw/zinc/83/85/14/1435838514.db2.gz HQRXATNIYMEYAX-SFHVURJKSA-N 0 0 399.539 3.077 20 30 GGEDRN N#Cc1cccc(OC2CCN(C(=O)c3ccc(NCC4CC4)nc3)CC2)c1 ZINC000282212496 1435838681 /nfs/dbraw/zinc/83/86/81/1435838681.db2.gz OCLGFOSELQVMCI-UHFFFAOYSA-N 0 0 376.460 3.459 20 30 GGEDRN C=CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000282220791 1435838947 /nfs/dbraw/zinc/83/89/47/1435838947.db2.gz IPSKBJFVGNBNJW-OAHLLOKOSA-N 0 0 399.495 3.243 20 30 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GGEDRN C=CCn1c(-c2ccccn2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000282745838 1435858858 /nfs/dbraw/zinc/85/88/58/1435858858.db2.gz YKITUDHAIBGTQE-OAHLLOKOSA-N 0 0 394.445 3.237 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC000282754360 1435859198 /nfs/dbraw/zinc/85/91/98/1435859198.db2.gz ZBPCFLFPFOTQQI-SFHVURJKSA-N 0 0 395.290 3.434 20 30 GGEDRN CC(=O)NCCN(Cc1ccsc1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000282757214 1435859329 /nfs/dbraw/zinc/85/93/29/1435859329.db2.gz NAOYNQKIVZKJIC-IBGZPJMESA-N 0 0 384.505 3.441 20 30 GGEDRN CC(C)(C)OC(=O)N1CCN(C(=O)CSCC#N)[C@@H](c2cccc(F)c2)C1 ZINC000282764056 1435859402 /nfs/dbraw/zinc/85/94/02/1435859402.db2.gz UJFXVOJMZFKXAQ-MRXNPFEDSA-N 0 0 393.484 3.203 20 30 GGEDRN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCOCc1ccccc1 ZINC000282765668 1435859486 /nfs/dbraw/zinc/85/94/86/1435859486.db2.gz CQLDWBRIFZCXIL-UHFFFAOYSA-N 0 0 397.523 3.133 20 30 GGEDRN CCc1ccc([C@@H]2COCCN2C(=O)c2ccn(-c3cccc(C#N)c3)n2)o1 ZINC000282768478 1435859699 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20 30 GGEDRN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC000282818230 1435861543 /nfs/dbraw/zinc/86/15/43/1435861543.db2.gz IQDCIMVYAIWAPU-UHFFFAOYSA-N 0 0 399.514 3.279 20 30 GGEDRN CCOCCCn1c(-c2cccc3ccccc32)nnc1N1CCO[C@@H](C#N)C1 ZINC000282824198 1435861863 /nfs/dbraw/zinc/86/18/63/1435861863.db2.gz PPSGTQIFXQXBNW-SFHVURJKSA-N 0 0 391.475 3.254 20 30 GGEDRN CCOC(=O)CCOc1ccc(C(=O)/C=C/c2ccnn2CCCOC)cc1 ZINC000282845244 1435862679 /nfs/dbraw/zinc/86/26/79/1435862679.db2.gz AWXSJNIYLMEGJJ-JXMROGBWSA-N 0 0 386.448 3.148 20 30 GGEDRN CN(Cc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 ZINC000282863039 1435863631 /nfs/dbraw/zinc/86/36/31/1435863631.db2.gz BOCWAOZRCGPDIT-FQEVSTJZSA-N 0 0 388.475 3.417 20 30 GGEDRN COCCCn1nccc1/C=C/C(=O)c1ccc(OCc2nccn2C)cc1 ZINC000282866424 1435863644 /nfs/dbraw/zinc/86/36/44/1435863644.db2.gz CJYKFSKJTZLJQS-RMKNXTFCSA-N 0 0 380.448 3.128 20 30 GGEDRN CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccs2)C1 ZINC000282864529 1435863669 /nfs/dbraw/zinc/86/36/69/1435863669.db2.gz CHRQEZFFTZTGBP-KRWDZBQOSA-N 0 0 395.488 3.064 20 30 GGEDRN CCOC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)C1 ZINC000282869097 1435863836 /nfs/dbraw/zinc/86/38/36/1435863836.db2.gz BZCSNSHECDCFGS-RBUKOAKNSA-N 0 0 395.507 3.106 20 30 GGEDRN CCOCCCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC000282878502 1435864361 /nfs/dbraw/zinc/86/43/61/1435864361.db2.gz WJNLHIKRRGJWKO-UHFFFAOYSA-N 0 0 376.464 3.275 20 30 GGEDRN Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CCCCO1 ZINC000282885399 1435864758 /nfs/dbraw/zinc/86/47/58/1435864758.db2.gz CZZZQYKVXAWGLX-HXUWFJFHSA-N 0 0 381.480 3.075 20 30 GGEDRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1ccccc1 ZINC000282894078 1435864921 /nfs/dbraw/zinc/86/49/21/1435864921.db2.gz QUOJCGWIPSZWNB-MSOLQXFVSA-N 0 0 394.475 3.267 20 30 GGEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cscn1 ZINC000282908529 1435865626 /nfs/dbraw/zinc/86/56/26/1435865626.db2.gz ZMFIPAQJAJAVDS-UHFFFAOYSA-N 0 0 382.493 3.336 20 30 GGEDRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)C1 ZINC000282908491 1435865643 /nfs/dbraw/zinc/86/56/43/1435865643.db2.gz FMZLHXPTEZSZIV-AZUAARDMSA-N 0 0 395.507 3.105 20 30 GGEDRN CN(CCOCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 ZINC000282932424 1435866603 /nfs/dbraw/zinc/86/66/03/1435866603.db2.gz GYMNTRYSDNSGRA-FQEVSTJZSA-N 0 0 395.507 3.249 20 30 GGEDRN CCOCCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)C[C@H](C)C#N ZINC000282935403 1435866720 /nfs/dbraw/zinc/86/67/20/1435866720.db2.gz GWFOMGLDRWRIJW-GOSISDBHSA-N 0 0 385.512 3.496 20 30 GGEDRN C#CC[C@@]1(C(=O)N(C)Cc2cnc(C)s2)CCCN1C(=O)OC(C)(C)C ZINC000282953178 1435867464 /nfs/dbraw/zinc/86/74/64/1435867464.db2.gz IAIRZGKNEQDOOD-IBGZPJMESA-N 0 0 377.510 3.203 20 30 GGEDRN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 ZINC000282954428 1435867465 /nfs/dbraw/zinc/86/74/65/1435867465.db2.gz HKENSBNJATWGAC-UHFFFAOYSA-N 0 0 392.507 3.064 20 30 GGEDRN C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N(C)CCc1cnccn1 ZINC000282955380 1435867607 /nfs/dbraw/zinc/86/76/07/1435867607.db2.gz NQLOJEJVDZPQFH-UHFFFAOYSA-N 0 0 378.480 3.211 20 30 GGEDRN Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccs2)c1 ZINC000282966176 1435868034 /nfs/dbraw/zinc/86/80/34/1435868034.db2.gz KVEOJWRBMQXINR-QGZVFWFLSA-N 0 0 395.488 3.004 20 30 GGEDRN N#Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)ccc1OC(F)(F)F ZINC000282965638 1435868052 /nfs/dbraw/zinc/86/80/52/1435868052.db2.gz IXVWNFGBLSXNOB-GFCCVEGCSA-N 0 0 381.354 3.044 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCCOC)CC1 ZINC000282966524 1435868084 /nfs/dbraw/zinc/86/80/84/1435868084.db2.gz OONKVFKTCGGKPA-UHFFFAOYSA-N 0 0 395.507 3.415 20 30 GGEDRN CC(C)(C#N)CC(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000282977847 1435868560 /nfs/dbraw/zinc/86/85/60/1435868560.db2.gz NAJUZVIPZZBOJG-LBPRGKRZSA-N 0 0 379.386 3.394 20 30 GGEDRN C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1ccccn1 ZINC000282982286 1435868760 /nfs/dbraw/zinc/86/87/60/1435868760.db2.gz PRUYBOBIHGGYKV-IBGZPJMESA-N 0 0 377.448 3.398 20 30 GGEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000282982319 1435868833 /nfs/dbraw/zinc/86/88/33/1435868833.db2.gz KLMHZMGHQXCSGJ-SFHVURJKSA-N 0 0 380.492 3.404 20 30 GGEDRN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N(C)CCOc1ccccc1F ZINC000282984997 1435868908 /nfs/dbraw/zinc/86/89/08/1435868908.db2.gz PVMKWNGHDGMGTM-INIZCTEOSA-N 0 0 392.475 3.233 20 30 GGEDRN COc1ccc(C2=NO[C@H](CNC(=O)N(C)Cc3ccc(C#N)cc3)C2)cc1F ZINC000282990676 1435869179 /nfs/dbraw/zinc/86/91/79/1435869179.db2.gz FMVPVWZKCJKAJU-KRWDZBQOSA-N 0 0 396.422 3.041 20 30 GGEDRN C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccs1 ZINC000282999404 1435869680 /nfs/dbraw/zinc/86/96/80/1435869680.db2.gz NEICUVUHOHLSKC-UHFFFAOYSA-N 0 0 395.536 3.184 20 30 GGEDRN CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000283009877 1435870115 /nfs/dbraw/zinc/87/01/15/1435870115.db2.gz LJNNRHNLAFKKJJ-WOJBJXKFSA-N 0 0 395.507 3.391 20 30 GGEDRN COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)C)ccc1OC(C)C ZINC000283011203 1435870243 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C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC000283048786 1435872140 /nfs/dbraw/zinc/87/21/40/1435872140.db2.gz VREMQMDWJBNEDJ-VGOFRKELSA-N 0 0 397.523 3.313 20 30 GGEDRN CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 ZINC000283062535 1435872663 /nfs/dbraw/zinc/87/26/63/1435872663.db2.gz OSTACZKGUFJZRV-GOSISDBHSA-N 0 0 381.480 3.002 20 30 GGEDRN CCCNc1ccc(CNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1 ZINC000283061161 1435872691 /nfs/dbraw/zinc/87/26/91/1435872691.db2.gz QXYKAUFUEWOPFS-UHFFFAOYSA-N 0 0 381.480 3.209 20 30 GGEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](CC)O[C@@H](C)C1 ZINC000283065788 1435872943 /nfs/dbraw/zinc/87/29/43/1435872943.db2.gz RFYPNJHTGQCLQM-QFBILLFUSA-N 0 0 383.496 3.247 20 30 GGEDRN CN(Cc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000283068813 1435873023 /nfs/dbraw/zinc/87/30/23/1435873023.db2.gz PEUHJGUZVIPARX-QGZVFWFLSA-N 0 0 394.504 3.479 20 30 GGEDRN COc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCCCO1 ZINC000283068829 1435873050 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/nfs/dbraw/zinc/89/93/06/1435899306.db2.gz PJRJYJZDUJYIBB-UHFFFAOYSA-N 0 0 392.507 3.484 20 30 GGEDRN C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](COCC)C1 ZINC000283656114 1435899604 /nfs/dbraw/zinc/89/96/04/1435899604.db2.gz YPWAHHXUCZZASP-LPHOPBHVSA-N 0 0 384.480 3.230 20 30 GGEDRN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2F)CC1 ZINC000283676932 1435901830 /nfs/dbraw/zinc/90/18/30/1435901830.db2.gz RPXUFBJDEDHSRU-UHFFFAOYSA-N 0 0 393.470 3.085 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC000283681597 1435902865 /nfs/dbraw/zinc/90/28/65/1435902865.db2.gz SBTIXLHWADAUGM-IBGZPJMESA-N 0 0 392.862 3.309 20 30 GGEDRN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(C#N)cc1 ZINC000283681302 1435902867 /nfs/dbraw/zinc/90/28/67/1435902867.db2.gz SACURCRHSMYBSW-UHFFFAOYSA-N 0 0 375.480 3.224 20 30 GGEDRN C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC000283685050 1435903402 /nfs/dbraw/zinc/90/34/02/1435903402.db2.gz SLJQFUBXOVEJHC-JOCHJYFZSA-N 0 0 382.508 3.025 20 30 GGEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(O)(c2ccccc2)CC1 ZINC000283683707 1435903592 /nfs/dbraw/zinc/90/35/92/1435903592.db2.gz SHJCJMSTVPEIAO-UHFFFAOYSA-N 0 0 389.503 3.328 20 30 GGEDRN C=C(C)Cn1c(C2CC2)nnc1N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000283685128 1435903769 /nfs/dbraw/zinc/90/37/69/1435903769.db2.gz SMMLVCKNWSXUFC-UHFFFAOYSA-N 0 0 383.544 3.005 20 30 GGEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000283691132 1435904400 /nfs/dbraw/zinc/90/44/00/1435904400.db2.gz TVIZXKFMDULLJX-QGZVFWFLSA-N 0 0 398.511 3.362 20 30 GGEDRN Cc1cc(C)cc([C@@H](O)CNC(=O)C(=O)Nc2ccccc2SCCC#N)c1 ZINC000283694027 1435905306 /nfs/dbraw/zinc/90/53/06/1435905306.db2.gz UGCLKABHNUPWME-SFHVURJKSA-N 0 0 397.500 3.098 20 30 GGEDRN Cc1cc(C)cc([C@H](O)CNC(=O)C(=O)Nc2ccccc2SCCC#N)c1 ZINC000283694026 1435905404 /nfs/dbraw/zinc/90/54/04/1435905404.db2.gz UGCLKABHNUPWME-GOSISDBHSA-N 0 0 397.500 3.098 20 30 GGEDRN C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@H](C#N)C1 ZINC000283698196 1435905680 /nfs/dbraw/zinc/90/56/80/1435905680.db2.gz UVMMPNANAGTBAI-QFBILLFUSA-N 0 0 397.479 3.122 20 30 GGEDRN COc1ccc(C2=NO[C@H](CNC(=O)CSc3ccc(C#N)cc3)C2)cc1F ZINC000283700432 1435906601 /nfs/dbraw/zinc/90/66/01/1435906601.db2.gz YEORCZUQSWCIBF-HNNXBMFYSA-N 0 0 399.447 3.107 20 30 GGEDRN C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000283710904 1435908545 /nfs/dbraw/zinc/90/85/45/1435908545.db2.gz WHTKINOEAYRMRB-HOCLYGCPSA-N 0 0 389.525 3.020 20 30 GGEDRN C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000283710881 1435908681 /nfs/dbraw/zinc/90/86/81/1435908681.db2.gz WHTKINOEAYRMRB-GDBMZVCRSA-N 0 0 389.525 3.020 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(=O)NC)CC1 ZINC000283712494 1435908875 /nfs/dbraw/zinc/90/88/75/1435908875.db2.gz WNRPQOGLANDAPA-UHFFFAOYSA-N 0 0 391.878 3.276 20 30 GGEDRN C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCOCC ZINC000283716961 1435909824 /nfs/dbraw/zinc/90/98/24/1435909824.db2.gz XCNPIGFTMZKXMY-UHFFFAOYSA-N 0 0 390.484 3.020 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC(N)=O)CC1 ZINC000283720300 1435910638 /nfs/dbraw/zinc/91/06/38/1435910638.db2.gz XLDPHIIBTKEBNK-UHFFFAOYSA-N 0 0 391.878 3.406 20 30 GGEDRN C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000283721754 1435910648 /nfs/dbraw/zinc/91/06/48/1435910648.db2.gz YDCXIGYUYPQPHI-FQEVSTJZSA-N 0 0 394.450 3.277 20 30 GGEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C)C1 ZINC000283723521 1435911209 /nfs/dbraw/zinc/91/12/09/1435911209.db2.gz XUAQYUFLTVQWSA-KRWDZBQOSA-N 0 0 381.528 3.265 20 30 GGEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C)C1 ZINC000283723526 1435911243 /nfs/dbraw/zinc/91/12/43/1435911243.db2.gz XUAQYUFLTVQWSA-QGZVFWFLSA-N 0 0 381.528 3.265 20 30 GGEDRN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000283723458 1435911266 /nfs/dbraw/zinc/91/12/66/1435911266.db2.gz XTAHSSPHSAAYPS-GOSISDBHSA-N 0 0 396.539 3.213 20 30 GGEDRN C=C(C)Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC000283727825 1435911923 /nfs/dbraw/zinc/91/19/23/1435911923.db2.gz YIHAFPHTNHCYIQ-MHZLTWQESA-N 0 0 381.505 3.290 20 30 GGEDRN C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[C@H](C)C1 ZINC000283737258 1435913311 /nfs/dbraw/zinc/91/33/11/1435913311.db2.gz ZKJHLYUECXOIQJ-HNNXBMFYSA-N 0 0 378.480 3.097 20 30 GGEDRN C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000283740043 1435914043 /nfs/dbraw/zinc/91/40/43/1435914043.db2.gz ZSSDCPSSYYAKDH-OPAMFIHVSA-N 0 0 393.491 3.387 20 30 GGEDRN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000283741808 1435914569 /nfs/dbraw/zinc/91/45/69/1435914569.db2.gz ZYMKTDQQIXFOAU-UHFFFAOYSA-N 0 0 382.512 3.221 20 30 GGEDRN CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCO[C@@H](C#N)C1 ZINC000283752537 1435916322 /nfs/dbraw/zinc/91/63/22/1435916322.db2.gz LEDJXYMSTZXPPS-SFHVURJKSA-N 0 0 389.459 3.273 20 30 GGEDRN CCn1c(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nnc1C(C)(C)C ZINC000283762582 1435918955 /nfs/dbraw/zinc/91/89/55/1435918955.db2.gz NGWIUMFMASJMAC-UHFFFAOYSA-N 0 0 395.467 3.042 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3c[nH]nc3-c3ccccc3F)CC2)o1 ZINC000283775970 1435921239 /nfs/dbraw/zinc/92/12/39/1435921239.db2.gz MTLZHEDXUOBXOV-UHFFFAOYSA-N 0 0 394.410 3.239 20 30 GGEDRN CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000283779749 1435922360 /nfs/dbraw/zinc/92/23/60/1435922360.db2.gz QYVKVLCTOYVROL-HXUWFJFHSA-N 0 0 395.507 3.391 20 30 GGEDRN CC(C)(C)OC(=O)NCCc1noc(-c2cc(-c3cccc(C#N)c3)no2)n1 ZINC000283792298 1435924539 /nfs/dbraw/zinc/92/45/39/1435924539.db2.gz GTJNCIPGUQJAEQ-UHFFFAOYSA-N 0 0 381.392 3.330 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)c1 ZINC000283806913 1435927131 /nfs/dbraw/zinc/92/71/31/1435927131.db2.gz BFBYAWSVRLTMOU-SFHVURJKSA-N 0 0 384.457 3.269 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)C(=O)NCc1ccccc1COCCC ZINC000283804312 1435927259 /nfs/dbraw/zinc/92/72/59/1435927259.db2.gz AXVYPIZFAUKECU-UHFFFAOYSA-N 0 0 384.476 3.080 20 30 GGEDRN Cc1cc(F)c(C(=O)C(C(=S)NC2(C)CC2)[n+]2cccc([O-])c2)cc1F ZINC000283834418 1435933485 /nfs/dbraw/zinc/93/34/85/1435933485.db2.gz BNJYDFGHDVVGBG-UHFFFAOYSA-O 0 0 377.436 3.347 20 30 GGEDRN C[C@@H](NC(=O)C(=O)N[C@H]1CCSc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000283840500 1435934613 /nfs/dbraw/zinc/93/46/13/1435934613.db2.gz FGDNLMKJMIQYSZ-PXAZEXFGSA-N 0 0 383.448 3.228 20 30 GGEDRN Cc1oc(C#N)cc1C(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000283845016 1435935597 /nfs/dbraw/zinc/93/55/97/1435935597.db2.gz VIJRLHKZUWBNPT-UHFFFAOYSA-N 0 0 394.349 3.482 20 30 GGEDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000283854703 1435937300 /nfs/dbraw/zinc/93/73/00/1435937300.db2.gz FWVNZVGHASBXTM-CQSZACIVSA-N 0 0 384.505 3.282 20 30 GGEDRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000283863112 1435939132 /nfs/dbraw/zinc/93/91/32/1435939132.db2.gz GFQVENDHSKWCRT-IFXJQAMLSA-N 0 0 393.491 3.219 20 30 GGEDRN C=CCCCCCN(C)C(=O)C(=O)NCc1ccc(NC(=O)NC(C)C)cc1 ZINC000283868641 1435940781 /nfs/dbraw/zinc/94/07/81/1435940781.db2.gz CLLSKBNXCHIZHD-UHFFFAOYSA-N 0 0 388.512 3.038 20 30 GGEDRN C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000283888238 1435944780 /nfs/dbraw/zinc/94/47/80/1435944780.db2.gz HGUNUNBRJLDSOR-CYBMUJFWSA-N 0 0 389.377 3.413 20 30 GGEDRN CC(C)COc1cccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000283890594 1435945858 /nfs/dbraw/zinc/94/58/58/1435945858.db2.gz HKWCWIOONBHGSG-INIZCTEOSA-N 0 0 379.460 3.087 20 30 GGEDRN C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000283900805 1435948660 /nfs/dbraw/zinc/94/86/60/1435948660.db2.gz HWVUPTJURLBADQ-DLBZAZTESA-N 0 0 390.487 3.213 20 30 GGEDRN C[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000283956130 1435961427 /nfs/dbraw/zinc/96/14/27/1435961427.db2.gz KTLHYJGPNGWWNF-UWVGGRQHSA-N 0 0 396.394 3.088 20 30 GGEDRN CCCCCCCCNC(=O)C(=O)N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000283968057 1435963980 /nfs/dbraw/zinc/96/39/80/1435963980.db2.gz KGEUPEPYPITHPX-YHAMSUFESA-N 0 0 380.554 3.420 20 30 GGEDRN COc1cccc([C@H]2CCCN2C(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000284029532 1435976000 /nfs/dbraw/zinc/97/60/00/1435976000.db2.gz OTOIYOWPTIVHNI-MGPUTAFESA-N 0 0 377.444 3.108 20 30 GGEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)c1c(F)cccc1F ZINC000284033141 1435976884 /nfs/dbraw/zinc/97/68/84/1435976884.db2.gz OZSQDAJUZWFGBZ-AWEZNQCLSA-N 0 0 385.414 3.451 20 30 GGEDRN C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 ZINC000284034952 1435977809 /nfs/dbraw/zinc/97/78/09/1435977809.db2.gz PBALKHZRNBLBLZ-OLZOCXBDSA-N 0 0 387.386 3.214 20 30 GGEDRN C[C@H](NC(=O)C(=O)NCC1(Cc2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC000284061646 1435983046 /nfs/dbraw/zinc/98/30/46/1435983046.db2.gz QTTFJKLTWDIKNA-HNNXBMFYSA-N 0 0 379.435 3.014 20 30 GGEDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000284088512 1435988665 /nfs/dbraw/zinc/98/86/65/1435988665.db2.gz SMFRDMOXVIZUDM-QGZVFWFLSA-N 0 0 392.503 3.239 20 30 GGEDRN Cc1coc(C)c1C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC000284102635 1435990922 /nfs/dbraw/zinc/99/09/22/1435990922.db2.gz SGZAWVWHGZEQBK-UHFFFAOYSA-N 0 0 377.448 3.207 20 30 GGEDRN C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccc(C#N)cc1 ZINC000284112893 1435992773 /nfs/dbraw/zinc/99/27/73/1435992773.db2.gz UTTUQLRQYWSWRB-BOUXLOLZSA-N 0 0 379.435 3.327 20 30 GGEDRN Cc1cc(C(F)(F)F)ccc1CNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000284140368 1435997800 /nfs/dbraw/zinc/99/78/00/1435997800.db2.gz WOJBZXZHOLSROI-ZDUSSCGKSA-N 0 0 389.377 3.379 20 30 GGEDRN C[C@H](NC(=O)C(=O)N[C@@H](C)c1ccccc1OC(F)F)c1ccc(C#N)cc1 ZINC000284153226 1436000149 /nfs/dbraw/zinc/00/01/49/1436000149.db2.gz XLXKPMDUYVYRLX-STQMWFEESA-N 0 0 387.386 3.214 20 30 GGEDRN C[C@@H](NC(=O)C(=O)N[C@H](C)c1ccccc1OC(F)F)c1ccc(C#N)cc1 ZINC000284153223 1436000205 /nfs/dbraw/zinc/00/02/05/1436000205.db2.gz XLXKPMDUYVYRLX-CHWSQXEVSA-N 0 0 387.386 3.214 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)Nc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000284159946 1436000432 /nfs/dbraw/zinc/00/04/32/1436000432.db2.gz QBFJZSPQQBAVIN-RTWAWAEBSA-N 0 0 385.464 3.079 20 30 GGEDRN Cc1[nH]c2c(cc(C)cc2CNC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)c1C ZINC000284156772 1436000504 /nfs/dbraw/zinc/00/05/04/1436000504.db2.gz XTCRGMVFSCMWLT-MRXNPFEDSA-N 0 0 388.471 3.458 20 30 GGEDRN C[C@H](NC(=O)C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000284174489 1436001421 /nfs/dbraw/zinc/00/14/21/1436001421.db2.gz ZBABRKKSRLFVNL-AGRHKRQWSA-N 0 0 397.862 3.035 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000284177125 1436001679 /nfs/dbraw/zinc/00/16/79/1436001679.db2.gz GLLXXQXBUHFIKQ-LJQANCHMSA-N 0 0 382.485 3.258 20 30 GGEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000284196263 1436003243 /nfs/dbraw/zinc/00/32/43/1436003243.db2.gz WRDFDZFNPLMTBM-MRXNPFEDSA-N 0 0 385.508 3.417 20 30 GGEDRN COc1ccc([C@H](C)NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000284221946 1436005195 /nfs/dbraw/zinc/00/51/95/1436005195.db2.gz SROAOMMPOXSMDD-INIZCTEOSA-N 0 0 379.460 3.181 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H](C)c1ccc(OC)cc1 ZINC000284316067 1436012724 /nfs/dbraw/zinc/01/27/24/1436012724.db2.gz YUAXUFHCQFJSDW-MRXNPFEDSA-N 0 0 382.460 3.096 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H](CC)c1ccc(OC)cc1 ZINC000284337899 1436014151 /nfs/dbraw/zinc/01/41/51/1436014151.db2.gz WJKQYUNTDMKKCJ-NRFANRHFSA-N 0 0 391.471 3.349 20 30 GGEDRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2ccc(C#N)cc2F)cc1F ZINC000284361979 1436016014 /nfs/dbraw/zinc/01/60/14/1436016014.db2.gz WVGFRPNKQRYPCU-GFCCVEGCSA-N 0 0 387.386 3.130 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)CC2)o1 ZINC000284367763 1436016555 /nfs/dbraw/zinc/01/65/55/1436016555.db2.gz FEESFTZZRYZZNQ-WMLDXEAASA-N 0 0 397.306 3.113 20 30 GGEDRN C=CC[C@@H](C(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1)c1ccccc1 ZINC000284372035 1436016704 /nfs/dbraw/zinc/01/67/04/1436016704.db2.gz FLMMWBSSSUFSFI-HXUWFJFHSA-N 0 0 398.528 3.182 20 30 GGEDRN C=CCCCCCN(C)C(=O)C(=O)NCc1cccc(COCCOCC)c1 ZINC000284396506 1436018526 /nfs/dbraw/zinc/01/85/26/1436018526.db2.gz IUEBERNTSXRFCL-UHFFFAOYSA-N 0 0 390.524 3.061 20 30 GGEDRN CN(CCC#N)c1ccc(CNc2ccc(C(=O)N3CCOCC3)c(F)c2)cc1 ZINC000284404170 1436019231 /nfs/dbraw/zinc/01/92/31/1436019231.db2.gz ZVCVRNRZJIMMHL-UHFFFAOYSA-N 0 0 396.466 3.260 20 30 GGEDRN COc1ccc(C)cc1C(=O)C(C(=S)NC1(C)CC1)[n+]1cc([O-])ccc1F ZINC000284453074 1436022978 /nfs/dbraw/zinc/02/29/78/1436022978.db2.gz QDNKXUGKWABQSB-UHFFFAOYSA-O 0 0 389.472 3.217 20 30 GGEDRN N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H](C(N)=O)C2)cc1 ZINC000284514705 1436027464 /nfs/dbraw/zinc/02/74/64/1436027464.db2.gz DDPGAZGTIPKXMN-KRWDZBQOSA-N 0 0 392.459 3.061 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCO[C@@H]1c1ccnn1C(C)C ZINC000284533934 1436028692 /nfs/dbraw/zinc/02/86/92/1436028692.db2.gz FPVQIBDSDLAFGV-KXBFYZLASA-N 0 0 383.452 3.386 20 30 GGEDRN CCN1CCO[C@@H](CNC(=O)Nc2ccc(CC#N)cc2)[C@@H]1c1ccccc1 ZINC000284560995 1436030568 /nfs/dbraw/zinc/03/05/68/1436030568.db2.gz NLHWLJCKQLSSTR-SFTDATJTSA-N 0 0 378.476 3.336 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC3(CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000284586174 1436032168 /nfs/dbraw/zinc/03/21/68/1436032168.db2.gz HLZRMCXAFJCKNE-UHFFFAOYSA-N 0 0 388.411 3.158 20 30 GGEDRN CC(C)(C)C1CCC(C#N)(NC(=O)Cc2ccccc2S(C)(=O)=O)CC1 ZINC000284613006 1436034419 /nfs/dbraw/zinc/03/44/19/1436034419.db2.gz IMTQDFAUOHSENX-UHFFFAOYSA-N 0 0 376.522 3.247 20 30 GGEDRN CCOC(COCCNC(=O)Nc1cccc(C#Cc2ccccn2)c1)OCC ZINC000284618606 1436035083 /nfs/dbraw/zinc/03/50/83/1436035083.db2.gz OVQBBKUNOZKJQA-UHFFFAOYSA-N 0 0 397.475 3.019 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](C(N)=O)C2)cc1F ZINC000284628059 1436035575 /nfs/dbraw/zinc/03/55/75/1436035575.db2.gz QCXXYDOTGWPIOC-CQSZACIVSA-N 0 0 382.395 3.219 20 30 GGEDRN COc1ccc([C@H](NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)C(C)C)cc1 ZINC000284637828 1436036503 /nfs/dbraw/zinc/03/65/03/1436036503.db2.gz JHEBZWAUQYIEBH-MGPUTAFESA-N 0 0 379.460 3.258 20 30 GGEDRN CCCCCOc1ccc([C@@H](C)NC(=O)C(=O)NCCCCC#N)cc1OC ZINC000284640417 1436036620 /nfs/dbraw/zinc/03/66/20/1436036620.db2.gz LTAWZZBIGDQNSZ-MRXNPFEDSA-N 0 0 389.496 3.251 20 30 GGEDRN COc1ccc([C@H](NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)C(C)C)cc1 ZINC000284657295 1436038014 /nfs/dbraw/zinc/03/80/14/1436038014.db2.gz KKXIZULFYJLHJQ-HXUWFJFHSA-N 0 0 379.460 3.039 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N(CC(F)(F)F)c3ccccn3)CC2)o1 ZINC000284715153 1436042504 /nfs/dbraw/zinc/04/25/04/1436042504.db2.gz QWUVPXURLDWDBM-UHFFFAOYSA-N 0 0 393.369 3.062 20 30 GGEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000284751447 1436046506 /nfs/dbraw/zinc/04/65/06/1436046506.db2.gz YWTYKUSHVXIXDJ-OAHLLOKOSA-N 0 0 394.431 3.088 20 30 GGEDRN COc1ccc([C@@H](NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000284780314 1436049424 /nfs/dbraw/zinc/04/94/24/1436049424.db2.gz SNWRICQOGUMXPF-FQEVSTJZSA-N 0 0 379.460 3.039 20 30 GGEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCC[C@H]2[C@H]2CCCO2)c1C#N ZINC000284801101 1436051079 /nfs/dbraw/zinc/05/10/79/1436051079.db2.gz OPVAZURTZBVUKQ-VQTJNVASSA-N 0 0 396.491 3.200 20 30 GGEDRN C[C@H]([NH2+]CCSCc1ccccc1-c1nn[n-]n1)c1ccc(OCC#N)cc1 ZINC000824606199 1441476014 /nfs/dbraw/zinc/47/60/14/1441476014.db2.gz OSJIMIXBMFESTJ-HNNXBMFYSA-N 0 0 394.504 3.353 20 30 GGEDRN N#Cc1ccc(C[N@H+]2CCCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)cc1 ZINC000737712859 1441856385 /nfs/dbraw/zinc/85/63/85/1441856385.db2.gz WNJJOAXYMTUHQO-UHFFFAOYSA-N 0 0 393.882 3.104 20 30 GGEDRN N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822802260 1442224970 /nfs/dbraw/zinc/22/49/70/1442224970.db2.gz YFZWIHQXJWLXBM-MOPGFXCFSA-N 0 0 383.459 3.391 20 30 GGEDRN C=CCN(CCc1ccccc1)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000819743202 1442253636 /nfs/dbraw/zinc/25/36/36/1442253636.db2.gz FMOYJCLIKOMGSE-UHFFFAOYSA-N 0 0 387.447 3.147 20 30 GGEDRN N#Cc1cc(Cl)ccc1N1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737706438 1442286239 /nfs/dbraw/zinc/28/62/39/1442286239.db2.gz XQWHIPQXOSXIOW-UHFFFAOYSA-N 0 0 393.882 3.104 20 30 GGEDRN COc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000826202327 1442298732 /nfs/dbraw/zinc/29/87/32/1442298732.db2.gz WWBMKMDQYKSRIA-UHFFFAOYSA-N 0 0 388.475 3.369 20 30 GGEDRN C=CCC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000823894739 1442460070 /nfs/dbraw/zinc/46/00/70/1442460070.db2.gz WXHMTNJEXSHDTE-INIZCTEOSA-N 0 0 380.452 3.312 20 30 GGEDRN C=CCOc1ccc(C[NH+]2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000823932145 1443218109 /nfs/dbraw/zinc/21/81/09/1443218109.db2.gz PXWHBVUYGAINOB-UHFFFAOYSA-N 0 0 391.475 3.475 20 30 GGEDRN N#CC1(c2ccccc2)CCC([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000826380809 1443545089 /nfs/dbraw/zinc/54/50/89/1443545089.db2.gz NCCZKVGMXWKJMK-UHFFFAOYSA-N 0 0 376.439 3.500 20 30 GGEDRN COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1-c1nnn[n-]1 ZINC000826193560 1443837712 /nfs/dbraw/zinc/83/77/12/1443837712.db2.gz HONFQSYXOFYCBD-UHFFFAOYSA-N 0 0 376.464 3.405 20 30 GGEDRN COc1ccc(C[NH2+][C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OCCCC#N ZINC000821804275 1444029888 /nfs/dbraw/zinc/02/98/88/1444029888.db2.gz KWPHYLJWKCMVDH-OAHLLOKOSA-N 0 0 392.463 3.409 20 30 GGEDRN CCC[N@H+](CCOc1ccc(C#N)cc1OC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736478511 1446276148 /nfs/dbraw/zinc/27/61/48/1446276148.db2.gz CJUXFNYDNRROSN-UHFFFAOYSA-N 0 0 392.463 3.038 20 30 GGEDRN C[C@H]([NH2+]C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)c1ccc(C#N)cc1 ZINC000824548088 1446301776 /nfs/dbraw/zinc/30/17/76/1446301776.db2.gz VCTINDMWROFWOJ-INIZCTEOSA-N 0 0 387.491 3.054 20 30 GGEDRN N#Cc1ccc(OCCC[N@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826385803 1446958362 /nfs/dbraw/zinc/95/83/62/1446958362.db2.gz BJRWIYRILOYMKU-UHFFFAOYSA-N 0 0 386.459 3.297 20 30 GGEDRN CCC[N@H+](CCOc1ccc(-c2nnn[n-]2)cc1OC)Cc1ccc(C#N)cc1 ZINC000736479911 1449749435 /nfs/dbraw/zinc/74/94/35/1449749435.db2.gz MAYMWJLUMHPQBE-UHFFFAOYSA-N 0 0 392.463 3.038 20 30 GGEDRN N#Cc1c(Cl)nc(C(F)(F)N2CC[C@]3(CCOC3)C2)nc1C(F)(F)F ZINC001164388376 718808655 /nfs/dbraw/zinc/80/86/55/718808655.db2.gz CMFALECNHVMHMS-LBPRGKRZSA-N 0 0 382.720 3.182 20 30 GGEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H]2CC(F)(F)[C@@H]2C1 ZINC001164405589 718869642 /nfs/dbraw/zinc/86/96/42/718869642.db2.gz FKOVWRNIBUYUHA-GXSJLCMTSA-N 0 0 391.752 3.420 20 30 GGEDRN CCOC(=O)[C@]12C[C@H]1CCN2C(F)(F)c1cc(Cl)nc(Cl)c1C#N ZINC001164616161 719038617 /nfs/dbraw/zinc/03/86/17/719038617.db2.gz SWBCEEHRINBHIC-CLAHSXSESA-N 0 0 376.190 3.337 20 30 GGEDRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccc(Cl)nc4C#N)C[C@@H]3O2)n1 ZINC001164653632 719298379 /nfs/dbraw/zinc/29/83/79/719298379.db2.gz PBIFFCJIRRLKRE-BPNCWPANSA-N 0 0 395.797 3.200 20 30 GGEDRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)c(C#N)c4)C[C@@H]3O2)n1 ZINC001164656937 719299390 /nfs/dbraw/zinc/29/93/90/719299390.db2.gz ZNIAALQWTJEZED-BPNCWPANSA-N 0 0 395.797 3.200 20 30 GGEDRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(Cl)ncc4C#N)C[C@H]3O2)n1 ZINC001164654609 719299437 /nfs/dbraw/zinc/29/94/37/719299437.db2.gz RJTRDWUYXZEDPP-LEWSCRJBSA-N 0 0 395.797 3.200 20 30 GGEDRN CC(C)n1nc(CN(C)C)c2c1CN(c1nc(Cl)c(F)cc1C#N)CC2 ZINC001164649992 719306995 /nfs/dbraw/zinc/30/69/95/719306995.db2.gz YRZVFSPJLRHNAY-UHFFFAOYSA-N 0 0 376.867 3.147 20 30 GGEDRN Cc1ccc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc1C#N ZINC001164674475 719506655 /nfs/dbraw/zinc/50/66/55/719506655.db2.gz YBUMHTWSDSZIKM-UHFFFAOYSA-N 0 0 380.467 3.272 20 30 GGEDRN Cc1nc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)ccc1CC#N ZINC001164670254 719525649 /nfs/dbraw/zinc/52/56/49/719525649.db2.gz CFJQXOGQYRPYRJ-UHFFFAOYSA-N 0 0 394.494 3.467 20 30 GGEDRN CC(C)Oc1ncnc2c1CCN(C(F)(F)c1cc(Cl)ncc1C#N)CC2 ZINC001164694797 719789982 /nfs/dbraw/zinc/78/99/82/719789982.db2.gz HKFHZRNLERQJQB-UHFFFAOYSA-N 0 0 393.825 3.334 20 30 GGEDRN C=CCN1C(=O)CC[C@]12CCCN([C@@H](F)Oc1cncc(Cl)n1)[C@@H]2CC ZINC001164700246 719824128 /nfs/dbraw/zinc/82/41/28/719824128.db2.gz KGNVEZWHCPRJPX-XWIAVFTESA-N 0 0 382.867 3.184 20 30 GGEDRN C=CCN1C(=O)CC[C@]12CCCN([C@@H](F)Oc1ccc(Cl)nn1)[C@@H]2CC ZINC001164700851 719824760 /nfs/dbraw/zinc/82/47/60/719824760.db2.gz MOZHLUODVMASAJ-XWIAVFTESA-N 0 0 382.867 3.184 20 30 GGEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC001164818722 720278750 /nfs/dbraw/zinc/27/87/50/720278750.db2.gz MLTJIJSIZFCAAY-GOSISDBHSA-N 0 0 394.853 3.380 20 30 GGEDRN N#Cc1cc(C(F)(F)N2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)cc(Cl)n1 ZINC001164819503 720279077 /nfs/dbraw/zinc/27/90/77/720279077.db2.gz RFPIZBOZMUFSNJ-GOSISDBHSA-N 0 0 394.853 3.380 20 30 GGEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC001164821269 720280205 /nfs/dbraw/zinc/28/02/05/720280205.db2.gz ZYUXGEFYWPEUMA-GOSISDBHSA-N 0 0 394.853 3.380 20 30 GGEDRN N#Cc1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc1Cl ZINC001164721732 720336549 /nfs/dbraw/zinc/33/65/49/720336549.db2.gz DFEJWUMNWCFKAA-CVEARBPZSA-N 0 0 389.837 3.400 20 30 GGEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164725340 720365187 /nfs/dbraw/zinc/36/51/87/720365187.db2.gz MMFOBSOGMHFGFL-IRXDYDNUSA-N 0 0 389.837 3.400 20 30 GGEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164722608 720389769 /nfs/dbraw/zinc/38/97/69/720389769.db2.gz DQHJYJMUUHMGAJ-JKSUJKDBSA-N 0 0 389.837 3.400 20 30 GGEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164726458 720391227 /nfs/dbraw/zinc/39/12/27/720391227.db2.gz OMWXDTOTTWNQQV-IRXDYDNUSA-N 0 0 389.837 3.400 20 30 GGEDRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3ccc(C#N)c(Cl)n3)O2)n1 ZINC001164826154 720400082 /nfs/dbraw/zinc/40/00/82/720400082.db2.gz CDUAPMMIVNHOFZ-XQQFMLRXSA-N 0 0 395.797 3.342 20 30 GGEDRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3ccc(C#N)c(Cl)n3)O2)n1 ZINC001164826152 720400434 /nfs/dbraw/zinc/40/04/34/720400434.db2.gz CDUAPMMIVNHOFZ-AVGNSLFASA-N 0 0 395.797 3.342 20 30 GGEDRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3ccc(Cl)nc3C#N)O2)n1 ZINC001164829211 720403516 /nfs/dbraw/zinc/40/35/16/720403516.db2.gz LZOGEZKQKCOIEH-MCIONIFRSA-N 0 0 395.797 3.342 20 30 GGEDRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3cc(Cl)ncc3C#N)O2)n1 ZINC001164830114 720405658 /nfs/dbraw/zinc/40/56/58/720405658.db2.gz PTQFZKJTYMQPJC-MCIONIFRSA-N 0 0 395.797 3.342 20 30 GGEDRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3cc(Cl)ncc3C#N)O2)n1 ZINC001164830116 720405707 /nfs/dbraw/zinc/40/57/07/720405707.db2.gz PTQFZKJTYMQPJC-MJBXVCDLSA-N 0 0 395.797 3.342 20 30 GGEDRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3cc(Cl)ncc3C#N)O2)n1 ZINC001164830112 720405979 /nfs/dbraw/zinc/40/59/79/720405979.db2.gz PTQFZKJTYMQPJC-IHRRRGAJSA-N 0 0 395.797 3.342 20 30 GGEDRN CC[C@@H]1N(C(F)(F)c2cc(OC)nc(Cl)c2C#N)CCC[C@]12CCC(=O)N2 ZINC001164847856 720753245 /nfs/dbraw/zinc/75/32/45/720753245.db2.gz NSHYGFAVXJQIIZ-GUYCJALGSA-N 0 0 398.841 3.188 20 30 GGEDRN N#Cc1cc(C(F)(F)N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)cc(Cl)n1 ZINC001164789617 721408920 /nfs/dbraw/zinc/40/89/20/721408920.db2.gz VNTKQXLAAKJSEM-RYUDHWBXSA-N 0 0 395.866 3.176 20 30 GGEDRN N#Cc1cc(Cl)c(Cl)nc1N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164788878 721410773 /nfs/dbraw/zinc/41/07/73/721410773.db2.gz SIPWSRXXSRMERW-VXGBXAGGSA-N 0 0 380.304 3.285 20 30 GGEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164789629 721412414 /nfs/dbraw/zinc/41/24/14/721412414.db2.gz VPPBGFRBQNXEAJ-BETUJISGSA-N 0 0 395.866 3.176 20 30 GGEDRN N#Cc1cc(Cl)nc(C(F)(F)N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c1 ZINC001164790152 721412712 /nfs/dbraw/zinc/41/27/12/721412712.db2.gz WESGGXAZVLSTSR-CHWSQXEVSA-N 0 0 395.866 3.176 20 30 GGEDRN N#Cc1ccc(-c2ccncc2)nc1N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164782643 721424158 /nfs/dbraw/zinc/42/41/58/721424158.db2.gz HAMHDQQBLDOPPA-ROUUACIJSA-N 0 0 388.500 3.040 20 30 GGEDRN N#Cc1nc(N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c(Cl)cc1Cl ZINC001164780846 721433855 /nfs/dbraw/zinc/43/38/55/721433855.db2.gz AOBUTPBTSCKKDR-GHMZBOCLSA-N 0 0 380.304 3.285 20 30 GGEDRN C[Si](C)(C)C#Cc1ccnc(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c1 ZINC001164781486 721436069 /nfs/dbraw/zinc/43/60/69/721436069.db2.gz 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946891775 /nfs/dbraw/zinc/89/17/75/946891775.db2.gz DETYZBULMHCEHL-UHFFFAOYSA-N 0 0 396.454 3.437 20 30 GGEDRN C#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)cc1 ZINC001573290238 946900949 /nfs/dbraw/zinc/90/09/49/946900949.db2.gz HTFDDKFCWHUSBW-UHFFFAOYSA-N 0 0 382.383 3.288 20 30 GGEDRN C#CCOc1cccc(Cl)c1CN(C)CCc1cccc(-c2nn[nH]n2)c1 ZINC001573290294 946902465 /nfs/dbraw/zinc/90/24/65/946902465.db2.gz VHXGTWRTZNINHM-UHFFFAOYSA-N 0 0 381.867 3.207 20 30 GGEDRN C#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[nH]n4)cc3)nc2)cc1 ZINC001573290544 946906213 /nfs/dbraw/zinc/90/62/13/946906213.db2.gz LIEOEARCJHROTE-UHFFFAOYSA-N 0 0 382.383 3.288 20 30 GGEDRN CC(=O)c1ccc(OC(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC001573556560 946928988 /nfs/dbraw/zinc/92/89/88/946928988.db2.gz SAKWIDDABYVJIS-AWEZNQCLSA-N 0 0 395.806 3.011 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001573293650 946963310 /nfs/dbraw/zinc/96/33/10/946963310.db2.gz FKGRJSMVVFOCNM-CRAIPNDOSA-N 0 0 390.495 3.470 20 30 GGEDRN C=C(C)CN(CC)c1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CC1(C)CC1 ZINC001573294250 946983659 /nfs/dbraw/zinc/98/36/59/946983659.db2.gz ZQZKQHWUAWYUDV-UHFFFAOYSA-N 0 0 378.484 3.328 20 30 GGEDRN C=C(CC)CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(-c2nn[nH]n2)cc1 ZINC001573295952 947034507 /nfs/dbraw/zinc/03/45/07/947034507.db2.gz WICJHDOFMQMOPV-UHFFFAOYSA-N 0 0 394.483 3.438 20 30 GGEDRN C=C(Cl)Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CCCC2(CC2)C1 ZINC001573296915 947056338 /nfs/dbraw/zinc/05/63/38/947056338.db2.gz BBIVMMWJVLSYAR-UHFFFAOYSA-N 0 0 396.886 3.258 20 30 GGEDRN C=C(Cl)Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CCC(C)=C(C)C1 ZINC001573298200 947072026 /nfs/dbraw/zinc/07/20/26/947072026.db2.gz NWUGOCWHQZCIFS-UHFFFAOYSA-N 0 0 396.886 3.424 20 30 GGEDRN CCN(C(=O)Cc1ccc(OCC#N)cc1)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825376528 947167931 /nfs/dbraw/zinc/16/79/31/947167931.db2.gz IMHJQOBMYVEMPI-UHFFFAOYSA-N 0 0 396.838 3.018 20 30 GGEDRN C=CC(C)(C)CCCNC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC001573306828 947176648 /nfs/dbraw/zinc/17/66/48/947176648.db2.gz NKVZWNHDGFZFNP-UHFFFAOYSA-N 0 0 379.468 3.083 20 30 GGEDRN C[C@H](C#N)N(C)C(=O)c1ccc(Oc2ccccc2-c2nn[nH]n2)c(Cl)c1 ZINC001573585443 947257083 /nfs/dbraw/zinc/25/70/83/947257083.db2.gz GBZNSHXSNWGFLW-LLVKDONJSA-N 0 0 382.811 3.296 20 30 GGEDRN C=CC1CCN(c2nnc(-c3cccc(-c4nn[nH]n4)c3)n2CCC2CC2)CC1 ZINC001573316649 947279229 /nfs/dbraw/zinc/27/92/29/947279229.db2.gz XWJZYJCKVAJNBQ-UHFFFAOYSA-N 0 0 390.495 3.328 20 30 GGEDRN C=CC[C@@H](Cc1ccccc1)NC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC001573326780 947378259 /nfs/dbraw/zinc/37/82/59/947378259.db2.gz VDKMKVLFDYASRW-KRWDZBQOSA-N 0 0 379.489 3.262 20 30 GGEDRN C=CCC[C@H](C(=O)N1CC(Nc2cccc(-c3nn[nH]n3)c2)C1)c1ccccc1 ZINC001573327790 947395797 /nfs/dbraw/zinc/39/57/97/947395797.db2.gz KWRJQOKMWSMKGW-FQEVSTJZSA-N 0 0 388.475 3.239 20 30 GGEDRN C=CCCN(OCc1ccccc1)C(=O)c1[nH]c2ccccc2c1-c1nn[nH]n1 ZINC001573334496 947456167 /nfs/dbraw/zinc/45/61/67/947456167.db2.gz DWJBOKXTPAGYHQ-UHFFFAOYSA-N 0 0 388.431 3.498 20 30 GGEDRN C=CCCC[C@@H](NC(=O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC001573334962 947467251 /nfs/dbraw/zinc/46/72/51/947467251.db2.gz KEOVTAGTSMNMHM-LJQANCHMSA-N 0 0 377.448 3.459 20 30 GGEDRN C=CCN(C)c1nnc(-c2ccccc2Cl)n1Cc1ccc(-c2nn[nH]n2)o1 ZINC001573341138 947527688 /nfs/dbraw/zinc/52/76/88/947527688.db2.gz IMTNYHQUSOBILH-UHFFFAOYSA-N 0 0 396.842 3.042 20 30 GGEDRN C=CCCSCCNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC001573341770 947537080 /nfs/dbraw/zinc/53/70/80/947537080.db2.gz QGMDMMDPVKKOJT-UHFFFAOYSA-N 0 0 396.476 3.093 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cc1c(C)cc(C#N)cc1C ZINC001573342449 947542280 /nfs/dbraw/zinc/54/22/80/947542280.db2.gz YQKUMKZFQMXGBZ-UHFFFAOYSA-N 0 0 386.459 3.113 20 30 GGEDRN C=CCOc1cc(OC)ccc1C(=O)N(C)[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001573347412 947574381 /nfs/dbraw/zinc/57/43/81/947574381.db2.gz DJOWKIWSXASNPB-AWEZNQCLSA-N 0 0 393.447 3.273 20 30 GGEDRN C=CCOc1ccc(C=CC(=O)Nc2cc(C)cc(-c3nn[nH]n3)c2)cc1OC ZINC001573347837 947576797 /nfs/dbraw/zinc/57/67/97/947576797.db2.gz IIZGVVFMNPBXFQ-VURMDHGXSA-N 0 0 391.431 3.400 20 30 GGEDRN C=CCOCCCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[nH]n2)cc1 ZINC001573348753 947587406 /nfs/dbraw/zinc/58/74/06/947587406.db2.gz UYXCGYRZWYOTOP-UHFFFAOYSA-N 0 0 394.435 3.373 20 30 GGEDRN C=CCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001573349102 947591625 /nfs/dbraw/zinc/59/16/25/947591625.db2.gz YYZROHFZIJXXEM-UHFFFAOYSA-N 0 0 390.495 3.494 20 30 GGEDRN C=CCOc1cccnc1C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[nH]n2)c1 ZINC001573349194 947591728 /nfs/dbraw/zinc/59/17/28/947591728.db2.gz ZSGZGGHHHZPEAM-UHFFFAOYSA-N 0 0 394.435 3.256 20 30 GGEDRN Cc1c(C(=O)C=Cc2ccc(O)c(F)c2)cnn1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826234008 947687509 /nfs/dbraw/zinc/68/75/09/947687509.db2.gz DEFKVVLCGUSXQV-WAPJZHGLSA-N 0 0 390.378 3.102 20 30 GGEDRN Cc1c(Cl)cnc(NCc2nc(-c3cccc(-c4nn[nH]n4)c3)c[nH]2)c1C#N ZINC000826240375 947711383 /nfs/dbraw/zinc/71/13/83/947711383.db2.gz PORCJXNDINVIQZ-UHFFFAOYSA-N 0 0 391.826 3.097 20 30 GGEDRN N#Cc1cc(NC(=O)c2coc(-c3ccccc3Cl)n2)ccc1-c1nn[nH]n1 ZINC000826384381 948185270 /nfs/dbraw/zinc/18/52/70/948185270.db2.gz SKLZKCQXJNHBTG-UHFFFAOYSA-N 0 0 391.778 3.299 20 30 GGEDRN N#Cc1cc([N+](=O)[O-])cnc1Sc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000826384535 948185665 /nfs/dbraw/zinc/18/56/65/948185665.db2.gz ZCKKUFGXONMCHX-UHFFFAOYSA-N 0 0 393.310 3.212 20 30 GGEDRN CC(F)(F)c1ccccc1NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575244219 949018412 /nfs/dbraw/zinc/01/84/12/949018412.db2.gz YEGDGHJYKPVLAB-CQSZACIVSA-N 0 0 382.374 3.299 20 30 GGEDRN CC[C@@]1(C(=O)[O-])CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC001589605211 949242410 /nfs/dbraw/zinc/24/24/10/949242410.db2.gz NCXVDKHJAUANMA-LJQANCHMSA-N 0 0 375.494 3.014 20 30 GGEDRN CC(C)(C)c1cc(C(=O)Nc2ccc(C#N)c(-c3nn[nH]n3)c2)cc(Cl)n1 ZINC001573879582 950729498 /nfs/dbraw/zinc/72/94/98/950729498.db2.gz HCTHXINIPOUHMT-UHFFFAOYSA-N 0 0 381.827 3.337 20 30 GGEDRN CC1(C)C[C@@H](CNc2nc3c(c(C#N)c2-c2nn[nH]n2)CCCCCC3)CCO1 ZINC001575639018 950848976 /nfs/dbraw/zinc/84/89/76/950848976.db2.gz MOBFCNVXWGPDFD-AWEZNQCLSA-N 0 0 395.511 3.409 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](C)C[C@H](C(=O)[O-])C3)sc2C1 ZINC001589364461 954178723 /nfs/dbraw/zinc/17/87/23/954178723.db2.gz UMOGPJASGVHHIX-RDBSUJKOSA-N 0 0 389.521 3.116 20 30 GGEDRN N#Cc1ccc(CN2CCC([NH2+][C@H]3C[C@H](C(=O)[O-])c4ccccc43)CC2)cc1 ZINC001594620943 956280714 /nfs/dbraw/zinc/28/07/14/956280714.db2.gz XCOJWJFGSWJDGW-VXKWHMMOSA-N 0 0 375.472 3.425 20 30 GGEDRN N#Cc1ccccc1COc1cccc(C[NH2+]CC2(C(=O)[O-])CCOCC2)c1 ZINC001117966986 957156969 /nfs/dbraw/zinc/15/69/69/957156969.db2.gz VMTZBUCEEMKHSU-UHFFFAOYSA-N 0 0 380.444 3.108 20 30 GGEDRN C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001332977734 957770351 /nfs/dbraw/zinc/77/03/51/957770351.db2.gz APHOHOIEIVLHGD-JCGIZDLHSA-N 0 0 381.480 3.084 20 30 GGEDRN C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)C(C)C ZINC001339710494 957866584 /nfs/dbraw/zinc/86/65/84/957866584.db2.gz QHHIJPWZHQWQOR-XUVXKRRUSA-N 0 0 385.508 3.297 20 30 GGEDRN Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)ccc1Cl ZINC001594311976 958039555 /nfs/dbraw/zinc/03/95/55/958039555.db2.gz SDAZHWWZVTZREL-INIZCTEOSA-N 0 0 391.899 3.472 20 30 GGEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1C#N ZINC001594252540 959622151 /nfs/dbraw/zinc/62/21/51/959622151.db2.gz AMMLNJGRKCAODF-CJNGLKHVSA-N 0 0 386.496 3.073 20 30 GGEDRN C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(C)(C(=O)[O-])CC3)sc2C1 ZINC001573738498 960470118 /nfs/dbraw/zinc/47/01/18/960470118.db2.gz GJGLXAYLNDVRFT-ZDUSSCGKSA-N 0 0 389.521 3.260 20 30 GGEDRN C=CC[NH+](CC=C)[C@H](CNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C(C)C ZINC001341354031 962131420 /nfs/dbraw/zinc/13/14/20/962131420.db2.gz OEXZGXJOPYYESP-WOJBJXKFSA-N 0 0 385.508 3.079 20 30 GGEDRN C#CC[N@@H+](Cc1cc(C(=O)[O-])oc1CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001573310785 962691229 /nfs/dbraw/zinc/69/12/29/962691229.db2.gz CRLPZDYVZOTGGP-UHFFFAOYSA-N 0 0 390.480 3.375 20 30 GGEDRN C#CCOc1ccc(Br)cc1C[NH2+]Cc1cc(C(=O)[O-])c(C)n1C ZINC001573311213 962695274 /nfs/dbraw/zinc/69/52/74/962695274.db2.gz JZTKPBXXDAGSCY-UHFFFAOYSA-N 0 0 391.265 3.096 20 30 GGEDRN C=C(CCC(=O)[O-])C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001573325467 962796283 /nfs/dbraw/zinc/79/62/83/962796283.db2.gz JUULUSXCVIOUHN-KRWDZBQOSA-N 0 0 398.425 3.320 20 30 GGEDRN Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(C)(C(=O)[O-])CC2)ccc1Cl ZINC001605186882 972902130 /nfs/dbraw/zinc/90/21/30/972902130.db2.gz IZVVTKQGORBVJE-UHFFFAOYSA-N 0 0 377.872 3.082 20 30 GGEDRN COc1cc(C[N@@H+](CC(=O)[O-])CC2CC2)ccc1OCc1cccc(C#N)c1 ZINC001604702587 973903302 /nfs/dbraw/zinc/90/33/02/973903302.db2.gz HWGAYLYQCPRRGQ-UHFFFAOYSA-N 0 0 380.444 3.442 20 30 GGEDRN N#Cc1cccc(NC(=O)CC[NH+]2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC001605617653 973935657 /nfs/dbraw/zinc/93/56/57/973935657.db2.gz SISUJOPETMFRCA-UHFFFAOYSA-N 0 0 377.444 3.465 20 30 GGEDRN CC(C)[C@H]([NH2+]CCCNC(=O)c1ccccc1Oc1ccccc1C#N)C(=O)[O-] ZINC001591902390 976297245 /nfs/dbraw/zinc/29/72/45/976297245.db2.gz VWKQNIHPRXXIIH-FQEVSTJZSA-N 0 0 395.459 3.169 20 30 GGEDRN CC(C)[C@H]1C[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC001591910549 976322658 /nfs/dbraw/zinc/32/26/58/976322658.db2.gz IGJXIGZELMMJGN-QZTJIDSGSA-N 0 0 387.480 3.261 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C(=O)[O-] ZINC001592225624 977410685 /nfs/dbraw/zinc/41/06/85/977410685.db2.gz FNHNRTXCAMGCRI-KFWWJZLASA-N 0 0 375.494 3.252 20 30 GGEDRN C[C@@](CC(=O)[O-])([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1cccnc1 ZINC001592319792 977712208 /nfs/dbraw/zinc/71/22/08/977712208.db2.gz DATGEAPOKACARU-SFHVURJKSA-N 0 0 378.350 3.311 20 30 GGEDRN C[C@@](CC(=O)[O-])([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(F)c1 ZINC001592319895 977712494 /nfs/dbraw/zinc/71/24/94/977712494.db2.gz GIZNAESALLPOMW-IBGZPJMESA-N 0 0 389.814 3.269 20 30 GGEDRN C[C@@H](CC[NH+](C)C)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001592513051 978343038 /nfs/dbraw/zinc/34/30/38/978343038.db2.gz BGLHVHDRGZYADT-INIZCTEOSA-N 0 0 379.460 3.246 20 30 GGEDRN CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC ZINC000736848777 978361781 /nfs/dbraw/zinc/36/17/81/978361781.db2.gz NDODABBBOIURAN-XLIONFOSSA-N 0 0 379.416 3.163 20 30 GGEDRN CCC[C@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C(=O)[O-] ZINC000829194189 978995332 /nfs/dbraw/zinc/99/53/32/978995332.db2.gz YJINUANGPJAJGJ-NRFANRHFSA-N 0 0 382.464 3.137 20 30 GGEDRN Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)c(OC[C@H]2CCOC2)c1 ZINC000832935116 979057144 /nfs/dbraw/zinc/05/71/44/979057144.db2.gz VGGLSQVGALSRAO-UWJYYQICSA-N 0 0 380.444 3.198 20 30 GGEDRN Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)c(OC[C@@H]2CCOC2)c1 ZINC000832935115 979057331 /nfs/dbraw/zinc/05/73/31/979057331.db2.gz VGGLSQVGALSRAO-UTKZUKDTSA-N 0 0 380.444 3.198 20 30 GGEDRN Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC[C@H]2CCOC2)c1 ZINC000832935308 979057708 /nfs/dbraw/zinc/05/77/08/979057708.db2.gz ZNMWLLGENPGXGE-LAUBAEHRSA-N 0 0 380.444 3.198 20 30 GGEDRN C[C@@H](CNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)C[NH+](C)C ZINC001592682921 979107243 /nfs/dbraw/zinc/10/72/43/979107243.db2.gz IODDNZKGRNUEAU-INIZCTEOSA-N 0 0 379.460 3.104 20 30 GGEDRN CCC(CC)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C(=O)[O-] ZINC001595101239 979405288 /nfs/dbraw/zinc/40/52/88/979405288.db2.gz NYLWRDGNHKIJSP-LBPRGKRZSA-N 0 0 377.510 3.306 20 30 GGEDRN CCC(CC)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(=O)[O-] ZINC001595101229 979405556 /nfs/dbraw/zinc/40/55/56/979405556.db2.gz NYLWRDGNHKIJSP-GFCCVEGCSA-N 0 0 377.510 3.306 20 30 GGEDRN C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC=C(C(=O)[O-])C2)cc1OC ZINC000853035449 979594798 /nfs/dbraw/zinc/59/47/98/979594798.db2.gz UPZJJOAKERADCV-CYBMUJFWSA-N 0 0 382.254 3.286 20 30 GGEDRN C=C(C)C[C@@H]([NH2+]Cc1cn(-c2cccc(Br)c2)nc1C)C(=O)[O-] ZINC000864530359 979944614 /nfs/dbraw/zinc/94/46/14/979944614.db2.gz WONNFSZIQPTDHO-MRXNPFEDSA-N 0 0 378.270 3.452 20 30 GGEDRN C=C(C)C[C@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)C(=O)[O-] ZINC000901679753 980442244 /nfs/dbraw/zinc/44/22/44/980442244.db2.gz PXUQPGWEVFYDQA-KRWDZBQOSA-N 0 0 381.314 3.423 20 30 GGEDRN C=CCOC[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)C(=O)[O-] ZINC000901812096 980533569 /nfs/dbraw/zinc/53/35/69/980533569.db2.gz ZSBOVCFBQIIBPX-LLVKDONJSA-N 0 0 398.175 3.093 20 30 GGEDRN CC[C@@H]1[C@@H](C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC[N@@H+]1C ZINC000909108251 981418216 /nfs/dbraw/zinc/41/82/16/981418216.db2.gz SQHCTIKQBYZZLR-LEWJYISDSA-N 0 0 376.456 3.453 20 30 GGEDRN CC[C@@](C)(C(=O)[O-])[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC1CC1 ZINC001594778626 981779294 /nfs/dbraw/zinc/77/92/94/981779294.db2.gz XIEGEGIFEFJLCK-ZHRRBRCNSA-N 0 0 392.459 3.189 20 30 GGEDRN CCC[NH+]1CCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC1 ZINC001595912144 983005003 /nfs/dbraw/zinc/00/50/03/983005003.db2.gz IBFNOAHZQAJTMG-UHFFFAOYSA-N 0 0 391.471 3.344 20 30 GGEDRN C#C[C@@H]([NH2+]Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1)C1CCOCC1 ZINC001588377705 983358574 /nfs/dbraw/zinc/35/85/74/983358574.db2.gz PXLQUOHDOIIRQB-GOSISDBHSA-N 0 0 399.443 3.083 20 30 GGEDRN C#CC[C@H]([NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1)C(=O)[O-] ZINC001588421938 983443582 /nfs/dbraw/zinc/44/35/82/983443582.db2.gz QJFLBFSSMAEMDK-PXAZEXFGSA-N 0 0 376.250 3.436 20 30 GGEDRN C#CC[N@@H+](CC1(CC(=O)[O-])CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC001588467950 983499388 /nfs/dbraw/zinc/49/93/88/983499388.db2.gz IOJYWOIXKSTRDA-HNNXBMFYSA-N 0 0 378.266 3.463 20 30 GGEDRN C#CC[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2SCCC(=O)[O-])CC1 ZINC001588477050 983513954 /nfs/dbraw/zinc/51/39/54/983513954.db2.gz UQUIIUBIPKZTCI-UHFFFAOYSA-N 0 0 395.912 3.126 20 30 GGEDRN C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC001588517567 983565706 /nfs/dbraw/zinc/56/57/06/983565706.db2.gz VPNWIOPFFPTMGX-OAHLLOKOSA-N 0 0 383.473 3.031 20 30 GGEDRN C#Cc1ccc(NC(=O)CC[NH2+][C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)cc1 ZINC001588518123 983568197 /nfs/dbraw/zinc/56/81/97/983568197.db2.gz REPVJKIDUDJEEJ-QMHKHESXSA-N 0 0 376.456 3.464 20 30 GGEDRN C=C(C)C[C@H]([NH2+]Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1)C(=O)[O-] ZINC001588553910 983628851 /nfs/dbraw/zinc/62/88/51/983628851.db2.gz VAHJZWOOPYZFBH-KRWDZBQOSA-N 0 0 392.496 3.347 20 30 GGEDRN C=C[C@H](C(=O)[O-])[NH+]1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001588668823 983806664 /nfs/dbraw/zinc/80/66/64/983806664.db2.gz AEVYZLGFWKPIMK-GFCCVEGCSA-N 0 0 393.203 3.229 20 30 GGEDRN C=CC[C@@H](C(=O)[O-])[NH+]1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001588728755 983983644 /nfs/dbraw/zinc/98/36/44/983983644.db2.gz FKTWIBBFVAIICF-QFIPXVFZSA-N 0 0 380.488 3.413 20 30 GGEDRN C=CC[C@H](C(=O)[O-])[NH+]1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001588728754 983983822 /nfs/dbraw/zinc/98/38/22/983983822.db2.gz FKTWIBBFVAIICF-JOCHJYFZSA-N 0 0 380.488 3.413 20 30 GGEDRN C=CC[C@@H](C(=O)[O-])[N@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001588731672 984010021 /nfs/dbraw/zinc/01/00/21/984010021.db2.gz MMYOIIQHWWWLIZ-UAGQMJEPSA-N 0 0 378.444 3.148 20 30 GGEDRN C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001588771115 984137842 /nfs/dbraw/zinc/13/78/42/984137842.db2.gz OKQVYSOKQPNZHQ-ZTNFWEORSA-N 0 0 383.492 3.004 20 30 GGEDRN C=CCCC(C)(C)CNC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001588776832 984153664 /nfs/dbraw/zinc/15/36/64/984153664.db2.gz IVCOTQFPPXXEHC-UHFFFAOYSA-N 0 0 388.512 3.007 20 30 GGEDRN C=CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2)[C@@H](C)COC ZINC001588824155 984296822 /nfs/dbraw/zinc/29/68/22/984296822.db2.gz VYWSSLYYCJXLLS-STQMWFEESA-N 0 0 380.510 3.033 20 30 GGEDRN C=CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2)[C@H](C)COC ZINC001588824154 984297136 /nfs/dbraw/zinc/29/71/36/984297136.db2.gz VYWSSLYYCJXLLS-QWHCGFSZSA-N 0 0 380.510 3.033 20 30 GGEDRN C=CCNC(=S)C(C(=O)c1ccc(C(=O)[O-])cc1)[n+]1ccc2c(c1)CCCC2 ZINC001588845585 984364046 /nfs/dbraw/zinc/36/40/46/984364046.db2.gz YKCNOIRJBNDBHX-UHFFFAOYSA-O 0 0 395.504 3.266 20 30 GGEDRN C=CCOC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCCN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588860495 984413828 /nfs/dbraw/zinc/41/38/28/984413828.db2.gz WHBGMFWVVQMNOQ-BBWFWOEESA-N 0 0 384.517 3.190 20 30 GGEDRN C=CCOC[C@@H]([NH2+]Cc1c(C)nn(-c2cc(C)ccc2C)c1Cl)C(=O)[O-] ZINC001588866410 984424968 /nfs/dbraw/zinc/42/49/68/984424968.db2.gz OZSYJAPHCXZRAW-MRXNPFEDSA-N 0 0 377.872 3.196 20 30 GGEDRN C=CCOC[C@@H]([NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1Cl)C(=O)[O-] ZINC001588866912 984428854 /nfs/dbraw/zinc/42/88/54/984428854.db2.gz VQSDYQYACNJZDV-OAHLLOKOSA-N 0 0 384.263 3.233 20 30 GGEDRN C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001588882352 984462655 /nfs/dbraw/zinc/46/26/55/984462655.db2.gz OLOWKIUKWXTWRJ-HXUWFJFHSA-N 0 0 379.428 3.240 20 30 GGEDRN C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[C@H](C(=O)[O-])[C@H]2C)c1=S ZINC001588889302 984478186 /nfs/dbraw/zinc/47/81/86/984478186.db2.gz PHZCDUFTOPRQJK-DOMZBBRYSA-N 0 0 376.457 3.159 20 30 GGEDRN C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[C@H](C(=O)[O-])[C@@H]2C)c1=S ZINC001588889305 984478306 /nfs/dbraw/zinc/47/83/06/984478306.db2.gz PHZCDUFTOPRQJK-WFASDCNBSA-N 0 0 376.457 3.159 20 30 GGEDRN CCO[C@H]1C[C@@]([NH2+]Cc2cc(C#N)ccc2Br)(C(=O)[O-])C1(C)C ZINC001596838461 985506713 /nfs/dbraw/zinc/50/67/13/985506713.db2.gz OBUMTOKMYCFINA-WMLDXEAASA-N 0 0 381.270 3.069 20 30 GGEDRN CCO[C@H]1C[C@@]([NH2+]Cc2ccc(Br)cc2C#N)(C(=O)[O-])C1(C)C ZINC001596838941 985512889 /nfs/dbraw/zinc/51/28/89/985512889.db2.gz QMSSEEKGXPANRM-WMLDXEAASA-N 0 0 381.270 3.069 20 30 GGEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H]2CCC[C@H]2C(=O)[O-])c1C#N ZINC001599973082 986041407 /nfs/dbraw/zinc/04/14/07/986041407.db2.gz HDPDAKGBSMIIAH-AEFFLSMTSA-N 0 0 386.496 3.263 20 30 GGEDRN C[C@H](C(=O)[O-])[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 ZINC001589470154 986953367 /nfs/dbraw/zinc/95/33/67/986953367.db2.gz XCOYYVGJLHIPSN-DJJJIMSYSA-N 0 0 397.500 3.489 20 30 GGEDRN CCc1cc[n+](C(C(=O)c2ccc(C(=O)[O-])cc2)C(=S)NC2CCC2)cc1 ZINC001597490009 988015813 /nfs/dbraw/zinc/01/58/13/988015813.db2.gz XWAQLFZUDGKZNH-UHFFFAOYSA-O 0 0 383.493 3.316 20 30 GGEDRN CC(C)(C)OC(=O)N1CC2(C1)CC[NH+]([C@@H](C(=O)[O-])c1ccc(C#N)cc1)CC2 ZINC001589948324 988740316 /nfs/dbraw/zinc/74/03/16/988740316.db2.gz LMHBVRPYNBEMST-QGZVFWFLSA-N 0 0 385.464 3.017 20 30 GGEDRN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc(C(=O)[O-])c2C#N)C12CCC2 ZINC001589985074 988879082 /nfs/dbraw/zinc/87/90/82/988879082.db2.gz KWRPEMHRLBSIIL-KRWDZBQOSA-N 0 0 385.464 3.278 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](Cc1cccc(C(=O)[O-])c1C#N)CC2 ZINC001590003669 988933542 /nfs/dbraw/zinc/93/35/42/988933542.db2.gz LJRLWGXYIZBLCG-UHFFFAOYSA-N 0 0 399.491 3.479 20 30 GGEDRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001590138601 989394573 /nfs/dbraw/zinc/39/45/73/989394573.db2.gz GXSSCJFOWRAQDI-RANZSIQMSA-N 0 0 385.464 3.062 20 30 GGEDRN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001590138599 989395039 /nfs/dbraw/zinc/39/50/39/989395039.db2.gz GXSSCJFOWRAQDI-LEUOFYLZSA-N 0 0 385.464 3.062 20 30 GGEDRN CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1cccc(C(=O)[O-])c1C#N)C1CCCC1 ZINC001590155054 989462770 /nfs/dbraw/zinc/46/27/70/989462770.db2.gz WOBSVWSOXUJTHX-SFHVURJKSA-N 0 0 387.480 3.430 20 30 GGEDRN C[NH+](C)CC1CCN(c2ccc(Nc3ccc(C(=O)[O-])nc3C#N)cc2)CC1 ZINC001598210779 990851957 /nfs/dbraw/zinc/85/19/57/990851957.db2.gz JSHAGTJHDKHLSE-UHFFFAOYSA-N 0 0 379.464 3.173 20 30 GGEDRN COc1ccccc1COC1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC001599712465 991395240 /nfs/dbraw/zinc/39/52/40/991395240.db2.gz FXHXKKJMDHENJB-NRFANRHFSA-N 0 0 380.444 3.374 20 30 GGEDRN C[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC001598446875 991883334 /nfs/dbraw/zinc/88/33/34/991883334.db2.gz MEFQGEQHGTYXEQ-QGZVFWFLSA-N 0 0 386.411 3.054 20 30 GGEDRN Cn1c2ccc(F)cc2c(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)c1C(=O)[O-] ZINC001598506135 992504606 /nfs/dbraw/zinc/50/46/06/992504606.db2.gz VNQNXGAWWIGXBO-LJQANCHMSA-N 0 0 381.407 3.053 20 30 GGEDRN C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(C(=O)[O-])cc1 ZINC001598513917 992597531 /nfs/dbraw/zinc/59/75/31/992597531.db2.gz JRRPIMBBLIPVGN-UHFFFAOYSA-N 0 0 375.432 3.189 20 30 GGEDRN CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001598547024 992957066 /nfs/dbraw/zinc/95/70/66/992957066.db2.gz OLMUSFOXKSDFKA-LZOLKVDOSA-N 0 0 396.409 3.206 20 30 GGEDRN C[C@@H]([NH2+][C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(N2CCCOC2=O)cc1 ZINC001593195547 994147880 /nfs/dbraw/zinc/14/78/80/994147880.db2.gz QMGRCJVZHPCDQN-KUHUBIRLSA-N 0 0 379.416 3.381 20 30 GGEDRN C[C@@H]([NH2+][C@H](CC(=O)[O-])C1CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001593204134 994196665 /nfs/dbraw/zinc/19/66/65/994196665.db2.gz MOBILKBUUFQXBB-IAQYHMDHSA-N 0 0 375.494 3.059 20 30 GGEDRN C[C@H]([NH2+][C@H]1CCCN(CCC(=O)[O-])C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001593222054 994330774 /nfs/dbraw/zinc/33/07/74/994330774.db2.gz GHTBZVUKJIUDQW-KKSFZXQISA-N 0 0 391.471 3.342 20 30 GGEDRN C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593231449 994375067 /nfs/dbraw/zinc/37/50/67/994375067.db2.gz KJXDGQPFVYXGAZ-JTSKRJEESA-N 0 0 377.488 3.449 20 30 GGEDRN C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593231453 994375789 /nfs/dbraw/zinc/37/57/89/994375789.db2.gz KJXDGQPFVYXGAZ-VGSWGCGISA-N 0 0 377.488 3.449 20 30 GGEDRN CC(C)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC001593237738 994415662 /nfs/dbraw/zinc/41/56/62/994415662.db2.gz UFOKTJLTTVYOGZ-BTYIYWSLSA-N 0 0 379.460 3.101 20 30 GGEDRN CC(C)[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC001593237740 994415775 /nfs/dbraw/zinc/41/57/75/994415775.db2.gz UFOKTJLTTVYOGZ-VFNWGFHPSA-N 0 0 379.460 3.101 20 30 GGEDRN COc1cccc([C@@H](C(=O)[O-])[N@H+](C)CC[C@@](C#N)(C(C)=O)c2ccccc2)c1 ZINC001599646742 994435623 /nfs/dbraw/zinc/43/56/23/994435623.db2.gz FMHYXICTGAGPSD-RBBKRZOGSA-N 0 0 380.444 3.193 20 30 GGEDRN C[C@@]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)(C(=O)[O-])c1ccccc1 ZINC001593261065 994548739 /nfs/dbraw/zinc/54/87/39/994548739.db2.gz JTAUZEZDYAFFKN-NRFANRHFSA-N 0 0 397.500 3.417 20 30 GGEDRN C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ncc(C(=O)[O-])s1 ZINC001593262799 994557011 /nfs/dbraw/zinc/55/70/11/994557011.db2.gz WLFBZEGHKAZYPG-SECBINFHSA-N 0 0 378.841 3.046 20 30 GGEDRN C[C@@]([NH2+]Cc1ccc(C#N)cc1OC(F)F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593292559 994678692 /nfs/dbraw/zinc/67/86/92/994678692.db2.gz NPZVTLSGZVJJFI-SFHVURJKSA-N 0 0 391.330 3.157 20 30 GGEDRN C[C@@H](Oc1ccccc1C[NH2+]C1CCN(c2ccccc2C#N)CC1)C(=O)[O-] ZINC001593645680 995976971 /nfs/dbraw/zinc/97/69/71/995976971.db2.gz LJAOPYDQQHCFGB-MRXNPFEDSA-N 0 0 379.460 3.169 20 30 GGEDRN COc1cc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2Br)ccc1C#N ZINC001599414600 997482401 /nfs/dbraw/zinc/48/24/01/997482401.db2.gz JKBFUOFKEMMEDS-MRXNPFEDSA-N 0 0 375.222 3.245 20 30 GGEDRN CO[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@@](C)(C(=O)[O-])C1 ZINC001599130715 997936989 /nfs/dbraw/zinc/93/69/89/997936989.db2.gz LISYEYUTUNCOLL-IFMALSPDSA-N 0 0 378.472 3.450 20 30 GGEDRN COc1cc(C#N)ccc1OCC[NH2+][C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001599350364 998082189 /nfs/dbraw/zinc/08/21/89/998082189.db2.gz NTTPFAFKMQBXTN-HXUWFJFHSA-N 0 0 388.851 3.275 20 30 GGEDRN COc1cc(C#N)ccc1OCC[NH2+][C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001599350371 998082269 /nfs/dbraw/zinc/08/22/69/998082269.db2.gz NZPIMMLZRORQQW-IVZQSRNASA-N 0 0 380.444 3.413 20 30 GGEDRN COc1cc(OC)cc(OCCC[N@H+](C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC001599453593 998148794 /nfs/dbraw/zinc/14/87/94/998148794.db2.gz MHFGFOMKEXUNKH-HXUWFJFHSA-N 0 0 384.432 3.102 20 30 GGEDRN COC(=O)c1ccc2c(c1)[C@H](C[NH2+][C@@H](C(=O)[O-])c1cccc(C#N)c1)CCC2 ZINC001598989542 998723855 /nfs/dbraw/zinc/72/38/55/998723855.db2.gz CLQNDFMLYARKFN-AZUAARDMSA-N 0 0 378.428 3.180 20 30 GGEDRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+][C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001594406186 999520494 /nfs/dbraw/zinc/52/04/94/999520494.db2.gz SXUGXPQEIFYZEP-KJWYOANISA-N 0 0 387.480 3.308 20 30 GGEDRN C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C(=O)[O-])C1 ZINC001594418852 999563353 /nfs/dbraw/zinc/56/33/53/999563353.db2.gz KVJORTCRPOEOHV-SWLSCSKDSA-N 0 0 375.494 3.012 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCCC[C@@H]3C(=O)[O-])sc2C1 ZINC001594441437 999627213 /nfs/dbraw/zinc/62/72/13/999627213.db2.gz CIIXSCIPCCNWMS-CZUORRHYSA-N 0 0 389.521 3.402 20 30 GGEDRN C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(CC(=O)[O-])CC3)sc2C1 ZINC001594441587 999627257 /nfs/dbraw/zinc/62/72/57/999627257.db2.gz DUWNDOVAUKJZAY-ZDUSSCGKSA-N 0 0 389.521 3.260 20 30 GGEDRN CC(C)[N@H+](CCC(=O)[O-])CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC001594441626 999627463 /nfs/dbraw/zinc/62/74/63/999627463.db2.gz GSLPGROEJQJXAR-CYBMUJFWSA-N 0 0 377.510 3.258 20 30 GGEDRN C[C@@H](C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C1CC1)C(=O)[O-] ZINC001594442179 999628604 /nfs/dbraw/zinc/62/86/04/999628604.db2.gz NQBGUNWDLPFCMQ-OLZOCXBDSA-N 0 0 389.521 3.258 20 30 GGEDRN C=CCOc1cccc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])c1 ZINC000277174733 1126078310 /nfs/dbraw/zinc/07/83/10/1126078310.db2.gz DWLSMEPHTQHWGD-IBGZPJMESA-N 0 0 383.444 3.198 20 30 GGEDRN C=C(C)COc1cc(C[NH2+][C@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])ccc1OC ZINC000277187296 1126078413 /nfs/dbraw/zinc/07/84/13/1126078413.db2.gz FRHSWDFHYZPCFZ-QGZVFWFLSA-N 0 0 399.443 3.164 20 30 GGEDRN N#Cc1c(F)cccc1C[NH2+][C@H](Cc1ccccc1Br)C(=O)[O-] ZINC001601081893 1126221820 /nfs/dbraw/zinc/22/18/20/1126221820.db2.gz AKGVQRLLEZQZDT-MRXNPFEDSA-N 0 0 377.213 3.245 20 30 GGEDRN N#Cc1cccc(C[NH2+][C@]2(C(=O)[O-])CCc3cc(Br)ccc3C2)c1 ZINC001601123158 1126222030 /nfs/dbraw/zinc/22/20/30/1126222030.db2.gz MHCCSXWIRBRMMK-LJQANCHMSA-N 0 0 385.261 3.423 20 30 GGEDRN N#Cc1cccc(C[NH2+][C@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])c1F ZINC001601122974 1126222039 /nfs/dbraw/zinc/22/20/39/1126222039.db2.gz KWHCNIQZXPACPQ-OAHLLOKOSA-N 0 0 382.313 3.381 20 30 GGEDRN N#Cc1ccc(C[NH2+][C@@]2(C(=O)[O-])CCc3cc(Br)ccc3C2)o1 ZINC001601102037 1126222053 /nfs/dbraw/zinc/22/20/53/1126222053.db2.gz XGVITMRTSBUYDM-KRWDZBQOSA-N 0 0 375.222 3.016 20 30 GGEDRN N#Cc1cccc(C[NH2+][C@@]2(C(=O)[O-])CCc3cc(Br)ccc3C2)c1 ZINC001601123106 1126222066 /nfs/dbraw/zinc/22/20/66/1126222066.db2.gz MHCCSXWIRBRMMK-IBGZPJMESA-N 0 0 385.261 3.423 20 30 GGEDRN COc1cc(C[NH2+][C@H](Cc2ccccc2Br)C(=O)[O-])ccc1C#N ZINC001607164334 1126232467 /nfs/dbraw/zinc/23/24/67/1126232467.db2.gz VBJZOAMKNQJMTR-MRXNPFEDSA-N 0 0 389.249 3.115 20 30 GGEDRN C[C@H]1CCCC[C@@H]1NC(=S)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000013056654 230883814 /nfs/dbraw/zinc/88/38/14/230883814.db2.gz HLTJXQFBTZVWLO-BBRMVZONSA-N 0 0 394.566 3.022 20 30 GGEDRN C[C@H]1Cc2cc(S(=O)(=O)N(CCC#N)Cc3ccccn3)cc(Cl)c2O1 ZINC000097590923 231002956 /nfs/dbraw/zinc/00/29/56/231002956.db2.gz JEAKQKGYDMUXMZ-ZDUSSCGKSA-N 0 0 391.880 3.163 20 30 GGEDRN C=CCn1c(Sc2cc(C)nc3nc(C(F)(F)F)nn32)nnc1C1CC1 ZINC000026698720 212108118 /nfs/dbraw/zinc/10/81/18/212108118.db2.gz ARNFMPVMZLHOGF-UHFFFAOYSA-N 0 0 381.387 3.258 20 30 GGEDRN C=CCc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc(OC)c1OC ZINC000021916152 212106759 /nfs/dbraw/zinc/10/67/59/212106759.db2.gz MCBVFXOBOAWZRA-UHFFFAOYSA-N 0 0 394.471 3.031 20 30 GGEDRN C=CCn1c2nnc(S[C@@H](C)C(=O)N[C@H](C)CCC)n2c2ccccc2c1=O ZINC000021395878 212106204 /nfs/dbraw/zinc/10/62/04/212106204.db2.gz HVVFOXYVBYKRMO-KGLIPLIRSA-N 0 0 399.520 3.016 20 30 GGEDRN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N(CC)C(C)C)cc2)cc1 ZINC000030675685 212109830 /nfs/dbraw/zinc/10/98/30/212109830.db2.gz MQYSRMHNXQUHDL-UHFFFAOYSA-N 0 0 399.516 3.085 20 30 GGEDRN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)Nc1cccc(C#N)c1 ZINC000004288000 212102417 /nfs/dbraw/zinc/10/24/17/212102417.db2.gz PPNKOGUVCWHBAX-LLVKDONJSA-N 0 0 398.879 3.303 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2Cl)c1 ZINC000021911351 212105950 /nfs/dbraw/zinc/10/59/50/212105950.db2.gz ADKCXOCIYNGAEZ-ZDUSSCGKSA-N 0 0 378.881 3.295 20 30 GGEDRN C=CCNC(=O)[C@@H](C)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000024337750 212105375 /nfs/dbraw/zinc/10/53/75/212105375.db2.gz NFFHRZNMLUCNJT-QGZVFWFLSA-N 0 0 399.485 3.363 20 30 GGEDRN C=CCn1c(S[C@@H](C)C(=O)OC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000008633182 212103128 /nfs/dbraw/zinc/10/31/28/212103128.db2.gz LUKGMLFZWVLFHV-MNOVXSKESA-N 0 0 378.519 3.422 20 30 GGEDRN C=CCN(C(=O)c1nc2nccc(C)n2n1)c1nc(-c2ccccc2)cs1 ZINC000014724003 212098703 /nfs/dbraw/zinc/09/87/03/212098703.db2.gz GEGUPSVGDIAAED-UHFFFAOYSA-N 0 0 376.445 3.389 20 30 GGEDRN NC(=O)CSc1ccccc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000012781412 212097841 /nfs/dbraw/zinc/09/78/41/212097841.db2.gz QJBMGFTXOPRCPQ-UHFFFAOYSA-N 0 0 392.402 3.064 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008777016 212097128 /nfs/dbraw/zinc/09/71/28/212097128.db2.gz ZLBLUGWPTNACKO-UHFFFAOYSA-N 0 0 390.530 3.361 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC000015797552 212099989 /nfs/dbraw/zinc/09/99/89/212099989.db2.gz BBYHVOMVNAWHBA-UHFFFAOYSA-N 0 0 382.388 3.005 20 30 GGEDRN C=CCN(C(=O)Cn1cnc2c(C)cccc2c1=O)c1nc2c(s1)CCCC2 ZINC000008941850 212096143 /nfs/dbraw/zinc/09/61/43/212096143.db2.gz WQNVVBKRHNENJY-UHFFFAOYSA-N 0 0 394.500 3.259 20 30 GGEDRN C=CCN(CC=C)C(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000008753439 212095817 /nfs/dbraw/zinc/09/58/17/212095817.db2.gz KXMNAPULTYWOFX-UHFFFAOYSA-N 0 0 383.452 3.247 20 30 GGEDRN C=CCn1c(C)nnc1SCC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000006908869 212083168 /nfs/dbraw/zinc/08/31/68/212083168.db2.gz HXOGPHRDSOBCRD-UHFFFAOYSA-N 0 0 399.520 3.176 20 30 GGEDRN C=CCn1c(SCC(=O)N(C)C)nnc1-c1ccc(Br)cc1 ZINC000006905909 212082368 /nfs/dbraw/zinc/08/23/68/212082368.db2.gz FBCABRIRHVIRSM-UHFFFAOYSA-N 0 0 381.299 3.074 20 30 GGEDRN C=CCNC(=O)NC(=O)CSc1nc2ccccc2n1-c1ccc(C)cc1 ZINC000006032863 212081513 /nfs/dbraw/zinc/08/15/13/212081513.db2.gz ZLEIZNMHXKFPLS-UHFFFAOYSA-N 0 0 380.473 3.438 20 30 GGEDRN C=CCn1c(SCC(=O)N[C@H](C)COC)nnc1-c1ccc(Cl)cc1 ZINC000006087411 212080860 /nfs/dbraw/zinc/08/08/60/212080860.db2.gz SQQKONWEMZBTIL-GFCCVEGCSA-N 0 0 380.901 3.028 20 30 GGEDRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3scnc3C)CC2)cc1 ZINC000328593845 533044490 /nfs/dbraw/zinc/04/44/90/533044490.db2.gz RGSBMBBKQIHVRK-UHFFFAOYSA-N 0 0 395.506 3.149 20 30 GGEDRN N#Cc1ccsc1NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000003361647 220635376 /nfs/dbraw/zinc/63/53/76/220635376.db2.gz FSDDVLICMJEOGM-UHFFFAOYSA-N 0 0 394.433 3.249 20 30 GGEDRN CSc1ccccc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000003407544 220641983 /nfs/dbraw/zinc/64/19/83/220641983.db2.gz NNVYMIMYKIZZHQ-AWEZNQCLSA-N 0 0 382.489 3.178 20 30 GGEDRN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(C#N)cc1 ZINC000003439995 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CS(=O)(=O)N(CCOc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000023617341 564326341 /nfs/dbraw/zinc/32/63/41/564326341.db2.gz RRAMDLMKGZXDPT-UHFFFAOYSA-N 0 0 395.278 3.166 20 30 GGEDRN N#Cc1cc(C#N)c(SCc2cc3c(cc2Br)OCO3)nc1N ZINC000023805910 564327146 /nfs/dbraw/zinc/32/71/46/564327146.db2.gz RGWVBSUEDGBEJK-UHFFFAOYSA-N 0 0 389.234 3.191 20 30 GGEDRN C=CCN(C(=O)Nc1cccc(Cl)c1OC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000120605573 564328655 /nfs/dbraw/zinc/32/86/55/564328655.db2.gz XQQYQTBEBJYZSL-ZDUSSCGKSA-N 0 0 386.901 3.334 20 30 GGEDRN COC(=O)CN(CC#N)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000120642106 564331022 /nfs/dbraw/zinc/33/10/22/564331022.db2.gz LNFCKZMAODDPIJ-UHFFFAOYSA-N 0 0 384.244 3.256 20 30 GGEDRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@](C)(C#N)C(C)C)ccc1Cl ZINC000120665628 564331418 /nfs/dbraw/zinc/33/14/18/564331418.db2.gz ZSIBWMPLDBMPSX-QGZVFWFLSA-N 0 0 385.917 3.039 20 30 GGEDRN N#Cc1c2c(sc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O)CCCCC2 ZINC000024980708 564334805 /nfs/dbraw/zinc/33/48/05/564334805.db2.gz 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RTUOINKZCJSOEO-OAHLLOKOSA-N 0 0 389.253 3.314 20 30 GGEDRN C=CCn1c(=O)c2ccc(Cl)cc2nc1Sc1c([N+](=O)[O-])ncn1C ZINC000029165962 564367291 /nfs/dbraw/zinc/36/72/91/564367291.db2.gz WHGNKBDTTXOZRO-UHFFFAOYSA-N 0 0 377.813 3.029 20 30 GGEDRN CN(C)S(=O)(=O)c1ccc(OCCSCc2ccc(C#N)cc2)cc1 ZINC000029680177 564371450 /nfs/dbraw/zinc/37/14/50/564371450.db2.gz ANCZRPAUIATFBM-UHFFFAOYSA-N 0 0 376.503 3.121 20 30 GGEDRN CNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000121642216 564379499 /nfs/dbraw/zinc/37/94/99/564379499.db2.gz SFNSOAUYTMWGPS-UHFFFAOYSA-N 0 0 384.244 3.025 20 30 GGEDRN COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1Br ZINC000030428384 564380419 /nfs/dbraw/zinc/38/04/19/564380419.db2.gz HDMUHWFTHLYBDY-LLVKDONJSA-N 0 0 395.278 3.369 20 30 GGEDRN COc1ccc([C@H](C)NS(=O)(=O)c2ccccc2C#N)cc1Br ZINC000030428376 564380832 /nfs/dbraw/zinc/38/08/32/564380832.db2.gz RPKAHGFWWVAKMN-NSHDSACASA-N 0 0 395.278 3.369 20 30 GGEDRN Cc1cc(S(=O)(=O)N(C)Cc2ccc(C#N)cc2)ccc1Br ZINC000030522898 564381921 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N#Cc1ccc(NC(=O)C(=O)NCC2(c3ccccc3Br)CC2)cc1 ZINC000122092805 564399983 /nfs/dbraw/zinc/39/99/83/564399983.db2.gz OFVMIZHTLRCPJY-UHFFFAOYSA-N 0 0 398.260 3.107 20 30 GGEDRN CC(=O)N[C@@H](CC(=O)N[C@H](C#N)C(C)(C)C)c1ccc(Br)cc1 ZINC000122144362 564401510 /nfs/dbraw/zinc/40/15/10/564401510.db2.gz KRWHSUBBGMXBGQ-LSDHHAIUSA-N 0 0 380.286 3.071 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(I)c1 ZINC000032615185 564403458 /nfs/dbraw/zinc/40/34/58/564403458.db2.gz UYGABUNKPBXMLO-UHFFFAOYSA-N 0 0 376.197 3.435 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](C#N)C(C)(C)C ZINC000122218097 564405539 /nfs/dbraw/zinc/40/55/39/564405539.db2.gz GXGQQVYPEAFJJP-AWEZNQCLSA-N 0 0 394.269 3.153 20 30 GGEDRN CN(C)S(=O)(=O)c1ccccc1CNc1ccc(C#N)cc1Br ZINC000122362438 564410649 /nfs/dbraw/zinc/41/06/49/564410649.db2.gz NMIFMXLBQMQAGK-UHFFFAOYSA-N 0 0 394.294 3.183 20 30 GGEDRN CC(C)(C)[C@@H](C#N)NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000122355481 564411122 /nfs/dbraw/zinc/41/11/22/564411122.db2.gz FJYVKXQHXSAYJQ-CYBMUJFWSA-N 0 0 381.274 3.015 20 30 GGEDRN O=C(CON=C1CCC2(CC1)OCCO2)Nc1ccc(Br)cc1 ZINC000122396974 564412073 /nfs/dbraw/zinc/41/20/73/564412073.db2.gz MRRYTUXOIKAMSD-UHFFFAOYSA-N 0 0 383.242 3.077 20 30 GGEDRN C=CCn1c(SCC(=O)NCCOCC)nnc1-c1cccc(Cl)c1 ZINC000122554215 564419426 /nfs/dbraw/zinc/41/94/26/564419426.db2.gz BSCCMSSQRISBOX-UHFFFAOYSA-N 0 0 380.901 3.029 20 30 GGEDRN C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nc2sccc2c1=O ZINC000036800105 564419509 /nfs/dbraw/zinc/41/95/09/564419509.db2.gz DHFIUVDLVFIFKA-TZMCWYRMSA-N 0 0 377.535 3.431 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(Br)c1 ZINC000122597881 564420300 /nfs/dbraw/zinc/42/03/00/564420300.db2.gz WGTDNPHCYAKZLK-UHFFFAOYSA-N 0 0 388.240 3.422 20 30 GGEDRN N#Cc1ccc(OC[C@H](O)CNc2cccc(I)c2)cc1 ZINC000037856948 564421715 /nfs/dbraw/zinc/42/17/15/564421715.db2.gz WHAVDOURYRZWBK-OAHLLOKOSA-N 0 0 394.212 3.015 20 30 GGEDRN N#CCc1ccc(OC[C@H](O)COc2ccc(F)cc2Br)cc1 ZINC000122743930 564425617 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N#Cc1ccc(NC(=O)C(=O)NCc2ccc(Br)s2)cc1Cl ZINC000041951044 564439120 /nfs/dbraw/zinc/43/91/20/564439120.db2.gz GQBSWFSOCXSPSH-UHFFFAOYSA-N 0 0 398.669 3.291 20 30 GGEDRN COc1cccc(CN(C)C(=O)COc2ccc(Br)cc2C#N)c1 ZINC000123141712 564439265 /nfs/dbraw/zinc/43/92/65/564439265.db2.gz IUMDUFOLUNLTLD-UHFFFAOYSA-N 0 0 389.249 3.367 20 30 GGEDRN Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000042019783 564440141 /nfs/dbraw/zinc/44/01/41/564440141.db2.gz LXAWWDJGMSVOAB-GFCCVEGCSA-N 0 0 386.249 3.445 20 30 GGEDRN Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)c(Br)c1 ZINC000042019465 564440335 /nfs/dbraw/zinc/44/03/35/564440335.db2.gz SLQRVOSIKHBNIE-GFCCVEGCSA-N 0 0 386.249 3.445 20 30 GGEDRN COc1ccc(Cl)cc1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000042075647 564441139 /nfs/dbraw/zinc/44/11/39/564441139.db2.gz YVVMPATYKLGEGJ-UHFFFAOYSA-N 0 0 378.215 3.129 20 30 GGEDRN C=CCn1c(S[C@H]2CCN(CC(F)(F)F)C2=O)nnc1-c1cccs1 ZINC000123211395 564441947 /nfs/dbraw/zinc/44/19/47/564441947.db2.gz 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Cc1nc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)sc1SCC#N ZINC000044790030 564472599 /nfs/dbraw/zinc/47/25/99/564472599.db2.gz XLEGEXNMPGHXEL-LLVKDONJSA-N 0 0 376.438 3.271 20 30 GGEDRN N#Cc1cccc(NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)c1 ZINC000044818650 564473525 /nfs/dbraw/zinc/47/35/25/564473525.db2.gz VGNAOKSVXPSXIU-CQSZACIVSA-N 0 0 384.233 3.312 20 30 GGEDRN C=CCn1c(SCCCCS(C)(=O)=O)nnc1-c1cccc(OC)c1 ZINC000124213305 564474995 /nfs/dbraw/zinc/47/49/95/564474995.db2.gz ANOXPFICIYSJLB-UHFFFAOYSA-N 0 0 381.523 3.057 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1cccc(Br)c1 ZINC000045174227 564478947 /nfs/dbraw/zinc/47/89/47/564478947.db2.gz SBNWYIXOFQADTL-UHFFFAOYSA-N 0 0 389.297 3.425 20 30 GGEDRN C[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(C#N)cc1 ZINC000045218293 564479601 /nfs/dbraw/zinc/47/96/01/564479601.db2.gz FFWGZJFYJWVLAG-NSHDSACASA-N 0 0 376.243 3.472 20 30 GGEDRN N#Cc1cccc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)c1 ZINC000045370405 564483038 /nfs/dbraw/zinc/48/30/38/564483038.db2.gz ASBLXMVWUOTVMU-UHFFFAOYSA-N 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/nfs/dbraw/zinc/49/35/78/564493578.db2.gz PKSRAZZGVFNPRZ-UHFFFAOYSA-N 0 0 375.881 3.113 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)=O)s2)cc1 ZINC000046102686 564494543 /nfs/dbraw/zinc/49/45/43/564494543.db2.gz JZIRIYPISCZDCY-UHFFFAOYSA-N 0 0 378.475 3.010 20 30 GGEDRN Cc1nc(NC(=O)c2cc(Br)c(C)[nH]c2=O)sc1SCC#N ZINC000124858511 564495245 /nfs/dbraw/zinc/49/52/45/564495245.db2.gz BDRVQCAUWZWGHC-UHFFFAOYSA-N 0 0 399.295 3.491 20 30 GGEDRN Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1sccc1C#N ZINC000124870303 564496189 /nfs/dbraw/zinc/49/61/89/564496189.db2.gz COGCPGXEIZCZSX-UHFFFAOYSA-N 0 0 392.278 3.449 20 30 GGEDRN C=CCCOCCNC(=O)Nc1cc(F)c(F)cc1I ZINC000124864985 564496607 /nfs/dbraw/zinc/49/66/07/564496607.db2.gz VIPGCVZVWJRIJB-UHFFFAOYSA-N 0 0 396.175 3.284 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)Cc2cccc(I)c2)C1 ZINC000125007891 564499693 /nfs/dbraw/zinc/49/96/93/564499693.db2.gz DBJKTJRENSIEBJ-WBMJQRKESA-N 0 0 382.245 3.422 20 30 GGEDRN C=C(C)CN(CC)C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl 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N#CCN(C(=O)CCNC(=O)c1cc(F)ccc1Br)C1CCCC1 ZINC000125274825 564509425 /nfs/dbraw/zinc/50/94/25/564509425.db2.gz YWDXIDXTYDHHII-UHFFFAOYSA-N 0 0 396.260 3.003 20 30 GGEDRN N#CCCN(CC(F)(F)F)C(=O)Cc1ccccc1I ZINC000125364182 564512251 /nfs/dbraw/zinc/51/22/51/564512251.db2.gz DHXDVCVGBFFRGO-UHFFFAOYSA-N 0 0 396.150 3.138 20 30 GGEDRN Cc1cc(Br)c(S(=O)(=O)N[C@H](C)CC#N)cc1Br ZINC000125418927 564513925 /nfs/dbraw/zinc/51/39/25/564513925.db2.gz RIRPBEDGSQIOBT-MRVPVSSYSA-N 0 0 396.104 3.101 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1 ZINC000125487534 564515695 /nfs/dbraw/zinc/51/56/95/564515695.db2.gz HQSBNABJQSOOHW-UHFFFAOYSA-N 0 0 379.507 3.157 20 30 GGEDRN N#CCCN(Cc1ccco1)C(=O)Cc1ccccc1I ZINC000125483584 564515902 /nfs/dbraw/zinc/51/59/02/564515902.db2.gz WCZOXSZIHKKZLR-UHFFFAOYSA-N 0 0 394.212 3.369 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)Cc2ccccc2I)n1 ZINC000125541206 564517347 /nfs/dbraw/zinc/51/73/47/564517347.db2.gz OTADJTQVZIOEDH-UHFFFAOYSA-N 0 0 394.216 3.121 20 30 GGEDRN N#Cc1ccc(Cn2cc(Br)cc(Br)c2=O)c(F)c1 ZINC000125522531 564517812 /nfs/dbraw/zinc/51/78/12/564517812.db2.gz SQSZWJFPQQXQOP-UHFFFAOYSA-N 0 0 386.018 3.432 20 30 GGEDRN COc1cc(C#N)ccc1CN(C)[C@@H](CO)c1cccc(Br)c1 ZINC000125566076 564518419 /nfs/dbraw/zinc/51/84/19/564518419.db2.gz IAKMNNXJBMQJLC-KRWDZBQOSA-N 0 0 375.266 3.495 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)NCc1cccc(Br)c1 ZINC000047445988 564520802 /nfs/dbraw/zinc/52/08/02/564520802.db2.gz AAQXOOIFVUAKPQ-UHFFFAOYSA-N 0 0 375.222 3.025 20 30 GGEDRN N#Cc1cccc(CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)c1 ZINC000047474790 564521597 /nfs/dbraw/zinc/52/15/97/564521597.db2.gz FUEUIIVQULIWED-UHFFFAOYSA-N 0 0 381.233 3.436 20 30 GGEDRN C=C[C@@H](C)NS(=O)(=O)c1cc(Br)c(C)cc1Br ZINC000125705050 564523832 /nfs/dbraw/zinc/52/38/32/564523832.db2.gz RILQGRGLGWFHRV-MRVPVSSYSA-N 0 0 383.105 3.373 20 30 GGEDRN Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)c1C#N ZINC000125762522 564525702 /nfs/dbraw/zinc/52/57/02/564525702.db2.gz UTMQYZQDEGEJOI-ZBFHGGJFSA-N 0 0 376.503 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N#Cc1cccc(S(=O)(=O)NC2(c3ccc(Br)cc3)CC2)c1 ZINC000048277592 564535470 /nfs/dbraw/zinc/53/54/70/564535470.db2.gz KXMOBCWSHUJOSN-UHFFFAOYSA-N 0 0 377.263 3.288 20 30 GGEDRN Cc1ccccc1N1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000126076276 564536090 /nfs/dbraw/zinc/53/60/90/564536090.db2.gz HOLSTFXSYWTXSQ-UHFFFAOYSA-N 0 0 375.881 3.031 20 30 GGEDRN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1cccc(C#N)c1 ZINC000048365943 564537591 /nfs/dbraw/zinc/53/75/91/564537591.db2.gz OZXPPEBGAFRVND-SECBINFHSA-N 0 0 378.251 3.139 20 30 GGEDRN CS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000126212785 564540726 /nfs/dbraw/zinc/54/07/26/564540726.db2.gz IKXUTJARSBVGOH-UHFFFAOYSA-N 0 0 377.853 3.078 20 30 GGEDRN N#Cc1ccc(CN2CCN(C(=O)c3sccc3Br)CC2)cc1 ZINC000048562997 564542647 /nfs/dbraw/zinc/54/26/47/564542647.db2.gz RDOPRXNTXPAAST-UHFFFAOYSA-N 0 0 390.306 3.340 20 30 GGEDRN N#CCCCCS(=O)(=O)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000126260863 564543043 /nfs/dbraw/zinc/54/30/43/564543043.db2.gz SKZHGFQWACSURO-SFHVURJKSA-N 0 0 378.519 3.307 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000126318345 564544545 /nfs/dbraw/zinc/54/45/45/564544545.db2.gz LTCJJHLHBIBJMW-UHFFFAOYSA-N 0 0 388.240 3.422 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cncc(Br)c1 ZINC000126516132 564551603 /nfs/dbraw/zinc/55/16/03/564551603.db2.gz QHHZDHPFGQCIPT-UHFFFAOYSA-N 0 0 389.253 3.396 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1nnc(-c2ccccc2)s1 ZINC000126512322 564551746 /nfs/dbraw/zinc/55/17/46/564551746.db2.gz QUFVHZZMHDGUBV-UHFFFAOYSA-N 0 0 390.877 3.209 20 30 GGEDRN Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc(I)cc1 ZINC000049487721 564552061 /nfs/dbraw/zinc/55/20/61/564552061.db2.gz GMZOUBIUMWDPDK-UHFFFAOYSA-N 0 0 398.225 3.272 20 30 GGEDRN C[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(Cl)s1 ZINC000126540766 564552508 /nfs/dbraw/zinc/55/25/08/564552508.db2.gz RKRXEMQRKVLFTM-GFCCVEGCSA-N 0 0 375.885 3.261 20 30 GGEDRN N#CCN(CC#N)C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000126579227 564553970 /nfs/dbraw/zinc/55/39/70/564553970.db2.gz MIRWUSIPQCZSJE-UHFFFAOYSA-N 0 0 397.232 3.191 20 30 GGEDRN N#Cc1ccc(C(=O)Nc2nccn2Cc2ccc(Br)cc2)nc1 ZINC000126699294 564557781 /nfs/dbraw/zinc/55/77/81/564557781.db2.gz RWEYMEZZTDTIDT-UHFFFAOYSA-N 0 0 382.221 3.213 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)CSc1nc2cc(Br)c(C)nc2[nH]1 ZINC000126690856 564558387 /nfs/dbraw/zinc/55/83/87/564558387.db2.gz HKXZKZXCEYUMKI-SECBINFHSA-N 0 0 396.314 3.129 20 30 GGEDRN COc1cc(C(=O)NCC#N)ccc1OCc1ccc(Br)cc1 ZINC000126745273 564560468 /nfs/dbraw/zinc/56/04/68/564560468.db2.gz WPHJXTLTUYYTQX-UHFFFAOYSA-N 0 0 375.222 3.290 20 30 GGEDRN N#Cc1ccc(NC(=O)CCn2cc(Br)ccc2=O)cc1Cl ZINC000126767539 564560549 /nfs/dbraw/zinc/56/05/49/564560549.db2.gz VUIXMAKJKGJFAC-UHFFFAOYSA-N 0 0 380.629 3.165 20 30 GGEDRN C=CCc1cc(CNC(=O)c2cc(Br)c[nH]2)cc(OC)c1OC ZINC000050860276 564560923 /nfs/dbraw/zinc/56/09/23/564560923.db2.gz MKEFUMUSRXUBKZ-UHFFFAOYSA-N 0 0 379.254 3.453 20 30 GGEDRN CCCc1nnc(NC(=O)CNC(=O)c2ccc(Br)s2)s1 ZINC000050980274 564561259 /nfs/dbraw/zinc/56/12/59/564561259.db2.gz FUAZTJNGGFQCEQ-UHFFFAOYSA-N 0 0 389.300 3.333 20 30 GGEDRN C=CCNc1nnc(SC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)s1 ZINC000051180881 564562124 /nfs/dbraw/zinc/56/21/24/564562124.db2.gz YCNCKXCJABWBGC-ZDUSSCGKSA-N 0 0 375.523 3.256 20 30 GGEDRN N#Cc1c(Cl)nsc1NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000051405247 564564266 /nfs/dbraw/zinc/56/42/66/564564266.db2.gz SFXSWKFCPIMEEN-UHFFFAOYSA-N 0 0 396.925 3.455 20 30 GGEDRN C=C(C)CNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000126837332 564564786 /nfs/dbraw/zinc/56/47/86/564564786.db2.gz GOHOMPUHEMTMQN-UHFFFAOYSA-N 0 0 381.263 3.427 20 30 GGEDRN CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2nnc(-c3ccsc3)s2)C1 ZINC000051642065 564566011 /nfs/dbraw/zinc/56/60/11/564566011.db2.gz IJNIOANTBDIALG-LLVKDONJSA-N 0 0 379.511 3.050 20 30 GGEDRN C=CCSCCNC(=O)Nc1cc(OC)ccc1I ZINC000051648688 564566134 /nfs/dbraw/zinc/56/61/34/564566134.db2.gz MNRPKSVXFSDEIC-UHFFFAOYSA-N 0 0 392.262 3.341 20 30 GGEDRN CS[C@H](C)CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000126881521 564566408 /nfs/dbraw/zinc/56/64/08/564566408.db2.gz COEANUZODZLUDR-CZUORRHYSA-N 0 0 396.354 3.300 20 30 GGEDRN CN(C)S(=O)(=O)c1cccc(CSCCOc2ccccc2C#N)c1 ZINC000126886049 564566840 /nfs/dbraw/zinc/56/68/40/564566840.db2.gz TULXHZDEWDVACC-UHFFFAOYSA-N 0 0 376.503 3.121 20 30 GGEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCc1nc(C2CC2)cs1 ZINC000126899838 564566945 /nfs/dbraw/zinc/56/69/45/564566945.db2.gz GMNRFRCODDYXHN-UHFFFAOYSA-N 0 0 387.408 3.389 20 30 GGEDRN N#CCSc1ccccc1NC(=O)CSc1nncn1CC(F)(F)F ZINC000051974607 564568528 /nfs/dbraw/zinc/56/85/28/564568528.db2.gz WXVGDSSLJDXISI-UHFFFAOYSA-N 0 0 387.412 3.187 20 30 GGEDRN CSc1nnc(CCCNC(=O)c2sccc2C#N)n1C1CCCC1 ZINC000052034574 564568862 /nfs/dbraw/zinc/56/88/62/564568862.db2.gz LRMNYQAMCVLNDU-UHFFFAOYSA-N 0 0 375.523 3.411 20 30 GGEDRN COc1ccc(I)c(NC(=O)c2sccc2C#N)c1 ZINC000052050860 564569115 /nfs/dbraw/zinc/56/91/15/564569115.db2.gz ZVDGYUZIHMJVGA-UHFFFAOYSA-N 0 0 384.198 3.485 20 30 GGEDRN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)c1sccc1C#N ZINC000052031808 564569167 /nfs/dbraw/zinc/56/91/67/564569167.db2.gz DTAPWZAXKTWBOP-UHFFFAOYSA-N 0 0 377.491 3.209 20 30 GGEDRN N#Cc1ccsc1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000052033141 564569302 /nfs/dbraw/zinc/56/93/02/564569302.db2.gz XXVSXKSAXSWHHN-UHFFFAOYSA-N 0 0 379.235 3.083 20 30 GGEDRN N#Cc1ccsc1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000052028997 564569631 /nfs/dbraw/zinc/56/96/31/564569631.db2.gz XZPUSFGRLXXFKU-UHFFFAOYSA-N 0 0 392.278 3.471 20 30 GGEDRN N#Cc1ccsc1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000052033990 564569700 /nfs/dbraw/zinc/56/97/00/564569700.db2.gz RYGCWDOCSNQWNX-UHFFFAOYSA-N 0 0 396.335 3.402 20 30 GGEDRN CC[C@@](C)(C#N)NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000127023145 564570114 /nfs/dbraw/zinc/57/01/14/564570114.db2.gz XPGUHDNWMIPPEK-AWEZNQCLSA-N 0 0 383.271 3.302 20 30 GGEDRN CCCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1S[C@@H](C#N)CC ZINC000127029035 564570223 /nfs/dbraw/zinc/57/02/23/564570223.db2.gz NHMQOAQJJGYTBF-CYBMUJFWSA-N 0 0 380.539 3.481 20 30 GGEDRN CCOc1ccccc1C(=O)N1CCN(c2snc(Cl)c2C#N)CC1 ZINC000052428188 564571492 /nfs/dbraw/zinc/57/14/92/564571492.db2.gz XZTXLTHJWQFVKV-UHFFFAOYSA-N 0 0 376.869 3.029 20 30 GGEDRN C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)N(C)CCC#N ZINC000052428790 564571528 /nfs/dbraw/zinc/57/15/28/564571528.db2.gz CHEOSAIIVWRTKK-NSHDSACASA-N 0 0 380.857 3.155 20 30 GGEDRN N#Cc1c(Cl)nsc1NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000052358612 564571706 /nfs/dbraw/zinc/57/17/06/564571706.db2.gz SITOSBPROOZZHJ-UHFFFAOYSA-N 0 0 382.898 3.065 20 30 GGEDRN N#Cc1ccc(NCC(=O)Nc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000052464847 564572287 /nfs/dbraw/zinc/57/22/87/564572287.db2.gz VTWYPSOYLJYTMX-UHFFFAOYSA-N 0 0 375.182 3.280 20 30 GGEDRN C=CCn1c(=O)c2ccsc2nc1Sc1nc2sccn2c1[N+](=O)[O-] ZINC000052712807 564576677 /nfs/dbraw/zinc/57/66/77/564576677.db2.gz NQEQQKOCCIHTTA-UHFFFAOYSA-N 0 0 391.459 3.413 20 30 GGEDRN C=CCn1nnnc1S[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000052910422 564578252 /nfs/dbraw/zinc/57/82/52/564578252.db2.gz OGZHKWVZAIYQQF-JTQLQIEISA-N 0 0 382.287 3.049 20 30 GGEDRN C[C@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)N(C)CCC#N ZINC000053010120 564581249 /nfs/dbraw/zinc/58/12/49/564581249.db2.gz GUNPDNRTHCXQEC-NSHDSACASA-N 0 0 379.486 3.142 20 30 GGEDRN N#Cc1nncn1CC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000053225012 564583068 /nfs/dbraw/zinc/58/30/68/564583068.db2.gz YSGCFISIZRBVPL-UHFFFAOYSA-N 0 0 398.220 3.343 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)CSc1nnc(-c2ccccc2Cl)n1C ZINC000053221610 564583070 /nfs/dbraw/zinc/58/30/70/564583070.db2.gz ZIMJSYPEXMLYKO-LBPRGKRZSA-N 0 0 377.901 3.236 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)CSc1nnc(-c2ccccc2Cl)n1C ZINC000053221612 564583250 /nfs/dbraw/zinc/58/32/50/564583250.db2.gz ZIMJSYPEXMLYKO-GFCCVEGCSA-N 0 0 377.901 3.236 20 30 GGEDRN C=CCNc1nnc(SCC(=O)N[C@H](C)Cc2c(F)cccc2F)s1 ZINC000053280715 564583950 /nfs/dbraw/zinc/58/39/50/564583950.db2.gz GLCZOHVFNDFBNJ-SNVBAGLBSA-N 0 0 384.477 3.254 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)CSc1nnc(NCc2ccccc2)s1 ZINC000053395603 564587129 /nfs/dbraw/zinc/58/71/29/564587129.db2.gz RBYJSQUXGAJIPF-ZDUSSCGKSA-N 0 0 375.523 3.250 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000053582288 564591037 /nfs/dbraw/zinc/59/10/37/564591037.db2.gz VNOZXKJNGMXYKA-LBPRGKRZSA-N 0 0 375.523 3.442 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccc(-c2ccco2)[nH]c1=O)c1cccc(Br)c1 ZINC000127672694 564591399 /nfs/dbraw/zinc/59/13/99/564591399.db2.gz OVNUJWQPJCTQIZ-OAHLLOKOSA-N 0 0 398.216 3.392 20 30 GGEDRN CCCC(=O)N1CCC[C@@H](C(=O)N[C@@H](C#N)c2cccc(Br)c2)C1 ZINC000127667345 564591470 /nfs/dbraw/zinc/59/14/70/564591470.db2.gz ZPYFVFXHIIZEOB-ZBFHGGJFSA-N 0 0 392.297 3.169 20 30 GGEDRN N#C[C@H](NC(=O)c1ccc(-c2ccco2)[nH]c1=O)c1cccc(Br)c1 ZINC000127672914 564591741 /nfs/dbraw/zinc/59/17/41/564591741.db2.gz OVNUJWQPJCTQIZ-HNNXBMFYSA-N 0 0 398.216 3.392 20 30 GGEDRN C[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000127660521 564591751 /nfs/dbraw/zinc/59/17/51/564591751.db2.gz ONKKNFIVWPKRIQ-WBMJQRKESA-N 0 0 392.297 3.215 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)CSc1nnc(NCCc2cccs2)s1 ZINC000053656942 564592101 /nfs/dbraw/zinc/59/21/01/564592101.db2.gz DIVUYLKGRZQQFM-LBPRGKRZSA-N 0 0 395.579 3.354 20 30 GGEDRN CCc1ccc(S(C)(=O)=O)cc1C(=O)N(C)c1cc(Cl)ccc1C#N ZINC000127706760 564592474 /nfs/dbraw/zinc/59/24/74/564592474.db2.gz CRDBVLFTSNPCPM-UHFFFAOYSA-N 0 0 376.865 3.454 20 30 GGEDRN N#C[C@@H](NC(=O)c1cn(-c2ccccc2)nn1)c1cccc(Br)c1 ZINC000127736047 564593476 /nfs/dbraw/zinc/59/34/76/564593476.db2.gz HNDJYHMUEYJCHA-OAHLLOKOSA-N 0 0 382.221 3.024 20 30 GGEDRN CN(CCC#N)S(=O)(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000127730781 564593545 /nfs/dbraw/zinc/59/35/45/564593545.db2.gz NMQBCQWLVCAXDJ-QGZVFWFLSA-N 0 0 381.860 3.248 20 30 GGEDRN C[S@](=O)Cc1cccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 ZINC000127773808 564594959 /nfs/dbraw/zinc/59/49/59/564594959.db2.gz BSYJHSATCKPTCA-QMHKHESXSA-N 0 0 391.290 3.322 20 30 GGEDRN N#C[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(Br)c1 ZINC000127772930 564595357 /nfs/dbraw/zinc/59/53/57/564595357.db2.gz ZRAGOFMQYJMVSH-INIZCTEOSA-N 0 0 384.233 3.328 20 30 GGEDRN C[S@@](=O)c1ccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1 ZINC000127756864 564595501 /nfs/dbraw/zinc/59/55/01/564595501.db2.gz YEOWREVKHOFQBB-NYHFZMIOSA-N 0 0 377.263 3.181 20 30 GGEDRN CN(CC(=O)Nc1ccc(Cl)c(C#N)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000053887714 564595979 /nfs/dbraw/zinc/59/59/79/564595979.db2.gz NRZDHAXIQKAHCT-UHFFFAOYSA-N 0 0 398.271 3.124 20 30 GGEDRN COc1ccc(OC)c(CC(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 ZINC000127781845 564596138 /nfs/dbraw/zinc/59/61/38/564596138.db2.gz NGTNJTFUESHXFE-INIZCTEOSA-N 0 0 389.249 3.390 20 30 GGEDRN CC(=O)NCc1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc1 ZINC000127794877 564596162 /nfs/dbraw/zinc/59/61/62/564596162.db2.gz KGSAZNKYFWTWIV-QGZVFWFLSA-N 0 0 386.249 3.080 20 30 GGEDRN CC(=O)c1cccc(OCC(=O)N[C@H](C#N)c2cccc(Br)c2)c1 ZINC000127827309 564598217 /nfs/dbraw/zinc/59/82/17/564598217.db2.gz LKZVQLXTOSXLJF-QGZVFWFLSA-N 0 0 387.233 3.412 20 30 GGEDRN COc1cccc(OCC(=O)N[C@H](C#N)c2cccc(Br)c2)c1 ZINC000127841502 564598241 /nfs/dbraw/zinc/59/82/41/564598241.db2.gz KYXKZFPPRJXSRQ-MRXNPFEDSA-N 0 0 375.222 3.218 20 30 GGEDRN COc1cccc(OCC(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 ZINC000127841247 564598372 /nfs/dbraw/zinc/59/83/72/564598372.db2.gz KYXKZFPPRJXSRQ-INIZCTEOSA-N 0 0 375.222 3.218 20 30 GGEDRN CC[C@@H](CC#N)NS(=O)(=O)c1ccc(Br)cc1Br ZINC000054184943 564600294 /nfs/dbraw/zinc/60/02/94/564600294.db2.gz DYXGXTGLRZVAJF-VIFPVBQESA-N 0 0 396.104 3.182 20 30 GGEDRN N#Cc1ccnc(N2CCN(Cc3ccc(F)c(Br)c3)CC2)c1 ZINC000054173530 564600762 /nfs/dbraw/zinc/60/07/62/564600762.db2.gz QNTDOHWPFDTSAM-UHFFFAOYSA-N 0 0 375.245 3.177 20 30 GGEDRN C=CCOc1ccc(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000054229049 564601384 /nfs/dbraw/zinc/60/13/84/564601384.db2.gz DGOITRKSCLREDG-UHFFFAOYSA-N 0 0 379.865 3.109 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)NCc1ccc(F)cc1Br ZINC000054263735 564602022 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378.719 3.278 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)c1 ZINC000066727211 564773980 /nfs/dbraw/zinc/77/39/80/564773980.db2.gz VGDQSHKZZLNADX-CYBMUJFWSA-N 0 0 380.491 3.009 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000066800896 564775332 /nfs/dbraw/zinc/77/53/32/564775332.db2.gz SARGBRXVDJMXOA-LBPRGKRZSA-N 0 0 378.475 3.471 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000066801583 564775559 /nfs/dbraw/zinc/77/55/59/564775559.db2.gz JQVQKIDINNZKQL-DFHBCGBQSA-N 0 0 375.519 3.473 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066851030 564776707 /nfs/dbraw/zinc/77/67/07/564776707.db2.gz BXCLGMBIBUHLBZ-GUYCJALGSA-N 0 0 384.307 3.375 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCO[C@H](c3ccccc3F)C2)cc1Cl ZINC000066933638 564778269 /nfs/dbraw/zinc/77/82/69/564778269.db2.gz ZJORQXBWUHWOAW-KRWDZBQOSA-N 0 0 380.828 3.113 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000066933560 564778863 /nfs/dbraw/zinc/77/88/63/564778863.db2.gz XIUQLHVURKDGRK-KRWDZBQOSA-N 0 0 380.828 3.113 20 30 GGEDRN N#CCN(C(=O)COc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000133677112 564781887 /nfs/dbraw/zinc/78/18/87/564781887.db2.gz VCRGHQAJJHZTCG-UHFFFAOYSA-N 0 0 390.193 3.293 20 30 GGEDRN N#Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000133701440 564782601 /nfs/dbraw/zinc/78/26/01/564782601.db2.gz SYDVKGHTWCUFLD-UHFFFAOYSA-N 0 0 376.166 3.246 20 30 GGEDRN C=CCC[C@H](NC(=O)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000133826554 564786101 /nfs/dbraw/zinc/78/61/01/564786101.db2.gz VOUXKZOJPSLQIB-INIZCTEOSA-N 0 0 375.266 3.435 20 30 GGEDRN CNS(=O)(=O)c1ccc(CNc2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000067348692 564789280 /nfs/dbraw/zinc/78/92/80/564789280.db2.gz CJFAZZPZRUWSLR-UHFFFAOYSA-N 0 0 375.397 3.159 20 30 GGEDRN N#Cc1nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)ccc1Cl ZINC000067371850 564790680 /nfs/dbraw/zinc/79/06/80/564790680.db2.gz UIEGTPZSWUQOQE-UHFFFAOYSA-N 0 0 379.222 3.362 20 30 GGEDRN 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C=CCN(C(=O)CC1(CSc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000185732569 565219460 /nfs/dbraw/zinc/21/94/60/565219460.db2.gz FYGGGCKGCMHKED-MRXNPFEDSA-N 0 0 379.547 3.151 20 30 GGEDRN C=CCN(C(=O)c1ccc(OCCCC)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000185732707 565219564 /nfs/dbraw/zinc/21/95/64/565219564.db2.gz VFZPVCTYAUATDQ-CQSZACIVSA-N 0 0 385.913 3.334 20 30 GGEDRN CCc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc(C#N)cc2OC)s1 ZINC000185753288 565220480 /nfs/dbraw/zinc/22/04/80/565220480.db2.gz CTTJBIATWHDNCN-LBPRGKRZSA-N 0 0 379.507 3.276 20 30 GGEDRN C=CCN(C(=O)Nc1cccc(C2SCCS2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000270598623 565224006 /nfs/dbraw/zinc/22/40/06/565224006.db2.gz XSQHQKQGHFNTFV-HNNXBMFYSA-N 0 0 398.575 3.372 20 30 GGEDRN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2ccc(Br)cc2C#N)C1 ZINC000372160289 565224436 /nfs/dbraw/zinc/22/44/36/565224436.db2.gz KVMVALBAGFUYMS-LBPRGKRZSA-N 0 0 388.269 3.386 20 30 GGEDRN N#Cc1cc(Br)ccc1C(=O)N1CCCN(c2nccs2)CC1 ZINC000294710611 565224630 /nfs/dbraw/zinc/22/46/30/565224630.db2.gz LVHYIRYECFVRNZ-UHFFFAOYSA-N 0 0 391.294 3.130 20 30 GGEDRN CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1Cl ZINC000159939835 565225172 /nfs/dbraw/zinc/22/51/72/565225172.db2.gz SETNZMZTNWBEJP-UHFFFAOYSA-N 0 0 384.244 3.489 20 30 GGEDRN COCCN(CCC#N)C(=O)c1cc(Br)ccc1Br ZINC000159940701 565225522 /nfs/dbraw/zinc/22/55/22/565225522.db2.gz BKVFJGLCOWXVLR-UHFFFAOYSA-N 0 0 390.075 3.214 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000185893088 565227235 /nfs/dbraw/zinc/22/72/35/565227235.db2.gz IOGXZOKVLQEILZ-NVXWUHKLSA-N 0 0 376.865 3.410 20 30 GGEDRN Cc1c(Br)cc(C#N)c(=O)n1Cc1noc(C2CCCCC2)n1 ZINC000185925697 565228388 /nfs/dbraw/zinc/22/83/88/565228388.db2.gz PHKZNZOGTIPUAQ-UHFFFAOYSA-N 0 0 377.242 3.270 20 30 GGEDRN CCCCN(CCCC)C(=O)Cn1c(C)c(Br)cc(C#N)c1=O ZINC000185924836 565228397 /nfs/dbraw/zinc/22/83/97/565228397.db2.gz RXWODUVZXKYKJJ-UHFFFAOYSA-N 0 0 382.302 3.220 20 30 GGEDRN Cc1c(Br)cc(C#N)c(=O)n1Cc1csc(-c2ccccn2)n1 ZINC000185924555 565228584 /nfs/dbraw/zinc/22/85/84/565228584.db2.gz JMETZWQTVPREGX-UHFFFAOYSA-N 0 0 387.262 3.358 20 30 GGEDRN N#CCC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000185925358 565228993 /nfs/dbraw/zinc/22/89/93/565228993.db2.gz MZWRIDWKWCIIGQ-CYBMUJFWSA-N 0 0 375.226 3.000 20 30 GGEDRN Cc1c(Br)cc(C#N)c(=O)n1Cc1nc(C(F)(F)F)cs1 ZINC000185922686 565229066 /nfs/dbraw/zinc/22/90/66/565229066.db2.gz UENIJLZBTZINAR-UHFFFAOYSA-N 0 0 378.173 3.315 20 30 GGEDRN CCS[C@H](C)c1noc(Cn2c(C)c(Br)cc(C#N)c2=O)n1 ZINC000185942722 565229499 /nfs/dbraw/zinc/22/94/99/565229499.db2.gz UVDDZYNWUHVEHA-SECBINFHSA-N 0 0 383.271 3.036 20 30 GGEDRN Cc1cccc(Cl)c1NC(=O)Cn1c(C)c(Br)cc(C#N)c1=O ZINC000185928589 565229533 /nfs/dbraw/zinc/22/95/33/565229533.db2.gz RJRNLRVNTJPEBS-UHFFFAOYSA-N 0 0 394.656 3.391 20 30 GGEDRN Cc1cc(Cl)ccc1NC(=O)Cn1c(C)c(Br)cc(C#N)c1=O ZINC000185939247 565230023 /nfs/dbraw/zinc/23/00/23/565230023.db2.gz CZVZRERMWYMFGC-UHFFFAOYSA-N 0 0 394.656 3.391 20 30 GGEDRN Cc1c(Br)cc(C#N)c(=O)n1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185931358 565230031 /nfs/dbraw/zinc/23/00/31/565230031.db2.gz LEEVIIGAKRLOJV-UHFFFAOYSA-N 0 0 382.601 3.401 20 30 GGEDRN CC#CCCCC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000185974004 565232387 /nfs/dbraw/zinc/23/23/87/565232387.db2.gz QODIBHKCQIXCJW-GOSISDBHSA-N 0 0 388.309 3.352 20 30 GGEDRN C#CCCCSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)o1 ZINC000270922544 565232924 /nfs/dbraw/zinc/23/29/24/565232924.db2.gz ZUOHMCPGVVJPJZ-UHFFFAOYSA-N 0 0 379.507 3.273 20 30 GGEDRN N#Cc1cccc([C@H]2CN(C(=O)Nc3cccnc3Br)CCO2)c1 ZINC000372342010 565232979 /nfs/dbraw/zinc/23/29/79/565232979.db2.gz MMSLOQMWHHBKFX-OAHLLOKOSA-N 0 0 387.237 3.321 20 30 GGEDRN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1Nc1ncc(Br)cc1C#N ZINC000294880628 565233123 /nfs/dbraw/zinc/23/31/23/565233123.db2.gz FNAUJOWPKDRRFT-ZFWWWQNUSA-N 0 0 376.258 3.008 20 30 GGEDRN CS(=O)(=O)C1(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)CCCC1 ZINC000271006574 565234447 /nfs/dbraw/zinc/23/44/47/565234447.db2.gz NSKMLTBAWBANBP-GFCCVEGCSA-N 0 0 375.277 3.032 20 30 GGEDRN Cc1cc(NC(=O)c2cc(I)ccc2C)nn1CCC#N ZINC000270996333 565234505 /nfs/dbraw/zinc/23/45/05/565234505.db2.gz CODWOVJDLNEJOB-UHFFFAOYSA-N 0 0 394.216 3.271 20 30 GGEDRN Cc1cc(N[C@H](C)C(=O)Nc2ccc(Br)cc2)nn1CCC#N ZINC000271010894 565234554 /nfs/dbraw/zinc/23/45/54/565234554.db2.gz JRIPVIZPFARKIK-GFCCVEGCSA-N 0 0 376.258 3.307 20 30 GGEDRN C=CCn1c(=O)c2ccc(Cl)cc2nc1SC[C@H]1CCNC(=O)CC1 ZINC000294888367 565234641 /nfs/dbraw/zinc/23/46/41/565234641.db2.gz GRNQUXMMWTWXEE-GFCCVEGCSA-N 0 0 377.897 3.244 20 30 GGEDRN Cc1cc(N[C@H](C)C(=O)Nc2cccc(Br)c2)nn1CCC#N ZINC000271010841 565234975 /nfs/dbraw/zinc/23/49/75/565234975.db2.gz JQDUZZVBWPESCL-GFCCVEGCSA-N 0 0 376.258 3.307 20 30 GGEDRN C=CCN(C(=O)Cc1csc2ccc(Cl)cc12)[C@@H]1CCS(=O)(=O)C1 ZINC000160189404 565235236 /nfs/dbraw/zinc/23/52/36/565235236.db2.gz UIXDXCWJQCKNQX-CQSZACIVSA-N 0 0 383.922 3.299 20 30 GGEDRN Cn1c(CSc2nc3ccccc3s2)nnc1SC[C@H](O)CC#N ZINC000294915330 565235829 /nfs/dbraw/zinc/23/58/29/565235829.db2.gz JKUWXIXDSYQEBH-SNVBAGLBSA-N 0 0 377.520 3.084 20 30 GGEDRN Cc1cc(N[C@@H](C)C(=O)Nc2ccccc2Br)nn1CCC#N ZINC000271010966 565235838 /nfs/dbraw/zinc/23/58/38/565235838.db2.gz JUXOQPQZVQFPQT-LBPRGKRZSA-N 0 0 376.258 3.307 20 30 GGEDRN CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000271035385 565236412 /nfs/dbraw/zinc/23/64/12/565236412.db2.gz KANQUBCNERQRRL-HZPDHXFCSA-N 0 0 392.297 3.167 20 30 GGEDRN CS(=O)(=O)C1(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)CCCC1 ZINC000271018875 565236461 /nfs/dbraw/zinc/23/64/61/565236461.db2.gz ARLCWIBZMMZLPY-CYBMUJFWSA-N 0 0 375.277 3.032 20 30 GGEDRN CC[C@@H](NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)c1ccc(Cl)s1 ZINC000271066576 565237728 /nfs/dbraw/zinc/23/77/28/565237728.db2.gz MTBMYZUMVGLSGJ-LLVKDONJSA-N 0 0 379.873 3.026 20 30 GGEDRN CC(C)[C@H](C)N(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C1CC1 ZINC000294957925 565238235 /nfs/dbraw/zinc/23/82/35/565238235.db2.gz YWPAAKYWSIDRAD-NSHDSACASA-N 0 0 378.270 3.295 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000186083974 565238420 /nfs/dbraw/zinc/23/84/20/565238420.db2.gz FBJOBDYYETZJGP-HNNXBMFYSA-N 0 0 395.937 3.389 20 30 GGEDRN Cc1cc(NC(=O)CSCC(=O)c2ccc(Cl)cc2)nn1CCC#N ZINC000271086669 565238507 /nfs/dbraw/zinc/23/85/07/565238507.db2.gz SXXFOFGJUBZRIF-UHFFFAOYSA-N 0 0 376.869 3.313 20 30 GGEDRN CC#CCCCC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000186070952 565238498 /nfs/dbraw/zinc/23/84/98/565238498.db2.gz OLTMBQAORLLJHN-INIZCTEOSA-N 0 0 377.282 3.173 20 30 GGEDRN Cc1cc(Br)cc2cc(C(=O)NC[C@H]3CCCN(CC#N)C3)oc21 ZINC000271103569 565238581 /nfs/dbraw/zinc/23/85/81/565238581.db2.gz QIRXMNMCAFENDP-CYBMUJFWSA-N 0 0 390.281 3.469 20 30 GGEDRN N#C[C@]1(NC(=O)c2cc(Br)ccc2Br)CCSC1 ZINC000160272723 565238579 /nfs/dbraw/zinc/23/85/79/565238579.db2.gz RSEZXRKKNWPCQI-GFCCVEGCSA-N 0 0 390.100 3.341 20 30 GGEDRN C=C(C)[C@H](NC(=O)Cn1cc(Br)ccc1=O)c1ccc(F)c(F)c1 ZINC000186078725 565238568 /nfs/dbraw/zinc/23/85/68/565238568.db2.gz QLEIGFMIUOZEBS-KRWDZBQOSA-N 0 0 397.219 3.323 20 30 GGEDRN Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2Br)nn1CCC#N ZINC000271126842 565239823 /nfs/dbraw/zinc/23/98/23/565239823.db2.gz LJBRSSNNIPFYHO-GFCCVEGCSA-N 0 0 377.242 3.274 20 30 GGEDRN Cc1cc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)nn1CCC#N ZINC000271153228 565239906 /nfs/dbraw/zinc/23/99/06/565239906.db2.gz UCWPGJBNUZJXTL-LLVKDONJSA-N 0 0 395.232 3.413 20 30 GGEDRN COc1cc(C(=O)Nc2cc(C)n(CCC#N)n2)cc(OC)c1Br ZINC000271148888 565240118 /nfs/dbraw/zinc/24/01/18/565240118.db2.gz SITSYUANSYGDIU-UHFFFAOYSA-N 0 0 393.241 3.137 20 30 GGEDRN Cc1cc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)nn1CCC#N ZINC000271167405 565241756 /nfs/dbraw/zinc/24/17/56/565241756.db2.gz XIUPEGCCHOAEOP-GFCCVEGCSA-N 0 0 377.242 3.274 20 30 GGEDRN N#CC1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000160390818 565242999 /nfs/dbraw/zinc/24/29/99/565242999.db2.gz AJRRITIDNKRUCZ-UHFFFAOYSA-N 0 0 381.654 3.166 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)CN1CCc2c(Br)ccc(F)c2C1 ZINC000186195587 565246286 /nfs/dbraw/zinc/24/62/86/565246286.db2.gz TZJFWPZWUTVZMI-KRWDZBQOSA-N 0 0 382.277 3.001 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)CC1CCS(=O)(=O)CC1 ZINC000271313939 565246942 /nfs/dbraw/zinc/24/69/42/565246942.db2.gz RUMJULBJZARHMO-UHFFFAOYSA-N 0 0 390.318 3.401 20 30 GGEDRN C#CCOc1ccc(CNCc2cccc(Cl)c2S(=O)(=O)CC)cc1 ZINC000295131331 565247159 /nfs/dbraw/zinc/24/71/59/565247159.db2.gz YMNKDRPYEZCNNF-UHFFFAOYSA-N 0 0 377.893 3.435 20 30 GGEDRN CN(Cc1ccc(OCC(F)(F)F)cc1)S(=O)(=O)CC(C)(C)CC#N ZINC000295154320 565248335 /nfs/dbraw/zinc/24/83/35/565248335.db2.gz ANIBASOFCQZQDG-UHFFFAOYSA-N 0 0 378.416 3.329 20 30 GGEDRN C[C@@H]1CN(c2snc(Cl)c2C#N)CCN1c1snc(Cl)c1C#N ZINC000271337741 565248669 /nfs/dbraw/zinc/24/86/69/565248669.db2.gz REHGXWQCYVEHPE-SSDOTTSWSA-N 0 0 385.305 3.365 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000186241870 565248829 /nfs/dbraw/zinc/24/88/29/565248829.db2.gz UOFDVFDVHSGYHL-INIZCTEOSA-N 0 0 380.828 3.113 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1Br ZINC000295164920 565249248 /nfs/dbraw/zinc/24/92/48/565249248.db2.gz PFJVTWZBYRNNQS-ZBEGNZNMSA-N 0 0 384.270 3.177 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(OC)c(OC)cc1Br ZINC000295164916 565249332 /nfs/dbraw/zinc/24/93/32/565249332.db2.gz PFJVTWZBYRNNQS-BZNIZROVSA-N 0 0 384.270 3.177 20 30 GGEDRN C=CCN(CC(=O)Nc1cc(C)nn1C)Cc1cc(Br)ccc1F ZINC000160531797 565249582 /nfs/dbraw/zinc/24/95/82/565249582.db2.gz GXHHLTYTJNFKDD-UHFFFAOYSA-N 0 0 395.276 3.257 20 30 GGEDRN CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000186268110 565250470 /nfs/dbraw/zinc/25/04/70/565250470.db2.gz YZQDGNQOVLXAMJ-UHFFFAOYSA-N 0 0 398.271 3.124 20 30 GGEDRN COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000160550950 565250726 /nfs/dbraw/zinc/25/07/26/565250726.db2.gz ZKHMFDJBWSHLRN-CQSZACIVSA-N 0 0 376.865 3.398 20 30 GGEDRN C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1cc(Cl)ccc1Cl ZINC000186273415 565251136 /nfs/dbraw/zinc/25/11/36/565251136.db2.gz YRNNWYJYIYRCRK-LLVKDONJSA-N 0 0 376.243 3.472 20 30 GGEDRN C=CCN(Cc1cccs1)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000186281409 565252293 /nfs/dbraw/zinc/25/22/93/565252293.db2.gz DCTGCUMYDHMWLM-UHFFFAOYSA-N 0 0 386.426 3.181 20 30 GGEDRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000186292864 565253408 /nfs/dbraw/zinc/25/34/08/565253408.db2.gz CJNJGTXUEJXRHT-QGZVFWFLSA-N 0 0 390.281 3.417 20 30 GGEDRN C=CCN(C(=O)Nc1cc(Br)ccc1N1CCOCC1)C1CC1 ZINC000271439954 565253424 /nfs/dbraw/zinc/25/34/24/565253424.db2.gz BRJQIQJFDNXVCD-UHFFFAOYSA-N 0 0 380.286 3.468 20 30 GGEDRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc(C#N)c[nH]1 ZINC000186294474 565253524 /nfs/dbraw/zinc/25/35/24/565253524.db2.gz XRGUYFAZVKOLDH-MRXNPFEDSA-N 0 0 390.281 3.417 20 30 GGEDRN CCOc1ccc(S(=O)(=O)N[C@@H](C#N)C(C)(C)C)cc1Br ZINC000160659112 565255520 /nfs/dbraw/zinc/25/55/20/565255520.db2.gz YQHQBIDWDDVPDX-ZDUSSCGKSA-N 0 0 375.288 3.064 20 30 GGEDRN N#CCCn1ccc(=NC(=O)N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)[nH]1 ZINC000372823941 565255634 /nfs/dbraw/zinc/25/56/34/565255634.db2.gz JWXZJUAFWZPLTG-GFCCVEGCSA-N 0 0 380.235 3.171 20 30 GGEDRN CCOc1ccc(S(=O)(=O)N[C@H](C#N)C(C)(C)C)cc1Br ZINC000160659255 565255645 /nfs/dbraw/zinc/25/56/45/565255645.db2.gz YQHQBIDWDDVPDX-CYBMUJFWSA-N 0 0 375.288 3.064 20 30 GGEDRN CC(C)CS(=O)(=O)CCC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000160710259 565256639 /nfs/dbraw/zinc/25/66/39/565256639.db2.gz WYCFOFQOOBODDD-UHFFFAOYSA-N 0 0 377.491 3.081 20 30 GGEDRN CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H]1CCS(=O)(=O)C1 ZINC000271537915 565258120 /nfs/dbraw/zinc/25/81/20/565258120.db2.gz MAIPKVQELPBNQK-KBPBESRZSA-N 0 0 381.523 3.122 20 30 GGEDRN N#CC1(NC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)CC1 ZINC000160756991 565258157 /nfs/dbraw/zinc/25/81/57/565258157.db2.gz PYRNZEFYTIYONE-UHFFFAOYSA-N 0 0 398.260 3.416 20 30 GGEDRN C[N@@H+](C[C@H](O)c1ccccc1Br)C[C@@H](O)c1ccc(C#N)cc1 ZINC000295314321 565259020 /nfs/dbraw/zinc/25/90/20/565259020.db2.gz LLNIGOYYKXRSID-MSOLQXFVSA-N 0 0 375.266 3.020 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N(Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000186406818 565259723 /nfs/dbraw/zinc/25/97/23/565259723.db2.gz SMMHBIINBUADQM-OAHLLOKOSA-N 0 0 380.853 3.175 20 30 GGEDRN CCCCCSCC(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000271591240 565260608 /nfs/dbraw/zinc/26/06/08/565260608.db2.gz FVIPXKBYCVCPQL-UHFFFAOYSA-N 0 0 383.539 3.019 20 30 GGEDRN CC[C@H](CC#N)NS(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000186433011 565261079 /nfs/dbraw/zinc/26/10/79/565261079.db2.gz OBPRTZRQDQRHAK-SECBINFHSA-N 0 0 381.679 3.082 20 30 GGEDRN N#CC1(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)CC1 ZINC000160854244 565262218 /nfs/dbraw/zinc/26/22/18/565262218.db2.gz SBXBZQUKHYNGLX-UHFFFAOYSA-N 0 0 384.233 3.487 20 30 GGEDRN Cc1csc([C@H](C)CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n1 ZINC000186486654 565263073 /nfs/dbraw/zinc/26/30/73/565263073.db2.gz UBXOMWSKEBWVDA-SECBINFHSA-N 0 0 389.424 3.424 20 30 GGEDRN Cc1csc([C@@H](NC(=O)CCOCC(F)(F)C(F)F)C(F)(F)F)n1 ZINC000295400268 565263390 /nfs/dbraw/zinc/26/33/90/565263390.db2.gz NVMXJRMJWQEESY-MRVPVSSYSA-N 0 0 382.301 3.478 20 30 GGEDRN N#C[C@H]1CSCCN1C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000271686090 565264757 /nfs/dbraw/zinc/26/47/57/565264757.db2.gz CZMSUTLNAKYEGY-AWEZNQCLSA-N 0 0 376.869 3.180 20 30 GGEDRN N#C[C@@H]1CSCCN1C(=O)c1ccc(Br)cc1Br ZINC000271698753 565264937 /nfs/dbraw/zinc/26/49/37/565264937.db2.gz GXTIGFWQNVNTIG-SECBINFHSA-N 0 0 390.100 3.293 20 30 GGEDRN Cc1ccc(-n2nc(Br)cc2C(=O)N2CCSC[C@H]2C#N)cc1 ZINC000271690074 565265092 /nfs/dbraw/zinc/26/50/92/565265092.db2.gz DXEUNERPFMNWJO-CYBMUJFWSA-N 0 0 391.294 3.024 20 30 GGEDRN Cc1cc(I)ccc1NC(=O)Nc1ccn(CCC#N)n1 ZINC000186515651 565265246 /nfs/dbraw/zinc/26/52/46/565265246.db2.gz VUSHDTNXRDMQCQ-UHFFFAOYSA-N 0 0 395.204 3.354 20 30 GGEDRN N#C[C@@H]1CSCCN1C(=O)c1ccc(Cl)c(I)c1 ZINC000271686039 565265257 /nfs/dbraw/zinc/26/52/57/565265257.db2.gz CYXCCDSZPRGGPK-SECBINFHSA-N 0 0 392.649 3.026 20 30 GGEDRN CCOC(=O)c1scnc1/C=C/C(=O)c1cc2c(s1)SCC(=O)N2 ZINC000373027854 565265444 /nfs/dbraw/zinc/26/54/44/565265444.db2.gz WVKDRMHBNCEGAA-ONEGZZNKSA-N 0 0 380.472 3.322 20 30 GGEDRN N#C[C@H]1CSCCN1C(=O)c1cc(Cl)ccc1I ZINC000271766746 565267046 /nfs/dbraw/zinc/26/70/46/565267046.db2.gz WRWPIKBRKBURTD-VIFPVBQESA-N 0 0 392.649 3.026 20 30 GGEDRN N#C[C@@H]1CSCCN1C(=O)c1cc(Cl)ccc1I ZINC000271766745 565267340 /nfs/dbraw/zinc/26/73/40/565267340.db2.gz WRWPIKBRKBURTD-SECBINFHSA-N 0 0 392.649 3.026 20 30 GGEDRN N#C[C@@H]1CSCCN1C(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000271768155 565267673 /nfs/dbraw/zinc/26/76/73/565267673.db2.gz WVIKIESSZYVACB-LLVKDONJSA-N 0 0 376.894 3.362 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(Cl)c1Cl ZINC000160988537 565267773 /nfs/dbraw/zinc/26/77/73/565267773.db2.gz OKUHFVWNFPKXQC-NSHDSACASA-N 0 0 376.247 3.006 20 30 GGEDRN N#C[C@H]1CSCCN1C(=O)c1cc(Br)sc1Br ZINC000271784883 565268838 /nfs/dbraw/zinc/26/88/38/565268838.db2.gz ZVYPSCPYGUZHKQ-LURJTMIESA-N 0 0 396.129 3.354 20 30 GGEDRN COc1cc(Br)c(NC(=O)Nc2ccn(CCC#N)n2)cc1OC ZINC000186574647 565269686 /nfs/dbraw/zinc/26/96/86/565269686.db2.gz ZHHDIRRMPODQKQ-UHFFFAOYSA-N 0 0 394.229 3.220 20 30 GGEDRN N#Cc1cc(Br)ccc1C(=O)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000295499339 565270330 /nfs/dbraw/zinc/27/03/30/565270330.db2.gz KBGJSJZDGAXMRI-LJQANCHMSA-N 0 0 385.261 3.097 20 30 GGEDRN COc1ccc(S(=O)(=O)N(C)C)cc1NCC#Cc1cccc(Cl)c1 ZINC000161096591 565272573 /nfs/dbraw/zinc/27/25/73/565272573.db2.gz YLYMTEMBWXHPGL-UHFFFAOYSA-N 0 0 378.881 3.063 20 30 GGEDRN N#Cc1c[nH]c(C(=O)NCc2cc(Br)ccc2Br)c1 ZINC000186636085 565273054 /nfs/dbraw/zinc/27/30/54/565273054.db2.gz GOJWGOZWIGDENL-UHFFFAOYSA-N 0 0 383.043 3.341 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccncc2)c(Cl)c1 ZINC000186650071 565274428 /nfs/dbraw/zinc/27/44/28/565274428.db2.gz CQXIFJFGZRIANQ-UHFFFAOYSA-N 0 0 375.759 3.364 20 30 GGEDRN N#CCSCC(=O)NCc1cc(Br)ccc1Br ZINC000186645604 565274703 /nfs/dbraw/zinc/27/47/03/565274703.db2.gz UAOPLPGMOBRBEL-UHFFFAOYSA-N 0 0 378.089 3.085 20 30 GGEDRN N#Cc1ccc(C(=O)NCc2cc(Br)ccc2Br)nc1 ZINC000186645813 565274887 /nfs/dbraw/zinc/27/48/87/565274887.db2.gz XEBSPUPIVRAXDR-UHFFFAOYSA-N 0 0 395.054 3.408 20 30 GGEDRN N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H](C#N)C2CCCCC2)c1 ZINC000161163268 565275202 /nfs/dbraw/zinc/27/52/02/565275202.db2.gz RSDLFGXPEBIPIB-HNNXBMFYSA-N 0 0 382.283 3.072 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)c2ccc(F)cc2I)n1 ZINC000161150021 565275221 /nfs/dbraw/zinc/27/52/21/565275221.db2.gz ZDZNBFYRAUIAOP-UHFFFAOYSA-N 0 0 398.179 3.332 20 30 GGEDRN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C#N)C2CCCCC2)cc1Cl ZINC000161160230 565275430 /nfs/dbraw/zinc/27/54/30/565275430.db2.gz YYDLMCBRINNCTJ-HNNXBMFYSA-N 0 0 387.864 3.188 20 30 GGEDRN C=CCN(C(=O)Nc1cc(-c2ccccc2)ns1)[C@@H]1CCS(=O)(=O)C1 ZINC000272052913 565275540 /nfs/dbraw/zinc/27/55/40/565275540.db2.gz QRJVHESUWVVKRL-CQSZACIVSA-N 0 0 377.491 3.017 20 30 GGEDRN N#Cc1cc(Br)cc(S(=O)(=O)N[C@H](C#N)C2CCCCC2)c1 ZINC000161163390 565275555 /nfs/dbraw/zinc/27/55/55/565275555.db2.gz RSDLFGXPEBIPIB-OAHLLOKOSA-N 0 0 382.283 3.072 20 30 GGEDRN Cc1cc(NC(=O)NCCNc2ncc(Cl)cc2Cl)nn1CCC#N ZINC000272069987 565275945 /nfs/dbraw/zinc/27/59/45/565275945.db2.gz KCTSFNCWHKKPPO-UHFFFAOYSA-N 0 0 382.255 3.041 20 30 GGEDRN N#C[C@@H](NS(=O)(=O)c1ccc(F)cc1Br)C1CCCCC1 ZINC000161176830 565276014 /nfs/dbraw/zinc/27/60/14/565276014.db2.gz NCFMCTMVQKWXFZ-CYBMUJFWSA-N 0 0 375.263 3.339 20 30 GGEDRN N#C[C@@H](NC(=O)CCc1cccc2c1OCO2)c1cccc(Br)c1 ZINC000186674562 565277123 /nfs/dbraw/zinc/27/71/23/565277123.db2.gz YJXFRIVKIYZZGX-OAHLLOKOSA-N 0 0 387.233 3.491 20 30 GGEDRN CO[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1(C)C ZINC000295637540 565278364 /nfs/dbraw/zinc/27/83/64/565278364.db2.gz CHECULMXXLATFZ-CQSZACIVSA-N 0 0 376.400 3.013 20 30 GGEDRN CO[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1(C)C ZINC000295637536 565278467 /nfs/dbraw/zinc/27/84/67/565278467.db2.gz CHECULMXXLATFZ-AWEZNQCLSA-N 0 0 376.400 3.013 20 30 GGEDRN CN(C[C@@H](O)C(F)(F)F)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000186697997 565279295 /nfs/dbraw/zinc/27/92/95/565279295.db2.gz JRNMXAABZSKETR-GHMZBOCLSA-N 0 0 376.272 3.384 20 30 GGEDRN N#Cc1ccccc1S(=O)(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000186702887 565279855 /nfs/dbraw/zinc/27/98/55/565279855.db2.gz BFLUFAQFQPZFKQ-UHFFFAOYSA-N 0 0 395.253 3.207 20 30 GGEDRN COc1ccc([C@H](C)NS(=O)(=O)CC(C)(C)CC#N)cc1Br ZINC000295679155 565280240 /nfs/dbraw/zinc/28/02/40/565280240.db2.gz CAVPGEMDCZCBEV-NSHDSACASA-N 0 0 389.315 3.378 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1F ZINC000161337643 565281725 /nfs/dbraw/zinc/28/17/25/565281725.db2.gz VRLVNCNNKRUXIL-CYBMUJFWSA-N 0 0 378.157 3.491 20 30 GGEDRN N#Cc1ccnc(NC2(Cc3ccc(F)cc3Br)CCOCC2)n1 ZINC000295684511 565281886 /nfs/dbraw/zinc/28/18/86/565281886.db2.gz MVWUHFORRJTRND-UHFFFAOYSA-N 0 0 391.244 3.454 20 30 GGEDRN N#C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1F ZINC000161337773 565282024 /nfs/dbraw/zinc/28/20/24/565282024.db2.gz VRLVNCNNKRUXIL-ZDUSSCGKSA-N 0 0 378.157 3.491 20 30 GGEDRN N#CCCn1ccc(NC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000161393128 565282918 /nfs/dbraw/zinc/28/29/18/565282918.db2.gz IMWPAGDEMBFCER-UHFFFAOYSA-N 0 0 382.251 3.130 20 30 GGEDRN COc1cc(Br)c(CN(CCC#N)Cc2ccccn2)cc1O ZINC000272312765 565283620 /nfs/dbraw/zinc/28/36/20/565283620.db2.gz RVWVEAYUXTXUAY-UHFFFAOYSA-N 0 0 376.254 3.474 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2CC(=O)c2ccco2)cc1Cl ZINC000272332894 565284783 /nfs/dbraw/zinc/28/47/83/565284783.db2.gz AGYALDRDUUDEFD-ZDUSSCGKSA-N 0 0 378.837 3.231 20 30 GGEDRN CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000373439779 565285162 /nfs/dbraw/zinc/28/51/62/565285162.db2.gz LXGCTCRADWZSFD-YJBOKZPZSA-N 0 0 392.297 3.013 20 30 GGEDRN C=CCN(C)C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000161503582 565286171 /nfs/dbraw/zinc/28/61/71/565286171.db2.gz VYNXUPFVBRPLBI-UHFFFAOYSA-N 0 0 391.320 3.039 20 30 GGEDRN CCN(CC#N)C(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000161555989 565287652 /nfs/dbraw/zinc/28/76/52/565287652.db2.gz FRGSTTNOPMQXOX-AWEZNQCLSA-N 0 0 388.320 3.217 20 30 GGEDRN Cc1cnc(N2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)s1 ZINC000295807821 565288312 /nfs/dbraw/zinc/28/83/12/565288312.db2.gz KYFFDHGTXRGNAF-UHFFFAOYSA-N 0 0 391.294 3.048 20 30 GGEDRN C[C@@H](C(=O)Nc1ccc(I)cc1)N1CCC(C)(C#N)CC1 ZINC000272562107 565290276 /nfs/dbraw/zinc/29/02/76/565290276.db2.gz LXCILQQSBCIYDB-LBPRGKRZSA-N 0 0 397.260 3.244 20 30 GGEDRN CC(C)(CC#N)CS(=O)(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000295861478 565290324 /nfs/dbraw/zinc/29/03/24/565290324.db2.gz DXWNKDINWSUXOD-CYBMUJFWSA-N 0 0 398.834 3.251 20 30 GGEDRN C[C@H](C(=O)Nc1ccc(I)cc1)N1CCC(C)(C#N)CC1 ZINC000272562106 565290385 /nfs/dbraw/zinc/29/03/85/565290385.db2.gz LXCILQQSBCIYDB-GFCCVEGCSA-N 0 0 397.260 3.244 20 30 GGEDRN N#CCN1CCC[C@H](CNC(=O)c2cc(Cl)c(F)cc2Br)C1 ZINC000295877826 565291411 /nfs/dbraw/zinc/29/14/11/565291411.db2.gz PIFPTKHZUVFKHJ-SNVBAGLBSA-N 0 0 388.668 3.207 20 30 GGEDRN N#Cc1c(F)cccc1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000186872827 565291769 /nfs/dbraw/zinc/29/17/69/565291769.db2.gz SMPVAGAELWMMOQ-UHFFFAOYSA-N 0 0 379.222 3.362 20 30 GGEDRN COC(=O)c1cc(NC(=O)N2CCC(C)(C#N)CC2)ccc1Br ZINC000272656008 565293134 /nfs/dbraw/zinc/29/31/34/565293134.db2.gz GFAAZFYKHWXSRZ-UHFFFAOYSA-N 0 0 380.242 3.393 20 30 GGEDRN CC(C)c1n[nH]c(C(=O)N[C@]2(C#N)CCc3ccccc3C2)c1Br ZINC000186893214 565293483 /nfs/dbraw/zinc/29/34/83/565293483.db2.gz OHBOGLKSHCTZRL-GOSISDBHSA-N 0 0 387.281 3.477 20 30 GGEDRN CC(C)c1n[nH]c(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1Br ZINC000186893232 565293734 /nfs/dbraw/zinc/29/37/34/565293734.db2.gz OHBOGLKSHCTZRL-SFHVURJKSA-N 0 0 387.281 3.477 20 30 GGEDRN C=CCN(C)C(=O)c1cc(Br)ccc1I ZINC000161813586 565294389 /nfs/dbraw/zinc/29/43/89/565294389.db2.gz RPGSRCSUEFLZPN-UHFFFAOYSA-N 0 0 380.023 3.312 20 30 GGEDRN N#C[C@H](C(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000161935280 565297458 /nfs/dbraw/zinc/29/74/58/565297458.db2.gz VTFUOCDYOLUKSY-LBPRGKRZSA-N 0 0 393.140 3.084 20 30 GGEDRN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CCCCS2)nc1C ZINC000272812881 565298158 /nfs/dbraw/zinc/29/81/58/565298158.db2.gz AXZCYSVSPVZMFL-JTQLQIEISA-N 0 0 381.552 3.409 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000272829406 565298323 /nfs/dbraw/zinc/29/83/23/565298323.db2.gz HQLVKTAQNSBYFD-UHFFFAOYSA-N 0 0 398.937 3.087 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC000272813163 565298551 /nfs/dbraw/zinc/29/85/51/565298551.db2.gz DJZIRMJBIZMXLU-LBPRGKRZSA-N 0 0 398.937 3.086 20 30 GGEDRN N#C[C@H](NC(=O)c1ccc(C(=O)NC2CC2)cc1)c1cccc(Br)c1 ZINC000161951279 565298542 /nfs/dbraw/zinc/29/85/42/565298542.db2.gz XNLGYZHHLWNEHP-KRWDZBQOSA-N 0 0 398.260 3.336 20 30 GGEDRN Cc1noc(C)c1C(=O)C(C(=S)NC(C)(C)C)[n+]1cc([O-])cc(Cl)c1 ZINC000186963853 565298573 /nfs/dbraw/zinc/29/85/73/565298573.db2.gz GQXNWXCWSONCSK-UHFFFAOYSA-O 0 0 382.893 3.265 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccc(C(=O)NC2CC2)cc1)c1cccc(Br)c1 ZINC000161951173 565298665 /nfs/dbraw/zinc/29/86/65/565298665.db2.gz XNLGYZHHLWNEHP-QGZVFWFLSA-N 0 0 398.260 3.336 20 30 GGEDRN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000272859865 565299900 /nfs/dbraw/zinc/29/99/00/565299900.db2.gz MSARUMVWANZVHL-JTQLQIEISA-N 0 0 385.379 3.141 20 30 GGEDRN C=CCS(=O)(=O)CCNCc1cc(Cl)ccc1OCc1cccnc1 ZINC000272873352 565300593 /nfs/dbraw/zinc/30/05/93/565300593.db2.gz TYTPARWDLDGIQX-UHFFFAOYSA-N 0 0 380.897 3.004 20 30 GGEDRN C=CCOc1c(Br)cc(CN2CCCC[C@@H]2C(N)=O)cc1OCC ZINC000162015419 565301072 /nfs/dbraw/zinc/30/10/72/565301072.db2.gz WSOKNVKHAXPWSZ-OAHLLOKOSA-N 0 0 397.313 3.252 20 30 GGEDRN C=CCN(C(=O)Nc1ncc(C2CCCCC2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000272891306 565301394 /nfs/dbraw/zinc/30/13/94/565301394.db2.gz YQMWTNMNJBBSML-AWEZNQCLSA-N 0 0 383.539 3.398 20 30 GGEDRN N#Cc1cc(F)ccc1N1CCC(O)(c2scnc2Br)CC1 ZINC000373769737 565301676 /nfs/dbraw/zinc/30/16/76/565301676.db2.gz WDTWZKQQHOBTCQ-UHFFFAOYSA-N 0 0 382.258 3.404 20 30 GGEDRN Cc1nn(C[C@](C)(O)c2ccc(Br)cc2Cl)c(=O)c(C#N)c1C ZINC000296115004 565302507 /nfs/dbraw/zinc/30/25/07/565302507.db2.gz 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/nfs/dbraw/zinc/30/41/68/565304168.db2.gz RTKCOEDHBJHRHZ-UHFFFAOYSA-N 0 0 375.885 3.165 20 30 GGEDRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)NCCCC#N)C1 ZINC000273008326 565305029 /nfs/dbraw/zinc/30/50/29/565305029.db2.gz ISXKVPDQMWAWHY-CQSZACIVSA-N 0 0 392.297 3.030 20 30 GGEDRN C=CCOc1ccccc1CN[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000162098913 565305390 /nfs/dbraw/zinc/30/53/90/565305390.db2.gz KNYFXDNXLQNKAJ-QGZVFWFLSA-N 0 0 375.266 3.330 20 30 GGEDRN C=CC1CCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1 ZINC000373842496 565305922 /nfs/dbraw/zinc/30/59/22/565305922.db2.gz RFBDWIAEJLGRPK-UHFFFAOYSA-N 0 0 376.258 3.460 20 30 GGEDRN CO[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1(C)C ZINC000296184265 565306476 /nfs/dbraw/zinc/30/64/76/565306476.db2.gz UPBOSJYUHOXEQY-CQSZACIVSA-N 0 0 376.400 3.013 20 30 GGEDRN CNC(=O)CC1S/C(=N/c2ccc(Cl)c(Cl)c2)N(CCCC#N)C1=O ZINC000273070788 565306726 /nfs/dbraw/zinc/30/67/26/565306726.db2.gz VKPOKVMSYPUYAG-IQQDNESTSA-N 0 0 399.303 3.365 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000187073070 565307220 /nfs/dbraw/zinc/30/72/20/565307220.db2.gz NHXFBMJNBUJTSV-UHFFFAOYSA-N 0 0 378.885 3.161 20 30 GGEDRN CC(C)(C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C#N)C1)C(N)=O ZINC000296256921 565308385 /nfs/dbraw/zinc/30/83/85/565308385.db2.gz WKNWTODTIFFTHX-LBPRGKRZSA-N 0 0 392.297 3.075 20 30 GGEDRN COc1ccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1OC ZINC000162183204 565308592 /nfs/dbraw/zinc/30/85/92/565308592.db2.gz ODPHAJUXUYKOAH-AWEZNQCLSA-N 0 0 375.222 3.461 20 30 GGEDRN COc1cc(OC)cc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 ZINC000162194300 565308744 /nfs/dbraw/zinc/30/87/44/565308744.db2.gz UTZIHNFPKMYSGS-INIZCTEOSA-N 0 0 375.222 3.461 20 30 GGEDRN COC(=O)c1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)s1 ZINC000162197381 565308843 /nfs/dbraw/zinc/30/88/43/565308843.db2.gz JPBWOVUKNMKZHH-LLVKDONJSA-N 0 0 379.235 3.292 20 30 GGEDRN N#C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000162195120 565308948 /nfs/dbraw/zinc/30/89/48/565308948.db2.gz YSMOAQUYZFTLGV-HNNXBMFYSA-N 0 0 390.193 3.117 20 30 GGEDRN Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000187090460 565309032 /nfs/dbraw/zinc/30/90/32/565309032.db2.gz UZLPGGKRBQEPSX-UHFFFAOYSA-N 0 0 390.212 3.023 20 30 GGEDRN N#CCCCNC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000273127147 565309284 /nfs/dbraw/zinc/30/92/84/565309284.db2.gz SNZHVLPZJQPBCB-OAHLLOKOSA-N 0 0 396.260 3.003 20 30 GGEDRN CCn1ccnc1[C@@H](NCCCC#N)c1ccc(I)cc1 ZINC000273165806 565310744 /nfs/dbraw/zinc/31/07/44/565310744.db2.gz ARUDDPYHJPVGHY-HNNXBMFYSA-N 0 0 394.260 3.490 20 30 GGEDRN COCCN(Cc1cc(F)ccc1Cl)S(=O)(=O)c1ccc(C#N)cc1 ZINC000187121876 565310790 /nfs/dbraw/zinc/31/07/90/565310790.db2.gz UZNXKGXWSOYVJJ-UHFFFAOYSA-N 0 0 382.844 3.188 20 30 GGEDRN Cc1ccc(Cl)c(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c1 ZINC000162264014 565311421 /nfs/dbraw/zinc/31/14/21/565311421.db2.gz DLLFMUQKSWRCCW-UHFFFAOYSA-N 0 0 377.853 3.011 20 30 GGEDRN CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000162414249 565315835 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N#CCOc1ccc(CC(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)cc1 ZINC000374111310 565320796 /nfs/dbraw/zinc/32/07/96/565320796.db2.gz RPUDPOCSSKKPAG-OAHLLOKOSA-N 0 0 376.865 3.446 20 30 GGEDRN COCc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)o1 ZINC000162546941 565320983 /nfs/dbraw/zinc/32/09/83/565320983.db2.gz AKPXOOGMCJTTQR-INIZCTEOSA-N 0 0 380.853 3.477 20 30 GGEDRN COCc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2C#N)o1 ZINC000162576401 565321216 /nfs/dbraw/zinc/32/12/16/565321216.db2.gz GWXKLVNTGVERQX-OAHLLOKOSA-N 0 0 380.853 3.477 20 30 GGEDRN Cc1cc(NC(=O)CNC(=O)c2cccc(F)c2C#N)ccc1Br ZINC000187316547 565322572 /nfs/dbraw/zinc/32/25/72/565322572.db2.gz ZDEFESHDJLHHTL-UHFFFAOYSA-N 0 0 390.212 3.137 20 30 GGEDRN CC(C)OCCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000273515342 565324048 /nfs/dbraw/zinc/32/40/48/565324048.db2.gz VDMVTWLLQQFLBF-UHFFFAOYSA-N 0 0 377.495 3.249 20 30 GGEDRN N#CC1(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CCSCC1 ZINC000162675979 565324847 /nfs/dbraw/zinc/32/48/47/565324847.db2.gz IXZNSHHSQZOBBS-UHFFFAOYSA-N 0 0 391.294 3.358 20 30 GGEDRN Cc1ccc(C(=O)CCC(=O)CCC(=O)NC2(C#N)CCSCC2)s1 ZINC000162713314 565325416 /nfs/dbraw/zinc/32/54/16/565325416.db2.gz YLROBQFHFVEVJW-UHFFFAOYSA-N 0 0 378.519 3.274 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1Br)c1ccc(C#N)cc1 ZINC000162708895 565325886 /nfs/dbraw/zinc/32/58/86/565325886.db2.gz QHJCGMVMFJSUBC-SNVBAGLBSA-N 0 0 390.212 3.276 20 30 GGEDRN C=CCN(Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1)Cc1ccc(Cl)s1 ZINC000162789987 565328164 /nfs/dbraw/zinc/32/81/64/565328164.db2.gz ASHFDFRHMWBZRO-KRWDZBQOSA-N 0 0 399.969 3.320 20 30 GGEDRN Cc1nnc([C@H](C)NCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)s1 ZINC000273630114 565328415 /nfs/dbraw/zinc/32/84/15/565328415.db2.gz SEEVTFNVDZLBML-LBPRGKRZSA-N 0 0 377.901 3.406 20 30 GGEDRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1ncc(Br)cc1C#N ZINC000296671334 565328883 /nfs/dbraw/zinc/32/88/83/565328883.db2.gz ZNAQSOYZUVCDPR-LLVKDONJSA-N 0 0 394.294 3.317 20 30 GGEDRN Cc1cc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)ccc1Br ZINC000162837397 565329409 /nfs/dbraw/zinc/32/94/09/565329409.db2.gz ZEXWVEQOWIHWFU-UHFFFAOYSA-N 0 0 399.292 3.423 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1CC(=O)c1ccco1 ZINC000273717575 565332003 /nfs/dbraw/zinc/33/20/03/565332003.db2.gz GEXLMSCIDJBJSK-CQSZACIVSA-N 0 0 378.837 3.231 20 30 GGEDRN Cc1cc(Br)oc1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000374354146 565333701 /nfs/dbraw/zinc/33/37/01/565333701.db2.gz UANZZDQMLRDCNS-CQSZACIVSA-N 0 0 375.222 3.436 20 30 GGEDRN N#Cc1cc(Cl)ccc1CN1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000187466855 565334657 /nfs/dbraw/zinc/33/46/57/565334657.db2.gz JRTCHYNYXRQNKP-GOSISDBHSA-N 0 0 381.929 3.038 20 30 GGEDRN N#Cc1ccccc1S(=O)(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000163036397 565335121 /nfs/dbraw/zinc/33/51/21/565335121.db2.gz FZIHYJJOHOLPGL-UHFFFAOYSA-N 0 0 385.272 3.048 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000374442243 565339823 /nfs/dbraw/zinc/33/98/23/565339823.db2.gz VCGPCNBISXWFHN-UKRRQHHQSA-N 0 0 378.523 3.160 20 30 GGEDRN N#CC1(c2ccccn2)CCN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000374449984 565340142 /nfs/dbraw/zinc/34/01/42/565340142.db2.gz DJNGBBDQFLTNFB-UHFFFAOYSA-N 0 0 397.287 3.029 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000374442241 565340410 /nfs/dbraw/zinc/34/04/10/565340410.db2.gz VCGPCNBISXWFHN-DZGCQCFKSA-N 0 0 378.523 3.160 20 30 GGEDRN N#CC1(c2ccccn2)CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000374464593 565341306 /nfs/dbraw/zinc/34/13/06/565341306.db2.gz KFMMMBRHCFFJFS-UHFFFAOYSA-N 0 0 379.844 3.120 20 30 GGEDRN Cc1ccc(Br)nc1C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000374462893 565341775 /nfs/dbraw/zinc/34/17/75/565341775.db2.gz PQZKWHWQGSIFJQ-UHFFFAOYSA-N 0 0 385.265 3.245 20 30 GGEDRN CC(C)n1nccc1[C@H]1OCC[C@@H]1Nc1ncc(Br)cc1C#N ZINC000296874751 565342359 /nfs/dbraw/zinc/34/23/59/565342359.db2.gz WKEZQDSAMOBWRQ-ZFWWWQNUSA-N 0 0 376.258 3.435 20 30 GGEDRN N#C[C@@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CCCC2)CCO1 ZINC000163313689 565342629 /nfs/dbraw/zinc/34/26/29/565342629.db2.gz UKWXICPXEVTQCF-MRXNPFEDSA-N 0 0 392.297 3.195 20 30 GGEDRN C[C@H](CC#N)N(C)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000163302586 565342746 /nfs/dbraw/zinc/34/27/46/565342746.db2.gz ZTZIBJVVCPRYNK-MRVPVSSYSA-N 0 0 385.205 3.391 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)N2CCS[C@H](C)C2)nnc1-c1ccco1 ZINC000163308442 565342870 /nfs/dbraw/zinc/34/28/70/565342870.db2.gz FRFOXMQJSZSBSS-CYBMUJFWSA-N 0 0 378.523 3.170 20 30 GGEDRN C[C@@H](CC#N)N(C)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000163302466 565343033 /nfs/dbraw/zinc/34/30/33/565343033.db2.gz ZTZIBJVVCPRYNK-QMMMGPOBSA-N 0 0 385.205 3.391 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000163354498 565343535 /nfs/dbraw/zinc/34/35/35/565343535.db2.gz DFZZRUYZJIGTDD-WBVHZDCISA-N 0 0 376.865 3.410 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1Cl ZINC000163361054 565343905 /nfs/dbraw/zinc/34/39/05/565343905.db2.gz SEEKVBXETHTLGA-QAPCUYQASA-N 0 0 376.865 3.410 20 30 GGEDRN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Sc2ccc(C#N)cc2Cl)C1 ZINC000163332703 565344161 /nfs/dbraw/zinc/34/41/61/565344161.db2.gz VHPROJDOKITJFQ-GXTWGEPZSA-N 0 0 380.897 3.494 20 30 GGEDRN N#Cc1cccnc1N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000163376837 565345167 /nfs/dbraw/zinc/34/51/67/565345167.db2.gz XCLQZOAHKKBKTH-KRWDZBQOSA-N 0 0 382.265 3.103 20 30 GGEDRN Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(C#N)cc2)cc1Br ZINC000187602075 565345276 /nfs/dbraw/zinc/34/52/76/565345276.db2.gz MDQMNGMASWFWIJ-UHFFFAOYSA-N 0 0 386.249 3.306 20 30 GGEDRN N#CCN(C1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163372477 565345511 /nfs/dbraw/zinc/34/55/11/565345511.db2.gz MECQSWBGBAQBRE-UHFFFAOYSA-N 0 0 377.344 3.070 20 30 GGEDRN C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]1c1ccccc1Br ZINC000374581384 565346061 /nfs/dbraw/zinc/34/60/61/565346061.db2.gz ABMVOUYSEVDEFQ-DOMZBBRYSA-N 0 0 386.315 3.065 20 30 GGEDRN O=C(NCC(F)(F)CO)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000187626710 565346875 /nfs/dbraw/zinc/34/68/75/565346875.db2.gz NOPFPURZIVFCPF-SECBINFHSA-N 0 0 380.235 3.236 20 30 GGEDRN C=CCn1c(=O)[nH]nc1SCc1ncc(-c2ccccc2Br)o1 ZINC000163498632 565347141 /nfs/dbraw/zinc/34/71/41/565347141.db2.gz YMPRVBXCZOUHAE-UHFFFAOYSA-N 0 0 393.266 3.467 20 30 GGEDRN N#CCCn1ccc(NC(=O)N2CCc3c(F)ccc(Br)c3C2)n1 ZINC000296955937 565347410 /nfs/dbraw/zinc/34/74/10/565347410.db2.gz RRGPYUPAAPRDCH-UHFFFAOYSA-N 0 0 392.232 3.289 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c1 ZINC000163527161 565347657 /nfs/dbraw/zinc/34/76/57/565347657.db2.gz GVGLNZOTAPOZCV-BLLLJJGKSA-N 0 0 382.819 3.465 20 30 GGEDRN C=CCn1c(=O)[nH]nc1SCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000163592898 565348234 /nfs/dbraw/zinc/34/82/34/565348234.db2.gz BUFDRBUJXBBADY-UHFFFAOYSA-N 0 0 384.248 3.407 20 30 GGEDRN C=CCn1c(=O)[nH]nc1SCc1c(C(=O)OC)sc2cccc(F)c21 ZINC000163573435 565348876 /nfs/dbraw/zinc/34/88/76/565348876.db2.gz RTONXGXZVKXVRH-UHFFFAOYSA-N 0 0 379.438 3.190 20 30 GGEDRN C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)n[nH]c1=O ZINC000163663694 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/nfs/dbraw/zinc/51/35/14/565513514.db2.gz OPVHKJZWZALUGR-MRVPVSSYSA-N 0 0 375.675 3.192 20 30 GGEDRN N#CCCCC[S@](=O)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000172838216 565506039 /nfs/dbraw/zinc/50/60/39/565506039.db2.gz BZYWZKDNFFMFMJ-QFIPXVFZSA-N 0 0 382.283 3.365 20 30 GGEDRN N#Cc1c(Cl)nsc1NC[C@H](O)COc1ccccc1Br ZINC000301725107 565506978 /nfs/dbraw/zinc/50/69/78/565506978.db2.gz UMZHYXJYUWLZAG-QMMMGPOBSA-N 0 0 388.674 3.282 20 30 GGEDRN N#Cc1ccc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC000301725406 565507029 /nfs/dbraw/zinc/50/70/29/565507029.db2.gz URWCEIKFVMQBFS-UHFFFAOYSA-N 0 0 399.292 3.081 20 30 GGEDRN N#Cc1c(Cl)nsc1NC[C@@H](O)COc1ccccc1Br ZINC000301725106 565507066 /nfs/dbraw/zinc/50/70/66/565507066.db2.gz UMZHYXJYUWLZAG-MRVPVSSYSA-N 0 0 388.674 3.282 20 30 GGEDRN N#CCCCC[S@](=O)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000172838571 565507423 /nfs/dbraw/zinc/50/74/23/565507423.db2.gz NWARZEFEGHMWMQ-QFIPXVFZSA-N 0 0 382.283 3.365 20 30 GGEDRN C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000190125198 565509603 /nfs/dbraw/zinc/50/96/03/565509603.db2.gz YXYXPIZVMUTTCK-ZCFIWIBFSA-N 0 0 379.041 3.113 20 30 GGEDRN N#Cc1ccc(Br)c(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277628691 565510842 /nfs/dbraw/zinc/51/08/42/565510842.db2.gz BBJJYKPKBUWRGD-FZMZJTMJSA-N 0 0 377.204 3.456 20 30 GGEDRN COc1ccc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1C#N)C[C@H](C)O2 ZINC000172906425 565511542 /nfs/dbraw/zinc/51/15/42/565511542.db2.gz GABKCKXMSFHHBP-NSHDSACASA-N 0 0 378.837 3.196 20 30 GGEDRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N[C@H](C)CC#N)C1 ZINC000172916968 565512798 /nfs/dbraw/zinc/51/27/98/565512798.db2.gz JSGWFQVZSZBGRO-KGLIPLIRSA-N 0 0 392.297 3.028 20 30 GGEDRN C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000190159560 565512963 /nfs/dbraw/zinc/51/29/63/565512963.db2.gz IKVJFDXKJRWNDS-ZETCQYMHSA-N 0 0 393.068 3.455 20 30 GGEDRN Cc1cnc(C2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)s1 ZINC000277716669 565515299 /nfs/dbraw/zinc/51/52/99/565515299.db2.gz IZKCDRSDFKZEMR-UHFFFAOYSA-N 0 0 383.445 3.170 20 30 GGEDRN CC(=O)Nc1cc(F)c(S(=O)(=O)OCC(F)(F)C(F)F)c(F)c1Cl ZINC000172964345 565516083 /nfs/dbraw/zinc/51/60/83/565516083.db2.gz AHYVLJOCRQLVNV-UHFFFAOYSA-N 0 0 399.696 3.182 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000172967104 565516106 /nfs/dbraw/zinc/51/61/06/565516106.db2.gz JVXNXSDSYKFMCM-UHFFFAOYSA-N 0 0 388.240 3.422 20 30 GGEDRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)NCCOCC(F)(F)C(F)F ZINC000277720955 565516211 /nfs/dbraw/zinc/51/62/11/565516211.db2.gz HVXKLLXYLRYUCP-UHFFFAOYSA-N 0 0 397.316 3.220 20 30 GGEDRN N#Cc1cc2c(nc1NCCNC(=O)c1ccc(Br)cc1)CCCC2 ZINC000301884861 565516543 /nfs/dbraw/zinc/51/65/43/565516543.db2.gz LRQKQDBVERNKQI-UHFFFAOYSA-N 0 0 399.292 3.436 20 30 GGEDRN Fc1ccc([C@@H](NCc2nnnn2CC(F)(F)F)C(F)(F)F)cc1Cl ZINC000277741299 565517721 /nfs/dbraw/zinc/51/77/21/565517721.db2.gz ICSIBORXCAWQRL-SNVBAGLBSA-N 0 0 391.678 3.421 20 30 GGEDRN C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1nc2n(c1C#N)CCS2 ZINC000172993262 565517856 /nfs/dbraw/zinc/51/78/56/565517856.db2.gz AWBLFGRBHPKKFV-SECBINFHSA-N 0 0 393.266 3.029 20 30 GGEDRN CC1(C)CCCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)[C@@H]1C#N ZINC000277768941 565518584 /nfs/dbraw/zinc/51/85/84/565518584.db2.gz DIERBYGUERXAJE-CQSZACIVSA-N 0 0 399.310 3.007 20 30 GGEDRN CCOc1ccc(Nc2snc(Cl)c2C#N)cc1S(=O)(=O)N(C)C ZINC000301931286 565518600 /nfs/dbraw/zinc/51/86/00/565518600.db2.gz NPRWOFNRDQKMJX-UHFFFAOYSA-N 0 0 386.886 3.061 20 30 GGEDRN CC1(C)CCCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)[C@H]1C#N ZINC000277768939 565518880 /nfs/dbraw/zinc/51/88/80/565518880.db2.gz DIERBYGUERXAJE-AWEZNQCLSA-N 0 0 399.310 3.007 20 30 GGEDRN C#C[C@@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000190284825 565519504 /nfs/dbraw/zinc/51/95/04/565519504.db2.gz WBGYDZBCOKZOOV-MRVPVSSYSA-N 0 0 380.338 3.139 20 30 GGEDRN C#CCN1CCC(c2nc([C@H](OC)c3ccc(Br)cc3)no2)CC1 ZINC000277785007 565519699 /nfs/dbraw/zinc/51/96/99/565519699.db2.gz FJYVGNSROADFLK-MRXNPFEDSA-N 0 0 390.281 3.381 20 30 GGEDRN C=CCNc1nnc(Sc2nn3c(nnc3C(F)(F)F)c(C)c2C)s1 ZINC000301936394 565519804 /nfs/dbraw/zinc/51/98/04/565519804.db2.gz UPDGLQGJTBXAGP-UHFFFAOYSA-N 0 0 387.416 3.361 20 30 GGEDRN N#Cc1ccc2nc(NCCNS(=O)(=O)c3ccc(Cl)s3)ccc2c1 ZINC000301960831 565520957 /nfs/dbraw/zinc/52/09/57/565520957.db2.gz QYPPVDRGZBIZPG-UHFFFAOYSA-N 0 0 392.893 3.212 20 30 GGEDRN Cc1cc(NC(=O)C(=O)NCc2ccc(C#N)cc2)cc(C)c1Br ZINC000190306979 565521351 /nfs/dbraw/zinc/52/13/51/565521351.db2.gz DMZFWGBFSSCCEW-UHFFFAOYSA-N 0 0 386.249 3.193 20 30 GGEDRN N#Cc1c(Cl)nsc1NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000301968898 565521713 /nfs/dbraw/zinc/52/17/13/565521713.db2.gz ZHAAQHVVGYARKF-UHFFFAOYSA-N 0 0 396.303 3.082 20 30 GGEDRN COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000190313587 565522515 /nfs/dbraw/zinc/52/25/15/565522515.db2.gz NNTVNEPBAILKCX-AWEZNQCLSA-N 0 0 378.475 3.167 20 30 GGEDRN N#CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000190339879 565523535 /nfs/dbraw/zinc/52/35/35/565523535.db2.gz WZXAIZKFTQVRMX-UHFFFAOYSA-N 0 0 385.289 3.044 20 30 GGEDRN C=CCOCCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000173074146 565524109 /nfs/dbraw/zinc/52/41/09/565524109.db2.gz QMFSHJCRHXBVEG-UHFFFAOYSA-N 0 0 386.901 3.046 20 30 GGEDRN COc1c(C)cnc(CN(C)S(=O)(=O)c2ccc(Cl)cc2C#N)c1C ZINC000173078579 565524755 /nfs/dbraw/zinc/52/47/55/565524755.db2.gz RAGLKAMVZQIOIO-UHFFFAOYSA-N 0 0 379.869 3.053 20 30 GGEDRN CN([C@](C)(C#N)C1CC1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000190379826 565526300 /nfs/dbraw/zinc/52/63/00/565526300.db2.gz FGKLJBHSNCJXLF-CYBMUJFWSA-N 0 0 377.691 3.415 20 30 GGEDRN C=CCOCCCC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000173099071 565526493 /nfs/dbraw/zinc/52/64/93/565526493.db2.gz LCIOJPUJDNZMMK-UHFFFAOYSA-N 0 0 387.343 3.138 20 30 GGEDRN CN([C@](C)(C#N)C1CC1)S(=O)(=O)c1cc(Br)ccc1Cl ZINC000190377809 565526860 /nfs/dbraw/zinc/52/68/60/565526860.db2.gz PTKPEQFBOSTZMW-CYBMUJFWSA-N 0 0 377.691 3.415 20 30 GGEDRN N#C[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CCCCC2)CCO1 ZINC000173103179 565527156 /nfs/dbraw/zinc/52/71/56/565527156.db2.gz YYJYLXJOQKXEOX-MRXNPFEDSA-N 0 0 377.282 3.402 20 30 GGEDRN CN(CCCc1[nH]nc(N)c1C#N)c1cnc2cc(Cl)c(Cl)cc2n1 ZINC000302073556 565528265 /nfs/dbraw/zinc/52/82/65/565528265.db2.gz FYBNVXNDCNTQBM-UHFFFAOYSA-N 0 0 376.251 3.183 20 30 GGEDRN N#C[C@@H]1COCCN1C(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000173117836 565528878 /nfs/dbraw/zinc/52/88/78/565528878.db2.gz DVTZIJCGZHESNG-CQSZACIVSA-N 0 0 388.221 3.001 20 30 GGEDRN N#C[C@H]1COCCN1C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000173131322 565529758 /nfs/dbraw/zinc/52/97/58/565529758.db2.gz INUIXXIBCUUVLL-LBPRGKRZSA-N 0 0 375.837 3.018 20 30 GGEDRN N#Cc1c(NCCCNC(=O)c2cccc(Br)c2)nc2ccccn21 ZINC000302104196 565530129 /nfs/dbraw/zinc/53/01/29/565530129.db2.gz RDZPLLNEGSBHIF-UHFFFAOYSA-N 0 0 398.264 3.200 20 30 GGEDRN CC(=O)c1ccc(C#N)c(NC[C@H](O)COc2ccccc2Br)c1 ZINC000302104109 565530636 /nfs/dbraw/zinc/53/06/36/565530636.db2.gz MOTPYMWAGPVHHL-HNNXBMFYSA-N 0 0 389.249 3.375 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)c2c[nH]c(=O)c(Br)c2)c1 ZINC000173146840 565530981 /nfs/dbraw/zinc/53/09/81/565530981.db2.gz YDFDLTZRXVULPV-UHFFFAOYSA-N 0 0 376.210 3.072 20 30 GGEDRN CN(C(=O)c1ccc(C#N)c(O)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000190417085 565531340 /nfs/dbraw/zinc/53/13/40/565531340.db2.gz AEESDSHGKQJVIO-IRXDYDNUSA-N 0 0 377.227 3.301 20 30 GGEDRN CC1(C)CCCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)[C@@H]1C#N ZINC000277958617 565531777 /nfs/dbraw/zinc/53/17/77/565531777.db2.gz PLQWKACDXOOVJD-CQSZACIVSA-N 0 0 399.310 3.007 20 30 GGEDRN Cc1nc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)ccc1C#N ZINC000190440937 565532119 /nfs/dbraw/zinc/53/21/19/565532119.db2.gz YZEVMCIALGIFGM-DLBZAZTESA-N 0 0 376.243 3.299 20 30 GGEDRN CC(C)(C)c1nc2ccc(S(=O)(=O)N(CCC#N)CCC#N)cc2s1 ZINC000173159815 565532202 /nfs/dbraw/zinc/53/22/02/565532202.db2.gz NEQVJAVBPHFUJC-UHFFFAOYSA-N 0 0 376.507 3.412 20 30 GGEDRN N#Cc1cc(Br)ccc1N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000302162878 565533679 /nfs/dbraw/zinc/53/36/79/565533679.db2.gz KGRPFLRZCODDGN-UHFFFAOYSA-N 0 0 399.292 3.081 20 30 GGEDRN CCc1ccc([C@H]2COCCN2S(=O)(=O)c2ccc(Cl)cc2C#N)o1 ZINC000173176837 565533928 /nfs/dbraw/zinc/53/39/28/565533928.db2.gz SUNMZGRAAQDDJG-OAHLLOKOSA-N 0 0 380.853 3.129 20 30 GGEDRN CN(CC(=O)N1CCCC(C)(C)[C@@H]1C#N)C(=O)c1ccc(Br)s1 ZINC000278020094 565534669 /nfs/dbraw/zinc/53/46/69/565534669.db2.gz SVMBIBGMOAJQCJ-LBPRGKRZSA-N 0 0 398.326 3.123 20 30 GGEDRN COc1ccccc1[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000378603489 565535080 /nfs/dbraw/zinc/53/50/80/565535080.db2.gz ZPDUPXHRWUZVIQ-AWEZNQCLSA-N 0 0 376.865 3.398 20 30 GGEDRN CC(C)S(=O)(=O)N1CCC(Nc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000278044808 565536817 /nfs/dbraw/zinc/53/68/17/565536817.db2.gz QUJIVLAVEGOESJ-UHFFFAOYSA-N 0 0 375.416 3.192 20 30 GGEDRN COc1cc(OC)cc([C@H](O)CNc2ccc(Br)cc2C#N)c1 ZINC000302209810 565537048 /nfs/dbraw/zinc/53/70/48/565537048.db2.gz YFUDCXQZFFFGPU-QGZVFWFLSA-N 0 0 377.238 3.483 20 30 GGEDRN Cc1ccc(Br)cc1CNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000190507495 565537115 /nfs/dbraw/zinc/53/71/15/565537115.db2.gz JVDYZZOFVISENO-UHFFFAOYSA-N 0 0 379.279 3.249 20 30 GGEDRN N#Cc1cc(Br)ccc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC000302205587 565537510 /nfs/dbraw/zinc/53/75/10/565537510.db2.gz WVHNYCWNGMGEGB-UHFFFAOYSA-N 0 0 380.183 3.343 20 30 GGEDRN CC#CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000190530701 565540092 /nfs/dbraw/zinc/54/00/92/565540092.db2.gz BBHWVFCLENLPAY-UHFFFAOYSA-N 0 0 380.338 3.141 20 30 GGEDRN N#Cc1ccc(N2CCS(=O)(=O)c3ccccc3C2)c(Br)c1 ZINC000302423483 565540785 /nfs/dbraw/zinc/54/07/85/565540785.db2.gz JTUXVBQUPLUQIB-UHFFFAOYSA-N 0 0 377.263 3.115 20 30 GGEDRN C=C(Br)CNc1ncc(Cn2cc(Br)cn2)s1 ZINC000302465409 565542537 /nfs/dbraw/zinc/54/25/37/565542537.db2.gz SKGGTYDEVBVZIV-UHFFFAOYSA-N 0 0 378.093 3.471 20 30 GGEDRN CC1(C#N)CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000278164126 565543195 /nfs/dbraw/zinc/54/31/95/565543195.db2.gz ZSTCGJFKVQTJIE-UHFFFAOYSA-N 0 0 390.281 3.029 20 30 GGEDRN Cc1ncc(CO)c(/C=N/[C@@H]2CCN(c3cccc(Br)c3)C2)c1O ZINC000278193337 565543901 /nfs/dbraw/zinc/54/39/01/565543901.db2.gz GKSGXZIQZRNBEJ-MNPVBQOISA-N 0 0 390.281 3.048 20 30 GGEDRN CN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000384313088 565544188 /nfs/dbraw/zinc/54/41/88/565544188.db2.gz PKZDLJBONGXLGS-UHFFFAOYSA-N 0 0 378.881 3.439 20 30 GGEDRN CN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000384309513 565544372 /nfs/dbraw/zinc/54/43/72/565544372.db2.gz IUUWECRBVXCXFF-UHFFFAOYSA-N 0 0 378.881 3.439 20 30 GGEDRN C[C@@H]1CCCC[C@H]1NC(=S)C(C(=O)c1nccs1)[n+]1cccc([O-])c1 ZINC000278212560 565545056 /nfs/dbraw/zinc/54/50/56/565545056.db2.gz IBNOQRJJGVWTPT-TZMCWYRMSA-O 0 0 376.527 3.243 20 30 GGEDRN C[C@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1nccs1)[n+]1cccc([O-])c1 ZINC000278212556 565545523 /nfs/dbraw/zinc/54/55/23/565545523.db2.gz IBNOQRJJGVWTPT-JSGCOSHPSA-O 0 0 376.527 3.243 20 30 GGEDRN C[C@@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1nccs1)[n+]1cccc([O-])c1 ZINC000278212558 565545661 /nfs/dbraw/zinc/54/56/61/565545661.db2.gz IBNOQRJJGVWTPT-OCCSQVGLSA-O 0 0 376.527 3.243 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cc(Br)c(OC)c(OC)c1 ZINC000278231705 565546495 /nfs/dbraw/zinc/54/64/95/565546495.db2.gz JQNCZZMWKQSWCA-IUODEOHRSA-N 0 0 384.270 3.064 20 30 GGEDRN CS(=O)(=O)c1ccc(-c2csc(NC(=O)C3(C#N)CCCC3)n2)cc1 ZINC000173320076 565547765 /nfs/dbraw/zinc/54/77/65/565547765.db2.gz LLEDEFCVVCCPSD-UHFFFAOYSA-N 0 0 375.475 3.236 20 30 GGEDRN COc1ccc([C@@H](C)NC(=O)Nc2ccn(CCC#N)n2)cc1Br ZINC000173340593 565550099 /nfs/dbraw/zinc/55/00/99/565550099.db2.gz NUISJBGAAOKOKF-LLVKDONJSA-N 0 0 392.257 3.451 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1cc[nH]c(=O)c1Br ZINC000278315133 565550871 /nfs/dbraw/zinc/55/08/71/565550871.db2.gz UUBLRRBROUYYFH-UHFFFAOYSA-N 0 0 377.242 3.159 20 30 GGEDRN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(CC#N)C1CCCC1 ZINC000190680566 565551483 /nfs/dbraw/zinc/55/14/83/565551483.db2.gz VBZSTJHYXXFLPL-ZDUSSCGKSA-N 0 0 386.901 3.211 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)OC)c1Br ZINC000190701835 565552605 /nfs/dbraw/zinc/55/26/05/565552605.db2.gz CRKOEOBOGXGDEV-NSHDSACASA-N 0 0 397.269 3.035 20 30 GGEDRN C=CCN(Cc1ccc(OC)c(SC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000173360599 565552844 /nfs/dbraw/zinc/55/28/44/565552844.db2.gz UUJLKDMCFPGFQH-ZDUSSCGKSA-N 0 0 395.468 3.482 20 30 GGEDRN C=CCN(CC(=O)N1CCCC[C@H]1C(=O)OCC)Cc1ccc(Cl)s1 ZINC000302738478 565553135 /nfs/dbraw/zinc/55/31/35/565553135.db2.gz HJZCEPCWBHTZBC-HNNXBMFYSA-N 0 0 384.929 3.334 20 30 GGEDRN N#Cc1nc(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)ccc1Cl ZINC000302732741 565553557 /nfs/dbraw/zinc/55/35/57/565553557.db2.gz XIUCGUNFBBEOJV-UHFFFAOYSA-N 0 0 388.806 3.194 20 30 GGEDRN N#CCCn1ccc(NC(=O)NCCc2cc(Br)ccc2F)n1 ZINC000173378625 565554039 /nfs/dbraw/zinc/55/40/39/565554039.db2.gz JFBCLQSDYJCULG-UHFFFAOYSA-N 0 0 380.221 3.063 20 30 GGEDRN C=CCN(CCOC)C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000190759755 565556212 /nfs/dbraw/zinc/55/62/12/565556212.db2.gz QYDVJNQBRNORKL-UHFFFAOYSA-N 0 0 392.855 3.297 20 30 GGEDRN C=CCN(CCOC)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000190743743 565556239 /nfs/dbraw/zinc/55/62/39/565556239.db2.gz CZACIPWPVDHJHV-UHFFFAOYSA-N 0 0 393.285 3.360 20 30 GGEDRN C[C@H](CCOCc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000390391779 565556371 /nfs/dbraw/zinc/55/63/71/565556371.db2.gz KCOSLFSIDOEGOV-CQSZACIVSA-N 0 0 378.881 3.485 20 30 GGEDRN C[C@@H](CCOCc1ccccc1)NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000390398624 565556453 /nfs/dbraw/zinc/55/64/53/565556453.db2.gz SAQPEEDJFWXATQ-AWEZNQCLSA-N 0 0 378.881 3.485 20 30 GGEDRN C=CC[C@H]1N(C(=O)c2nc3ncc(Br)cn3n2)CCCC1(C)C ZINC000278446595 565558480 /nfs/dbraw/zinc/55/84/80/565558480.db2.gz RDLQPIAFCVJHFS-GFCCVEGCSA-N 0 0 378.274 3.094 20 30 GGEDRN N#CC1CCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000173462240 565558736 /nfs/dbraw/zinc/55/87/36/565558736.db2.gz JXGDXDJOUANQHI-UHFFFAOYSA-N 0 0 376.766 3.078 20 30 GGEDRN N#CCN1CCC(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000391313535 565560455 /nfs/dbraw/zinc/56/04/55/565560455.db2.gz DGQWMXKIYQQMBL-UHFFFAOYSA-N 0 0 390.203 3.186 20 30 GGEDRN CN1CCCN(S(=O)(=O)Cc2cccc(C#N)c2)c2cc(Cl)ccc21 ZINC000173480637 565561153 /nfs/dbraw/zinc/56/11/53/565561153.db2.gz ZAEMDZPCVNZRMQ-UHFFFAOYSA-N 0 0 375.881 3.388 20 30 GGEDRN CC1(C)CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CCS1(=O)=O ZINC000278482893 565561289 /nfs/dbraw/zinc/56/12/89/565561289.db2.gz OVOURRKNSYJCQV-UHFFFAOYSA-N 0 0 381.860 3.302 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)c1nc(Br)ccc1Br ZINC000190825025 565561742 /nfs/dbraw/zinc/56/17/42/565561742.db2.gz WZOOPUDVHBJHHR-GFCCVEGCSA-N 0 0 375.064 3.275 20 30 GGEDRN CN(c1ccc(OC(=O)CC(C)(C)C#N)cc1)S(=O)(=O)c1cccs1 ZINC000278488381 565562150 /nfs/dbraw/zinc/56/21/50/565562150.db2.gz LBJRZKQRWPODKZ-UHFFFAOYSA-N 0 0 378.475 3.418 20 30 GGEDRN C[C@H]1CN(C)c2ccccc2N(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000173506626 565562245 /nfs/dbraw/zinc/56/22/45/565562245.db2.gz CPBYSKUUHZFJID-ZDUSSCGKSA-N 0 0 375.881 3.493 20 30 GGEDRN CCc1nn(C)c(CC)c1CC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000190826404 565562165 /nfs/dbraw/zinc/56/21/65/565562165.db2.gz HCFNTZPKJOXNGG-INIZCTEOSA-N 0 0 389.297 3.231 20 30 GGEDRN C[C@@H]1CN(C)c2ccccc2N(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000173506616 565562410 /nfs/dbraw/zinc/56/24/10/565562410.db2.gz CPBYSKUUHZFJID-CYBMUJFWSA-N 0 0 375.881 3.493 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)c2c[nH]c(=O)c(Br)c2)cc1 ZINC000173509544 565562417 /nfs/dbraw/zinc/56/24/17/565562417.db2.gz MCRDIRGXTBDDDZ-UHFFFAOYSA-N 0 0 390.237 3.097 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2cnc(Cl)c(Br)c2)n1 ZINC000278599721 565568144 /nfs/dbraw/zinc/56/81/44/565568144.db2.gz BCQDRGVPQIKHGS-UHFFFAOYSA-N 0 0 396.676 3.381 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c1 ZINC000393223131 565568143 /nfs/dbraw/zinc/56/81/43/565568143.db2.gz NIYAENJUBJFTSY-UHFFFAOYSA-N 0 0 396.299 3.376 20 30 GGEDRN N#C[C@H]1COCCN1S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000173579635 565568284 /nfs/dbraw/zinc/56/82/84/565568284.db2.gz GDKDKORDPDUPKV-ZDUSSCGKSA-N 0 0 378.837 3.045 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)/C=C/c2ccc(Br)s2)n1 ZINC000278609057 565568531 /nfs/dbraw/zinc/56/85/31/565568531.db2.gz AUZRZDYXSHKNAS-SOFGYWHQSA-N 0 0 378.295 3.402 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)NCc2ccc(Br)cc2)CC1 ZINC000303257857 565568998 /nfs/dbraw/zinc/56/89/98/565568998.db2.gz CHXVCBHZACUBOP-UHFFFAOYSA-N 0 0 399.292 3.353 20 30 GGEDRN CCCOc1c(Cl)cc(/C=N/OC[C@H]2CCS(=O)(=O)C2)cc1OCC ZINC000278609601 565569514 /nfs/dbraw/zinc/56/95/14/565569514.db2.gz ISSDSMAJNBGFBB-BUESGFEBSA-N 0 0 389.901 3.313 20 30 GGEDRN N#Cc1c(Cn2nnnc2Cc2ccc(Br)cc2)cn2ccccc12 ZINC000303573755 565570912 /nfs/dbraw/zinc/57/09/12/565570912.db2.gz PIRULTIKFDLDPA-UHFFFAOYSA-N 0 0 393.248 3.199 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)NCc1cc(F)ccc1Br ZINC000303667176 565572125 /nfs/dbraw/zinc/57/21/25/565572125.db2.gz XVOBGAARZWIILD-UHFFFAOYSA-N 0 0 383.242 3.247 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cc(OC)c(OC)cc1Br ZINC000278692083 565572870 /nfs/dbraw/zinc/57/28/70/565572870.db2.gz IWWYEGXXTGFAKW-MLGOLLRUSA-N 0 0 384.270 3.064 20 30 GGEDRN C[C@H](C#N)CN(C)C(=O)NCc1ccc(Cl)cc1I ZINC000278701305 565573188 /nfs/dbraw/zinc/57/31/88/565573188.db2.gz NVXXWELBNSTMKA-SECBINFHSA-N 0 0 391.640 3.246 20 30 GGEDRN C=CCCN(C)S(=O)(=O)c1ccc(Br)cc1Br ZINC000303798814 565573351 /nfs/dbraw/zinc/57/33/51/565573351.db2.gz RJCVKJHFAKTCRI-UHFFFAOYSA-N 0 0 383.105 3.408 20 30 GGEDRN Cc1cccc(CNS(=O)(=O)Cc2cccc(C#N)c2)c1Br ZINC000190971160 565573470 /nfs/dbraw/zinc/57/34/70/565573470.db2.gz MAZHDIVAXLRDOB-UHFFFAOYSA-N 0 0 379.279 3.249 20 30 GGEDRN N#CCN(C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CCCC1 ZINC000303805928 565573570 /nfs/dbraw/zinc/57/35/70/565573570.db2.gz XWRZYJBBVILVCG-CYBMUJFWSA-N 0 0 390.281 3.097 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)NCC2(c3cccc(Br)c3)CC2)c1 ZINC000303729134 565573686 /nfs/dbraw/zinc/57/36/86/565573686.db2.gz UKAQTOGNYNFVRY-UHFFFAOYSA-N 0 0 391.290 3.331 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)NCc1cccc(C)c1Br ZINC000190973233 565573770 /nfs/dbraw/zinc/57/37/70/565573770.db2.gz XETJRKSZZIRSCH-UHFFFAOYSA-N 0 0 395.278 3.116 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(Br)c(F)c1 ZINC000303766484 565574144 /nfs/dbraw/zinc/57/41/44/565574144.db2.gz AXUKPSNPPSXBFE-UHFFFAOYSA-N 0 0 383.242 3.247 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccc(C)nc2Br)n1 ZINC000278771035 565576064 /nfs/dbraw/zinc/57/60/64/565576064.db2.gz LCQAKUISDQKNBU-UHFFFAOYSA-N 0 0 376.258 3.036 20 30 GGEDRN Cc1ccc(CN(C)C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)s1 ZINC000278759268 565576146 /nfs/dbraw/zinc/57/61/46/565576146.db2.gz XQSSDIHSVKMOQH-CYBMUJFWSA-N 0 0 377.491 3.406 20 30 GGEDRN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC1(C#N)CCCCC1 ZINC000191001655 565576388 /nfs/dbraw/zinc/57/63/88/565576388.db2.gz URLIGFBKBVLDNJ-CYBMUJFWSA-N 0 0 386.901 3.258 20 30 GGEDRN CNC(=O)CC1S/C(=N\[C@@H](C)c2cccs2)N(CC2(SC)CC2)C1=O ZINC000278777602 565577442 /nfs/dbraw/zinc/57/74/42/565577442.db2.gz TYWGFEDRMAAGER-GJPJBWTNSA-N 0 0 397.591 3.141 20 30 GGEDRN CNC(=O)CC1S/C(=N\[C@@H](C)c2cccs2)N(CC2(SC)CC2)C1=O ZINC000278777611 565577791 /nfs/dbraw/zinc/57/77/91/565577791.db2.gz TYWGFEDRMAAGER-WCCPVJRLSA-N 0 0 397.591 3.141 20 30 GGEDRN CS(=O)(=O)N(CCSCc1cc(C#N)ccc1F)Cc1ccccc1 ZINC000191032515 565578669 /nfs/dbraw/zinc/57/86/69/565578669.db2.gz OLBMMFHXUBKZCQ-UHFFFAOYSA-N 0 0 378.494 3.392 20 30 GGEDRN CS(=O)(=O)c1c(Cl)cccc1NC(=O)CSCc1ccc(C#N)cc1 ZINC000173792455 565585952 /nfs/dbraw/zinc/58/59/52/565585952.db2.gz ATWRQMBZWJWUGS-UHFFFAOYSA-N 0 0 394.905 3.487 20 30 GGEDRN Cc1ccc(I)cc1NC(=O)COc1ccc(C#N)cc1 ZINC000314296622 565586076 /nfs/dbraw/zinc/58/60/76/565586076.db2.gz YKVHLQIYQFUOLT-UHFFFAOYSA-N 0 0 392.196 3.489 20 30 GGEDRN C[C@@H](C(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)S(C)(=O)=O ZINC000173789664 565586424 /nfs/dbraw/zinc/58/64/24/565586424.db2.gz DLRLZHQQXGFTIU-ZDUSSCGKSA-N 0 0 376.865 3.178 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Cc2ccc(F)cc2Br)n1 ZINC000278951271 565586661 /nfs/dbraw/zinc/58/66/61/565586661.db2.gz MJHVVMJFDHBPGJ-UHFFFAOYSA-N 0 0 378.245 3.009 20 30 GGEDRN Cc1cc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)ccn1 ZINC000278974532 565588471 /nfs/dbraw/zinc/58/84/71/565588471.db2.gz GDJRSESCJUQAFR-GOSISDBHSA-N 0 0 399.292 3.175 20 30 GGEDRN C=CCC[C@@H](CO)NC(=O)c1cc(Br)ccc1Br ZINC000315914698 565589940 /nfs/dbraw/zinc/58/99/40/565589940.db2.gz OOCGFBVCYPOWMF-JTQLQIEISA-N 0 0 377.076 3.269 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)[C@@H](C)Oc2ccccc2Br)n1 ZINC000279009597 565589995 /nfs/dbraw/zinc/58/99/95/565589995.db2.gz UCZLVELYQYRTET-CQSZACIVSA-N 0 0 390.281 3.095 20 30 GGEDRN Cc1ccc(Br)cc1CNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000191264184 565592212 /nfs/dbraw/zinc/59/22/12/565592212.db2.gz LUJMSKVVORUDTG-UHFFFAOYSA-N 0 0 390.212 3.023 20 30 GGEDRN Cc1cc(S(=O)(=O)N(C)Cc2cccc(Br)c2)ccc1C#N ZINC000318628857 565596627 /nfs/dbraw/zinc/59/66/27/565596627.db2.gz DTWVDZOLLTVACF-UHFFFAOYSA-N 0 0 379.279 3.450 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2c(F)cc(Br)cc2F)n1 ZINC000279158153 565598866 /nfs/dbraw/zinc/59/88/66/565598866.db2.gz QCNNRJSLBXKPAU-UHFFFAOYSA-N 0 0 382.208 3.219 20 30 GGEDRN COc1ccc(Br)c(NS(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000319679908 565599099 /nfs/dbraw/zinc/59/90/99/565599099.db2.gz IBPBSRQHYXOIFV-UHFFFAOYSA-N 0 0 381.251 3.439 20 30 GGEDRN C=CCC[C@@H](CO)[NH2+]Cc1cc(Br)c([O-])c(Br)c1 ZINC000320253471 565601619 /nfs/dbraw/zinc/60/16/19/565601619.db2.gz IMDQNLGMYJGFSZ-JTQLQIEISA-N 0 0 379.092 3.334 20 30 GGEDRN C=CCC[C@H](CO)[NH2+]Cc1cc(Br)c([O-])c(Br)c1 ZINC000320253473 565602350 /nfs/dbraw/zinc/60/23/50/565602350.db2.gz IMDQNLGMYJGFSZ-SNVBAGLBSA-N 0 0 379.092 3.334 20 30 GGEDRN N#CCCN(CC(F)(F)F)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000173976116 565602680 /nfs/dbraw/zinc/60/26/80/565602680.db2.gz YLGMGOGDUUQOEE-UHFFFAOYSA-N 0 0 376.278 3.052 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC000321116415 565603989 /nfs/dbraw/zinc/60/39/89/565603989.db2.gz PLXWLJXWZUDTTB-CMPLNLGQSA-N 0 0 376.678 3.313 20 30 GGEDRN N#CCCN(CC(F)(F)F)S(=O)(=O)c1cc(Br)ccc1F ZINC000173978057 565604453 /nfs/dbraw/zinc/60/44/53/565604453.db2.gz JQFCWIWCOFRLBV-UHFFFAOYSA-N 0 0 389.168 3.055 20 30 GGEDRN C[C@@H]1Cc2cc(S(=O)(=O)N(CCC#N)CC(F)(F)F)cc(Cl)c2O1 ZINC000173979317 565604499 /nfs/dbraw/zinc/60/44/99/565604499.db2.gz SRLUCLZLLSHTCK-SECBINFHSA-N 0 0 382.791 3.130 20 30 GGEDRN C=CCNC(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000173995679 565605166 /nfs/dbraw/zinc/60/51/66/565605166.db2.gz MWHLQLJOKCBTRX-QGZVFWFLSA-N 0 0 378.881 3.318 20 30 GGEDRN CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCS1 ZINC000174002830 565605748 /nfs/dbraw/zinc/60/57/48/565605748.db2.gz WIMYMXAIDJXHDM-ZDUSSCGKSA-N 0 0 378.441 3.339 20 30 GGEDRN N#CCSCCCSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1 ZINC000174012177 565606660 /nfs/dbraw/zinc/60/66/60/565606660.db2.gz FUQVWKAHLKCVNX-OAHLLOKOSA-N 0 0 381.571 3.186 20 30 GGEDRN N#C[C@H](C(=O)c1ccc(F)c(Br)c1)c1nnc2n1CCCCC2 ZINC000174008643 565606745 /nfs/dbraw/zinc/60/67/45/565606745.db2.gz UXBXWNAJEGDOQV-LLVKDONJSA-N 0 0 377.217 3.396 20 30 GGEDRN C[C@@H](C(=O)Nc1cccc(C#N)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000321705751 565606901 /nfs/dbraw/zinc/60/69/01/565606901.db2.gz 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/nfs/dbraw/zinc/66/63/57/565666357.db2.gz NUDHHUUTGSKUCE-PBHICJAKSA-N 0 0 387.933 3.124 20 30 GGEDRN O=C(Nc1cc2n(n1)CCCC2)N[C@H]1CCc2cc(Br)ccc21 ZINC000329433515 565666411 /nfs/dbraw/zinc/66/64/11/565666411.db2.gz KWIUGCJQZIAVTI-HNNXBMFYSA-N 0 0 375.270 3.417 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000410142283 565666490 /nfs/dbraw/zinc/66/64/90/565666490.db2.gz XWCQTNVFOMHPQK-NVXWUHKLSA-N 0 0 377.535 3.348 20 30 GGEDRN N#CCCN(CC1CC1)C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000192180074 565666684 /nfs/dbraw/zinc/66/66/84/565666684.db2.gz KIGUPSKXFXSZTH-UHFFFAOYSA-N 0 0 384.661 3.193 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1Br ZINC000329443248 565666820 /nfs/dbraw/zinc/66/68/20/565666820.db2.gz BVLMJVGEOKAMMV-OAHLLOKOSA-N 0 0 381.295 3.274 20 30 GGEDRN C[C@H](C#N)CN(C)S(=O)(=O)NC(C)(C)Cc1ccc(Cl)cc1Cl ZINC000410149404 565666977 /nfs/dbraw/zinc/66/69/77/565666977.db2.gz ICBCSLSHSPCVQR-LLVKDONJSA-N 0 0 378.325 3.240 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000410143104 565667342 /nfs/dbraw/zinc/66/73/42/565667342.db2.gz RIKXEZBSPYMYDF-NWDGAFQWSA-N 0 0 378.325 3.413 20 30 GGEDRN [O-]C(=[NH+][C@@H]1CCc2ncnn2C1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000329452713 565667461 /nfs/dbraw/zinc/66/74/61/565667461.db2.gz PBHKBLDDIQGYLG-HUUCEWRRSA-N 0 0 390.285 3.107 20 30 GGEDRN Cc1nc(C)c(CCNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000410145147 565667492 /nfs/dbraw/zinc/66/74/92/565667492.db2.gz JXLWWYVOHOPGGI-UHFFFAOYSA-N 0 0 389.424 3.171 20 30 GGEDRN Cc1nc(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)sc1C ZINC000410148774 565667536 /nfs/dbraw/zinc/66/75/36/565667536.db2.gz SIQFKKRLZKDQIN-UHFFFAOYSA-N 0 0 375.397 3.129 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000410157006 565667866 /nfs/dbraw/zinc/66/78/66/565667866.db2.gz WCCNCYVJDLEKFK-KBPBESRZSA-N 0 0 378.523 3.187 20 30 GGEDRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C1CCS(=O)(=O)CC1 ZINC000329505847 565668638 /nfs/dbraw/zinc/66/86/38/565668638.db2.gz ZNSBNBONDLNYSI-GFCCVEGCSA-N 0 0 391.320 3.353 20 30 GGEDRN C[C@@H]1C[C@H](CCNC(=O)NCc2cc3c(c(Br)c2)OCO3)CCO1 ZINC000329509176 565668792 /nfs/dbraw/zinc/66/87/92/565668792.db2.gz BDSWUSFRVWLNPR-VXGBXAGGSA-N 0 0 399.285 3.387 20 30 GGEDRN CCN(CC)c1nc2sc(C(=O)N[C@@H]3CCCS(=O)(=O)C3)cc2s1 ZINC000329477073 565669038 /nfs/dbraw/zinc/66/90/38/565669038.db2.gz BTFBVJPGAJCHKU-SNVBAGLBSA-N 0 0 387.552 3.086 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)[C@H](CC)Cc2cccc(Br)c2)C1=O ZINC000410180338 565669330 /nfs/dbraw/zinc/66/93/30/565669330.db2.gz XNMSCJIZSYBNPH-WBVHZDCISA-N 0 0 393.325 3.263 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000410177949 565669495 /nfs/dbraw/zinc/66/94/95/565669495.db2.gz KEGJONOHQYRSLL-NSHDSACASA-N 0 0 376.309 3.078 20 30 GGEDRN Cn1nnc2c1C[C@H](C(=O)N[C@H]1CCOc3ccc(Br)cc31)CC2 ZINC000329521658 565669810 /nfs/dbraw/zinc/66/98/10/565669810.db2.gz PBQZPRKTMGQXEG-MFKMUULPSA-N 0 0 391.269 3.163 20 30 GGEDRN COc1ccc(Br)c(CNC(=O)N2CCOCC3(CCC3)C2)c1 ZINC000329517024 565670046 /nfs/dbraw/zinc/67/00/46/565670046.db2.gz MZOCLKFWBXJJQX-UHFFFAOYSA-N 0 0 383.286 3.374 20 30 GGEDRN O=C(Nc1nc2cc3c(cc2s1)OC(F)(F)O3)[C@H]1CCCCS1(=O)=O ZINC000329550006 565670084 /nfs/dbraw/zinc/67/00/84/565670084.db2.gz JCUDDRKGQXQGGB-LLVKDONJSA-N 0 0 390.389 3.173 20 30 GGEDRN C[C@H]1C[C@H](NC(=O)N[C@H]2CCCC(F)(F)C2)c2ccsc2S1(=O)=O ZINC000329547097 565670122 /nfs/dbraw/zinc/67/01/22/565670122.db2.gz HJWUQUJTGWGVNQ-NHCYSSNCSA-N 0 0 378.466 3.437 20 30 GGEDRN COc1cc(NC(=O)[C@@H]2COCCN2C2CCCC2)ncc1Br ZINC000329529511 565670244 /nfs/dbraw/zinc/67/02/44/565670244.db2.gz IKPFQYGTAKHATD-ZDUSSCGKSA-N 0 0 384.274 3.084 20 30 GGEDRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CCn2cncc2C1 ZINC000329558256 565671317 /nfs/dbraw/zinc/67/13/17/565671317.db2.gz CEBBWKODSJDPTF-CYBMUJFWSA-N 0 0 380.279 3.198 20 30 GGEDRN CN(C)Cc1ccc(NC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)cc1Br ZINC000329556586 565671460 /nfs/dbraw/zinc/67/14/60/565671460.db2.gz HLDHQIRZOWGLOA-IVMMDQJWSA-N 0 0 383.286 3.150 20 30 GGEDRN CC(C)(CNC(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1)c1cccc(Br)c1 ZINC000329590283 565672363 /nfs/dbraw/zinc/67/23/63/565672363.db2.gz YJMKNXWLYHUNSG-RCBQFDQVSA-N 0 0 381.314 3.343 20 30 GGEDRN C=CCSCCNC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000174999638 565672848 /nfs/dbraw/zinc/67/28/48/565672848.db2.gz YWNZCRCGYGMJKE-UHFFFAOYSA-N 0 0 378.889 3.234 20 30 GGEDRN COCC1(C)CCN(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC1 ZINC000329601808 565672950 /nfs/dbraw/zinc/67/29/50/565672950.db2.gz FJPFVPLYPNJOGG-JSGCOSHPSA-N 0 0 386.539 3.018 20 30 GGEDRN C[C@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)N(C)CC(F)(F)F ZINC000192238227 565672996 /nfs/dbraw/zinc/67/29/96/565672996.db2.gz PECFCBHURYKVMH-BXKDBHETSA-N 0 0 378.192 3.013 20 30 GGEDRN CN(C[C@H]1CCCCO1)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000329622405 565673048 /nfs/dbraw/zinc/67/30/48/565673048.db2.gz NLRRKPJBPQVSCH-OAHLLOKOSA-N 0 0 383.286 3.299 20 30 GGEDRN O=C(Nc1ccccc1-n1cc(Br)cn1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329602142 565673241 /nfs/dbraw/zinc/67/32/41/565673241.db2.gz FPGGSAMWOCTKLC-NORZTCDRSA-N 0 0 392.253 3.274 20 30 GGEDRN N#Cc1ccc(OC[C@@H](O)CN2CCc3cc(Br)ccc3C2)cc1 ZINC000192247327 565673699 /nfs/dbraw/zinc/67/36/99/565673699.db2.gz MTTAAYCMJQUPBP-SFHVURJKSA-N 0 0 387.277 3.119 20 30 GGEDRN O=C(NC[C@H]1CCCCS1(=O)=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000329629008 565673762 /nfs/dbraw/zinc/67/37/62/565673762.db2.gz HKSPCOZSUGEDMS-CYBMUJFWSA-N 0 0 391.320 3.233 20 30 GGEDRN C#CCCCC(=O)Nc1cc(Br)ccc1Sc1nncn1C ZINC000192248108 565673789 /nfs/dbraw/zinc/67/37/89/565673789.db2.gz CZAVWQGLRGFMQV-UHFFFAOYSA-N 0 0 379.283 3.471 20 30 GGEDRN O=C(N[C@H]1CS(=O)(=O)c2ccccc21)NC1CCC(C(F)(F)F)CC1 ZINC000329637628 565674357 /nfs/dbraw/zinc/67/43/57/565674357.db2.gz YRRWLHBKYXNHDI-XIVSLSHWSA-N 0 0 376.400 3.140 20 30 GGEDRN CCCn1ccnc1CCCN(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000192243866 565674353 /nfs/dbraw/zinc/67/43/53/565674353.db2.gz OUMSLKMZJBPHQB-UHFFFAOYSA-N 0 0 380.901 3.071 20 30 GGEDRN C[C@H](CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)Oc1ccccc1Br ZINC000329626291 565674555 /nfs/dbraw/zinc/67/45/55/565674555.db2.gz GQNWVCFWHDHAOB-YRGRVCCFSA-N 0 0 396.285 3.181 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000192269966 565675024 /nfs/dbraw/zinc/67/50/24/565675024.db2.gz VWSQRFMZMGVBSO-YJBOKZPZSA-N 0 0 376.865 3.268 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC[C@@H]2CCCCS2)s1 ZINC000329663460 565674942 /nfs/dbraw/zinc/67/49/42/565674942.db2.gz PXZITQPOWMNSAJ-UONOGXRCSA-N 0 0 388.580 3.452 20 30 GGEDRN N#Cc1ccsc1NC(=O)CN1CCc2cc(Br)ccc2C1 ZINC000192258376 565675355 /nfs/dbraw/zinc/67/53/55/565675355.db2.gz XAIOHPOLTBXZAO-UHFFFAOYSA-N 0 0 376.279 3.379 20 30 GGEDRN CCn1cc(Br)c(=O)c(NC(=O)[C@@H](C)c2c(C)nn(C)c2C)c1 ZINC000329669268 565675383 /nfs/dbraw/zinc/67/53/83/565675383.db2.gz MGUIPDAMBCZEEB-VIFPVBQESA-N 0 0 381.274 3.373 20 30 GGEDRN C[C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)c3cccn32)c2ccsc2S1(=O)=O ZINC000329674245 565675509 /nfs/dbraw/zinc/67/55/09/565675509.db2.gz TVWAZLDZZYVWFX-VHRBIJSZSA-N 0 0 378.475 3.331 20 30 GGEDRN CCN(C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)C1CCCC1 ZINC000329709572 565676208 /nfs/dbraw/zinc/67/62/08/565676208.db2.gz NCRIHIKWWBMFHW-CQSZACIVSA-N 0 0 385.555 3.080 20 30 GGEDRN CC1(C)CCN(C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)CCS1(=O)=O ZINC000329708324 565676244 /nfs/dbraw/zinc/67/62/44/565676244.db2.gz MDQQQLLLWKOWCR-CHWSQXEVSA-N 0 0 384.464 3.168 20 30 GGEDRN O=C(N[C@H]1CCCS(=O)(=O)C1)c1csc(-c2ccc(Cl)s2)n1 ZINC000329701100 565676437 /nfs/dbraw/zinc/67/64/37/565676437.db2.gz HCDVCQAEIUOMNB-QMMMGPOBSA-N 0 0 376.912 3.407 20 30 GGEDRN CC[C@@H]1C[C@H](C(=O)NCc2nc3cc(Br)cnc3[nH]2)CC(=O)N1 ZINC000329695489 565676491 /nfs/dbraw/zinc/67/64/91/565676491.db2.gz XMRGKVFIBQGKRX-WCBMZHEXSA-N 0 0 380.246 3.322 20 30 GGEDRN N#CCNS(=O)(=O)c1ccc(Oc2cccc(F)c2)c(Br)c1 ZINC000410322169 565676452 /nfs/dbraw/zinc/67/64/52/565676452.db2.gz HHMGPIZYSDSOGQ-UHFFFAOYSA-N 0 0 385.214 3.182 20 30 GGEDRN O=C(NCc1ccc2sccc2c1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000329707848 565676530 /nfs/dbraw/zinc/67/65/30/565676530.db2.gz KTQMMWXBCLEJSR-NVXWUHKLSA-N 0 0 378.519 3.357 20 30 GGEDRN O=C(NCc1cc(Br)c2c(c1)OCCO2)N1C[C@@H]2CCC[C@@H]2C1 ZINC000329688295 565676715 /nfs/dbraw/zinc/67/67/15/565676715.db2.gz BZEYSJRLVPQIRA-BETUJISGSA-N 0 0 381.270 3.366 20 30 GGEDRN Cc1cccc2oc(CCNS(=O)(=O)c3cccc(Cl)c3C#N)nc21 ZINC000410324791 565676773 /nfs/dbraw/zinc/67/67/73/565676773.db2.gz UQCMYZKQAGDEHD-UHFFFAOYSA-N 0 0 375.837 3.182 20 30 GGEDRN CCOc1ccc(Br)cc1S(=O)(=O)N(C)CCC(C)(C)C#N ZINC000410316956 565676901 /nfs/dbraw/zinc/67/69/01/565676901.db2.gz PYMRHIVRMFMVCJ-UHFFFAOYSA-N 0 0 389.315 3.408 20 30 GGEDRN Cc1cccc2oc(CCNS(=O)(=O)c3cc(C#N)ccc3Cl)nc21 ZINC000410324399 565676991 /nfs/dbraw/zinc/67/69/91/565676991.db2.gz RKLDRHBKFYUGMT-UHFFFAOYSA-N 0 0 375.837 3.182 20 30 GGEDRN C=CCN1CC[C@@H](N2CCC[C@H]2c2cc(Br)ccc2OC)C1=O ZINC000410339713 565677475 /nfs/dbraw/zinc/67/74/75/565677475.db2.gz ZYDVPFRNVVSGED-JKSUJKDBSA-N 0 0 379.298 3.382 20 30 GGEDRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)N1CCO[C@H](C#N)C1 ZINC000280524795 565677964 /nfs/dbraw/zinc/67/79/64/565677964.db2.gz NAOMIFTWPQZALA-CYBMUJFWSA-N 0 0 390.237 3.031 20 30 GGEDRN Cc1cccc2c1OC[C@H](NC(=O)N1CCSC[C@@H]1c1nccs1)C2 ZINC000329724953 565678088 /nfs/dbraw/zinc/67/80/88/565678088.db2.gz GCKAYOCJDGPIFH-HUUCEWRRSA-N 0 0 375.519 3.459 20 30 GGEDRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329763842 565678942 /nfs/dbraw/zinc/67/89/42/565678942.db2.gz VACWCCMRIDNKIX-LESCFKLSSA-N 0 0 385.277 3.136 20 30 GGEDRN O=C(N[C@@H]1CSc2ccccc21)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000329770256 565679055 /nfs/dbraw/zinc/67/90/55/565679055.db2.gz IPONCGYFIYSUSO-OAHLLOKOSA-N 0 0 380.535 3.181 20 30 GGEDRN N#Cc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2Br)c1 ZINC000410367710 565679108 /nfs/dbraw/zinc/67/91/08/565679108.db2.gz UIUWMOVOVOHDAK-UHFFFAOYSA-N 0 0 385.670 3.453 20 30 GGEDRN O=C(N[C@@H]1CCCOC1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000329753886 565679475 /nfs/dbraw/zinc/67/94/75/565679475.db2.gz WZQWZKVMBNZPBJ-JKSUJKDBSA-N 0 0 382.302 3.418 20 30 GGEDRN O=C(NCCc1cc(Cl)ccc1Br)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329749787 565679578 /nfs/dbraw/zinc/67/95/78/565679578.db2.gz HRDHJIAWTQIBAJ-WHOFXGATSA-N 0 0 387.705 3.262 20 30 GGEDRN C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329791262 565680346 /nfs/dbraw/zinc/68/03/46/565680346.db2.gz UKFPUINRVOMEAV-ZYHUDNBSSA-N 0 0 391.320 3.404 20 30 GGEDRN O=C(Nc1cnc(N2CCOCC2)c(Br)c1)C1CCC(=O)CC1 ZINC000329796882 565680356 /nfs/dbraw/zinc/68/03/56/565680356.db2.gz FCPDXYIDROUNLN-UHFFFAOYSA-N 0 0 382.258 3.028 20 30 GGEDRN C[C@@H]1C[C@H](C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CCC1=O ZINC000329804311 565680490 /nfs/dbraw/zinc/68/04/90/565680490.db2.gz LYQAYRCVOZZUBJ-VXGBXAGGSA-N 0 0 396.285 3.274 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)NCCCCn1cc(Br)cn1 ZINC000280547749 565680471 /nfs/dbraw/zinc/68/04/71/565680471.db2.gz ZVWIIIYJOHVABL-UHFFFAOYSA-N 0 0 390.285 3.139 20 30 GGEDRN Cc1cc(Br)cc(NC(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)c1 ZINC000329808486 565680631 /nfs/dbraw/zinc/68/06/31/565680631.db2.gz ARSLICNIGIODMB-LLVKDONJSA-N 0 0 379.258 3.454 20 30 GGEDRN N#Cc1ccc2c(c1)N(S(=O)(=O)c1cccc(Br)c1F)CC2 ZINC000410378546 565680726 /nfs/dbraw/zinc/68/07/26/565680726.db2.gz BURVFCADMGXDRZ-UHFFFAOYSA-N 0 0 381.226 3.211 20 30 GGEDRN O=C(Nc1cc(Cl)ccc1OCC1CCC1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329814836 565680842 /nfs/dbraw/zinc/68/08/42/565680842.db2.gz UUSMVSAMHYIBGK-CQSZACIVSA-N 0 0 386.901 3.422 20 30 GGEDRN O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)Nc1ccc(Br)c(F)c1 ZINC000329830762 565681750 /nfs/dbraw/zinc/68/17/50/565681750.db2.gz KGOJHQXEBLQBTJ-SECBINFHSA-N 0 0 383.221 3.285 20 30 GGEDRN CS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@@H]2c2nccs2)s1 ZINC000329840434 565681882 /nfs/dbraw/zinc/68/18/82/565681882.db2.gz ODSNPIUOOYBYNS-GFCCVEGCSA-N 0 0 385.536 3.249 20 30 GGEDRN NC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)C1 ZINC000329832913 565681946 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N#C[C@@H]1N(C(=O)Cc2ccc(Br)cc2)CCC[C@]12CCCCO2 ZINC000329839201 565682564 /nfs/dbraw/zinc/68/25/64/565682564.db2.gz IZTJMUUBFJLXLS-FUHWJXTLSA-N 0 0 377.282 3.445 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000280583150 565682789 /nfs/dbraw/zinc/68/27/89/565682789.db2.gz AFTLSKQUNVSRGW-BMIGLBTASA-N 0 0 387.263 3.038 20 30 GGEDRN N#C[C@@H]1N(C(=O)Cc2ccccc2Br)CCC[C@@]12CCCCO2 ZINC000329847447 565683109 /nfs/dbraw/zinc/68/31/09/565683109.db2.gz MTDOPFRBCCBDLJ-WMZOPIPTSA-N 0 0 377.282 3.445 20 30 GGEDRN O=C(NCc1cc2cc(Br)ccc2[nH]1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329846725 565683201 /nfs/dbraw/zinc/68/32/01/565683201.db2.gz MJESHZLKOMBBME-FSBGKCOPSA-N 0 0 378.270 3.047 20 30 GGEDRN Cc1c(Br)cccc1S(=O)(=O)N(CCC#N)Cc1cccnc1 ZINC000175196269 565683270 /nfs/dbraw/zinc/68/32/70/565683270.db2.gz GGZQRMXQUZIWDD-UHFFFAOYSA-N 0 0 394.294 3.257 20 30 GGEDRN N#C[C@@H]1N(C(=O)Cc2ccccc2Br)CCC[C@]12CCCCO2 ZINC000329847443 565683292 /nfs/dbraw/zinc/68/32/92/565683292.db2.gz MTDOPFRBCCBDLJ-FUHWJXTLSA-N 0 0 377.282 3.445 20 30 GGEDRN C[C@@H](C(=O)Nc1nc2n(c1C#N)CCS2)c1ccc(Br)s1 ZINC000175197058 565683978 /nfs/dbraw/zinc/68/39/78/565683978.db2.gz JTAUDVDPPMLJMJ-SSDOTTSWSA-N 0 0 383.296 3.427 20 30 GGEDRN O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CCOCC2(CC2)C1 ZINC000329864569 565683486 /nfs/dbraw/zinc/68/34/86/565683486.db2.gz SRRXDXYCCUCIJB-UHFFFAOYSA-N 0 0 378.270 3.457 20 30 GGEDRN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329853402 565683534 /nfs/dbraw/zinc/68/35/34/565683534.db2.gz SAZJQHMJBOVZON-ZWNOBZJWSA-N 0 0 379.309 3.005 20 30 GGEDRN CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2nc(CN3CCOCC3)cs2)C1 ZINC000329854580 565683699 /nfs/dbraw/zinc/68/36/99/565683699.db2.gz WNWXXRCPEFIVDE-CABCVRRESA-N 0 0 384.571 3.127 20 30 GGEDRN Cc1ccc(Br)cc1NC(=O)Nc1cc([C@H]2CCCOC2)[nH]n1 ZINC000329905508 565684210 /nfs/dbraw/zinc/68/42/10/565684210.db2.gz JPKATZCTSSZYEA-NSHDSACASA-N 0 0 379.258 3.454 20 30 GGEDRN Cc1ccc2c(ncc(C#N)c2NCC2(S(C)(=O)=O)CC2)c1Br ZINC000280628889 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Cc1nc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)sc1C ZINC000329934182 565685421 /nfs/dbraw/zinc/68/54/21/565685421.db2.gz BWPYKRSXDIUFLR-CQSZACIVSA-N 0 0 379.507 3.449 20 30 GGEDRN COc1ccc(NC(=O)c2ccc(C#N)c(C)n2)c(I)c1 ZINC000192401246 565685381 /nfs/dbraw/zinc/68/53/81/565685381.db2.gz SQKDCOMZVDDVNG-UHFFFAOYSA-N 0 0 393.184 3.127 20 30 GGEDRN Cc1cc(C)c(C(=O)Nc2nc3n(c2C#N)CCS3)cc1Br ZINC000410441022 565685548 /nfs/dbraw/zinc/68/55/48/565685548.db2.gz HFZCVZSMCBPTMJ-UHFFFAOYSA-N 0 0 377.267 3.492 20 30 GGEDRN CC1(C)C[S@](=O)CCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000329924930 565685673 /nfs/dbraw/zinc/68/56/73/565685673.db2.gz HWWSBUGJDYZFLG-RUZDIDTESA-N 0 0 379.551 3.320 20 30 GGEDRN CC1(C)CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC(C)(C)O1 ZINC000410426806 565685696 /nfs/dbraw/zinc/68/56/96/565685696.db2.gz KSLOWCIJJNLJKJ-UHFFFAOYSA-N 0 0 376.400 3.155 20 30 GGEDRN Cc1nc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)sc1C ZINC000329934181 565685743 /nfs/dbraw/zinc/68/57/43/565685743.db2.gz 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GGEDRN O=C(CNC(=O)c1ccc(Br)cc1)N[C@H]1CCOC2(CCC2)C1 ZINC000329986299 565688874 /nfs/dbraw/zinc/68/88/74/565688874.db2.gz FCUQUGIVGKFALA-AWEZNQCLSA-N 0 0 381.270 3.237 20 30 GGEDRN COc1cc(S(=O)(=O)N(CCC#N)CC(C)(C)C)ccc1Br ZINC000175272891 565689325 /nfs/dbraw/zinc/68/93/25/565689325.db2.gz PWWSLRQQKJOWCD-UHFFFAOYSA-N 0 0 389.315 3.408 20 30 GGEDRN CCO[C@@H]1C[C@H](NC(=O)c2cc3sc(N4CCCC4)nc3s2)[C@H]1OC ZINC000330018808 565689536 /nfs/dbraw/zinc/68/95/36/565689536.db2.gz UDBCNWXKMKKYFW-MISXGVKJSA-N 0 0 381.523 3.455 20 30 GGEDRN C[C@H](C(=O)N[C@H]1CCSc2ccc(F)cc21)S(=O)(=O)C1CCOCC1 ZINC000330049310 565689972 /nfs/dbraw/zinc/68/99/72/565689972.db2.gz KQWKGPLYOWDONV-ABAIWWIYSA-N 0 0 387.498 3.301 20 30 GGEDRN CC(C)N1C[C@H](NC(=O)c2cc3sc(N4CCCC4)nc3s2)CC1=O ZINC000330037245 565690002 /nfs/dbraw/zinc/69/00/02/565690002.db2.gz YYKYJROMGSEZDN-LLVKDONJSA-N 0 0 378.523 3.272 20 30 GGEDRN O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)[C@@]1(O)CCSC1 ZINC000330035249 565690167 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C=CCCCN(C)C(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000410691483 565693314 /nfs/dbraw/zinc/69/33/14/565693314.db2.gz VQPLEWFIBYJMTB-UHFFFAOYSA-N 0 0 387.705 3.486 20 30 GGEDRN O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CCO[C@@H](C2CC2)C1 ZINC000330127506 565693854 /nfs/dbraw/zinc/69/38/54/565693854.db2.gz JBSJCRYSAFONBA-CQSZACIVSA-N 0 0 382.251 3.230 20 30 GGEDRN O=C(N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000330142225 565694238 /nfs/dbraw/zinc/69/42/38/565694238.db2.gz QLMYKGFBCUABPQ-QHSOUUPTSA-N 0 0 389.926 3.198 20 30 GGEDRN CC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000330139657 565694435 /nfs/dbraw/zinc/69/44/35/565694435.db2.gz OZPPIXHGBKFNHA-MNOVXSKESA-N 0 0 377.436 3.172 20 30 GGEDRN C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H](C)S1=O ZINC000330132567 565695083 /nfs/dbraw/zinc/69/50/83/565695083.db2.gz QMERXQGLIQNKDB-STQMWFEESA-N 0 0 379.551 3.318 20 30 GGEDRN C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H](C)[S@@]1=O ZINC000330132565 565695106 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C[S@@](=O)Cc1ccc(Cl)c(N[C@H]2CCN(c3sccc3C#N)C2=O)c1 ZINC000177205878 565836330 /nfs/dbraw/zinc/83/63/30/565836330.db2.gz ADMYLBALFVEYHM-HWRSSNJWSA-N 0 0 393.921 3.369 20 30 GGEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(c2ccsc2)CC1 ZINC000332444281 565838055 /nfs/dbraw/zinc/83/80/55/565838055.db2.gz KCEKXDGFCRXQMZ-UHFFFAOYSA-N 0 0 377.447 3.096 20 30 GGEDRN CC[C@H](CC#N)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194804253 565838135 /nfs/dbraw/zinc/83/81/35/565838135.db2.gz RCBIEJDPRRCJSS-SECBINFHSA-N 0 0 385.205 3.438 20 30 GGEDRN CC(C)(C#N)CCCSc1nnc(N2CCOCC2)n1CC(F)(F)F ZINC000177263324 565839301 /nfs/dbraw/zinc/83/93/01/565839301.db2.gz BGZJVKMSXYLWCU-UHFFFAOYSA-N 0 0 377.436 3.099 20 30 GGEDRN CN([C@@](C)(C#N)C1CC1)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000194812950 565839474 /nfs/dbraw/zinc/83/94/74/565839474.db2.gz GACFJGFAVKPTQZ-ZDUSSCGKSA-N 0 0 377.691 3.415 20 30 GGEDRN COc1cccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000194807146 565839644 /nfs/dbraw/zinc/83/96/44/565839644.db2.gz 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C#CCCCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N\[C@@H](C)c1cccs1 ZINC000177401089 565849292 /nfs/dbraw/zinc/84/92/92/565849292.db2.gz DIMNCMIHOKGGKV-QRLKWAFYSA-N 0 0 377.535 3.049 20 30 GGEDRN C=CCNC(=O)c1ccc(N2CCC[C@H]2c2ccc(Br)cn2)nc1 ZINC000413375640 565849270 /nfs/dbraw/zinc/84/92/70/565849270.db2.gz NBPGAOHEQWVNHA-INIZCTEOSA-N 0 0 387.281 3.496 20 30 GGEDRN N#CC1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC1 ZINC000177435928 565850520 /nfs/dbraw/zinc/85/05/20/565850520.db2.gz NQKZDLFKQPXJFL-UHFFFAOYSA-N 0 0 387.839 3.398 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCc2cc(Br)ccc2C1 ZINC000332660886 565851346 /nfs/dbraw/zinc/85/13/46/565851346.db2.gz CQZSQQIVOYLGPT-FZKQIMNGSA-N 0 0 378.314 3.250 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)CN1Cc2cc(Br)ccc2C[C@@H]1C ZINC000332670922 565851405 /nfs/dbraw/zinc/85/14/05/565851405.db2.gz BOXGYBXYFZIXKB-UGSOOPFHSA-N 0 0 378.314 3.250 20 30 GGEDRN CC(C)(C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CC1 ZINC000284365486 565851576 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CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCc2cccc(Br)c2C1 ZINC000332698472 565853335 /nfs/dbraw/zinc/85/33/35/565853335.db2.gz IRCXECKPGOXROX-FZKQIMNGSA-N 0 0 378.314 3.250 20 30 GGEDRN C[C@H](C#N)CN(C)S(=O)(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C ZINC000332699041 565853616 /nfs/dbraw/zinc/85/36/16/565853616.db2.gz UNYGOYFEJVAVNC-GHMZBOCLSA-N 0 0 376.309 3.249 20 30 GGEDRN C[C@H](C#N)CN(C)S(=O)(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C ZINC000332699065 565853771 /nfs/dbraw/zinc/85/37/71/565853771.db2.gz UNYGOYFEJVAVNC-MNOVXSKESA-N 0 0 376.309 3.249 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000332739297 565854576 /nfs/dbraw/zinc/85/45/76/565854576.db2.gz YBQWNVXHPGDBHI-NSHDSACASA-N 0 0 376.309 3.078 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCc2c(Br)ccc(F)c2C1 ZINC000332731249 565855001 /nfs/dbraw/zinc/85/50/01/565855001.db2.gz VQTGAKCUVMAKCC-XIKOKIGWSA-N 0 0 396.304 3.389 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCc2c(Br)ccc(F)c2C1 ZINC000332731247 565855115 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C[C@H]1CCC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000287542454 566024379 /nfs/dbraw/zinc/02/43/79/566024379.db2.gz SLYWWSKPGDWXRU-SMDDNHRTSA-N 0 0 378.270 3.296 20 30 GGEDRN C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H](c2ccsc2)O1 ZINC000246277753 566024447 /nfs/dbraw/zinc/02/44/47/566024447.db2.gz ARJBMQFLQNQKDG-ZBEGNZNMSA-N 0 0 382.894 3.424 20 30 GGEDRN O=C(CCOCC(F)(F)C(F)(F)F)N1CCOc2c(F)c(F)ccc21 ZINC000415997183 566024959 /nfs/dbraw/zinc/02/49/59/566024959.db2.gz ATOUOKWKFMCKGL-UHFFFAOYSA-N 0 0 375.240 3.295 20 30 GGEDRN C[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H](c2ccsc2)O1 ZINC000246346714 566027422 /nfs/dbraw/zinc/02/74/22/566027422.db2.gz FJUKIPLCOQWXFC-BMIGLBTASA-N 0 0 384.429 3.049 20 30 GGEDRN COCCCN(C(=O)c1ccc(C#N)s1)c1ccc(Br)cn1 ZINC000416037675 566028770 /nfs/dbraw/zinc/02/87/70/566028770.db2.gz YVCBIMJKLNCWPL-UHFFFAOYSA-N 0 0 380.267 3.461 20 30 GGEDRN COCCCN(C(=O)Cc1ccc(C#N)cc1)c1ccc(Br)cn1 ZINC000416037122 566028939 /nfs/dbraw/zinc/02/89/39/566028939.db2.gz 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566033179 /nfs/dbraw/zinc/03/31/79/566033179.db2.gz MBALERIWLDWHRE-UHFFFAOYSA-N 0 0 378.270 3.346 20 30 GGEDRN N#Cc1cccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1Br ZINC000416078093 566033399 /nfs/dbraw/zinc/03/33/99/566033399.db2.gz KSKPDIOWKROUAB-LBPRGKRZSA-N 0 0 376.254 3.050 20 30 GGEDRN C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1cccc(C#N)c1Br ZINC000416082033 566033485 /nfs/dbraw/zinc/03/34/85/566033485.db2.gz RKOWLHVRHFUDPC-NSHDSACASA-N 0 0 378.270 3.344 20 30 GGEDRN CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1cccc(C#N)c1Br ZINC000416076786 566033564 /nfs/dbraw/zinc/03/35/64/566033564.db2.gz HKHCROOYCDDUJU-AWEZNQCLSA-N 0 0 378.270 3.296 20 30 GGEDRN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000287706090 566034797 /nfs/dbraw/zinc/03/47/97/566034797.db2.gz NVTODKAITBPEFS-AWEZNQCLSA-N 0 0 375.734 3.171 20 30 GGEDRN N#CCN1CCC[C@@H](CNC(=O)c2cc(F)c(Br)c(Cl)c2)C1 ZINC000287752648 566037917 /nfs/dbraw/zinc/03/79/17/566037917.db2.gz TWSHOLKIVXBAQT-JTQLQIEISA-N 0 0 388.668 3.207 20 30 GGEDRN CCOC(=O)[C@@H](C(=O)Nc1nc(C)c(SCC#N)s1)c1ccccc1 ZINC000416146751 566038516 /nfs/dbraw/zinc/03/85/16/566038516.db2.gz PVUXYHPXJRSBNN-CYBMUJFWSA-N 0 0 375.475 3.353 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000180174111 566039924 /nfs/dbraw/zinc/03/99/24/566039924.db2.gz HLSPXIUVCMZMTI-IAGOWNOFSA-N 0 0 380.828 3.159 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000287972713 566049619 /nfs/dbraw/zinc/04/96/19/566049619.db2.gz JCURAXKJOSJNAY-LLVKDONJSA-N 0 0 376.856 3.468 20 30 GGEDRN C[C@@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180294261 566052883 /nfs/dbraw/zinc/05/28/83/566052883.db2.gz LTSPJZONRGZQSG-AWEZNQCLSA-N 0 0 378.881 3.173 20 30 GGEDRN C=CCNc1ncc(C(=O)Nc2nc(C(C)(C)C(=O)OCC)cs2)s1 ZINC000288039219 566054263 /nfs/dbraw/zinc/05/42/63/566054263.db2.gz CQAMPEGRISAATF-UHFFFAOYSA-N 0 0 380.495 3.291 20 30 GGEDRN N#CC1(CNC(=O)CCC[S@](=O)c2ccc(Br)cc2)CCC1 ZINC000416344214 566055069 /nfs/dbraw/zinc/05/50/69/566055069.db2.gz 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CS(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1Br ZINC000180384664 566060509 /nfs/dbraw/zinc/06/05/09/566060509.db2.gz AMBUDJZRYSRXSA-UHFFFAOYSA-N 0 0 385.264 3.038 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000288231842 566063121 /nfs/dbraw/zinc/06/31/21/566063121.db2.gz FOOZXLQRSUHUFE-UHFFFAOYSA-N 0 0 386.317 3.205 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC23CCCCC3)cc1Br ZINC000288210741 566063265 /nfs/dbraw/zinc/06/32/65/566063265.db2.gz UKVCJGYSCJQQAA-AWEZNQCLSA-N 0 0 376.254 3.098 20 30 GGEDRN C=CCN(CC=C)C(=O)CN[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180464408 566063465 /nfs/dbraw/zinc/06/34/65/566063465.db2.gz VHJLTWDHZNXLJX-ZDUSSCGKSA-N 0 0 395.297 3.072 20 30 GGEDRN CCSCC[C@H](C)N(C)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416416701 566064666 /nfs/dbraw/zinc/06/46/66/566064666.db2.gz WSQAVXZAOACZNH-NSHDSACASA-N 0 0 391.356 3.473 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H]1CCCC(=O)N1 ZINC000288279870 566065892 /nfs/dbraw/zinc/06/58/92/566065892.db2.gz 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N#C[C@H](c1ccc(Br)cc1)N1CCN(CCc2cccnc2)CC1 ZINC000181440168 566140451 /nfs/dbraw/zinc/14/04/51/566140451.db2.gz NYZSOVOJTFHSJU-LJQANCHMSA-N 0 0 385.309 3.269 20 30 GGEDRN O=C1c2cccc(Br)c2OC/C1=C\c1cn(Cc2cccnc2)nn1 ZINC000181438411 566140985 /nfs/dbraw/zinc/14/09/85/566140985.db2.gz PULVCZCUVQPLSF-NTUHNPAUSA-N 0 0 397.232 3.143 20 30 GGEDRN CCn1cc(Br)cc1C(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000366212344 566141362 /nfs/dbraw/zinc/14/13/62/566141362.db2.gz XXHHSBSORVCJMG-RDJZCZTQSA-N 0 0 380.286 3.338 20 30 GGEDRN CCn1cc(Br)cc1C(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000366212346 566141614 /nfs/dbraw/zinc/14/16/14/566141614.db2.gz XXHHSBSORVCJMG-WBVHZDCISA-N 0 0 380.286 3.338 20 30 GGEDRN CSC[C@@](C)(C#N)NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000289852809 566143897 /nfs/dbraw/zinc/14/38/97/566143897.db2.gz FRYPMLRWNZIBFX-OAHLLOKOSA-N 0 0 379.283 3.010 20 30 GGEDRN CC[C@H](CC#N)NC(=O)Nc1c(F)cc(I)cc1F ZINC000417290668 566144404 /nfs/dbraw/zinc/14/44/04/566144404.db2.gz UDTQGNNEPLHLMB-MRVPVSSYSA-N 0 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CSC[C@@](C)(C#N)NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000290001272 566152297 /nfs/dbraw/zinc/15/22/97/566152297.db2.gz VBPZXOZTSCAVAB-CQSZACIVSA-N 0 0 375.372 3.172 20 30 GGEDRN COC(=O)Nc1cc(C(=O)N[C@@](C)(C#N)CSC)cc(C(F)(F)F)c1 ZINC000290004379 566152350 /nfs/dbraw/zinc/15/23/50/566152350.db2.gz VKTWNTBQHFRDTC-AWEZNQCLSA-N 0 0 375.372 3.259 20 30 GGEDRN C=C(C)Cn1c(-c2ncccn2)nnc1N(C)Cc1ccc(Br)o1 ZINC000417497731 566152753 /nfs/dbraw/zinc/15/27/53/566152753.db2.gz DPGQEXNDAIHKFX-UHFFFAOYSA-N 0 0 389.257 3.303 20 30 GGEDRN CSC[C@@](C)(C#N)NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000290019503 566153149 /nfs/dbraw/zinc/15/31/49/566153149.db2.gz WWMFIWNPCVKUAQ-QGZVFWFLSA-N 0 0 375.885 3.173 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(Br)cc(C(=O)OC)c1C ZINC000417561591 566157768 /nfs/dbraw/zinc/15/77/68/566157768.db2.gz AUTXCSXNZQSKPA-OCCSQVGLSA-N 0 0 383.242 3.009 20 30 GGEDRN C=CCCOCCNC(=O)Nc1cc(Br)cc(C(=O)OC)c1C ZINC000417560212 566157786 /nfs/dbraw/zinc/15/77/86/566157786.db2.gz 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Cc1ccsc1CCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000483593311 566392477 /nfs/dbraw/zinc/39/24/77/566392477.db2.gz PQYGKJIXFOCHHT-ZDUSSCGKSA-N 0 0 377.491 3.107 20 30 GGEDRN C=CCN(CC=C)C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000463226931 566392879 /nfs/dbraw/zinc/39/28/79/566392879.db2.gz OCJFOTNZLZGNEQ-INIZCTEOSA-N 0 0 392.297 3.246 20 30 GGEDRN Cc1ccc(Br)c2ncc(C#N)c(NCc3nnc(C4CC4)o3)c12 ZINC000601147228 566393454 /nfs/dbraw/zinc/39/34/54/566393454.db2.gz JRBRPUWLWYKEIA-UHFFFAOYSA-N 0 0 384.237 3.472 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000576952523 566393362 /nfs/dbraw/zinc/39/33/62/566393362.db2.gz LWFZWHMMBXRBDQ-CYBMUJFWSA-N 0 0 382.302 3.477 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1csnc1C(=O)OC ZINC000447190404 566393964 /nfs/dbraw/zinc/39/39/64/566393964.db2.gz GHSYNEKHFPFXNR-UHFFFAOYSA-N 0 0 392.911 3.022 20 30 GGEDRN C=CCOc1ccccc1CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000536697388 566394458 /nfs/dbraw/zinc/39/44/58/566394458.db2.gz 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CCOC(=O)c1c(NC(=O)c2cc(Br)co2)c(C#N)cn1CC ZINC000421724378 566402811 /nfs/dbraw/zinc/40/28/11/566402811.db2.gz BGTDXCDTNYBRAY-UHFFFAOYSA-N 0 0 380.198 3.164 20 30 GGEDRN N#Cc1ccnc(Sc2nnnn2-c2ccc(Br)cc2)c1Cl ZINC000557634076 566403833 /nfs/dbraw/zinc/40/38/33/566403833.db2.gz QPOALXLJYAPTLM-UHFFFAOYSA-N 0 0 393.657 3.496 20 30 GGEDRN C[C@H](NC(=O)C(=O)N1CCc2ccc(C#N)cc21)c1ccc(Br)cc1 ZINC000447338164 566404295 /nfs/dbraw/zinc/40/42/95/566404295.db2.gz PSVDFWIYBSDYOP-LBPRGKRZSA-N 0 0 398.260 3.087 20 30 GGEDRN N#CCc1ccccc1S(=O)(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000601394133 566404297 /nfs/dbraw/zinc/40/42/97/566404297.db2.gz OHGFVWJDPCCORH-KRWDZBQOSA-N 0 0 376.865 3.168 20 30 GGEDRN Cc1cnc(C2CCN(S(=O)(=O)c3c(C)cc(F)cc3C#N)CC2)s1 ZINC000601403362 566404396 /nfs/dbraw/zinc/40/43/96/566404396.db2.gz GGLVWIKKBAKSFM-UHFFFAOYSA-N 0 0 379.482 3.339 20 30 GGEDRN C[C@@H](NC(=O)C(=O)N1CCc2ccc(C#N)cc21)c1ccc(Br)cc1 ZINC000447330659 566404708 /nfs/dbraw/zinc/40/47/08/566404708.db2.gz 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ZINC000425772209 566676228 /nfs/dbraw/zinc/67/62/28/566676228.db2.gz VGMBDGCNHNXZSX-JBLDHEPKSA-N 0 0 378.270 3.071 20 30 GGEDRN N#Cc1ccc(OCC(=O)N2CCC[C@H]2[C@@H]2CCCC2=O)cc1Br ZINC000450483482 566676354 /nfs/dbraw/zinc/67/63/54/566676354.db2.gz ZKUILECZPJKEBT-HOCLYGCPSA-N 0 0 391.265 3.060 20 30 GGEDRN N#Cc1cc(Br)cnc1NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000450485359 566676396 /nfs/dbraw/zinc/67/63/96/566676396.db2.gz JFLPDXXTIUEESZ-DOTOQJQBSA-N 0 0 376.229 3.433 20 30 GGEDRN Cc1c(NC(=O)C(=O)NC2(C3CCC3)CCC2)ccc(Br)c1C#N ZINC000425780473 566676782 /nfs/dbraw/zinc/67/67/82/566676782.db2.gz LIDIRXAPPUMGAG-UHFFFAOYSA-N 0 0 390.281 3.407 20 30 GGEDRN Cc1c(NC(=O)C(=O)N(CC(C)C)C(C)C)ccc(Br)c1C#N ZINC000425777162 566676889 /nfs/dbraw/zinc/67/68/89/566676889.db2.gz ZVPZONQILGSIFQ-UHFFFAOYSA-N 0 0 380.286 3.461 20 30 GGEDRN Cc1c(NC(=O)C(=O)NC[C@@H]2CC[C@H](C)C2)ccc(Br)c1C#N ZINC000425779523 566677129 /nfs/dbraw/zinc/67/71/29/566677129.db2.gz ZAGOUJHZGDPCIC-CMPLNLGQSA-N 0 0 378.270 3.120 20 30 GGEDRN Cc1c(NC(=O)C(=O)N[C@@H]2C[C@@]2(C)C(C)C)ccc(Br)c1C#N ZINC000425774623 566677322 /nfs/dbraw/zinc/67/73/22/566677322.db2.gz CHPXQIZFTDKMJA-PBHICJAKSA-N 0 0 378.270 3.119 20 30 GGEDRN Cc1c(NC(=O)C(=O)N[C@H](C)CCC2CC2)ccc(Br)c1C#N ZINC000425776598 566677367 /nfs/dbraw/zinc/67/73/67/566677367.db2.gz YWDOXYROEBZCFD-SNVBAGLBSA-N 0 0 378.270 3.263 20 30 GGEDRN C=CCN1CC[C@H](N(C)c2ccnc3cc(F)c(Br)cc32)C1=O ZINC000450498762 566678063 /nfs/dbraw/zinc/67/80/63/566678063.db2.gz JDSGIMJFQJZCRH-INIZCTEOSA-N 0 0 378.245 3.360 20 30 GGEDRN N#Cc1cncc(S(=O)(=O)NC2(c3ccc(Br)cc3)CCC2)c1 ZINC000580248721 566678122 /nfs/dbraw/zinc/67/81/22/566678122.db2.gz QCBZONAGTAXFMV-UHFFFAOYSA-N 0 0 392.278 3.073 20 30 GGEDRN CCc1cc(N2CCC[C@@H](Nc3ncc(Br)cc3C#N)C2)ncn1 ZINC000580282061 566679591 /nfs/dbraw/zinc/67/95/91/566679591.db2.gz KXKWOZRPBRVFMA-OAHLLOKOSA-N 0 0 387.285 3.149 20 30 GGEDRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1ncc(Br)cc1C#N ZINC000450505482 566679605 /nfs/dbraw/zinc/67/96/05/566679605.db2.gz CVBYZZYZZJPUAZ-ZDUSSCGKSA-N 0 0 387.281 3.372 20 30 GGEDRN C=CCN(C(=O)[C@H](C)c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000607825627 566681236 /nfs/dbraw/zinc/68/12/36/566681236.db2.gz BUKOXURRPDHDBG-CHWSQXEVSA-N 0 0 375.412 3.011 20 30 GGEDRN C=CCN(C(=O)[C@@H](C)c1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000607825630 566681253 /nfs/dbraw/zinc/68/12/53/566681253.db2.gz BUKOXURRPDHDBG-STQMWFEESA-N 0 0 375.412 3.011 20 30 GGEDRN COC(=O)c1cccc(NC(=O)Cc2c(F)cccc2C#N)c1Br ZINC000514962844 566681390 /nfs/dbraw/zinc/68/13/90/566681390.db2.gz SZRHIOOJHJXWTP-UHFFFAOYSA-N 0 0 391.196 3.428 20 30 GGEDRN CN(CCOCc1ccc(C#N)cc1)c1ccc(I)cn1 ZINC000450529248 566681664 /nfs/dbraw/zinc/68/16/64/566681664.db2.gz SXVPJOHUQSHCTM-UHFFFAOYSA-N 0 0 393.228 3.211 20 30 GGEDRN COc1ccc(Br)cc1CNc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000561153316 566681772 /nfs/dbraw/zinc/68/17/72/566681772.db2.gz JHWZAKNLXLUATK-UHFFFAOYSA-N 0 0 377.198 3.432 20 30 GGEDRN Cc1nsc(N2CCN(Cc3sccc3Br)CC2)c1C#N ZINC000561159142 566681780 /nfs/dbraw/zinc/68/17/80/566681780.db2.gz RYVHHHJTZNMUNX-UHFFFAOYSA-N 0 0 383.340 3.469 20 30 GGEDRN N#Cc1cc(NCc2cc3c(c(Br)c2)OCO3)cc(N)c1[N+](=O)[O-] ZINC000561153348 566682068 /nfs/dbraw/zinc/68/20/68/566682068.db2.gz JTVBBCNAHGHPEL-UHFFFAOYSA-N 0 0 391.181 3.152 20 30 GGEDRN N#CCc1ccc(S(=O)(=O)N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000514994141 566682522 /nfs/dbraw/zinc/68/25/22/566682522.db2.gz KCXPLENVKGDHHW-DOTOQJQBSA-N 0 0 380.897 3.128 20 30 GGEDRN C[C@@H](Nc1nccc(C#N)n1)c1ccc(Br)cc1OCCCO ZINC000450542718 566682611 /nfs/dbraw/zinc/68/26/11/566682611.db2.gz WOHDHZJTLUEAAY-LLVKDONJSA-N 0 0 377.242 3.045 20 30 GGEDRN Cc1nsc(NCCCNC(=O)c2cccc(Br)c2)c1C#N ZINC000561186253 566683510 /nfs/dbraw/zinc/68/35/10/566683510.db2.gz VCVMUDALFLKUPW-UHFFFAOYSA-N 0 0 379.283 3.318 20 30 GGEDRN C[C@@H]1C[C@@H](CCNC(=O)COc2ccc(C#N)c(Br)c2)CCO1 ZINC000450552455 566684023 /nfs/dbraw/zinc/68/40/23/566684023.db2.gz HVZANPQTZNWCCV-OLZOCXBDSA-N 0 0 381.270 3.021 20 30 GGEDRN COC(=O)c1cc(F)c(Br)cc1NC(=O)Cc1ccc(C#N)cc1 ZINC000515013839 566684127 /nfs/dbraw/zinc/68/41/27/566684127.db2.gz JAQUUEJRYYTQBD-UHFFFAOYSA-N 0 0 391.196 3.428 20 30 GGEDRN C[C@H]1C[C@@H](CCNC(=O)COc2cccc(Br)c2C#N)CCO1 ZINC000450552139 566684141 /nfs/dbraw/zinc/68/41/41/566684141.db2.gz HBHCEXUYOMAUBT-STQMWFEESA-N 0 0 381.270 3.021 20 30 GGEDRN COCC[C@@H](Cc1ccco1)NC(=O)c1cccc(C#N)c1Br ZINC000450546351 566684309 /nfs/dbraw/zinc/68/43/09/566684309.db2.gz GVBJAADQSONANN-ZDUSSCGKSA-N 0 0 377.238 3.291 20 30 GGEDRN N#Cc1cc2c(nc1N1CCc3c(F)ccc(Br)c3C1)CCOC2 ZINC000450555616 566684451 /nfs/dbraw/zinc/68/44/51/566684451.db2.gz MBKQAZPJFPMTQZ-UHFFFAOYSA-N 0 0 388.240 3.490 20 30 GGEDRN C=CCSCCNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000540961523 566685247 /nfs/dbraw/zinc/68/52/47/566685247.db2.gz DCRNAJYHEUNCLD-UHFFFAOYSA-N 0 0 385.511 3.101 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)NCCc2cc(C(F)(F)F)ccn2)c1 ZINC000580334978 566685309 /nfs/dbraw/zinc/68/53/09/566685309.db2.gz ZXTOQBSQAZGKHY-UHFFFAOYSA-N 0 0 389.786 3.146 20 30 GGEDRN C=CCSCCNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000540958730 566685346 /nfs/dbraw/zinc/68/53/46/566685346.db2.gz CHXNGWHRNROMPT-UHFFFAOYSA-N 0 0 395.575 3.154 20 30 GGEDRN CN(C(=O)CNc1cccc(I)c1)C1(C#N)CCCCC1 ZINC000515022542 566685858 /nfs/dbraw/zinc/68/58/58/566685858.db2.gz UXMFOTWMQQNOEB-UHFFFAOYSA-N 0 0 397.260 3.388 20 30 GGEDRN N#Cc1cccc(C(=O)NCc2nnc(C3CC3)n2C2CC2)c1Br ZINC000450576096 566686021 /nfs/dbraw/zinc/68/60/21/566686021.db2.gz AQCZBJNUMORYHB-UHFFFAOYSA-N 0 0 386.253 3.055 20 30 GGEDRN N#CCNC(=O)CNc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000425999053 566686322 /nfs/dbraw/zinc/68/63/22/566686322.db2.gz BUGGDZKLHDYGHX-UHFFFAOYSA-N 0 0 377.231 3.297 20 30 GGEDRN C=CCCN(C)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000468186715 566687309 /nfs/dbraw/zinc/68/73/09/566687309.db2.gz BZTUVGJKXRNUFG-UHFFFAOYSA-N 0 0 379.298 3.336 20 30 GGEDRN COC1CCC(CCNC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000450591831 566687280 /nfs/dbraw/zinc/68/72/80/566687280.db2.gz GFWRQUURIDRMNJ-UHFFFAOYSA-N 0 0 395.297 3.411 20 30 GGEDRN C[C@@H](CNC(=O)COc1cccc(Br)c1C#N)c1nccs1 ZINC000450590524 566687464 /nfs/dbraw/zinc/68/74/64/566687464.db2.gz WAKSCEMIKFPZNA-JTQLQIEISA-N 0 0 380.267 3.076 20 30 GGEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C[C@H]1CCOC1)C1CC1 ZINC000580364882 566688102 /nfs/dbraw/zinc/68/81/02/566688102.db2.gz CVOJJZWFJFVVTL-GFCCVEGCSA-N 0 0 392.301 3.227 20 30 GGEDRN N#Cc1ccc(OCC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000561228514 566688313 /nfs/dbraw/zinc/68/83/13/566688313.db2.gz AQDPIXKMBSEBKJ-QGZVFWFLSA-N 0 0 379.243 3.484 20 30 GGEDRN N#Cc1ccsc1NC(=O)CN[C@H](CCO)c1ccccc1Br ZINC000541019247 566688373 /nfs/dbraw/zinc/68/83/73/566688373.db2.gz DSTAXCFNHFZULU-CQSZACIVSA-N 0 0 394.294 3.034 20 30 GGEDRN CC(=O)NCCN(Cc1ccc(Br)s1)c1ccc(C#N)c(C)n1 ZINC000487726940 566688560 /nfs/dbraw/zinc/68/85/60/566688560.db2.gz ZCGSEZUXYUSRDG-UHFFFAOYSA-N 0 0 393.310 3.228 20 30 GGEDRN CCCS(=O)(=O)Nc1cc(NC(=O)c2ccc(C#N)s2)c(F)cc1F ZINC000487720117 566688595 /nfs/dbraw/zinc/68/85/95/566688595.db2.gz MBUHKFGAIZNNPQ-UHFFFAOYSA-N 0 0 385.417 3.302 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000487783225 566689706 /nfs/dbraw/zinc/68/97/06/566689706.db2.gz OTIRLJAGUVDYHK-QWHCGFSZSA-N 0 0 397.313 3.496 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000487771494 566690064 /nfs/dbraw/zinc/69/00/64/566690064.db2.gz QFGNSKHPELRVOD-IUODEOHRSA-N 0 0 395.297 3.250 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000487782224 566690154 /nfs/dbraw/zinc/69/01/54/566690154.db2.gz LNWBKXQXSRUDNN-AWEZNQCLSA-N 0 0 393.325 3.458 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000487783226 566690185 /nfs/dbraw/zinc/69/01/85/566690185.db2.gz OTIRLJAGUVDYHK-STQMWFEESA-N 0 0 397.313 3.496 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000487800015 566691110 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C=CCN(Cc1ccc(Cl)s1)C(=O)c1cn(CCOC)c(C)cc1=O ZINC000580557662 566704019 /nfs/dbraw/zinc/70/40/19/566704019.db2.gz UNCLGUSNDXVEGP-UHFFFAOYSA-N 0 0 380.897 3.346 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn(CCOC)c1 ZINC000630114815 566704147 /nfs/dbraw/zinc/70/41/47/566704147.db2.gz VYTLTBDNBCJPFR-UHFFFAOYSA-N 0 0 396.260 3.260 20 30 GGEDRN Cc1cc(Br)ccc1NC(=O)CNCc1ccc(C#N)cc1F ZINC000561438418 566704387 /nfs/dbraw/zinc/70/43/87/566704387.db2.gz RVZJHPIMFMUHAZ-UHFFFAOYSA-N 0 0 376.229 3.497 20 30 GGEDRN N#CC1(c2nc(CNC(=O)c3ccc(Br)cc3)no2)CCCCC1 ZINC000515330287 566705617 /nfs/dbraw/zinc/70/56/17/566705617.db2.gz WEWVZCZIUFPALU-UHFFFAOYSA-N 0 0 389.253 3.488 20 30 GGEDRN N#Cc1cnc2c(F)c(F)c(F)cc2c1NCCn1cc(Br)cn1 ZINC000561448018 566706615 /nfs/dbraw/zinc/70/66/15/566706615.db2.gz KPYOGUNCLJDMDF-UHFFFAOYSA-N 0 0 396.170 3.017 20 30 GGEDRN CC#CCN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000580596033 566706966 /nfs/dbraw/zinc/70/69/66/566706966.db2.gz JQIHESMNCFZVEE-UHFFFAOYSA-N 0 0 376.865 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HFNOKHZBBFUGEO-SFHVURJKSA-N 0 0 375.259 3.361 20 30 GGEDRN N#C[C@H]1N(S(=O)(=O)CCc2ccc(Cl)cc2)CCC[C@@]12CCCCO2 ZINC000580709061 566716549 /nfs/dbraw/zinc/71/65/49/566716549.db2.gz JISUXCHQNGPAAM-MSOLQXFVSA-N 0 0 382.913 3.140 20 30 GGEDRN CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000426542746 566716929 /nfs/dbraw/zinc/71/69/29/566716929.db2.gz VKZJAFKAXSWODM-UHFFFAOYSA-N 0 0 390.212 3.057 20 30 GGEDRN N#C[C@@H]1N(C(=O)C(=O)c2ccc(Br)cc2)CCC[C@@]12CCCCO2 ZINC000468632450 566716810 /nfs/dbraw/zinc/71/68/10/566716810.db2.gz PDADKUOIJNRZFL-YJBOKZPZSA-N 0 0 391.265 3.086 20 30 GGEDRN N#Cc1c(Br)cccc1S(=O)(=O)N1CCc2cccc(F)c21 ZINC000561539027 566717447 /nfs/dbraw/zinc/71/74/47/566717447.db2.gz UUPHBGNPGJBGDX-UHFFFAOYSA-N 0 0 381.226 3.211 20 30 GGEDRN N#Cc1cccc(CNC(=O)CSCCOCC(F)(F)C(F)(F)F)c1 ZINC000468630841 566717520 /nfs/dbraw/zinc/71/75/20/566717520.db2.gz IHMYNZGUYKKWKK-UHFFFAOYSA-N 0 0 382.354 3.122 20 30 GGEDRN CCC(=O)Nc1cccc(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000515515044 566717694 /nfs/dbraw/zinc/71/76/94/566717694.db2.gz FPJKICRLLZLXLV-UHFFFAOYSA-N 0 0 377.853 3.039 20 30 GGEDRN COc1ccc(Br)cc1C[C@H](CO)CNc1snc(C)c1C#N ZINC000450889172 566717827 /nfs/dbraw/zinc/71/78/27/566717827.db2.gz PSRJQHBWZJYPJG-NSHDSACASA-N 0 0 396.310 3.357 20 30 GGEDRN COc1ccc(Br)cc1C[C@@H](CO)CNc1snc(C)c1C#N ZINC000450889171 566717845 /nfs/dbraw/zinc/71/78/45/566717845.db2.gz PSRJQHBWZJYPJG-LLVKDONJSA-N 0 0 396.310 3.357 20 30 GGEDRN Cc1cc(NC[C@@H](CO)Cc2ccc(F)c(Br)c2)cc(C#N)n1 ZINC000450889359 566717868 /nfs/dbraw/zinc/71/78/68/566717868.db2.gz QISMZUAILMXHLA-ZDUSSCGKSA-N 0 0 378.245 3.426 20 30 GGEDRN C=CCN(CC=C)C(=O)C(=O)N[C@@H](CC)c1cc(F)cc(Br)c1 ZINC000580735173 566717903 /nfs/dbraw/zinc/71/79/03/566717903.db2.gz ZLKRTYMLYRJICX-HNNXBMFYSA-N 0 0 383.261 3.356 20 30 GGEDRN CN(Cc1cc(Br)ccc1Cl)S(=O)(=O)c1ccc(C#N)o1 ZINC000561543948 566718688 /nfs/dbraw/zinc/71/86/88/566718688.db2.gz ZZZPIVIASMXYRX-UHFFFAOYSA-N 0 0 389.658 3.388 20 30 GGEDRN C[C@@H](Cc1ccc(Br)cc1)NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000515522082 566719104 /nfs/dbraw/zinc/71/91/04/566719104.db2.gz UVPRTKNHABSTBH-ZDUSSCGKSA-N 0 0 393.306 3.371 20 30 GGEDRN C=CCC[C@H](CO)Nc1ncnc(CC(C)C)c1I ZINC000450919923 566720673 /nfs/dbraw/zinc/72/06/73/566720673.db2.gz ZZQZSSXGZKUSGZ-LLVKDONJSA-N 0 0 375.254 3.019 20 30 GGEDRN N#Cc1ccc(C(=O)CNC(=O)c2nc3ccccc3cc2Br)cc1 ZINC000488345633 566721257 /nfs/dbraw/zinc/72/12/57/566721257.db2.gz JROAVIHBIGFJRW-UHFFFAOYSA-N 0 0 394.228 3.482 20 30 GGEDRN COCC(C)(C)CCCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000561563115 566721272 /nfs/dbraw/zinc/72/12/72/566721272.db2.gz VHMBVVGSTOGUBK-UHFFFAOYSA-N 0 0 378.416 3.308 20 30 GGEDRN CC1(C)Oc2ccsc2[C@@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)[C@@H]1O ZINC000580759960 566721728 /nfs/dbraw/zinc/72/17/28/566721728.db2.gz OZTTZOJNVBSOKW-OCCSQVGLSA-N 0 0 378.841 3.063 20 30 GGEDRN COc1cc(Br)c(F)cc1S(=O)(=O)NCC(C)(C)CCC#N ZINC000561563061 566721903 /nfs/dbraw/zinc/72/19/03/566721903.db2.gz SBXSETRTQYEQPV-UHFFFAOYSA-N 0 0 393.278 3.205 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)c1cc(Br)c(C)[nH]c1=O ZINC000426656595 566722039 /nfs/dbraw/zinc/72/20/39/566722039.db2.gz ZAXFGYITEURJQQ-UHFFFAOYSA-N 0 0 376.210 3.381 20 30 GGEDRN CN([C@@H]1C[C@@H](Oc2ccccc2)C1(C)C)S(=O)(=O)c1ccc(C#N)s1 ZINC000561563494 566722166 /nfs/dbraw/zinc/72/21/66/566722166.db2.gz MJBZMGDLULSIRQ-HZPDHXFCSA-N 0 0 376.503 3.486 20 30 GGEDRN C=CCn1cccc1C(=O)N[C@@H](CC(=O)OC)c1ccc(Br)cc1 ZINC000488391150 566723440 /nfs/dbraw/zinc/72/34/40/566723440.db2.gz CRUBQHLYAHCBCC-HNNXBMFYSA-N 0 0 391.265 3.471 20 30 GGEDRN C=CCc1ccccc1OC[C@H](O)CNCc1nc(C)c(Br)s1 ZINC000515637825 566725112 /nfs/dbraw/zinc/72/51/12/566725112.db2.gz FNZGUJAQJSGEBQ-CQSZACIVSA-N 0 0 397.338 3.472 20 30 GGEDRN COc1ccc(Br)cc1[C@@H]([NH2+]Cc1cccc(C#N)c1)C(=O)[O-] ZINC000426738753 566725337 /nfs/dbraw/zinc/72/53/37/566725337.db2.gz YOHGJCGFWPCTNQ-MRXNPFEDSA-N 0 0 375.222 3.245 20 30 GGEDRN N#CCCCNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000541452110 566726103 /nfs/dbraw/zinc/72/61/03/566726103.db2.gz YGMLKKDFPUYOKQ-UHFFFAOYSA-N 0 0 381.152 3.210 20 30 GGEDRN N#CCCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000541453992 566726464 /nfs/dbraw/zinc/72/64/64/566726464.db2.gz UBQXPTTXVOPAJX-UHFFFAOYSA-N 0 0 377.853 3.174 20 30 GGEDRN N#Cc1ccc(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)[nH]1 ZINC000468750004 566726682 /nfs/dbraw/zinc/72/66/82/566726682.db2.gz UJVWSAXZNODONJ-UHFFFAOYSA-N 0 0 387.237 3.137 20 30 GGEDRN CCc1cnc(CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)s1 ZINC000515677890 566727200 /nfs/dbraw/zinc/72/72/00/566727200.db2.gz DZHBPDGGWDIVNX-UHFFFAOYSA-N 0 0 376.507 3.191 20 30 GGEDRN CN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000468773945 566728734 /nfs/dbraw/zinc/72/87/34/566728734.db2.gz BCAWQICSRMBSGW-OAHLLOKOSA-N 0 0 375.416 3.323 20 30 GGEDRN CN1C[C@H](CNC(=O)c2cccc(C#N)c2Br)Cc2ccccc21 ZINC000450988969 566730330 /nfs/dbraw/zinc/73/03/30/566730330.db2.gz PCVUPMVZKQCODZ-ZDUSSCGKSA-N 0 0 384.277 3.359 20 30 GGEDRN C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C[C@H](C(F)(F)F)O1 ZINC000608746682 566730653 /nfs/dbraw/zinc/73/06/53/566730653.db2.gz HQTQCIKUVGLCST-RDDDGLTNSA-N 0 0 395.296 3.185 20 30 GGEDRN CN(CCCOc1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000515757209 566731082 /nfs/dbraw/zinc/73/10/82/566731082.db2.gz YAGADMYDOQYTGB-UHFFFAOYSA-N 0 0 378.881 3.442 20 30 GGEDRN N#C[C@@H]1CN(C(=O)C2(c3ccccc3Br)CCCCC2)CCO1 ZINC000515768765 566731864 /nfs/dbraw/zinc/73/18/64/566731864.db2.gz CQROJYRGQNSTKR-CQSZACIVSA-N 0 0 377.282 3.402 20 30 GGEDRN C[C@H](Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000515758667 566732280 /nfs/dbraw/zinc/73/22/80/566732280.db2.gz HUTVHNSAALZZCS-GFCCVEGCSA-N 0 0 379.279 3.230 20 30 GGEDRN Cc1cccc(OCCN(C)S(=O)(=O)c2ccc(CC#N)cc2Cl)c1 ZINC000451003372 566732338 /nfs/dbraw/zinc/73/23/38/566732338.db2.gz LBBUSQFNICFRQP-UHFFFAOYSA-N 0 0 378.881 3.414 20 30 GGEDRN Cc1cccc(CNS(=O)(=O)Cc2cc(C#N)ccc2F)c1Br ZINC000468814752 566732471 /nfs/dbraw/zinc/73/24/71/566732471.db2.gz DTOHYHNGCWDERI-UHFFFAOYSA-N 0 0 397.269 3.388 20 30 GGEDRN CC[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451001656 566732596 /nfs/dbraw/zinc/73/25/96/566732596.db2.gz QKGGFWLWYFNTTM-MRXNPFEDSA-N 0 0 378.881 3.372 20 30 GGEDRN COc1ccc([C@@H](C)NS(=O)(=O)CC2(CC#N)CC2)cc1Br ZINC000451000308 566732905 /nfs/dbraw/zinc/73/29/05/566732905.db2.gz OYBPHDAIXGWSEC-LLVKDONJSA-N 0 0 387.299 3.132 20 30 GGEDRN C[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C[C@H](C(F)(F)F)O1 ZINC000608751645 566733142 /nfs/dbraw/zinc/73/31/42/566733142.db2.gz TUXGEGLBCGDYBX-RDDDGLTNSA-N 0 0 395.296 3.185 20 30 GGEDRN N#Cc1ccc(NCC(=O)Nc2ccc(F)cc2I)cc1 ZINC000426852779 566734480 /nfs/dbraw/zinc/73/44/80/566734480.db2.gz CJWDWGNYNOVCEQ-UHFFFAOYSA-N 0 0 395.175 3.353 20 30 GGEDRN C=C[C@@H](CO)NC(=O)c1cc(Br)ccc1OCc1ccccc1 ZINC000426851397 566734941 /nfs/dbraw/zinc/73/49/41/566734941.db2.gz PRHOWNDKQQWCMH-HNNXBMFYSA-N 0 0 376.250 3.305 20 30 GGEDRN O=C(Cc1ccc(I)cc1)NCC#Cc1ccccc1 ZINC000488563266 566735052 /nfs/dbraw/zinc/73/50/52/566735052.db2.gz JFZNLWTVWBKMPM-UHFFFAOYSA-N 0 0 375.209 3.002 20 30 GGEDRN CC(C)c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1C ZINC000608785891 566735698 /nfs/dbraw/zinc/73/56/98/566735698.db2.gz ZNCUTKRTSMMZIQ-SNVBAGLBSA-N 0 0 375.523 3.480 20 30 GGEDRN N#Cc1cccc(NC(=O)NCc2cn(-c3ccccc3Br)nn2)c1 ZINC000608782583 566735850 /nfs/dbraw/zinc/73/58/50/566735850.db2.gz JQJWEJMBPZDAEX-UHFFFAOYSA-N 0 0 397.236 3.223 20 30 GGEDRN C=C[C@H](CO)NC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC000426857257 566735753 /nfs/dbraw/zinc/73/57/53/566735753.db2.gz GTYBEQGOJBCUIN-WBVHZDCISA-N 0 0 376.250 3.232 20 30 GGEDRN C=C(C)CNC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000488593251 566736028 /nfs/dbraw/zinc/73/60/28/566736028.db2.gz ITYYEVBPSBWUGV-OAHLLOKOSA-N 0 0 380.286 3.128 20 30 GGEDRN CCOC(=O)C[C@@](C)(NC(=O)c1cccc(C#N)c1Br)C(C)C ZINC000451020028 566736208 /nfs/dbraw/zinc/73/62/08/566736208.db2.gz YELHUTGVBWWJNK-QGZVFWFLSA-N 0 0 381.270 3.418 20 30 GGEDRN C=C[C@H](CO)NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC000426863164 566736403 /nfs/dbraw/zinc/73/64/03/566736403.db2.gz XIIDUFVTYQEVEG-PBHICJAKSA-N 0 0 376.250 3.232 20 30 GGEDRN C=C(C)CNC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000488593249 566736324 /nfs/dbraw/zinc/73/63/24/566736324.db2.gz ITYYEVBPSBWUGV-HNNXBMFYSA-N 0 0 380.286 3.128 20 30 GGEDRN N#Cc1ccccc1N1CCN(Cc2cn3cc(Br)ccc3n2)CC1 ZINC000608784393 566736381 /nfs/dbraw/zinc/73/63/81/566736381.db2.gz LYRYCEYWVUBSHW-UHFFFAOYSA-N 0 0 396.292 3.291 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000580937157 566736816 /nfs/dbraw/zinc/73/68/16/566736816.db2.gz JYWXXQILLPIQFE-AXAPSJFSSA-N 0 0 382.254 3.004 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000468857512 566737565 /nfs/dbraw/zinc/73/75/65/566737565.db2.gz HFLDGTHSNUJJAA-QWHCGFSZSA-N 0 0 397.288 3.395 20 30 GGEDRN N#CCc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000451021519 566737844 /nfs/dbraw/zinc/73/78/44/566737844.db2.gz DJOGQTRBMXJOJT-QGZVFWFLSA-N 0 0 376.865 3.168 20 30 GGEDRN CC(=O)N[C@@H](CC(=O)N[C@@H](C#N)CC(C)C)c1ccc(Br)cc1 ZINC000608822564 566738169 /nfs/dbraw/zinc/73/81/69/566738169.db2.gz FZCSOLNSYRSWKP-CVEARBPZSA-N 0 0 380.286 3.071 20 30 GGEDRN N#CCc1cccc(C(=O)NCCc2ccc(I)s2)c1 ZINC000608870532 566738977 /nfs/dbraw/zinc/73/89/77/566738977.db2.gz FKPKKBQRYMDZGE-UHFFFAOYSA-N 0 0 396.253 3.391 20 30 GGEDRN C=CCN(C)C(=O)c1ccc(Br)cc1C1(C(=O)N(C)CC=C)CC1 ZINC000451034555 566739142 /nfs/dbraw/zinc/73/91/42/566739142.db2.gz XNKSLHLIPWMLJG-UHFFFAOYSA-N 0 0 391.309 3.383 20 30 GGEDRN Cc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1S(=O)(=O)NCC#N ZINC000608868069 566739471 /nfs/dbraw/zinc/73/94/71/566739471.db2.gz TWFUSIPPSGTIOL-UHFFFAOYSA-N 0 0 377.853 3.011 20 30 GGEDRN Cc1nsc(N2CCN(c3cccc(Br)c3C#N)CC2)c1C#N ZINC000515931546 566739449 /nfs/dbraw/zinc/73/94/49/566739449.db2.gz KFOZAYWCCVIFAT-UHFFFAOYSA-N 0 0 388.294 3.284 20 30 GGEDRN Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1S(=O)(=O)NCC#N ZINC000608867636 566739566 /nfs/dbraw/zinc/73/95/66/566739566.db2.gz KXBJXGWWWIPEPD-UHFFFAOYSA-N 0 0 377.853 3.011 20 30 GGEDRN Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1S(=O)(=O)NCC#N ZINC000608867638 566739602 /nfs/dbraw/zinc/73/96/02/566739602.db2.gz LBTYMLRHZOUJMW-UHFFFAOYSA-N 0 0 398.271 3.356 20 30 GGEDRN N#Cc1cc(F)c(C(=O)N2CCOc3ncc(Br)cc32)c(F)c1 ZINC000541642159 566740272 /nfs/dbraw/zinc/74/02/72/566740272.db2.gz HFOJYNAWHOXYPT-UHFFFAOYSA-N 0 0 380.148 3.033 20 30 GGEDRN CN(C)[C@@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)c1ccsc1 ZINC000451040585 566740398 /nfs/dbraw/zinc/74/03/98/566740398.db2.gz RWMRVSKLIZMXDK-HNNXBMFYSA-N 0 0 383.926 3.049 20 30 GGEDRN N#Cc1c(F)cccc1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000488686594 566740723 /nfs/dbraw/zinc/74/07/23/566740723.db2.gz JAEXQUOKGAHCDJ-UHFFFAOYSA-N 0 0 391.196 3.161 20 30 GGEDRN CN(CCC#N)S(=O)(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000608913699 566742088 /nfs/dbraw/zinc/74/20/88/566742088.db2.gz NISBSQSWGYHLSN-CQSZACIVSA-N 0 0 377.432 3.472 20 30 GGEDRN 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DVTPSALPJVEKEI-UHFFFAOYSA-N 0 0 377.293 3.123 20 30 GGEDRN C[C@H]1Cc2ccc(Br)cc2CN1S(=O)(=O)CC1(CC#N)CC1 ZINC000451360130 566804064 /nfs/dbraw/zinc/80/40/64/566804064.db2.gz DQWKQXTYIOIXPJ-LBPRGKRZSA-N 0 0 383.311 3.219 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)c(F)c1 ZINC000610084965 566804424 /nfs/dbraw/zinc/80/44/24/566804424.db2.gz SRRWRUOBUIZGIQ-ZFWWWQNUSA-N 0 0 395.253 3.294 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NC2(c3ccc(Br)cc3)CC2)c(F)c1 ZINC000610083468 566804558 /nfs/dbraw/zinc/80/45/58/566804558.db2.gz GPZRVYNFANGZKG-UHFFFAOYSA-N 0 0 395.253 3.427 20 30 GGEDRN N#Cc1cnc(C(=O)NCCOc2cccc(Br)c2)c(Cl)c1 ZINC000427909011 566805006 /nfs/dbraw/zinc/80/50/06/566805006.db2.gz QCTFZFCYKPCMMK-UHFFFAOYSA-N 0 0 380.629 3.178 20 30 GGEDRN C=CCN1CCC(NS(=O)(=O)c2ccc(-c3nc(C)cs3)cc2)CC1 ZINC000655502296 566805044 /nfs/dbraw/zinc/80/50/44/566805044.db2.gz HOOWYEYTFDUWOB-UHFFFAOYSA-N 0 0 377.535 3.047 20 30 GGEDRN C=CCSCCNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000489713140 566805134 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CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2ccc(Br)cc2C#N)[nH]1 ZINC000451368009 566805345 /nfs/dbraw/zinc/80/53/45/566805345.db2.gz NKTSLLWGUMQBNT-ZJUUUORDSA-N 0 0 376.258 3.443 20 30 GGEDRN N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CC(=O)Nc3ccc(Br)cc31)CC2 ZINC000469678044 566806207 /nfs/dbraw/zinc/80/62/07/566806207.db2.gz BGIKXSLEDKKKPI-OAHLLOKOSA-N 0 0 396.244 3.336 20 30 GGEDRN CN(C(=O)Cc1ccc(I)cc1)c1ccccc1C#N ZINC000489726990 566806787 /nfs/dbraw/zinc/80/67/87/566806787.db2.gz UQJNSZVGUOUOMT-UHFFFAOYSA-N 0 0 376.197 3.368 20 30 GGEDRN N#CCC1(CS(=O)(=O)N2CCCc3c(F)cc(Br)cc32)CC1 ZINC000451376647 566806966 /nfs/dbraw/zinc/80/69/66/566806966.db2.gz PGPLYONROVJBBW-UHFFFAOYSA-N 0 0 387.274 3.364 20 30 GGEDRN CCOc1cc(Br)c(F)cc1NC(=O)Cc1noc(C)c1C#N ZINC000427986504 566807634 /nfs/dbraw/zinc/80/76/34/566807634.db2.gz XOYOCKCUILCJDO-UHFFFAOYSA-N 0 0 382.189 3.336 20 30 GGEDRN CCCOc1c(Br)cc(C(=O)N[C@](C)(C#N)CCOC)cc1OC ZINC000581848796 566808415 /nfs/dbraw/zinc/80/84/15/566808415.db2.gz NCJLPMAQBXOGJG-KRWDZBQOSA-N 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JKFWECHOUHUIPR-UHFFFAOYSA-N 0 0 375.494 3.195 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nc(C)cs2)cc1 ZINC000655580718 566815960 /nfs/dbraw/zinc/81/59/60/566815960.db2.gz CYGVZSKVJAHGRJ-WBVHZDCISA-N 0 0 378.519 3.378 20 30 GGEDRN CCOC(=O)C[C@](C)(NS(=O)(=O)c1ccc(CC#N)cc1Cl)C(C)C ZINC000451419425 566816167 /nfs/dbraw/zinc/81/61/67/566816167.db2.gz NMYPTEBANKGTEQ-KRWDZBQOSA-N 0 0 386.901 3.052 20 30 GGEDRN C=CCC(C)(C)CNC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000489887733 566816221 /nfs/dbraw/zinc/81/62/21/566816221.db2.gz SDEXYNKOXKTIKC-LLVKDONJSA-N 0 0 393.281 3.152 20 30 GGEDRN C=CCC(C)(C)CNC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000489887736 566816512 /nfs/dbraw/zinc/81/65/12/566816512.db2.gz SDEXYNKOXKTIKC-NSHDSACASA-N 0 0 393.281 3.152 20 30 GGEDRN Cn1cc([C@H]2CCCCN2S(=O)(=O)c2ccc(CC#N)cc2Cl)cn1 ZINC000451433406 566817207 /nfs/dbraw/zinc/81/72/07/566817207.db2.gz RHKYFXDYTYNHQP-MRXNPFEDSA-N 0 0 378.885 3.055 20 30 GGEDRN N#Cc1ccncc1N1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000517271530 566817788 /nfs/dbraw/zinc/81/77/88/566817788.db2.gz ZMHQNFVXGQPUOZ-UHFFFAOYSA-N 0 0 378.661 3.091 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@@H](CO)c2cccc(Cl)c2F)c(Cl)c1 ZINC000542690947 566818166 /nfs/dbraw/zinc/81/81/66/566818166.db2.gz JFVXGFXKVNMQMO-ZDUSSCGKSA-N 0 0 389.235 3.016 20 30 GGEDRN CCc1ccc([C@H](C#N)NC(=O)c2cc(I)c[nH]2)cc1 ZINC000489966735 566818789 /nfs/dbraw/zinc/81/87/89/566818789.db2.gz XHCHHANCGNEIKJ-AWEZNQCLSA-N 0 0 379.201 3.176 20 30 GGEDRN N#Cc1ccc(OCC(=O)NC[C@H](CO)CC2CCCC2)cc1Br ZINC000451439204 566818687 /nfs/dbraw/zinc/81/86/87/566818687.db2.gz VPFIQIIOEWTSQM-CQSZACIVSA-N 0 0 395.297 3.005 20 30 GGEDRN CN(CCOc1ccc(C(F)(F)F)cc1)S(=O)(=O)CC(C)(C)CC#N ZINC000451448569 566819135 /nfs/dbraw/zinc/81/91/35/566819135.db2.gz VYNFQZPIWFSCOW-UHFFFAOYSA-N 0 0 378.416 3.286 20 30 GGEDRN CCO[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)c1ccccc1 ZINC000451458688 566821282 /nfs/dbraw/zinc/82/12/82/566821282.db2.gz OSSUMYIZUGFUJU-QGZVFWFLSA-N 0 0 378.881 3.462 20 30 GGEDRN COCCN(C[C@H]1CC=CCC1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451456609 566821393 /nfs/dbraw/zinc/82/13/93/566821393.db2.gz MNNJBTWXEKZNKP-INIZCTEOSA-N 0 0 382.913 3.399 20 30 GGEDRN N#Cc1c(Cl)cccc1N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000610285488 566821551 /nfs/dbraw/zinc/82/15/51/566821551.db2.gz GSXRVIGKTCBKMO-UHFFFAOYSA-N 0 0 396.299 3.376 20 30 GGEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](C)c2ccc(Br)s2)CC1 ZINC000610291918 566821634 /nfs/dbraw/zinc/82/16/34/566821634.db2.gz XKDWVEYFAHHRTR-CHWSQXEVSA-N 0 0 384.343 3.306 20 30 GGEDRN C[C@H]1CC[C@@H](N(C)S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000451457482 566822006 /nfs/dbraw/zinc/82/20/06/566822006.db2.gz DINZKZNLEXMHQW-GXSJLCMTSA-N 0 0 375.263 3.269 20 30 GGEDRN C=C(C)COCCNC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000542741723 566822246 /nfs/dbraw/zinc/82/22/46/566822246.db2.gz ZVUBPUQLPUQNER-UHFFFAOYSA-N 0 0 376.284 3.438 20 30 GGEDRN CN(CCc1cccc(Br)c1)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489991269 566822386 /nfs/dbraw/zinc/82/23/86/566822386.db2.gz FYGPMCUVXJDFQQ-UHFFFAOYSA-N 0 0 397.269 3.323 20 30 GGEDRN C[C@@H]1CC[C@H](N(C)S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000451457483 566822453 /nfs/dbraw/zinc/82/24/53/566822453.db2.gz DINZKZNLEXMHQW-KOLCDFICSA-N 0 0 375.263 3.269 20 30 GGEDRN N#Cc1c(Cl)cccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000610289833 566822650 /nfs/dbraw/zinc/82/26/50/566822650.db2.gz AZNNTXCRLLEQLZ-UHFFFAOYSA-N 0 0 396.299 3.376 20 30 GGEDRN C=CCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1nc(C)no1 ZINC000655615600 566823005 /nfs/dbraw/zinc/82/30/05/566823005.db2.gz DSLYWMGMTSWIPX-UHFFFAOYSA-N 0 0 395.286 3.283 20 30 GGEDRN N#CC1(N(C(=O)c2cc(Br)c3c(c2)OCCO3)C2CC2)CCC1 ZINC000582018197 566823008 /nfs/dbraw/zinc/82/30/08/566823008.db2.gz YOEPJKLWZAONDV-UHFFFAOYSA-N 0 0 377.238 3.271 20 30 GGEDRN COc1ccc(Br)c(CN(C)C(=O)COc2ccccc2C#N)c1 ZINC000469873157 566824045 /nfs/dbraw/zinc/82/40/45/566824045.db2.gz YFJLPKZSWCNPLD-UHFFFAOYSA-N 0 0 389.249 3.367 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(F)cc1Br)c1cccc(C#N)c1 ZINC000610338628 566824743 /nfs/dbraw/zinc/82/47/43/566824743.db2.gz KHTUBTSKTGTXLY-SNVBAGLBSA-N 0 0 383.242 3.499 20 30 GGEDRN C=CCCN(C)C(=O)[C@@H](CCC)NC(=O)NCc1ccc(Br)cc1 ZINC000469882315 566824923 /nfs/dbraw/zinc/82/49/23/566824923.db2.gz DAUJIXOLEJXFIS-MRXNPFEDSA-N 0 0 396.329 3.452 20 30 GGEDRN Cc1cc(Br)ccc1S(=O)(=O)NCCc1cccc(C#N)c1 ZINC000582033936 566825094 /nfs/dbraw/zinc/82/50/94/566825094.db2.gz BLEYFAFEJVNDSW-UHFFFAOYSA-N 0 0 379.279 3.150 20 30 GGEDRN C[C@H](NS(=O)(=O)c1ccc(F)c(Br)c1)c1cccc(C#N)c1 ZINC000610338571 566825087 /nfs/dbraw/zinc/82/50/87/566825087.db2.gz HYZOQXQKIRRIND-JTQLQIEISA-N 0 0 383.242 3.499 20 30 GGEDRN Cc1cc([C@H](C#N)C(=O)c2csc(I)c2)nc(C)n1 ZINC000517426695 566825746 /nfs/dbraw/zinc/82/57/46/566825746.db2.gz HBJLFWFVXWGGJI-JTQLQIEISA-N 0 0 383.214 3.250 20 30 GGEDRN N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)nc1 ZINC000490038839 566826336 /nfs/dbraw/zinc/82/63/36/566826336.db2.gz AXEFCZGGOMZKKX-CYBMUJFWSA-N 0 0 398.271 3.102 20 30 GGEDRN C[C@@H](NS(=O)(=O)N(C)Cc1c(F)cccc1Cl)c1cccc(C#N)c1 ZINC000610339068 566826543 /nfs/dbraw/zinc/82/65/43/566826543.db2.gz KCGKZUQMAOGLSF-GFCCVEGCSA-N 0 0 381.860 3.378 20 30 GGEDRN C[C@H](NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000610367129 566826548 /nfs/dbraw/zinc/82/65/48/566826548.db2.gz HEZIPLOUZONXIB-ZDUSSCGKSA-N 0 0 376.865 3.253 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1cc(Br)ccc1F)c1cccc(C#N)c1 ZINC000610339405 566826603 /nfs/dbraw/zinc/82/66/03/566826603.db2.gz SUMMEEYGCAGKKC-SNVBAGLBSA-N 0 0 383.242 3.499 20 30 GGEDRN N#CCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2OC(F)F)c(Cl)c1 ZINC000451492680 566826888 /nfs/dbraw/zinc/82/68/88/566826888.db2.gz DNVFTXQACREUEX-CHWSQXEVSA-N 0 0 378.828 3.235 20 30 GGEDRN C[C@H](CCc1ccc(Br)cc1)NS(=O)(=O)c1cccnc1C#N ZINC000428247054 566827092 /nfs/dbraw/zinc/82/70/92/566827092.db2.gz IUTXHNDVHLHCPS-GFCCVEGCSA-N 0 0 394.294 3.015 20 30 GGEDRN C[C@@H](N[C@H](C(N)=O)c1ccc(Br)cc1F)c1cccc(C#N)c1 ZINC000610343365 566827178 /nfs/dbraw/zinc/82/71/78/566827178.db2.gz DOVWRJKSAMSTOB-HWPZZCPQSA-N 0 0 376.229 3.337 20 30 GGEDRN C=C[C@H](C)NC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC000678951114 566827828 /nfs/dbraw/zinc/82/78/28/566827828.db2.gz KHWUGHYYZLVKBG-QMMMGPOBSA-N 0 0 389.175 3.353 20 30 GGEDRN CN(CCC#N)S(=O)(=O)N1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000490049314 566827895 /nfs/dbraw/zinc/82/78/95/566827895.db2.gz XUFWIPRGOJFSQH-UHFFFAOYSA-N 0 0 376.309 3.263 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(F)c(Br)c1)c1cccc(C#N)c1 ZINC000610385976 566827996 /nfs/dbraw/zinc/82/79/96/566827996.db2.gz PGTZNCDELCSFKG-JTQLQIEISA-N 0 0 390.212 3.276 20 30 GGEDRN Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610386797 566828002 /nfs/dbraw/zinc/82/80/02/566828002.db2.gz MKBKRGZINVFTDG-LBPRGKRZSA-N 0 0 386.249 3.445 20 30 GGEDRN Cc1csc(S(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000451502764 566828401 /nfs/dbraw/zinc/82/84/01/566828401.db2.gz PPFMYFDDFMRASG-MRXNPFEDSA-N 0 0 395.937 3.281 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1cc(Br)ccc1F)c1cccc(C#N)c1 ZINC000610386907 566828462 /nfs/dbraw/zinc/82/84/62/566828462.db2.gz PDWQHLFYDXKXGM-JTQLQIEISA-N 0 0 390.212 3.276 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000610382924 566828503 /nfs/dbraw/zinc/82/85/03/566828503.db2.gz DOLGOOLYOXCERC-MELADBBJSA-N 0 0 377.535 3.372 20 30 GGEDRN Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610385233 566828518 /nfs/dbraw/zinc/82/85/18/566828518.db2.gz PDYSGSILVIMAFH-GFCCVEGCSA-N 0 0 386.249 3.445 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1cc(Br)ccc1F)c1cccc(C#N)c1 ZINC000610386908 566828587 /nfs/dbraw/zinc/82/85/87/566828587.db2.gz PDWQHLFYDXKXGM-SNVBAGLBSA-N 0 0 390.212 3.276 20 30 GGEDRN CN1CCN(C(=O)COc2ccccc2C#N)c2ccc(Br)cc21 ZINC000562863265 566828623 /nfs/dbraw/zinc/82/86/23/566828623.db2.gz CVILZNAHHIJLAX-UHFFFAOYSA-N 0 0 386.249 3.183 20 30 GGEDRN CC(C)N(Cc1ccc(Br)cc1)S(=O)(=O)c1cccnc1C#N ZINC000428261955 566829027 /nfs/dbraw/zinc/82/90/27/566829027.db2.gz RMHKYECNHFAUOL-UHFFFAOYSA-N 0 0 394.294 3.315 20 30 GGEDRN N#Cc1ccc(NC(=O)c2csc(-c3cnccn3)n2)cc1Br ZINC000582086578 566829723 /nfs/dbraw/zinc/82/97/23/566829723.db2.gz BFJYYGZJBMPASW-UHFFFAOYSA-N 0 0 386.234 3.487 20 30 GGEDRN C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C(F)(F)F)O1 ZINC000610413552 566829820 /nfs/dbraw/zinc/82/98/20/566829820.db2.gz XOMQNUHWWNVELD-YGRLFVJLSA-N 0 0 375.778 3.192 20 30 GGEDRN Cc1ccc(OCC(=O)NC2(C#N)CCCCC2)c(I)c1 ZINC000610411610 566829948 /nfs/dbraw/zinc/82/99/48/566829948.db2.gz PBJHOSXFDVXYFN-UHFFFAOYSA-N 0 0 398.244 3.321 20 30 GGEDRN Cc1ccc(OCC(=O)N[C@@](C)(C#N)C(C)C)c(I)c1 ZINC000610411682 566829996 /nfs/dbraw/zinc/82/99/96/566829996.db2.gz WGXIRNKTXLBYBN-HNNXBMFYSA-N 0 0 386.233 3.033 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(S(N)(=O)=O)s1 ZINC000517520539 566830124 /nfs/dbraw/zinc/83/01/24/566830124.db2.gz LNRMUXGJACUQPZ-JTQLQIEISA-N 0 0 381.504 3.042 20 30 GGEDRN CCc1nnc(Oc2ccc(C#N)cc2I)nc1CC ZINC000542854077 566830764 /nfs/dbraw/zinc/83/07/64/566830764.db2.gz OHTDZQWEWJFBEA-UHFFFAOYSA-N 0 0 380.189 3.265 20 30 GGEDRN C=CCN(CCC#N)S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000490104053 566831040 /nfs/dbraw/zinc/83/10/40/566831040.db2.gz VFYRXSLJKHTMPR-UHFFFAOYSA-N 0 0 377.691 3.334 20 30 GGEDRN CN(Cc1ccc(OCC(F)(F)F)cc1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451526112 566831398 /nfs/dbraw/zinc/83/13/98/566831398.db2.gz BOKXMKXKPWBMTF-UHFFFAOYSA-N 0 0 376.400 3.083 20 30 GGEDRN CCOC(=O)COc1c(Br)cc(C)cc1CN(C)C[C@@H](C)C#N ZINC000542855864 566832688 /nfs/dbraw/zinc/83/26/88/566832688.db2.gz COVAMEORUIKGJQ-ZDUSSCGKSA-N 0 0 383.286 3.291 20 30 GGEDRN CN(C)C[C@@](C)(C#N)NC(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000582125368 566832879 /nfs/dbraw/zinc/83/28/79/566832879.db2.gz PTUWVTLGUZNGDE-GOSISDBHSA-N 0 0 376.913 3.330 20 30 GGEDRN N#Cc1cn(Cc2nccn2C(F)F)c2ccc(Br)cc2c1=O ZINC000428334349 566832917 /nfs/dbraw/zinc/83/29/17/566832917.db2.gz WISQKTPDBIKJQH-UHFFFAOYSA-N 0 0 379.164 3.276 20 30 GGEDRN C[C@@H]1C[C@]1(C#N)C(=O)N(C)c1nccc(-c2sccc2Br)n1 ZINC000582130543 566833075 /nfs/dbraw/zinc/83/30/75/566833075.db2.gz HHQHBNQTTXDWOW-RFAUZJTJSA-N 0 0 377.267 3.480 20 30 GGEDRN COc1ccc(Br)c(S(=O)(=O)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000610471812 566833112 /nfs/dbraw/zinc/83/31/12/566833112.db2.gz SMOPYCJVDLYKOG-LLVKDONJSA-N 0 0 395.278 3.369 20 30 GGEDRN C=CCOC[C@H]1NC(=O)N([C@@H]2c3cccc(Br)c3CC2(C)C)C1=O ZINC000562925152 566833202 /nfs/dbraw/zinc/83/32/02/566833202.db2.gz PAXXIPFTBXEVKC-HUUCEWRRSA-N 0 0 393.281 3.196 20 30 GGEDRN CC(C)c1nnc(CCC(=O)N[C@H](C#N)c2ccccc2Br)o1 ZINC000610466542 566833309 /nfs/dbraw/zinc/83/33/09/566833309.db2.gz UBADRCXFHYCELV-CYBMUJFWSA-N 0 0 377.242 3.269 20 30 GGEDRN C=CCOC[C@@H]1NC(=O)N([C@H]2c3cccc(Br)c3CC2(C)C)C1=O ZINC000562925151 566833388 /nfs/dbraw/zinc/83/33/88/566833388.db2.gz PAXXIPFTBXEVKC-GJZGRUSLSA-N 0 0 393.281 3.196 20 30 GGEDRN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@H](C)C#N)CC1 ZINC000542878692 566833573 /nfs/dbraw/zinc/83/35/73/566833573.db2.gz VMCKYZFAASPPCS-PBHICJAKSA-N 0 0 393.329 3.387 20 30 GGEDRN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@@H](C)C#N)CC1 ZINC000542878701 566833787 /nfs/dbraw/zinc/83/37/87/566833787.db2.gz VMCKYZFAASPPCS-YOEHRIQHSA-N 0 0 393.329 3.387 20 30 GGEDRN N#Cc1cccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)c1Br ZINC000451531320 566833987 /nfs/dbraw/zinc/83/39/87/566833987.db2.gz TYBTZJNZEXDBIY-QAPCUYQASA-N 0 0 388.265 3.388 20 30 GGEDRN N#CC1(CNS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)CC1 ZINC000582158461 566835283 /nfs/dbraw/zinc/83/52/83/566835283.db2.gz ZVAPLJDYRFTHFZ-UHFFFAOYSA-N 0 0 384.082 3.338 20 30 GGEDRN COc1ccc(C(=O)N2CCC(CC#N)CC2)c(I)c1 ZINC000542909375 566836332 /nfs/dbraw/zinc/83/63/32/566836332.db2.gz UTIXXMZHJCLZJD-UHFFFAOYSA-N 0 0 384.217 3.066 20 30 GGEDRN CSCC[C@@](C)(C#N)NC(=O)CCC(=O)N1CCSc2ccccc21 ZINC000517619760 566836334 /nfs/dbraw/zinc/83/63/34/566836334.db2.gz GLQFARAXMDTCOF-SFHVURJKSA-N 0 0 377.535 3.057 20 30 GGEDRN COC(=O)c1cc(NC(=O)c2cccc(C#N)c2)cc(Br)c1F ZINC000470011438 566836386 /nfs/dbraw/zinc/83/63/86/566836386.db2.gz KVVBKDMTTVJJEF-UHFFFAOYSA-N 0 0 377.169 3.499 20 30 GGEDRN COCCN(CCC#N)C(=O)Cc1c(C)[nH]c2ccc(Br)cc21 ZINC000610491931 566836724 /nfs/dbraw/zinc/83/67/24/566836724.db2.gz RNUWRKAYPDHLKB-UHFFFAOYSA-N 0 0 378.270 3.170 20 30 GGEDRN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(C#N)c2)cc1Cl ZINC000610488442 566837074 /nfs/dbraw/zinc/83/70/74/566837074.db2.gz HQKNPPHVNFBDLE-NSHDSACASA-N 0 0 377.853 3.210 20 30 GGEDRN N#Cc1ccc(C2(C(=O)N(CCO)Cc3cccc(Br)c3)CC2)cc1 ZINC000490211351 566837504 /nfs/dbraw/zinc/83/75/04/566837504.db2.gz WJZYOWCKRLRRBC-UHFFFAOYSA-N 0 0 399.288 3.373 20 30 GGEDRN N#CCC1CCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)CC1 ZINC000542911551 566837676 /nfs/dbraw/zinc/83/76/76/566837676.db2.gz IAZZIBDBAWZZRV-UHFFFAOYSA-N 0 0 375.885 3.165 20 30 GGEDRN CN(C)c1ccccc1CN(C)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451556639 566838058 /nfs/dbraw/zinc/83/80/58/566838058.db2.gz MYRWCZKIKLUFRM-UHFFFAOYSA-N 0 0 377.897 3.293 20 30 GGEDRN Cc1cccnc1C(C)(C)CNS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451560502 566838317 /nfs/dbraw/zinc/83/83/17/566838317.db2.gz APIGRUCWNDJNGN-UHFFFAOYSA-N 0 0 377.897 3.366 20 30 GGEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000610496765 566838433 /nfs/dbraw/zinc/83/84/33/566838433.db2.gz QMLMIKCNTCBFKF-UVBJJODRSA-N 0 0 380.275 3.406 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470013062 566838432 /nfs/dbraw/zinc/83/84/32/566838432.db2.gz UPTCRBJWZRHXRC-DZGCQCFKSA-N 0 0 384.307 3.455 20 30 GGEDRN N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000610496767 566838860 /nfs/dbraw/zinc/83/88/60/566838860.db2.gz QMLMIKCNTCBFKF-XZJROXQQSA-N 0 0 380.275 3.406 20 30 GGEDRN C[C@@]1(CNS(=O)(=O)c2ccc(CC#N)cc2Cl)OCCc2sccc21 ZINC000451564942 566839270 /nfs/dbraw/zinc/83/92/70/566839270.db2.gz HHLIRMVXTMUGLZ-KRWDZBQOSA-N 0 0 396.921 3.234 20 30 GGEDRN COC(=O)c1cc(NC(=O)Cc2ccc(C#N)cc2)cc(Br)c1F ZINC000470011610 566839313 /nfs/dbraw/zinc/83/93/13/566839313.db2.gz LSBVHXHMBFJBDT-UHFFFAOYSA-N 0 0 391.196 3.428 20 30 GGEDRN N#Cc1ccc(-n2ccc(NC(=O)c3ccc(Br)s3)n2)c(F)c1 ZINC000542929566 566839567 /nfs/dbraw/zinc/83/95/67/566839567.db2.gz CGNJFPIUCKKRBI-UHFFFAOYSA-N 0 0 391.225 3.381 20 30 GGEDRN N#Cc1ccc([C@@H](C(N)=O)N2CC[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000451565794 566839623 /nfs/dbraw/zinc/83/96/23/566839623.db2.gz IGUYVMGNLAGOMK-AEFFLSMTSA-N 0 0 384.277 3.337 20 30 GGEDRN CSCC[C@H](C)N(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000542961179 566840619 /nfs/dbraw/zinc/84/06/19/566840619.db2.gz ILJCXYDNXRTOBZ-LBPRGKRZSA-N 0 0 377.901 3.425 20 30 GGEDRN C[C@H](NS(=O)(=O)c1ccc(CC#N)cc1Cl)[C@@H]1OCCc2sccc21 ZINC000451572427 566841389 /nfs/dbraw/zinc/84/13/89/566841389.db2.gz FYFKFYSFYHVBER-GTNSWQLSSA-N 0 0 396.921 3.448 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451569072 566841542 /nfs/dbraw/zinc/84/15/42/566841542.db2.gz NOJWENYPEUBPMI-CRAIPNDOSA-N 0 0 378.314 3.293 20 30 GGEDRN N#Cc1cccc(CNC(=O)CN2CC[C@@H](c3cccc(Br)c3)C2)c1 ZINC000451572683 566841757 /nfs/dbraw/zinc/84/17/57/566841757.db2.gz SMFHMYVTVOFFSJ-GOSISDBHSA-N 0 0 398.304 3.426 20 30 GGEDRN Cc1ccc(Br)c2c1N(S(=O)(=O)c1cccnc1C#N)CCC2 ZINC000428412906 566841900 /nfs/dbraw/zinc/84/19/00/566841900.db2.gz NMOSPMLVXFBKAK-UHFFFAOYSA-N 0 0 392.278 3.166 20 30 GGEDRN C[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)Cc2ccccc2O1 ZINC000451574476 566844040 /nfs/dbraw/zinc/84/40/40/566844040.db2.gz MKGQPFUKJKRCMR-ZDUSSCGKSA-N 0 0 376.865 3.378 20 30 GGEDRN N#Cc1c2c(cnc1NC[C@H](O)COc1ccccc1Br)CCC2 ZINC000582237377 566844600 /nfs/dbraw/zinc/84/46/00/566844600.db2.gz AIQGPNAMFBCCKU-ZDUSSCGKSA-N 0 0 388.265 3.056 20 30 GGEDRN O=S(=O)(C[C@@H]1CCC(F)(F)C1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000632053290 566844802 /nfs/dbraw/zinc/84/48/02/566844802.db2.gz PZZKXIHGKVYJIU-IWSPIJDZSA-N 0 0 389.308 3.424 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610589586 566844816 /nfs/dbraw/zinc/84/48/16/566844816.db2.gz FGXCMTWHOHWGPZ-GHMZBOCLSA-N 0 0 386.317 3.228 20 30 GGEDRN N#CCN1CCC(NC(=O)Nc2cc(Br)c(F)cc2Cl)CC1 ZINC000610585653 566845257 /nfs/dbraw/zinc/84/52/57/566845257.db2.gz YZUPIEPMQHBVFJ-UHFFFAOYSA-N 0 0 389.656 3.351 20 30 GGEDRN N#Cc1cc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)ccc1F ZINC000610589459 566845629 /nfs/dbraw/zinc/84/56/29/566845629.db2.gz XPWXDFWYPRCMCR-NXEZZACHSA-N 0 0 390.280 3.059 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610589630 566845939 /nfs/dbraw/zinc/84/59/39/566845939.db2.gz LUZGINOXULIROC-GHMZBOCLSA-N 0 0 386.317 3.228 20 30 GGEDRN C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCn2cnnc2C1 ZINC000582269636 566846356 /nfs/dbraw/zinc/84/63/56/566846356.db2.gz OZJJGWCHUPIGIA-UHFFFAOYSA-N 0 0 376.251 3.050 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)NCCOc2cccc(Cl)c2Cl)cc1 ZINC000517769539 566847616 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CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCc2c(F)cc(Br)cc2C1 ZINC000610729163 566857426 /nfs/dbraw/zinc/85/74/26/566857426.db2.gz UWODEGPWBWWOFD-XIKOKIGWSA-N 0 0 396.304 3.389 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000490510963 566859729 /nfs/dbraw/zinc/85/97/29/566859729.db2.gz ZGILCCYEUCAVHS-CZUORRHYSA-N 0 0 387.958 3.233 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000490510962 566859738 /nfs/dbraw/zinc/85/97/38/566859738.db2.gz ZGILCCYEUCAVHS-CJNGLKHVSA-N 0 0 387.958 3.233 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)NCc2nc3cc(Cl)ccc3s2)cc1 ZINC000518003307 566859859 /nfs/dbraw/zinc/85/98/59/566859859.db2.gz QAIQPODOLWZSAS-UHFFFAOYSA-N 0 0 377.878 3.441 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000490510964 566859922 /nfs/dbraw/zinc/85/99/22/566859922.db2.gz ZGILCCYEUCAVHS-XJKSGUPXSA-N 0 0 387.958 3.233 20 30 GGEDRN CS[C@@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)C(C)(C)C ZINC000543172711 566860088 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C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1OCCc2sccc21 ZINC000490540909 566863147 /nfs/dbraw/zinc/86/31/47/566863147.db2.gz CDABBYVERCFAFA-HWPZZCPQSA-N 0 0 382.894 3.254 20 30 GGEDRN N#Cc1ccncc1C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000582445347 566863707 /nfs/dbraw/zinc/86/37/07/566863707.db2.gz NPLUKWJSIHRWRT-UHFFFAOYSA-N 0 0 382.221 3.213 20 30 GGEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CCCc2ccccc2Br)CC1 ZINC000610804920 566865069 /nfs/dbraw/zinc/86/50/69/566865069.db2.gz BOLCHXXCAJYWQW-SFHVURJKSA-N 0 0 392.341 3.464 20 30 GGEDRN N#Cc1cc2c(nc1NC[C@@H](CO)Cc1cccc(Br)c1)CCC2 ZINC000428653024 566865310 /nfs/dbraw/zinc/86/53/10/566865310.db2.gz QNPIYCWLBYWOQV-AWEZNQCLSA-N 0 0 386.293 3.468 20 30 GGEDRN N#Cc1cc2c(nc1NC[C@H](CO)Cc1cccc(Br)c1)CCC2 ZINC000428653027 566865502 /nfs/dbraw/zinc/86/55/02/566865502.db2.gz QNPIYCWLBYWOQV-CQSZACIVSA-N 0 0 386.293 3.468 20 30 GGEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1c(Br)cnn1C ZINC000451701134 566865855 /nfs/dbraw/zinc/86/58/55/566865855.db2.gz ZNNNMGHNHCDJDG-UHFFFAOYSA-N 0 0 380.290 3.179 20 30 GGEDRN N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000428665289 566866671 /nfs/dbraw/zinc/86/66/71/566866671.db2.gz DQOZWLYISRJFFX-ZDUSSCGKSA-N 0 0 390.237 3.492 20 30 GGEDRN N#Cc1nc(NC[C@H](CO)Cc2ccccc2Br)ccc1Cl ZINC000428665219 566867076 /nfs/dbraw/zinc/86/70/76/566867076.db2.gz DLXUMKSGVANULC-LLVKDONJSA-N 0 0 380.673 3.054 20 30 GGEDRN Cc1sc2nc(CS[C@@H](C)C(=O)N[C@H](C#N)C(C)C)[nH]c(=O)c2c1C ZINC000470357446 566867764 /nfs/dbraw/zinc/86/77/64/566867764.db2.gz ZJVNMDLRXNYJMH-NWDGAFQWSA-N 0 0 378.523 3.300 20 30 GGEDRN CCCc1nc(C)c(CNS(=O)(=O)c2cccc(Br)c2C#N)o1 ZINC000490584277 566867882 /nfs/dbraw/zinc/86/78/82/566867882.db2.gz WOSNFWIBLUFRQM-UHFFFAOYSA-N 0 0 398.282 3.048 20 30 GGEDRN C=CCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)NCC1CCC1 ZINC000518172112 566868027 /nfs/dbraw/zinc/86/80/27/566868027.db2.gz JLHQCFXPHHDWMC-UHFFFAOYSA-N 0 0 377.897 3.244 20 30 GGEDRN N#Cc1ccc(-n2ccc(NC(=O)NC[C@H]3CCCCS3)n2)c(Cl)c1 ZINC000543314091 566870339 /nfs/dbraw/zinc/87/03/39/566870339.db2.gz ZARVCZPAOXZOLX-CYBMUJFWSA-N 0 0 375.885 3.226 20 30 GGEDRN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(C#N)cc2Cl)s1 ZINC000610855843 566870840 /nfs/dbraw/zinc/87/08/40/566870840.db2.gz ZVGGWQVCMHVTAZ-SECBINFHSA-N 0 0 383.882 3.271 20 30 GGEDRN C[C@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000518225771 566871640 /nfs/dbraw/zinc/87/16/40/566871640.db2.gz YQGBOCJZFVMCOO-RYUDHWBXSA-N 0 0 378.270 3.202 20 30 GGEDRN N#CCc1cccc(Br)c1OCC(=O)NCc1ccccc1F ZINC000518225302 566871694 /nfs/dbraw/zinc/87/16/94/566871694.db2.gz KBHYBULSNWPSCP-UHFFFAOYSA-N 0 0 377.213 3.349 20 30 GGEDRN Cc1c(C#N)cccc1NS(=O)(=O)c1ccc(I)cc1 ZINC000610897247 566872294 /nfs/dbraw/zinc/87/22/94/566872294.db2.gz ZRCBQTULSZVABB-UHFFFAOYSA-N 0 0 398.225 3.272 20 30 GGEDRN C=CC[C@@H](CO)CNC(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000490634858 566872802 /nfs/dbraw/zinc/87/28/02/566872802.db2.gz FOUSPALHBAQCSH-SNVBAGLBSA-N 0 0 383.217 3.158 20 30 GGEDRN C=CC[C@H](CO)CNC(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000490634811 566872929 /nfs/dbraw/zinc/87/29/29/566872929.db2.gz FOUSPALHBAQCSH-JTQLQIEISA-N 0 0 383.217 3.158 20 30 GGEDRN Cc1ccc(F)cc1C(=O)C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000679800056 566873359 /nfs/dbraw/zinc/87/33/59/566873359.db2.gz NHFWHIBFWCENSJ-HNNXBMFYSA-N 0 0 375.197 3.460 20 30 GGEDRN CC(C)C[C@@H](C#N)NC(=O)c1cc(I)c(F)cc1F ZINC000610933223 566875702 /nfs/dbraw/zinc/87/57/02/566875702.db2.gz ODBMPUKCELUJMX-QMMMGPOBSA-N 0 0 378.160 3.237 20 30 GGEDRN N#Cc1ccc(OCC(=O)N2CCc3sc(Br)cc3C2)cc1 ZINC000610934079 566875893 /nfs/dbraw/zinc/87/58/93/566875893.db2.gz FCXUGLJBCIPHIL-UHFFFAOYSA-N 0 0 377.263 3.346 20 30 GGEDRN N#CCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000543387531 566875927 /nfs/dbraw/zinc/87/59/27/566875927.db2.gz JKZFJCSWXQTGPP-UHFFFAOYSA-N 0 0 377.853 3.174 20 30 GGEDRN CN1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H]1Cc1ccccc1 ZINC000451759634 566875960 /nfs/dbraw/zinc/87/59/60/566875960.db2.gz SLJWRDYQGDPACU-SFHVURJKSA-N 0 0 398.304 3.320 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1ccc(OC(F)F)c(F)c1 ZINC000563325786 566876454 /nfs/dbraw/zinc/87/64/54/566876454.db2.gz KYJIVVNNHQEZSJ-UHFFFAOYSA-N 0 0 390.770 3.431 20 30 GGEDRN COc1cc(CNc2nccc(C#N)c2Cl)cc(Br)c1OC ZINC000563332238 566876810 /nfs/dbraw/zinc/87/68/10/566876810.db2.gz VOAJIOBRQJBDEB-UHFFFAOYSA-N 0 0 382.645 3.420 20 30 GGEDRN CS(=O)(=O)Nc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 ZINC000518320407 566877017 /nfs/dbraw/zinc/87/70/17/566877017.db2.gz KDIVNCSQKZZJMT-OAHLLOKOSA-N 0 0 398.271 3.360 20 30 GGEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000610960261 566876961 /nfs/dbraw/zinc/87/69/61/566876961.db2.gz PXTWNQZJQOERHF-OAHLLOKOSA-N 0 0 384.705 3.408 20 30 GGEDRN COc1ccc(Br)c(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428779401 566877158 /nfs/dbraw/zinc/87/71/58/566877158.db2.gz FJAYNSILSDZMDY-MRXNPFEDSA-N 0 0 388.265 3.378 20 30 GGEDRN Cn1cc(C(=O)N[C@H](C#N)c2cccc(Br)c2)c2ccccc2c1=O ZINC000428794153 566878757 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C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[S@@](=O)[C@H](C)C1 ZINC000518400355 566881511 /nfs/dbraw/zinc/88/15/11/566881511.db2.gz KTZZXYCEUUSLPL-YDGUKXNOSA-N 0 0 385.320 3.395 20 30 GGEDRN C=CCCCCCNC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000563425352 566883400 /nfs/dbraw/zinc/88/34/00/566883400.db2.gz AWGDYNHYKDJDMD-OAHLLOKOSA-N 0 0 395.297 3.252 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)NCCc1c[nH]c2cc(Cl)ccc12 ZINC000611025071 566883519 /nfs/dbraw/zinc/88/35/19/566883519.db2.gz AWVKIBSWLZKOJB-UHFFFAOYSA-N 0 0 377.828 3.353 20 30 GGEDRN COc1ccc2c(c1)OCC[C@@H]2NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000611025028 566883611 /nfs/dbraw/zinc/88/36/11/566883611.db2.gz ZODZBIOGWQKLLM-HNNXBMFYSA-N 0 0 378.837 3.022 20 30 GGEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cccc(Cl)c1Cl ZINC000611017959 566884035 /nfs/dbraw/zinc/88/40/35/566884035.db2.gz VGDPVWJENRKGBJ-UHFFFAOYSA-N 0 0 386.216 3.252 20 30 GGEDRN CO[C@@](C)(CNS(=O)(=O)c1ccc(CC#N)cc1Cl)c1ccccc1 ZINC000451804053 566884207 /nfs/dbraw/zinc/88/42/07/566884207.db2.gz 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C=CCCOCCNC(=O)Nc1cc(C(=O)OC)c(Br)cc1C ZINC000494383764 566994957 /nfs/dbraw/zinc/99/49/57/566994957.db2.gz IWTQSFZCVWDHPO-UHFFFAOYSA-N 0 0 385.258 3.258 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000520306066 566995640 /nfs/dbraw/zinc/99/56/40/566995640.db2.gz NGUMXGDNMBSCPF-MCMMXHMISA-N 0 0 385.327 3.345 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000520306065 566995723 /nfs/dbraw/zinc/99/57/23/566995723.db2.gz NGUMXGDNMBSCPF-DMZKTXOQSA-N 0 0 385.327 3.345 20 30 GGEDRN N#CC1(C(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CCCCC1 ZINC000430174277 566996835 /nfs/dbraw/zinc/99/68/35/566996835.db2.gz YDBSQYKFNHGDER-OAHLLOKOSA-N 0 0 379.298 3.190 20 30 GGEDRN COc1cc(Br)cc(S(=O)(=O)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000612792592 566997068 /nfs/dbraw/zinc/99/70/68/566997068.db2.gz FBKJZLRQLOLTTF-NSHDSACASA-N 0 0 395.278 3.369 20 30 GGEDRN N#Cc1ccc(O[C@H]2CCN(Cc3cnc4ccc(Br)cn34)C2)nc1 ZINC000430177296 566997134 /nfs/dbraw/zinc/99/71/34/566997134.db2.gz 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C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000430312381 567008604 /nfs/dbraw/zinc/00/86/04/567008604.db2.gz BOEBAGCYALFVAZ-SNVBAGLBSA-N 0 0 398.257 3.465 20 30 GGEDRN C=C(C)CCNC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O ZINC000452716858 567009279 /nfs/dbraw/zinc/00/92/79/567009279.db2.gz JGJFXCPXFXMLCK-KRWDZBQOSA-N 0 0 392.297 3.060 20 30 GGEDRN C=CCCNS(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000657077593 567010655 /nfs/dbraw/zinc/01/06/55/567010655.db2.gz VCHGNWJFMTZFMR-UHFFFAOYSA-N 0 0 383.105 3.374 20 30 GGEDRN C=CCN([C@H](C)COC)S(=O)(=O)c1cc(Cl)ccc1Br ZINC000657073715 567010699 /nfs/dbraw/zinc/01/06/99/567010699.db2.gz QVGATUJTPDXVLY-SNVBAGLBSA-N 0 0 382.707 3.314 20 30 GGEDRN C=CCN([C@H](C)COC)S(=O)(=O)c1cccc(Cl)c1Br ZINC000657073097 567010832 /nfs/dbraw/zinc/01/08/32/567010832.db2.gz HMFCAUDULXSXST-SNVBAGLBSA-N 0 0 382.707 3.314 20 30 GGEDRN CC[C@@H](COCC(F)(F)F)NC(=O)c1ccc(Br)cc1C#N ZINC000452733595 567010966 /nfs/dbraw/zinc/01/09/66/567010966.db2.gz 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ZINC000584112161 567013399 /nfs/dbraw/zinc/01/33/99/567013399.db2.gz QTFXXURBKBTLSQ-UHFFFAOYSA-N 0 0 395.282 3.458 20 30 GGEDRN C=CCN(C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000494634073 567013518 /nfs/dbraw/zinc/01/35/18/567013518.db2.gz HMGLEORFFJFPJF-UHFFFAOYSA-N 0 0 387.075 3.478 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000430381974 567013865 /nfs/dbraw/zinc/01/38/65/567013865.db2.gz VYTWTLFSOGPHTJ-WMLDXEAASA-N 0 0 398.260 3.240 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1CCO[C@H]1C(=C)C ZINC000430383555 567013936 /nfs/dbraw/zinc/01/39/36/567013936.db2.gz IHGPARUSTZYCPO-CJNGLKHVSA-N 0 0 382.913 3.014 20 30 GGEDRN C=CCn1c(SCC(=O)NC(CF)CF)nnc1-c1ccc(Cl)cc1 ZINC000452757343 567013941 /nfs/dbraw/zinc/01/39/41/567013941.db2.gz MNXLYDAESGWAQQ-UHFFFAOYSA-N 0 0 386.855 3.300 20 30 GGEDRN COc1ccc(COCCn2c(C)c(Br)cc(C#N)c2=O)cc1 ZINC000613110836 567014772 /nfs/dbraw/zinc/01/47/72/567014772.db2.gz SEFNXAGBCXRRNA-UHFFFAOYSA-N 0 0 377.238 3.016 20 30 GGEDRN CN(CC(=O)Nc1ccccc1Br)c1ncc2c(c1C#N)CCC2 ZINC000564877044 567015961 /nfs/dbraw/zinc/01/59/61/567015961.db2.gz KQYAAAPYOTXQOI-UHFFFAOYSA-N 0 0 385.265 3.279 20 30 GGEDRN Cc1cccnc1CCCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000452776957 567016572 /nfs/dbraw/zinc/01/65/72/567016572.db2.gz YJMLSPJCCTVPAP-UHFFFAOYSA-N 0 0 388.265 3.152 20 30 GGEDRN C=CC(C)(C)CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000452780139 567016635 /nfs/dbraw/zinc/01/66/35/567016635.db2.gz WMHZGWONBUFRCL-UHFFFAOYSA-N 0 0 377.535 3.447 20 30 GGEDRN C=CC(C)(C)CNC(=O)COc1c(Br)cc(C#N)cc1OCC ZINC000452775347 567016718 /nfs/dbraw/zinc/01/67/18/567016718.db2.gz HMQBTDFGMJXTFH-UHFFFAOYSA-N 0 0 381.270 3.427 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)CC)s1 ZINC000472303715 567017022 /nfs/dbraw/zinc/01/70/22/567017022.db2.gz XVAXRNRAAVKDRY-UHFFFAOYSA-N 0 0 378.519 3.440 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC(OC(C)C)CC1 ZINC000584158681 567017858 /nfs/dbraw/zinc/01/78/58/567017858.db2.gz VGYSIPGIYPLYIH-UHFFFAOYSA-N 0 0 384.929 3.332 20 30 GGEDRN C=CCn1c(SCC(=O)N2CC[C@H](F)C2)nnc1-c1ccc(Cl)cc1 ZINC000452795590 567018111 /nfs/dbraw/zinc/01/81/11/567018111.db2.gz MDBZYZPLUXXVEI-AWEZNQCLSA-N 0 0 380.876 3.447 20 30 GGEDRN C=CCn1c(SCC(=O)N2CC[C@@H](F)C2)nnc1-c1ccc(Cl)cc1 ZINC000452795593 567018434 /nfs/dbraw/zinc/01/84/34/567018434.db2.gz MDBZYZPLUXXVEI-CQSZACIVSA-N 0 0 380.876 3.447 20 30 GGEDRN CC(C)(C)c1nc(CS(=O)(=O)Cc2cc(C#N)ccc2Br)no1 ZINC000520694194 567018466 /nfs/dbraw/zinc/01/84/66/567018466.db2.gz ZWBHYCJOXAJTJR-UHFFFAOYSA-N 0 0 398.282 3.116 20 30 GGEDRN CN(Cc1cc(Br)ccc1Cl)C(=O)N=c1ccn(CCC#N)[nH]1 ZINC000494766977 567020077 /nfs/dbraw/zinc/02/00/77/567020077.db2.gz FRYKWOKOAZJNGT-UHFFFAOYSA-N 0 0 396.676 3.298 20 30 GGEDRN C=CCC1(NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCOCC1 ZINC000657129534 567020279 /nfs/dbraw/zinc/02/02/79/567020279.db2.gz RXMMGNQMJUFKPE-UHFFFAOYSA-N 0 0 383.363 3.128 20 30 GGEDRN N#C[C@@H](NC(=O)CNC(=O)Cc1ccccc1)c1c(Cl)cccc1Cl ZINC000520711367 567020332 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Cc1cc(NC(=O)c2cnc3ncc(Br)cc3c2)n(CCC#N)n1 ZINC000614814975 567141650 /nfs/dbraw/zinc/14/16/50/567141650.db2.gz NHUPFSDCKIASTL-UHFFFAOYSA-N 0 0 385.225 3.063 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)NCCCc2cccc(Br)c2)cc1 ZINC000588890071 567142556 /nfs/dbraw/zinc/14/25/56/567142556.db2.gz RPPCWGLIZJKSNR-UHFFFAOYSA-N 0 0 393.306 3.373 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 ZINC000588895268 567142699 /nfs/dbraw/zinc/14/26/99/567142699.db2.gz GSCXKVXYNUSSTO-VXGBXAGGSA-N 0 0 386.317 3.061 20 30 GGEDRN CC(C)(CC(F)(F)F)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000614856877 567143540 /nfs/dbraw/zinc/14/35/40/567143540.db2.gz QFAXLXNXIPAJTK-UHFFFAOYSA-N 0 0 385.205 3.330 20 30 GGEDRN O=S(=O)(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cncc(F)c1 ZINC000588904739 567144008 /nfs/dbraw/zinc/14/40/08/567144008.db2.gz FEAQDESPEBZQQW-YUMQZZPRSA-N 0 0 394.312 3.409 20 30 GGEDRN C=CCC(C)(C)CNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000432270679 567144070 /nfs/dbraw/zinc/14/40/70/567144070.db2.gz 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COC(=O)CN(Cc1cccc(Br)c1)C(=O)CCCCCC#N ZINC000588973411 567147678 /nfs/dbraw/zinc/14/76/78/567147678.db2.gz TULQBWWKKSIJGC-UHFFFAOYSA-N 0 0 381.270 3.425 20 30 GGEDRN CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(C#N)cc3Br)[C@@H]2C1 ZINC000588979301 567147781 /nfs/dbraw/zinc/14/77/81/567147781.db2.gz KUBGVAWRPJABHF-LZLYRXPVSA-N 0 0 376.298 3.057 20 30 GGEDRN COc1c(Cl)cc(NC(=O)C(=O)NCc2cccc(C#N)c2)cc1Cl ZINC000523209199 567148042 /nfs/dbraw/zinc/14/80/42/567148042.db2.gz AQOWBGQTAYLCPP-UHFFFAOYSA-N 0 0 378.215 3.129 20 30 GGEDRN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(C#N)ccc3Br)[C@H]2C1 ZINC000588978441 567148004 /nfs/dbraw/zinc/14/80/04/567148004.db2.gz ISGYUJBLOKQMIC-ZVZYQTTQSA-N 0 0 376.298 3.057 20 30 GGEDRN C=CC[C@@H]1CCCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)C1 ZINC000658534146 567148149 /nfs/dbraw/zinc/14/81/49/567148149.db2.gz CVGPCYLSYQIDTD-MRXNPFEDSA-N 0 0 393.325 3.265 20 30 GGEDRN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(C#N)ccc3Br)[C@@H]2C1 ZINC000588978438 567148197 /nfs/dbraw/zinc/14/81/97/567148197.db2.gz ISGYUJBLOKQMIC-LESCRADOSA-N 0 0 376.298 3.057 20 30 GGEDRN Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000498070429 567149155 /nfs/dbraw/zinc/14/91/55/567149155.db2.gz HTZKCCPJQMSHLL-KRWDZBQOSA-N 0 0 398.260 3.371 20 30 GGEDRN Cn1cc(C(=O)Nc2ccc(C#N)c(Br)c2)c(-c2cccnc2)n1 ZINC000589009500 567149776 /nfs/dbraw/zinc/14/97/76/567149776.db2.gz JZXDUVNNPIDQQY-UHFFFAOYSA-N 0 0 382.221 3.369 20 30 GGEDRN C=C(C)CN(CC)C(=O)[C@H](C)n1nnc(-c2ccc(Br)cc2)n1 ZINC000498076115 567150119 /nfs/dbraw/zinc/15/01/19/567150119.db2.gz FXMGSAQEGCXODK-LBPRGKRZSA-N 0 0 378.274 3.088 20 30 GGEDRN C=C(C)CN(CC)C(=O)CNc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000432320482 567150325 /nfs/dbraw/zinc/15/03/25/567150325.db2.gz PFTAMERJQUDNJT-UHFFFAOYSA-N 0 0 387.249 3.211 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)CNC(=O)c1ccc(Br)s1 ZINC000498094452 567151597 /nfs/dbraw/zinc/15/15/97/567151597.db2.gz KWVHFOQTDUKTBA-UHFFFAOYSA-N 0 0 397.294 3.091 20 30 GGEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(I)cc1C ZINC000454171676 567151884 /nfs/dbraw/zinc/15/18/84/567151884.db2.gz YPYDMUTZKOSHEW-KGLIPLIRSA-N 0 0 386.233 3.455 20 30 GGEDRN Cc1cc(Br)cn2cc(CCNC(=O)Cc3ccc(C#N)cc3)nc12 ZINC000546763951 567154150 /nfs/dbraw/zinc/15/41/50/567154150.db2.gz DOIXVCDZQKDAPL-UHFFFAOYSA-N 0 0 397.276 3.178 20 30 GGEDRN CN(C)c1cc(C#N)cc(C(=O)NCCOc2cccc(Br)c2)c1 ZINC000432389077 567156410 /nfs/dbraw/zinc/15/64/10/567156410.db2.gz UXBVZQRLZCTQRH-UHFFFAOYSA-N 0 0 388.265 3.196 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]2c2ccccc2)cc1Br ZINC000498176105 567156478 /nfs/dbraw/zinc/15/64/78/567156478.db2.gz KDZQVPLFEPXOKK-INIZCTEOSA-N 0 0 384.233 3.233 20 30 GGEDRN Cc1cc(Br)ccc1CC(=O)Nc1nc2n(c1C#N)CCS2 ZINC000498176321 567156765 /nfs/dbraw/zinc/15/67/65/567156765.db2.gz LSJDETFOTVEBKD-UHFFFAOYSA-N 0 0 377.267 3.113 20 30 GGEDRN C[C@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)c1ccccc1 ZINC000589122303 567157300 /nfs/dbraw/zinc/15/73/00/567157300.db2.gz MBAYXXGWWXRVAN-JTQLQIEISA-N 0 0 383.242 3.499 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1coc(C(N)=O)c1 ZINC000546792517 567159167 /nfs/dbraw/zinc/15/91/67/567159167.db2.gz DCXIOJWGRMTGBK-UHFFFAOYSA-N 0 0 381.201 3.109 20 30 GGEDRN C=CCCCCCN(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000523510992 567160389 /nfs/dbraw/zinc/16/03/89/567160389.db2.gz NTBCOWFALLFGCN-UHFFFAOYSA-N 0 0 384.567 3.280 20 30 GGEDRN N#Cc1cc(F)c(N[C@H]2CCN(CC(F)(F)F)C2=O)cc1Br ZINC000566478570 567161625 /nfs/dbraw/zinc/16/16/25/567161625.db2.gz LNZXIKUJGLKHOJ-JTQLQIEISA-N 0 0 380.139 3.035 20 30 GGEDRN C[C@H](Cc1cccc(Br)c1)NS(=O)(=O)c1ccc(C#N)cc1F ZINC000523565775 567161986 /nfs/dbraw/zinc/16/19/86/567161986.db2.gz DKUKOHZBRIRYAG-LLVKDONJSA-N 0 0 397.269 3.369 20 30 GGEDRN C=C(C)[C@H](CC(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1)OCC ZINC000615127755 567162334 /nfs/dbraw/zinc/16/23/34/567162334.db2.gz SPSZJCJIFFJAPR-ZBFHGGJFSA-N 0 0 383.286 3.195 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCc3c2cccc3Br)c(F)c1 ZINC000523569502 567162392 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HLXWWAQJKGPHNZ-OKILXGFUSA-N 0 0 393.281 3.496 20 30 GGEDRN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000658867778 567166790 /nfs/dbraw/zinc/16/67/90/567166790.db2.gz YAAWHARHYFPMEI-BETUJISGSA-N 0 0 379.254 3.106 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000523685130 567167191 /nfs/dbraw/zinc/16/71/91/567167191.db2.gz YZORJCYUWBOXRI-UHFFFAOYSA-N 0 0 397.204 3.356 20 30 GGEDRN Cc1cc(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)n(CCC#N)n1 ZINC000523702078 567167209 /nfs/dbraw/zinc/16/72/09/567167209.db2.gz QAEWAKSLOMNHIC-UHFFFAOYSA-N 0 0 377.235 3.241 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2CC(=O)c2ccco2)c(Cl)c1 ZINC000546877359 567168290 /nfs/dbraw/zinc/16/82/90/567168290.db2.gz PPUURUMBZVSECH-ZDUSSCGKSA-N 0 0 378.837 3.231 20 30 GGEDRN CC[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000546884557 567168750 /nfs/dbraw/zinc/16/87/50/567168750.db2.gz NFEJFVFKIWOVQQ-JTQLQIEISA-N 0 0 385.205 3.330 20 30 GGEDRN COc1c2ccccc2oc1CNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000474396991 567168794 /nfs/dbraw/zinc/16/87/94/567168794.db2.gz XHUXCVIFZUZMFR-UHFFFAOYSA-N 0 0 376.821 3.445 20 30 GGEDRN COc1ccc([C@@H](C)N[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1Br ZINC000523736949 567169476 /nfs/dbraw/zinc/16/94/76/567169476.db2.gz BHEKGZWZBSGUQC-PIGZYNQJSA-N 0 0 388.265 3.207 20 30 GGEDRN C=CCn1c(-c2cccc(Br)c2)nnc1N(CCC#N)CCOC ZINC000589248040 567170186 /nfs/dbraw/zinc/17/01/86/567170186.db2.gz GAIUHDUDZCAIHQ-UHFFFAOYSA-N 0 0 390.285 3.260 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)Nc1ccc(I)cc1Cl ZINC000454395676 567170592 /nfs/dbraw/zinc/17/05/92/567170592.db2.gz ZJWBQWMWZKVRIZ-SNVBAGLBSA-N 0 0 394.640 3.393 20 30 GGEDRN N#Cc1cncc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2Br)c1 ZINC000589281326 567171387 /nfs/dbraw/zinc/17/13/87/567171387.db2.gz JPWSXQLPLHKNKA-MRXNPFEDSA-N 0 0 392.278 3.242 20 30 GGEDRN C=CC[C@@H](CO)CNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000474442687 567171813 /nfs/dbraw/zinc/17/18/13/567171813.db2.gz ZGQULXCIBZVSMG-HIFRSBDPSA-N 0 0 386.323 3.446 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(I)c(O)c2)C1 ZINC000546918705 567171823 /nfs/dbraw/zinc/17/18/23/567171823.db2.gz VRERPSMLGHODBZ-BMIGLBTASA-N 0 0 384.217 3.199 20 30 GGEDRN C=CC[C@@H](CO)CNC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000474442688 567171927 /nfs/dbraw/zinc/17/19/27/567171927.db2.gz ZGQULXCIBZVSMG-UKRRQHHQSA-N 0 0 386.323 3.446 20 30 GGEDRN C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(I)c(O)c2)C1 ZINC000546918709 567171997 /nfs/dbraw/zinc/17/19/97/567171997.db2.gz VRERPSMLGHODBZ-ZUZCIYMTSA-N 0 0 384.217 3.199 20 30 GGEDRN C=CCn1c(SCCNC(=O)NC(C)C)nc2sc(C)c(C)c2c1=O ZINC000566619230 567173193 /nfs/dbraw/zinc/17/31/93/567173193.db2.gz DCYPVLIFFICTPE-UHFFFAOYSA-N 0 0 380.539 3.061 20 30 GGEDRN CC[C@@H](CSc1ccc(C)c(C)c1)NS(=O)(=O)c1cncc(C#N)c1 ZINC000589284469 567173522 /nfs/dbraw/zinc/17/35/22/567173522.db2.gz XSZCTNHYTGLMEA-INIZCTEOSA-N 0 0 375.519 3.419 20 30 GGEDRN C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474447005 567173524 /nfs/dbraw/zinc/17/35/24/567173524.db2.gz 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567183244 /nfs/dbraw/zinc/18/32/44/567183244.db2.gz AIFKIRRTHQMCFV-LLVKDONJSA-N 0 0 375.837 3.024 20 30 GGEDRN CC[C@@](C)(NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(C)cs1 ZINC000566710972 567183589 /nfs/dbraw/zinc/18/35/89/567183589.db2.gz AYWJDCLDBUUTLY-QGZVFWFLSA-N 0 0 376.869 3.357 20 30 GGEDRN CC1(C)C(=O)N[C@@H]1C1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000566746146 567185565 /nfs/dbraw/zinc/18/55/65/567185565.db2.gz VNKJHAZDAOSQGE-MRXNPFEDSA-N 0 0 376.298 3.057 20 30 GGEDRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1F ZINC000524150214 567185493 /nfs/dbraw/zinc/18/54/93/567185493.db2.gz WFXDFWZMWUXGRC-DIFFPNOSSA-N 0 0 382.844 3.405 20 30 GGEDRN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cccc(CC#N)c2)c1C ZINC000589591279 567185594 /nfs/dbraw/zinc/18/55/94/567185594.db2.gz LYTXOGXJXIEMBY-UHFFFAOYSA-N 0 0 378.837 3.302 20 30 GGEDRN CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432768498 567186109 /nfs/dbraw/zinc/18/61/09/567186109.db2.gz LMFAXOJFZXSOFW-UHFFFAOYSA-N 0 0 396.222 3.054 20 30 GGEDRN C=CCn1cccc1-c1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000566764009 567186763 /nfs/dbraw/zinc/18/67/63/567186763.db2.gz IPJFXLBOSGFXQP-UHFFFAOYSA-N 0 0 387.237 3.417 20 30 GGEDRN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000524200394 567186664 /nfs/dbraw/zinc/18/66/64/567186664.db2.gz KZYAEABOUHGHRX-ADLMAVQZSA-N 0 0 388.265 3.493 20 30 GGEDRN COc1ccc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)cc1F ZINC000432767380 567187128 /nfs/dbraw/zinc/18/71/28/567187128.db2.gz SRIHUPPJUGXXMQ-UHFFFAOYSA-N 0 0 385.214 3.269 20 30 GGEDRN CC(C)(C)NS(=O)(=O)c1ccccc1CNc1ncc(C#N)cc1Cl ZINC000524166684 567187313 /nfs/dbraw/zinc/18/73/13/567187313.db2.gz WGOWIQYPGWYUOC-UHFFFAOYSA-N 0 0 378.885 3.296 20 30 GGEDRN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432774833 567187898 /nfs/dbraw/zinc/18/78/98/567187898.db2.gz FMJHYPVVUAQORG-NSHDSACASA-N 0 0 377.263 3.461 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)COC1CCOCC1 ZINC000524214322 567188078 /nfs/dbraw/zinc/18/80/78/567188078.db2.gz 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ZINC000455220039 567248253 /nfs/dbraw/zinc/24/82/53/567248253.db2.gz LVRFKHRCAMINQG-UHFFFAOYSA-N 0 0 386.279 3.334 20 30 GGEDRN C=CCC[C@@H](CO)NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000455220065 567248268 /nfs/dbraw/zinc/24/82/68/567248268.db2.gz SUERFYKOHNPJKU-HNNXBMFYSA-N 0 0 393.285 3.143 20 30 GGEDRN N#C[C@@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1ccc(Br)cc1 ZINC000499435127 567248594 /nfs/dbraw/zinc/24/85/94/567248594.db2.gz WOOXEFNYVLQCPA-GDBMZVCRSA-N 0 0 384.233 3.256 20 30 GGEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc(Cl)c1S(=O)(=O)C(C)C ZINC000567482879 567249297 /nfs/dbraw/zinc/24/92/97/567249297.db2.gz AHKRFEZDDVEIMA-HIFRSBDPSA-N 0 0 386.901 3.377 20 30 GGEDRN N#CCN1CCC(NC(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000590804766 567249393 /nfs/dbraw/zinc/24/93/93/567249393.db2.gz ZNGYGXNDAILEIO-BLLLJJGKSA-N 0 0 381.307 3.384 20 30 GGEDRN Cc1nc2cc(Br)cc(NC(=O)NC3CCN(CC#N)CC3)c2o1 ZINC000590829510 567251120 /nfs/dbraw/zinc/25/11/20/567251120.db2.gz HHRHHJLRMAAZQM-UHFFFAOYSA-N 0 0 392.257 3.008 20 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/nfs/dbraw/zinc/25/68/98/567256898.db2.gz JAPPJSGXLKGDEJ-UHFFFAOYSA-N 0 0 399.921 3.198 20 30 GGEDRN CCN(CCOc1ccc(Br)cc1)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000525635471 567257368 /nfs/dbraw/zinc/25/73/68/567257368.db2.gz AWKRYZTZCQQAKB-SFHVURJKSA-N 0 0 396.329 3.204 20 30 GGEDRN COCC1(C#N)CCN(C(=O)NC/C=C/c2ccc(Br)cc2)CC1 ZINC000455299659 567257949 /nfs/dbraw/zinc/25/79/49/567257949.db2.gz CDIRDRBPIUUNKC-NSCUHMNNSA-N 0 0 392.297 3.424 20 30 GGEDRN COC(=O)c1cc(NC(=O)NCC(C)(C)CC#N)c(Br)cc1F ZINC000590956575 567258356 /nfs/dbraw/zinc/25/83/56/567258356.db2.gz UVRVQQKUQRNTBD-UHFFFAOYSA-N 0 0 386.221 3.436 20 30 GGEDRN CC(C)N(CC(F)(F)F)C(=O)COc1cccc(Br)c1C#N ZINC000590979194 567259408 /nfs/dbraw/zinc/25/94/08/567259408.db2.gz CFZZZHNIKHSLNQ-UHFFFAOYSA-N 0 0 379.176 3.499 20 30 GGEDRN N#Cc1ccc(Br)cc1S(=O)(=O)N1CCc2sccc2C1 ZINC000567596915 567259589 /nfs/dbraw/zinc/25/95/89/567259589.db2.gz VSHPEPNAHSZDGW-UHFFFAOYSA-N 0 0 383.292 3.129 20 30 GGEDRN C=CCCN(C)C(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000685131590 567259581 /nfs/dbraw/zinc/25/95/81/567259581.db2.gz YXIFUHQJPLUZOT-UHFFFAOYSA-N 0 0 393.325 3.412 20 30 GGEDRN Cc1c(Br)cc(C(=O)Nc2ccc(C#N)c(Cl)c2)c(=O)n1C ZINC000433577945 567259939 /nfs/dbraw/zinc/25/99/39/567259939.db2.gz HPZYTEDDKSKSHU-UHFFFAOYSA-N 0 0 380.629 3.234 20 30 GGEDRN Cc1cc(NC(=O)CNC(=O)c2cccc(CC#N)c2)ccc1Br ZINC000499618632 567260134 /nfs/dbraw/zinc/26/01/34/567260134.db2.gz NFYVAGPEQJLJNW-UHFFFAOYSA-N 0 0 386.249 3.192 20 30 GGEDRN COc1ccccc1C1(CNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000475596537 567260424 /nfs/dbraw/zinc/26/04/24/567260424.db2.gz QCHCDFYJVXCPMZ-UHFFFAOYSA-N 0 0 376.865 3.230 20 30 GGEDRN C=C1CCN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000591062842 567263300 /nfs/dbraw/zinc/26/33/00/567263300.db2.gz OFFGWGLNNIGHGI-UHFFFAOYSA-N 0 0 391.265 3.004 20 30 GGEDRN CNc1cc(I)ccc1C(=O)N1CCC[C@](C)(C#N)C1 ZINC000591075866 567263337 /nfs/dbraw/zinc/26/33/37/567263337.db2.gz WQVKLBGNAZPCRW-OAHLLOKOSA-N 0 0 383.233 3.099 20 30 GGEDRN Cc1nc2ccc(Br)cn2c1C(=O)N(CCC#N)Cc1ccccn1 ZINC000475660400 567265349 /nfs/dbraw/zinc/26/53/49/567265349.db2.gz IPELUIKCJFRGIW-UHFFFAOYSA-N 0 0 398.264 3.356 20 30 GGEDRN NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)s1 ZINC000591121391 567265757 /nfs/dbraw/zinc/26/57/57/567265757.db2.gz PZJBJQNZTWLCQG-UHFFFAOYSA-N 0 0 388.495 3.109 20 30 GGEDRN Cc1ccc(NC(=O)C(=O)N2CCc3ccc(C#N)cc32)cc1Br ZINC000433661695 567266043 /nfs/dbraw/zinc/26/60/43/567266043.db2.gz BLJPEVMDZONYQH-UHFFFAOYSA-N 0 0 384.233 3.157 20 30 GGEDRN Cc1ccc(Br)cc1NC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000433666819 567266327 /nfs/dbraw/zinc/26/63/27/567266327.db2.gz JWNMMRBLQCTFBQ-UHFFFAOYSA-N 0 0 384.233 3.157 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)NCC2(SC)CC2)nnc1-c1ccco1 ZINC000433715634 567267758 /nfs/dbraw/zinc/26/77/58/567267758.db2.gz UMNGFKAVGFRBTK-UHFFFAOYSA-N 0 0 378.523 3.218 20 30 GGEDRN C=CC(C)(C)CNC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000455381313 567268081 /nfs/dbraw/zinc/26/80/81/567268081.db2.gz HZHZJCDXMJWIFN-UHFFFAOYSA-N 0 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Cc1c(Cl)cnc(N[C@@H](C)CCNS(=O)(=O)c2ccccc2)c1C#N ZINC000548964772 567363454 /nfs/dbraw/zinc/36/34/54/567363454.db2.gz NATGYQBQLDKKMN-LBPRGKRZSA-N 0 0 378.885 3.084 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCC2(CCOCc3ccccc3)CC2)s1 ZINC000435426186 567363466 /nfs/dbraw/zinc/36/34/66/567363466.db2.gz GSBWEYXWIGXBNT-UHFFFAOYSA-N 0 0 376.503 3.285 20 30 GGEDRN C=CCC[C@@H](NC(=O)c1c(F)ccc(Br)c1OC)C(=O)OCC ZINC000592804250 567363612 /nfs/dbraw/zinc/36/36/12/567363612.db2.gz WHNCTDGSPPITPZ-GFCCVEGCSA-N 0 0 388.233 3.225 20 30 GGEDRN CN(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435430637 567364131 /nfs/dbraw/zinc/36/41/31/567364131.db2.gz DFSZYFWZELLFQE-UHFFFAOYSA-N 0 0 376.381 3.339 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)s1 ZINC000435433700 567364153 /nfs/dbraw/zinc/36/41/53/567364153.db2.gz OXAXFWOJLRBOBN-QWHCGFSZSA-N 0 0 383.292 3.217 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCCc2cc(Br)ccc2F)s1 ZINC000435433222 567364287 /nfs/dbraw/zinc/36/42/87/567364287.db2.gz MSOGRXTVVUFGFE-UHFFFAOYSA-N 0 0 389.271 3.042 20 30 GGEDRN C[C@H](Cc1cccc(Br)c1)NS(=O)(=O)c1ccc(C#N)s1 ZINC000435432059 567364330 /nfs/dbraw/zinc/36/43/30/567364330.db2.gz LJKGWQWIXDQOEW-SNVBAGLBSA-N 0 0 385.308 3.292 20 30 GGEDRN CN(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(Cl)cc1 ZINC000548978574 567364414 /nfs/dbraw/zinc/36/44/14/567364414.db2.gz DNACGUBRSPONCL-MRXNPFEDSA-N 0 0 398.315 3.446 20 30 GGEDRN N#Cc1ccsc1NC(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000568890307 567364534 /nfs/dbraw/zinc/36/45/34/567364534.db2.gz DBGNMNYSNXBWFN-UHFFFAOYSA-N 0 0 398.271 3.450 20 30 GGEDRN Cc1ccc(CNS(=O)(=O)c2ccc(C#N)s2)c(OCC(F)(F)F)c1 ZINC000435433138 567364860 /nfs/dbraw/zinc/36/48/60/567364860.db2.gz QESHNJUZQNNORB-UHFFFAOYSA-N 0 0 390.408 3.348 20 30 GGEDRN CCCN([C@@H](C)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435432570 567364916 /nfs/dbraw/zinc/36/49/16/567364916.db2.gz NSFXFHLDWWTPBQ-ZDUSSCGKSA-N 0 0 377.491 3.048 20 30 GGEDRN N#Cc1ccc(Br)c(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000477030029 567365330 /nfs/dbraw/zinc/36/53/30/567365330.db2.gz ADCIPNHNXARZBY-UHFFFAOYSA-N 0 0 381.207 3.203 20 30 GGEDRN CC(C)[C@@](C)(NC(=O)c1cnn(C)c1C#N)c1ccc(Br)cc1 ZINC000477022932 567365393 /nfs/dbraw/zinc/36/53/93/567365393.db2.gz FJDHCAGQUMADDZ-QGZVFWFLSA-N 0 0 375.270 3.355 20 30 GGEDRN Cn1c(CC#N)nnc1SCC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000477031683 567365457 /nfs/dbraw/zinc/36/54/57/567365457.db2.gz AJKAILKTLBVYEJ-UHFFFAOYSA-N 0 0 389.790 3.284 20 30 GGEDRN CCOc1c(Cl)cc(CNS(=O)(=O)c2ccc(C#N)s2)cc1OC ZINC000435434243 567365556 /nfs/dbraw/zinc/36/55/56/567365556.db2.gz WVZWKEIJSVXMJY-UHFFFAOYSA-N 0 0 386.882 3.159 20 30 GGEDRN CC[C@@](C)(COc1ncccc1Cl)NS(=O)(=O)c1ccc(C#N)s1 ZINC000435436593 567365846 /nfs/dbraw/zinc/36/58/46/567365846.db2.gz GGZCGIZQRXAVGI-HNNXBMFYSA-N 0 0 385.898 3.194 20 30 GGEDRN C=CCC1(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)CCOCC1 ZINC000618251507 567366369 /nfs/dbraw/zinc/36/63/69/567366369.db2.gz MAGDKYOAPUHUFG-UHFFFAOYSA-N 0 0 390.281 3.490 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2CC(=O)c2ccc(F)cc2)s1 ZINC000435434307 567366395 /nfs/dbraw/zinc/36/63/95/567366395.db2.gz RSCMRVIBMLOWAV-AWEZNQCLSA-N 0 0 378.450 3.185 20 30 GGEDRN C[C@H](COc1ccccc1C(F)(F)F)NS(=O)(=O)c1ccc(C#N)s1 ZINC000435435980 567366685 /nfs/dbraw/zinc/36/66/85/567366685.db2.gz CWNPZQUDKJSPTC-SNVBAGLBSA-N 0 0 390.408 3.384 20 30 GGEDRN C=CCC1(NC(=O)c2cc(OC)c(OC)cc2Br)CCOCC1 ZINC000618251129 567366742 /nfs/dbraw/zinc/36/67/42/567366742.db2.gz AFADQEFABLORAR-UHFFFAOYSA-N 0 0 384.270 3.321 20 30 GGEDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435436031 567366894 /nfs/dbraw/zinc/36/68/94/567366894.db2.gz DHEJJISMNQZBPI-QAPCUYQASA-N 0 0 376.503 3.374 20 30 GGEDRN C[C@@H](COc1ccccc1C(F)(F)F)NS(=O)(=O)c1ccc(C#N)s1 ZINC000435435979 567366906 /nfs/dbraw/zinc/36/69/06/567366906.db2.gz CWNPZQUDKJSPTC-JTQLQIEISA-N 0 0 390.408 3.384 20 30 GGEDRN Cc1cc(SCC(=O)N2CC[C@](O)(CC#N)C2)c(C)cc1Br ZINC000592843418 567367721 /nfs/dbraw/zinc/36/77/21/567367721.db2.gz 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CC1(C)[C@H](NC(=O)COc2cccc(Br)c2C#N)[C@H]2CCCO[C@@H]21 ZINC000568956144 567369498 /nfs/dbraw/zinc/36/94/98/567369498.db2.gz GNCBCRNQPYTXNE-LQAWEQHXSA-N 0 0 393.281 3.019 20 30 GGEDRN CN(Cc1ccc(Br)c(F)c1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435442558 567369639 /nfs/dbraw/zinc/36/96/39/567369639.db2.gz LQZOQRMDTHEMTC-UHFFFAOYSA-N 0 0 389.271 3.342 20 30 GGEDRN N#Cc1cccc(NC(=O)C(=O)N(C2CC2)C2CCCC2)c1Br ZINC000568967345 567369782 /nfs/dbraw/zinc/36/97/82/567369782.db2.gz SYTZIZCGBJEBAC-UHFFFAOYSA-N 0 0 376.254 3.193 20 30 GGEDRN N#CC[C@]1(O)CCN(C(=O)Cc2csc3ccc(Br)cc23)C1 ZINC000592853769 567370074 /nfs/dbraw/zinc/37/00/74/567370074.db2.gz RULLNSMHSRNFGL-INIZCTEOSA-N 0 0 379.279 3.083 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000435444369 567370082 /nfs/dbraw/zinc/37/00/82/567370082.db2.gz WMLGRQLXPXXKAZ-UKRRQHHQSA-N 0 0 386.857 3.221 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)s1 ZINC000435448431 567371097 /nfs/dbraw/zinc/37/10/97/567371097.db2.gz VXZIMUBIWWSTCH-OAHLLOKOSA-N 0 0 380.466 3.129 20 30 GGEDRN CS(=O)(=O)c1cc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cs1 ZINC000501212127 567372857 /nfs/dbraw/zinc/37/28/57/567372857.db2.gz UVIVJQUDZFPMKV-LLVKDONJSA-N 0 0 389.285 3.453 20 30 GGEDRN CCc1c(C)sc(NC(=O)CCn2cc(Br)ccc2=O)c1C#N ZINC000477114804 567373121 /nfs/dbraw/zinc/37/31/21/567373121.db2.gz PVBCPINKNDLAHS-UHFFFAOYSA-N 0 0 394.294 3.444 20 30 GGEDRN Cc1nc(C(=O)NCc2noc(-c3cccc(Br)c3)n2)ccc1C#N ZINC000477140984 567373699 /nfs/dbraw/zinc/37/36/99/567373699.db2.gz KAJIWTJIUIOAQO-UHFFFAOYSA-N 0 0 398.220 3.004 20 30 GGEDRN N#Cc1ccnc(N2CCN(C(=O)Cc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000527784473 567373728 /nfs/dbraw/zinc/37/37/28/567373728.db2.gz ALMRSGGJVTVPPW-UHFFFAOYSA-N 0 0 375.259 3.151 20 30 GGEDRN C=CCn1c(-c2cccc(Br)c2)nnc1N(C)CCCCCO ZINC000569037381 567374027 /nfs/dbraw/zinc/37/40/27/567374027.db2.gz LHQSIMUTNNQEBS-UHFFFAOYSA-N 0 0 379.302 3.492 20 30 GGEDRN COc1cc(CNC(=O)[C@@]2(C#N)CC23CCCC3)c(Br)cc1O ZINC000592924964 567374076 /nfs/dbraw/zinc/37/40/76/567374076.db2.gz UUVJEEVARBEZAW-KRWDZBQOSA-N 0 0 379.254 3.254 20 30 GGEDRN N#Cc1ccnc(N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000477141353 567374250 /nfs/dbraw/zinc/37/42/50/567374250.db2.gz UYTLEHGKYPGRCG-LLVKDONJSA-N 0 0 378.219 3.281 20 30 GGEDRN N#CCc1cccc(C(=O)NCc2noc(-c3cccc(Br)c3)n2)c1 ZINC000477147761 567375189 /nfs/dbraw/zinc/37/51/89/567375189.db2.gz FSTGWNMOQAQCRG-UHFFFAOYSA-N 0 0 397.232 3.495 20 30 GGEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccoc2Br)CC1 ZINC000618345151 567376084 /nfs/dbraw/zinc/37/60/84/567376084.db2.gz ZSKTZXFSSRQVLD-OAHLLOKOSA-N 0 0 392.228 3.204 20 30 GGEDRN CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)s1 ZINC000477155271 567376216 /nfs/dbraw/zinc/37/62/16/567376216.db2.gz CKKYCSNWXUAEFD-UHFFFAOYSA-N 0 0 376.503 3.273 20 30 GGEDRN CCc1cc(C#N)c(NC(=O)CCn2cc(Br)ccc2=O)s1 ZINC000477163242 567376881 /nfs/dbraw/zinc/37/68/81/567376881.db2.gz LNNNIAXJZCEUNJ-UHFFFAOYSA-N 0 0 380.267 3.135 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000435587488 567376952 /nfs/dbraw/zinc/37/69/52/567376952.db2.gz HBSVQJPHPWNEED-QMTHXVAHSA-N 0 0 394.718 3.362 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(Cl)c1Br ZINC000435587397 567377306 /nfs/dbraw/zinc/37/73/06/567377306.db2.gz CNHXKRBYYBEQPC-HZMBPMFUSA-N 0 0 394.718 3.362 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(C)c(Br)s1 ZINC000435590410 567377380 /nfs/dbraw/zinc/37/73/80/567377380.db2.gz VXPGEVHDXBBENB-JQWIXIFHSA-N 0 0 380.329 3.079 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1cc(Br)sc1C ZINC000435590062 567377395 /nfs/dbraw/zinc/37/73/95/567377395.db2.gz UOJQZXXOAOPGLA-MFKMUULPSA-N 0 0 380.329 3.079 20 30 GGEDRN O=C(NCC(F)(F)C(F)F)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000549186899 567378468 /nfs/dbraw/zinc/37/84/68/567378468.db2.gz YQXNLAIHBPKGPW-UHFFFAOYSA-N 0 0 381.223 3.383 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNc1ncnc2ccc(I)cc21 ZINC000435602113 567378600 /nfs/dbraw/zinc/37/86/00/567378600.db2.gz 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/nfs/dbraw/zinc/52/96/45/567529645.db2.gz CKSPWNSYZOSBTC-UHFFFAOYSA-N 0 0 394.949 3.009 20 30 GGEDRN Cc1cc(Br)ccc1NC(=O)CCNC(=O)N(C)CC(C)(C)C#N ZINC000458200039 567530597 /nfs/dbraw/zinc/53/05/97/567530597.db2.gz RTVLTNKDJKYWJB-UHFFFAOYSA-N 0 0 395.301 3.277 20 30 GGEDRN CSC[C@H]1CCCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000551715239 567531712 /nfs/dbraw/zinc/53/17/12/567531712.db2.gz NUIVFLGUUXRZOL-LBPRGKRZSA-N 0 0 379.551 3.457 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000438454076 567531938 /nfs/dbraw/zinc/53/19/38/567531938.db2.gz JHXDWTOTHAVPCJ-COXVUDFISA-N 0 0 397.313 3.153 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000438454077 567531960 /nfs/dbraw/zinc/53/19/60/567531960.db2.gz JHXDWTOTHAVPCJ-JQFCIGGWSA-N 0 0 397.313 3.153 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000595003484 567533919 /nfs/dbraw/zinc/53/39/19/567533919.db2.gz HHWQXJVUDJRNKP-LBPRGKRZSA-N 0 0 392.297 3.081 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000595003481 567534613 /nfs/dbraw/zinc/53/46/13/567534613.db2.gz HHWQXJVUDJRNKP-GFCCVEGCSA-N 0 0 392.297 3.081 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000504455824 567536259 /nfs/dbraw/zinc/53/62/59/567536259.db2.gz NOESQIDCMGAPDH-VIFPVBQESA-N 0 0 377.750 3.028 20 30 GGEDRN CN(CC(C)(C)C#N)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000458275855 567537116 /nfs/dbraw/zinc/53/71/16/567537116.db2.gz LBRFCNOUAQDSIF-CQSZACIVSA-N 0 0 379.302 3.219 20 30 GGEDRN C=CCCCS(=O)(=O)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000644162055 567538164 /nfs/dbraw/zinc/53/81/64/567538164.db2.gz ZIGOPOBYCSOGPM-HNNXBMFYSA-N 0 0 379.551 3.271 20 30 GGEDRN N#Cc1cccc(F)c1CC(=O)Nc1cccc(I)c1 ZINC000504535557 567539117 /nfs/dbraw/zinc/53/91/17/567539117.db2.gz BXKXMWDCHIFENK-UHFFFAOYSA-N 0 0 380.160 3.483 20 30 GGEDRN CC(C)(CC#N)CNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000458293287 567539271 /nfs/dbraw/zinc/53/92/71/567539271.db2.gz 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C=CCCSCCNC(=O)C(=O)Nc1cccnc1-c1csc(C)c1 ZINC000595117818 567542895 /nfs/dbraw/zinc/54/28/95/567542895.db2.gz XCKMBRCYTDMKJF-UHFFFAOYSA-N 0 0 375.519 3.483 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)Nc1c(C)ccc(F)c1Br ZINC000595116445 567542922 /nfs/dbraw/zinc/54/29/22/567542922.db2.gz WFRHEWPKGIUQPS-UHFFFAOYSA-N 0 0 389.290 3.261 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000595117113 567543256 /nfs/dbraw/zinc/54/32/56/567543256.db2.gz BRPZGXMRORXXFG-UHFFFAOYSA-N 0 0 393.253 3.091 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000595116459 567543288 /nfs/dbraw/zinc/54/32/88/567543288.db2.gz WVSGEFRNSHJRAN-UHFFFAOYSA-N 0 0 385.327 3.430 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000595115742 567543298 /nfs/dbraw/zinc/54/32/98/567543298.db2.gz FCLKUJWSKKKCFL-UHFFFAOYSA-N 0 0 397.338 3.302 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000595116243 567543602 /nfs/dbraw/zinc/54/36/02/567543602.db2.gz PBBATPYJKRYWOL-UHFFFAOYSA-N 0 0 391.718 3.467 20 30 GGEDRN CC(C)(CC#N)CNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000458378226 567543658 /nfs/dbraw/zinc/54/36/58/567543658.db2.gz XWEBQPVKLNRTOF-ZDUSSCGKSA-N 0 0 379.302 3.267 20 30 GGEDRN C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000595125175 567544296 /nfs/dbraw/zinc/54/42/96/567544296.db2.gz YLYOEGKLSRKFPB-GFCCVEGCSA-N 0 0 376.254 3.074 20 30 GGEDRN C[C@H]1CC(CNC(=O)C(=O)Nc2cccc(C#N)c2Br)C[C@H](C)C1 ZINC000595127815 567544331 /nfs/dbraw/zinc/54/43/31/567544331.db2.gz PFJMEFTWGCMRSR-VXGBXAGGSA-N 0 0 392.297 3.448 20 30 GGEDRN CSCC[C@@](C)(C#N)NC(=O)c1cc(C)ccc1I ZINC000571201130 567544866 /nfs/dbraw/zinc/54/48/66/567544866.db2.gz MWLOZQXIUUZVMS-AWEZNQCLSA-N 0 0 388.274 3.365 20 30 GGEDRN C=CCCn1cc(C(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)nn1 ZINC000529752098 567545292 /nfs/dbraw/zinc/54/52/92/567545292.db2.gz STAJMOPOQIBUHS-VIFPVBQESA-N 0 0 385.212 3.386 20 30 GGEDRN C=CCCn1cc(C(=O)N[C@H](C)c2cc(F)c(Br)cc2F)nn1 ZINC000529752095 567545361 /nfs/dbraw/zinc/54/53/61/567545361.db2.gz STAJMOPOQIBUHS-SECBINFHSA-N 0 0 385.212 3.386 20 30 GGEDRN Cc1onc(CC(=O)N[C@H](C)c2cc(F)c(Br)cc2F)c1C#N ZINC000529749473 567545454 /nfs/dbraw/zinc/54/54/54/567545454.db2.gz CIYNLCWEVZAVHJ-SSDOTTSWSA-N 0 0 384.180 3.315 20 30 GGEDRN Cc1c(C#N)c(Br)ccc1NC(=O)C(=O)N1CCC[C@H](CCF)C1 ZINC000595169439 567546028 /nfs/dbraw/zinc/54/60/28/567546028.db2.gz KXIAXSDZKSSTFY-GFCCVEGCSA-N 0 0 396.260 3.166 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000595170253 567546233 /nfs/dbraw/zinc/54/62/33/567546233.db2.gz QJNMAPANTXONON-INIZCTEOSA-N 0 0 378.563 3.053 20 30 GGEDRN Cc1c(Br)ccc(NC(=O)C(=O)NCC2(C#N)CCCCC2)c1F ZINC000595186026 567546935 /nfs/dbraw/zinc/54/69/35/567546935.db2.gz WUROIKGXIKVJQH-UHFFFAOYSA-N 0 0 396.260 3.425 20 30 GGEDRN Cc1cc(NC(=O)C(=O)NCC2(C#N)CCCCC2)c(F)cc1Br ZINC000595184412 567547033 /nfs/dbraw/zinc/54/70/33/567547033.db2.gz DYJOSGBEPQRTBM-UHFFFAOYSA-N 0 0 396.260 3.425 20 30 GGEDRN Cc1cc(NC(=O)C(=O)NCC2(C#N)CCCCC2)cc(F)c1Br ZINC000595184777 567547129 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C[C@@H](CC#N)NC(=O)C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000438823037 567549354 /nfs/dbraw/zinc/54/93/54/567549354.db2.gz XLVLTGYJRUFEQM-ZETCQYMHSA-N 0 0 398.168 3.291 20 30 GGEDRN N#Cc1c(F)cccc1OC[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000438827980 567549512 /nfs/dbraw/zinc/54/95/12/567549512.db2.gz FBQGLONVLCYTDH-LBPRGKRZSA-N 0 0 384.176 3.418 20 30 GGEDRN C=CCCC(C)(C)NC(=O)C(=O)Nc1cccc(C(=O)OC)c1Br ZINC000595230766 567549793 /nfs/dbraw/zinc/54/97/93/567549793.db2.gz TVPIITSTIPPPCZ-UHFFFAOYSA-N 0 0 397.269 3.035 20 30 GGEDRN COc1cc(C#N)ccc1OC[C@H](O)COc1cc(F)cc(Br)c1 ZINC000438838119 567550283 /nfs/dbraw/zinc/55/02/83/567550283.db2.gz DMJBODWIJUSEOR-CQSZACIVSA-N 0 0 396.212 3.287 20 30 GGEDRN COc1cc(C#N)ccc1OC[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000438838118 567550320 /nfs/dbraw/zinc/55/03/20/567550320.db2.gz DMJBODWIJUSEOR-AWEZNQCLSA-N 0 0 396.212 3.287 20 30 GGEDRN C=CCCC(C)(C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000595232509 567550367 /nfs/dbraw/zinc/55/03/67/567550367.db2.gz 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COC(=O)[C@@H](C)CN(C)c1c(C#N)cnc2c(Br)c(C)ccc21 ZINC000480080601 567580458 /nfs/dbraw/zinc/58/04/58/567580458.db2.gz CTKHBEMYFHFOQV-NSHDSACASA-N 0 0 376.254 3.423 20 30 GGEDRN N#C[C@H](NC(=O)CCCNC(=O)c1ccco1)c1c(Cl)cccc1Cl ZINC000505499519 567580603 /nfs/dbraw/zinc/58/06/03/567580603.db2.gz DEBQFCGVKBGOSO-ZDUSSCGKSA-N 0 0 380.231 3.477 20 30 GGEDRN CCNc1ccc(C#N)cc1NC(=O)c1cc(CS(C)(=O)=O)c(C)s1 ZINC000552355355 567581369 /nfs/dbraw/zinc/58/13/69/567581369.db2.gz JRCZLRNWSHAVPN-UHFFFAOYSA-N 0 0 377.491 3.157 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccnc(N2CCCC2)n1)c1c(Cl)cccc1Cl ZINC000505531418 567581777 /nfs/dbraw/zinc/58/17/77/567581777.db2.gz BTMNVRCKLGWLHG-CQSZACIVSA-N 0 0 376.247 3.378 20 30 GGEDRN N#Cc1cc(Br)cn(Cc2nnc(-c3ccc(Cl)cc3)o2)c1=O ZINC000571691048 567581978 /nfs/dbraw/zinc/58/19/78/567581978.db2.gz SBLYRWCQQOSSMY-UHFFFAOYSA-N 0 0 391.612 3.234 20 30 GGEDRN N#C[C@H](NC(=O)Cn1cnc2sccc2c1=O)c1c(Cl)cccc1Cl ZINC000505533516 567582286 /nfs/dbraw/zinc/58/22/86/567582286.db2.gz QVDCIEQDGBPIOH-LBPRGKRZSA-N 0 0 393.255 3.146 20 30 GGEDRN N#C[C@H](NC(=O)c1ccnc(N2CCCC2)n1)c1c(Cl)cccc1Cl ZINC000505531417 567582536 /nfs/dbraw/zinc/58/25/36/567582536.db2.gz BTMNVRCKLGWLHG-AWEZNQCLSA-N 0 0 376.247 3.378 20 30 GGEDRN C[C@]1(c2ccc(Br)cc2)C[C@@]12NC(=O)N(CC1(CC#N)CC1)C2=O ZINC000530201312 567583241 /nfs/dbraw/zinc/58/32/41/567583241.db2.gz NFRNYIIPQRYHNK-AEFFLSMTSA-N 0 0 388.265 3.095 20 30 GGEDRN C=CC[C@@H](CO)CNC(=O)NCCc1ccc(Br)cc1Cl ZINC000458883628 567583658 /nfs/dbraw/zinc/58/36/58/567583658.db2.gz LZMYRWKFTZGRME-LLVKDONJSA-N 0 0 375.694 3.129 20 30 GGEDRN COCCOc1ncccc1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000505547240 567583789 /nfs/dbraw/zinc/58/37/89/567583789.db2.gz OMYIKYKNZFXYAO-CQSZACIVSA-N 0 0 380.231 3.408 20 30 GGEDRN C[C@H](N[C@@H](CO)c1cccc(Cl)c1Cl)C(=O)NC1(C#N)CCCCC1 ZINC000595827152 567584621 /nfs/dbraw/zinc/58/46/21/567584621.db2.gz AKJQDILXJWKHLY-WFASDCNBSA-N 0 0 384.307 3.348 20 30 GGEDRN CC(C)(CC#N)CN1C(=O)N[C@@]2(C[C@]2(C)c2ccc(Br)cc2)C1=O ZINC000530202181 567584610 /nfs/dbraw/zinc/58/46/10/567584610.db2.gz RSLRXGURTFYQDZ-MSOLQXFVSA-N 0 0 390.281 3.341 20 30 GGEDRN Cc1ccc2c(ncc(C#N)c2N2CCc3n[nH]c(=O)cc3C2)c1Br ZINC000480167540 567584629 /nfs/dbraw/zinc/58/46/29/567584629.db2.gz DDINNBAMPBZOBM-UHFFFAOYSA-N 0 0 396.248 3.236 20 30 GGEDRN N#Cc1ccc(CNC(=O)CN2CC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000595845291 567584927 /nfs/dbraw/zinc/58/49/27/567584927.db2.gz NDPGXIFPSCRDEH-GOSISDBHSA-N 0 0 384.277 3.384 20 30 GGEDRN CN(C(=O)CN[C@H](CO)c1cccc(Cl)c1Cl)C1(C#N)CCCCC1 ZINC000595827490 567585339 /nfs/dbraw/zinc/58/53/39/567585339.db2.gz CPCBUZFXODBOGY-OAHLLOKOSA-N 0 0 384.307 3.301 20 30 GGEDRN N#CCCN(Cc1ccco1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439438015 567587363 /nfs/dbraw/zinc/58/73/63/567587363.db2.gz KEGGQOBLZPILBM-HNNXBMFYSA-N 0 0 397.244 3.337 20 30 GGEDRN N#Cc1cc(F)c(N2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1Br ZINC000571776953 567587781 /nfs/dbraw/zinc/58/77/81/567587781.db2.gz NVNWNRVDEJCIFA-JLZZUVOBSA-N 0 0 383.261 3.216 20 30 GGEDRN C=CCN(C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H](C)COC ZINC000664773388 567588009 /nfs/dbraw/zinc/58/80/09/567588009.db2.gz WCBMBNRPFMTQRV-GOEBONIOSA-N 0 0 396.329 3.260 20 30 GGEDRN C=CCN(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)[C@H](C)COC ZINC000664773392 567588147 /nfs/dbraw/zinc/58/81/47/567588147.db2.gz WCBMBNRPFMTQRV-ZBFHGGJFSA-N 0 0 396.329 3.260 20 30 GGEDRN N#Cc1cc(F)c(N2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1Br ZINC000571776954 567588175 /nfs/dbraw/zinc/58/81/75/567588175.db2.gz NVNWNRVDEJCIFA-VUCTXSBTSA-N 0 0 383.261 3.216 20 30 GGEDRN N#Cc1cc(F)c(N2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)cc1Br ZINC000571776951 567588207 /nfs/dbraw/zinc/58/82/07/567588207.db2.gz NVNWNRVDEJCIFA-CSMYWGQOSA-N 0 0 383.261 3.216 20 30 GGEDRN N#Cc1cc(Br)ccc1CN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000571786904 567588226 /nfs/dbraw/zinc/58/82/26/567588226.db2.gz GIDFWDMHCJOYFU-HNNXBMFYSA-N 0 0 376.298 3.059 20 30 GGEDRN COc1ccc(S(=O)(=O)N(C)c2cccc(C#N)c2)c(Br)c1 ZINC000530284727 567589155 /nfs/dbraw/zinc/58/91/55/567589155.db2.gz KXBWPKIPFDNFAM-UHFFFAOYSA-N 0 0 381.251 3.154 20 30 GGEDRN N#Cc1c2c(cnc1N[C@@H](CO)c1ccc(Br)c(F)c1)CCC2 ZINC000571791358 567589588 /nfs/dbraw/zinc/58/95/88/567589588.db2.gz JQINMTFYYCUOEO-INIZCTEOSA-N 0 0 376.229 3.489 20 30 GGEDRN Cc1sc(C(=O)N[C@@H](C#N)c2ccccc2Cl)cc1CS(C)(=O)=O ZINC000505661195 567589895 /nfs/dbraw/zinc/58/98/95/567589895.db2.gz NLTSQSFXMKNPKS-AWEZNQCLSA-N 0 0 382.894 3.249 20 30 GGEDRN N#C[C@H](NC(=O)CCn1cc(Br)ccc1=O)c1ccccc1Cl ZINC000505661221 567589950 /nfs/dbraw/zinc/58/99/50/567589950.db2.gz NNWWPFBSMQDNRS-AWEZNQCLSA-N 0 0 394.656 3.035 20 30 GGEDRN CC[C@](C)(C#N)C(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000552432960 567590250 /nfs/dbraw/zinc/59/02/50/567590250.db2.gz LMWJSOGIAHROAK-MAUKXSAKSA-N 0 0 392.297 3.309 20 30 GGEDRN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000571810437 567590507 /nfs/dbraw/zinc/59/05/07/567590507.db2.gz LBMLTRYDSXCGRQ-XHDPSFHLSA-N 0 0 378.263 3.336 20 30 GGEDRN COc1cccc(C2(CNS(=O)(=O)c3ccc(C#N)cc3Cl)CC2)c1 ZINC000571807190 567590754 /nfs/dbraw/zinc/59/07/54/567590754.db2.gz RYFWAVXLGPGHQU-UHFFFAOYSA-N 0 0 376.865 3.230 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000552456873 567591490 /nfs/dbraw/zinc/59/14/90/567591490.db2.gz VGRMRMAEEVABCI-VIFPVBQESA-N 0 0 383.823 3.166 20 30 GGEDRN COc1ccc(NC(=O)C(=O)Nc2cccc(C#N)c2C)cc1Br ZINC000439553462 567592808 /nfs/dbraw/zinc/59/28/08/567592808.db2.gz UIXKGXYQKIECHI-UHFFFAOYSA-N 0 0 388.221 3.215 20 30 GGEDRN C=CC(C)(C)CNC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000458993445 567592852 /nfs/dbraw/zinc/59/28/52/567592852.db2.gz XJFVZAGUJJWQLD-ZDUSSCGKSA-N 0 0 399.329 3.120 20 30 GGEDRN CCS(=O)(=O)c1ccc(CC(=O)N[C@@H](C#N)c2ccccc2Cl)cc1 ZINC000505699733 567593226 /nfs/dbraw/zinc/59/32/26/567593226.db2.gz KMKZNKAZLUGQQU-KRWDZBQOSA-N 0 0 376.865 3.057 20 30 GGEDRN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000530335770 567593460 /nfs/dbraw/zinc/59/34/60/567593460.db2.gz TVBOFWIIDPTPDU-JSGCOSHPSA-N 0 0 382.291 3.397 20 30 GGEDRN C=C(C)CCNC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000459015742 567593920 /nfs/dbraw/zinc/59/39/20/567593920.db2.gz LRMKVIABTUKYNJ-UHFFFAOYSA-N 0 0 395.301 3.170 20 30 GGEDRN N#CC[C@@H]1CC[C@H](NC(=O)N(CCO)Cc2cccc(Br)c2)C1 ZINC000459007916 567594366 /nfs/dbraw/zinc/59/43/66/567594366.db2.gz KOZOWMLVPBXXFN-BBRMVZONSA-N 0 0 380.286 3.035 20 30 GGEDRN FC(F)C(F)(F)COCc1noc(C[C@@H](n2cccn2)C(F)(F)F)n1 ZINC000664859452 567595159 /nfs/dbraw/zinc/59/51/59/567595159.db2.gz QDIDQCDKHDNJQZ-SSDOTTSWSA-N 0 0 376.232 3.029 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1NC(=O)NCc1c(F)c(F)c(Br)c(F)c1F ZINC000644961687 567595541 /nfs/dbraw/zinc/59/55/41/567595541.db2.gz OFPNVKUPZYFYRN-SFYZADRCSA-N 0 0 397.166 3.148 20 30 GGEDRN Cc1c(Cl)cnc(N(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)c1C#N ZINC000480314810 567595770 /nfs/dbraw/zinc/59/57/70/567595770.db2.gz ONDKEYBORRJGPE-STQMWFEESA-N 0 0 379.892 3.420 20 30 GGEDRN C[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)c2cccc(Cl)c2O1 ZINC000571869388 567595806 /nfs/dbraw/zinc/59/58/06/567595806.db2.gz GGYHPLNQVKYXQG-ZDUSSCGKSA-N 0 0 376.865 3.273 20 30 GGEDRN COCCO[C@H]1CCN(c2c(C#N)cnc3c(Br)c(C)ccc32)C1 ZINC000480328130 567597064 /nfs/dbraw/zinc/59/70/64/567597064.db2.gz DQYGIVTYERWNDW-AWEZNQCLSA-N 0 0 390.281 3.419 20 30 GGEDRN C=CCN(CCOc1ccc(C#N)cc1)S(=O)(=O)c1cccc(Cl)c1 ZINC000596008581 567597761 /nfs/dbraw/zinc/59/77/61/567597761.db2.gz JDEWZURLAXCGPB-UHFFFAOYSA-N 0 0 376.865 3.467 20 30 GGEDRN Cc1ccc(Br)cc1S(=O)(=O)NCCc1cccc(C#N)c1 ZINC000571935155 567599431 /nfs/dbraw/zinc/59/94/31/567599431.db2.gz NORGBFQDHJHXME-UHFFFAOYSA-N 0 0 379.279 3.150 20 30 GGEDRN CNS(=O)(=O)c1ccc(CNc2ccccc2SC[C@@H](C)C#N)cc1 ZINC000596031415 567600478 /nfs/dbraw/zinc/60/04/78/567600478.db2.gz WOPPKRBVJPFTDW-AWEZNQCLSA-N 0 0 375.519 3.459 20 30 GGEDRN Cc1cc(N2CCC[C@@H](NC[C@H](C#N)CCC#N)C2=O)ccc1Br ZINC000571937753 567600482 /nfs/dbraw/zinc/60/04/82/567600482.db2.gz CVTSSFXHSVMKBB-WMLDXEAASA-N 0 0 389.297 3.286 20 30 GGEDRN COc1ncc(Br)cc1CS(=O)(=O)CCCCC(C)(C)C#N ZINC000596039447 567601828 /nfs/dbraw/zinc/60/18/28/567601828.db2.gz XEZKCDHFUMBCMK-UHFFFAOYSA-N 0 0 389.315 3.488 20 30 GGEDRN N#Cc1cc(F)c(NCc2cccnc2N2CCOCC2)cc1Br ZINC000571958367 567602335 /nfs/dbraw/zinc/60/23/35/567602335.db2.gz KRBPBFNXGVKMPW-UHFFFAOYSA-N 0 0 391.244 3.304 20 30 GGEDRN N#Cc1cc(Br)cc(S(=O)(=O)N2CCOCc3ccccc32)c1 ZINC000480415212 567602671 /nfs/dbraw/zinc/60/26/71/567602671.db2.gz ITAGGAYFSHKXFT-UHFFFAOYSA-N 0 0 393.262 3.046 20 30 GGEDRN C=CC[C@@H](CC)NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000439790244 567603012 /nfs/dbraw/zinc/60/30/12/567603012.db2.gz HQLKFNYBJLGRAL-GFCCVEGCSA-N 0 0 383.290 3.157 20 30 GGEDRN C=CCOC[C@@H]1NC(=O)N([C@@H](c2cc(F)cc(Br)c2)C2CC2)C1=O ZINC000552726033 567604764 /nfs/dbraw/zinc/60/47/64/567604764.db2.gz QMQAHMGFINERAU-LSDHHAIUSA-N 0 0 397.244 3.162 20 30 GGEDRN C=CCOC[C@H]1NC(=O)N([C@H](c2cc(F)cc(Br)c2)C2CC2)C1=O ZINC000552726030 567604803 /nfs/dbraw/zinc/60/48/03/567604803.db2.gz QMQAHMGFINERAU-CABCVRRESA-N 0 0 397.244 3.162 20 30 GGEDRN Cc1ccc2c(ncc(C#N)c2NC[C@H](C)S(C)(=O)=O)c1Br ZINC000530475927 567605034 /nfs/dbraw/zinc/60/50/34/567605034.db2.gz CDRFLPSOHMIGLO-JTQLQIEISA-N 0 0 382.283 3.022 20 30 GGEDRN Cc1nc(OCc2nn(C)cc2Br)c(Br)cc1C#N ZINC000596284986 567619502 /nfs/dbraw/zinc/61/95/02/567619502.db2.gz DWFNOXSBMKTKRG-UHFFFAOYSA-N 0 0 386.047 3.099 20 30 GGEDRN CN(C)S(=O)(=O)c1ccccc1NCCSCc1ccccc1C#N ZINC000596059119 567605584 /nfs/dbraw/zinc/60/55/84/567605584.db2.gz MVZXZBQYWSGURK-UHFFFAOYSA-N 0 0 375.519 3.154 20 30 GGEDRN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)c1nc(C#N)c(Cl)s1 ZINC000596048721 567605603 /nfs/dbraw/zinc/60/56/03/567605603.db2.gz CLKIMMHAGPHGRK-UHFFFAOYSA-N 0 0 377.857 3.092 20 30 GGEDRN CCOC(=O)c1cc2cc(S(=O)(=O)N(CC)C[C@H](C)C#N)ccc2s1 ZINC000480462525 567605721 /nfs/dbraw/zinc/60/57/21/567605721.db2.gz QWKJUMYZMVSMGD-GFCCVEGCSA-N 0 0 380.491 3.248 20 30 GGEDRN COC(=O)c1cc(S(=O)(=O)N(c2ccc(C#N)cc2)C2CCC2)cs1 ZINC000596050871 567605766 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397.747 3.416 20 30 GGEDRN N#Cc1ccc(NC(=O)NCc2n[nH]cc2Br)cc1Br ZINC000554519659 567733006 /nfs/dbraw/zinc/73/30/06/567733006.db2.gz FURBFNNOMFYJDZ-UHFFFAOYSA-N 0 0 399.046 3.128 20 30 GGEDRN O=C(NCCF)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000646635115 567733331 /nfs/dbraw/zinc/73/33/31/567733331.db2.gz WYFDGKMTUSPUTI-UHFFFAOYSA-N 0 0 378.219 3.000 20 30 GGEDRN C=CCn1c(=O)c2c3c(sc2nc1SCC1N=NC(=O)S1)CCCC3 ZINC000554520510 567733698 /nfs/dbraw/zinc/73/36/98/567733698.db2.gz YCVGENPYEQKHAV-UHFFFAOYSA-N 0 0 392.531 3.372 20 30 GGEDRN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000443115497 567733979 /nfs/dbraw/zinc/73/39/79/567733979.db2.gz YLBDCPRLPVRIMG-PIGZYNQJSA-N 0 0 382.844 3.405 20 30 GGEDRN C=CCC[C@@H](NC(=O)[C@@H]1CCCS1(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000573740596 567733976 /nfs/dbraw/zinc/73/39/76/567733976.db2.gz JRXWFUCUJHTAOV-CABCVRRESA-N 0 0 375.412 3.406 20 30 GGEDRN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000443115491 567734270 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N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccccn2)cc1Br ZINC000554569335 567736999 /nfs/dbraw/zinc/73/69/99/567736999.db2.gz QCTOPMZBMULLPA-INIZCTEOSA-N 0 0 399.248 3.018 20 30 GGEDRN N#CC1(CCC[S@](=O)Cc2ncc(Br)s2)CCOCC1 ZINC000554622127 567738231 /nfs/dbraw/zinc/73/82/31/567738231.db2.gz NTCLAZFKLPFIGW-FQEVSTJZSA-N 0 0 377.329 3.255 20 30 GGEDRN CS(=O)(=O)c1cc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cs1 ZINC000508247117 567739133 /nfs/dbraw/zinc/73/91/33/567739133.db2.gz JTAWOBXHPOAGJI-UHFFFAOYSA-N 0 0 390.364 3.174 20 30 GGEDRN C[C@H](C#N)N(C(=O)CCCOc1ccc(I)cc1)C1CC1 ZINC000598129091 567740416 /nfs/dbraw/zinc/74/04/16/567740416.db2.gz FZFHQYIHMCSNIZ-GFCCVEGCSA-N 0 0 398.244 3.353 20 30 GGEDRN C[C@@H](C#N)N(C(=O)CCC[S@](=O)c1ccc(Br)cc1)C1CC1 ZINC000598128334 567740624 /nfs/dbraw/zinc/74/06/24/567740624.db2.gz ILKSHLOABAILAX-YTEVENLXSA-N 0 0 383.311 3.240 20 30 GGEDRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N([C@@H](C)C#N)C1CC1 ZINC000598128658 567740917 /nfs/dbraw/zinc/74/09/17/567740917.db2.gz 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377.229 3.272 20 30 GGEDRN C[C@H](CNC(=O)c1ccc(C#N)c(O)c1)Oc1cccc(Br)c1 ZINC000443292477 567746116 /nfs/dbraw/zinc/74/61/16/567746116.db2.gz HMHZURCPPVSPCS-LLVKDONJSA-N 0 0 375.222 3.224 20 30 GGEDRN N#Cc1cccc(CC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)c1 ZINC000598195126 567746171 /nfs/dbraw/zinc/74/61/71/567746171.db2.gz VFFVRYQIRITGEZ-GOSISDBHSA-N 0 0 385.261 3.463 20 30 GGEDRN C[C@@H](CNC(=O)c1ccc(C#N)c(O)c1)Oc1cccc(Br)c1 ZINC000443292478 567746221 /nfs/dbraw/zinc/74/62/21/567746221.db2.gz HMHZURCPPVSPCS-NSHDSACASA-N 0 0 375.222 3.224 20 30 GGEDRN Cc1cc2c(o1)c(C(=O)NCC1CCN(CC#N)CC1)ccc2Br ZINC000443287435 567746686 /nfs/dbraw/zinc/74/66/86/567746686.db2.gz XBHFNSNZSGSYEO-UHFFFAOYSA-N 0 0 390.281 3.469 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H]2c2ccc(Cl)cc2)nc1 ZINC000554743648 567746788 /nfs/dbraw/zinc/74/67/88/567746788.db2.gz ZFKSANGEPVJZQJ-QGZVFWFLSA-N 0 0 375.881 3.217 20 30 GGEDRN COCc1csc(CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 ZINC000598208400 567746868 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N#Cc1cc(Cl)cc(Br)c1N1CCO[C@@H](Cn2cccn2)C1 ZINC000573991466 567748318 /nfs/dbraw/zinc/74/83/18/567748318.db2.gz OWANVCQHXBCVGS-CYBMUJFWSA-N 0 0 381.661 3.076 20 30 GGEDRN C=CCCCN(C)C(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000554779147 567748885 /nfs/dbraw/zinc/74/88/85/567748885.db2.gz DQMMERVTHGYSTI-ZDUSSCGKSA-N 0 0 383.311 3.137 20 30 GGEDRN N#Cc1cc(Cl)cc(Br)c1N1CCO[C@H](Cn2cccn2)C1 ZINC000573991467 567749047 /nfs/dbraw/zinc/74/90/47/567749047.db2.gz OWANVCQHXBCVGS-ZDUSSCGKSA-N 0 0 381.661 3.076 20 30 GGEDRN C=CCCCN(C)C(=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000554779146 567749064 /nfs/dbraw/zinc/74/90/64/567749064.db2.gz DQMMERVTHGYSTI-CYBMUJFWSA-N 0 0 383.311 3.137 20 30 GGEDRN CC(C)(NS(=O)(=O)c1ccccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000443343059 567749133 /nfs/dbraw/zinc/74/91/33/567749133.db2.gz LOHRQOZNWPYZDF-UHFFFAOYSA-N 0 0 375.397 3.247 20 30 GGEDRN CCO[C@H](CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C(C)C ZINC000443333346 567749867 /nfs/dbraw/zinc/74/98/67/567749867.db2.gz 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ZINC000598814751 567792368 /nfs/dbraw/zinc/79/23/68/567792368.db2.gz HQWSUDHNIWWLAP-UHFFFAOYSA-N 0 0 379.132 3.096 20 30 GGEDRN N#CC1(N(C(=O)c2cc(Br)cc3c2OCCO3)C2CC2)CCC1 ZINC000598832771 567792925 /nfs/dbraw/zinc/79/29/25/567792925.db2.gz RMPGVBQGAGPMRB-UHFFFAOYSA-N 0 0 377.238 3.271 20 30 GGEDRN CO[C@](C)(C(=O)Nc1ccc(Br)c(C#N)c1)C(=O)OC(C)(C)C ZINC000598837467 567793508 /nfs/dbraw/zinc/79/35/08/567793508.db2.gz GENATWXPIGEWOC-MRXNPFEDSA-N 0 0 383.242 3.006 20 30 GGEDRN COCC[C@](C)(C#N)NC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000598841942 567794140 /nfs/dbraw/zinc/79/41/40/567794140.db2.gz UOLSQZCDPHVFPP-MRXNPFEDSA-N 0 0 378.226 3.153 20 30 GGEDRN C[C@@]1(CNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CCCS1 ZINC000444128931 567794155 /nfs/dbraw/zinc/79/41/55/567794155.db2.gz MTLMKKUTLSTFJO-SFHVURJKSA-N 0 0 378.929 3.329 20 30 GGEDRN CSC[C@@](C)(C#N)NC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000598840489 567794435 /nfs/dbraw/zinc/79/44/35/567794435.db2.gz LSNJKHXXPCFBEI-OAHLLOKOSA-N 0 0 380.267 3.479 20 30 GGEDRN CS(=O)(=O)c1ccc(F)c(CNc2cccc(Br)c2C#N)c1 ZINC000574732614 567794710 /nfs/dbraw/zinc/79/47/10/567794710.db2.gz KOLYJQAJSXKKGR-UHFFFAOYSA-N 0 0 383.242 3.475 20 30 GGEDRN C=CCN(C(=O)c1c(F)cccc1I)[C@H](C)COC ZINC000598862196 567795428 /nfs/dbraw/zinc/79/54/28/567795428.db2.gz ANMQRXSOJNQREA-SNVBAGLBSA-N 0 0 377.197 3.093 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1sc(C(F)(F)F)cc1C(=O)OCC ZINC000574755049 567795595 /nfs/dbraw/zinc/79/55/95/567795595.db2.gz UVVGGPZGGCKJLX-ZJUUUORDSA-N 0 0 378.372 3.409 20 30 GGEDRN N#C[C@@H](NC(=O)c1cccnc1N1CCCC1)c1ccccc1Br ZINC000598879082 567797060 /nfs/dbraw/zinc/79/70/60/567797060.db2.gz MAKGMURPMHXNIS-MRXNPFEDSA-N 0 0 385.265 3.439 20 30 GGEDRN CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000598879240 567797064 /nfs/dbraw/zinc/79/70/64/567797064.db2.gz NAXGPMKOQVILSV-JKSUJKDBSA-N 0 0 392.297 3.311 20 30 GGEDRN CCN(C(=O)c1cc(Cl)c(I)cc1OC)[C@@H](C)C#N ZINC000598881820 567797290 /nfs/dbraw/zinc/79/72/90/567797290.db2.gz FYJXUOHMTRAGOK-QMMMGPOBSA-N 0 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Cc1cc(S(=O)(=O)N2CCN(CCCCC(C)(C)C#N)CC2)c(C)s1 ZINC000444643702 567809380 /nfs/dbraw/zinc/80/93/80/567809380.db2.gz CQQHUZSWYFNBDU-UHFFFAOYSA-N 0 0 383.583 3.391 20 30 GGEDRN C=C(C)[C@@H](CC(=O)NCCc1ccc(I)s1)OCC ZINC000534390301 567809930 /nfs/dbraw/zinc/80/99/30/567809930.db2.gz BOZVYWXYKXJWMS-GFCCVEGCSA-N 0 0 393.290 3.383 20 30 GGEDRN C=CC[C@H]1N(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CCCC1(C)C ZINC000444646374 567810536 /nfs/dbraw/zinc/81/05/36/567810536.db2.gz SLUHUWGZKUEUJE-GFCCVEGCSA-N 0 0 390.958 3.273 20 30 GGEDRN C=C(C)[C@@H](CC(=O)NCC(=O)Nc1ccc(Br)cc1C)OCC ZINC000534413953 567810783 /nfs/dbraw/zinc/81/07/83/567810783.db2.gz RMAMOAFUEMJCAJ-OAHLLOKOSA-N 0 0 383.286 3.184 20 30 GGEDRN Cc1cc(Br)c(F)cc1S(=O)(=O)N(CCC#N)CC1CC1 ZINC000599234326 567810919 /nfs/dbraw/zinc/81/09/19/567810919.db2.gz HVXWWXAEGMIXAQ-UHFFFAOYSA-N 0 0 375.263 3.211 20 30 GGEDRN CCC(C#N)(CC)C(=O)Nc1ncn(Cc2ccc(Br)cc2)n1 ZINC000599225658 567811026 /nfs/dbraw/zinc/81/10/26/567811026.db2.gz WRKMKUMIPFURPR-UHFFFAOYSA-N 0 0 376.258 3.357 20 30 GGEDRN N#C[C@@]1(NC(=O)c2scc(Br)c2Br)CCSC1 ZINC000599233152 567811117 /nfs/dbraw/zinc/81/11/17/567811117.db2.gz NEVULZZIBADJDD-JTQLQIEISA-N 0 0 396.129 3.402 20 30 GGEDRN C=C(C)[C@H](CC(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1)OCC ZINC000534424655 567811404 /nfs/dbraw/zinc/81/14/04/567811404.db2.gz DRQVPDHDMLZFRE-GOEBONIOSA-N 0 0 384.270 3.151 20 30 GGEDRN Cc1cc(C(=O)Nc2nc(C)c(SCC#N)s2)n(C2CCOCC2)n1 ZINC000599247254 567811606 /nfs/dbraw/zinc/81/16/06/567811606.db2.gz DTQYYHSLRORQHC-UHFFFAOYSA-N 0 0 377.495 3.176 20 30 GGEDRN C[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)COc1ccccc1C#N ZINC000599259992 567811650 /nfs/dbraw/zinc/81/16/50/567811650.db2.gz SXZNANHQUFKHTP-CYBMUJFWSA-N 0 0 381.295 3.254 20 30 GGEDRN CC1(C)CCCN(CCS(=O)(=O)c2cccc(Br)c2)[C@@H]1C#N ZINC000444723730 567811929 /nfs/dbraw/zinc/81/19/29/567811929.db2.gz AOTUXBWCYIOXRS-OAHLLOKOSA-N 0 0 385.327 3.237 20 30 GGEDRN C=CCN(C)C(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000575090579 567812427 /nfs/dbraw/zinc/81/24/27/567812427.db2.gz DIPXYHBIYAAFKD-UHFFFAOYSA-N 0 0 379.298 3.022 20 30 GGEDRN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1cc(Br)cs1 ZINC000668573868 567814392 /nfs/dbraw/zinc/81/43/92/567814392.db2.gz LKVKHXGWYFJPAO-SMDDNHRTSA-N 0 0 385.327 3.378 20 30 GGEDRN O=C(Nc1cc(F)ccc1OCC(F)(F)F)N[C@@H](CO)CC(F)(F)F ZINC000534568846 567814724 /nfs/dbraw/zinc/81/47/24/567814724.db2.gz GMEGUMWHAQQDOI-MRVPVSSYSA-N 0 0 378.244 3.202 20 30 GGEDRN O=C(Nc1cc(F)ccc1OCC(F)(F)F)N[C@H](CO)CC(F)(F)F ZINC000534568847 567814765 /nfs/dbraw/zinc/81/47/65/567814765.db2.gz GMEGUMWHAQQDOI-QMMMGPOBSA-N 0 0 378.244 3.202 20 30 GGEDRN C=CCn1cc(C(=O)N(Cc2cc(Br)ccc2F)C(C)C)nn1 ZINC000648236356 567815775 /nfs/dbraw/zinc/81/57/75/567815775.db2.gz ZIXLARRPBLDGGC-UHFFFAOYSA-N 0 0 381.249 3.417 20 30 GGEDRN C=CCn1cc(C(=O)N(C[C@H]2CCCO2)c2ccc(Br)cc2)nn1 ZINC000648254686 567816186 /nfs/dbraw/zinc/81/61/86/567816186.db2.gz PQBVRLLRGACNAH-OAHLLOKOSA-N 0 0 391.269 3.052 20 30 GGEDRN C=CCn1cc(C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)nn1 ZINC000648252343 567816203 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N#Cc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccccn2)ccc1Cl ZINC000048365165 570245579 /nfs/dbraw/zinc/24/55/79/570245579.db2.gz BBKRYQVUIHNTPG-IBGZPJMESA-N 0 0 390.830 3.451 20 30 GGEDRN N#C[C@H](C(=O)COC1CCCCC1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000048817855 570254863 /nfs/dbraw/zinc/25/48/63/570254863.db2.gz SXGRFTAHNCQUPJ-CQSZACIVSA-N 0 0 385.489 3.389 20 30 GGEDRN COc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)n[nH]2)cc1 ZINC000006141673 570276813 /nfs/dbraw/zinc/27/68/13/570276813.db2.gz UWOVKWJZBWHREO-LBPRGKRZSA-N 0 0 379.445 3.471 20 30 GGEDRN N#Cc1cccc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000024770539 570292018 /nfs/dbraw/zinc/29/20/18/570292018.db2.gz NLECXQJVNHFPDK-UHFFFAOYSA-N 0 0 393.277 3.281 20 30 GGEDRN COC(=O)[C@H](c1ccccc1Cl)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000024825618 570304799 /nfs/dbraw/zinc/30/47/99/570304799.db2.gz TZCWGAKSJXWOPS-FQEVSTJZSA-N 0 0 383.879 3.244 20 30 GGEDRN C=CCc1ccc(OCC(=O)NC2(c3noc(C)n3)CCCCC2)c(OC)c1 ZINC000028617230 570309819 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GGEDRN O=C(OCC#Cc1ccc(OC(F)(F)F)cc1)c1cc(-c2nn[nH]n2)cs1 ZINC000823397515 607353257 /nfs/dbraw/zinc/35/32/57/607353257.db2.gz WSLVAWRGDHHDGH-UHFFFAOYSA-N 0 0 394.334 3.035 20 30 GGEDRN Cc1c(C(=O)C=Cc2cnc(-c3ccccc3)nc2)c(-c2nn[nH]n2)c2n1CCC2 ZINC000737202563 598378452 /nfs/dbraw/zinc/37/84/52/598378452.db2.gz NNSQSWXWNUJGPX-KTKRTIGZSA-N 0 0 397.442 3.276 20 30 GGEDRN Cc1c(C(=O)C=Cc2ccc(OC(F)F)cc2)c(-c2nn[nH]n2)c2n1CCC2 ZINC000737204269 598379118 /nfs/dbraw/zinc/37/91/18/598379118.db2.gz YSIDTKGFFKOCSK-TWGQIWQCSA-N 0 0 385.374 3.420 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000735418592 598392133 /nfs/dbraw/zinc/39/21/33/598392133.db2.gz HKDYIWLVFHZNHG-IBGZPJMESA-N 0 0 392.438 3.391 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC000736513554 598400147 /nfs/dbraw/zinc/40/01/47/598400147.db2.gz QETBDZDNWQPFJY-ZDUSSCGKSA-N 0 0 394.410 3.420 20 30 GGEDRN CCC[C@H](C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC000736415621 598401842 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C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000735507046 598513965 /nfs/dbraw/zinc/51/39/65/598513965.db2.gz ZBNFQRKEYDSAFQ-ZDUSSCGKSA-N 0 0 393.476 3.440 20 30 GGEDRN C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000736115915 598561666 /nfs/dbraw/zinc/56/16/66/598561666.db2.gz KZTJDCLSCFSMMV-JTQLQIEISA-N 0 0 399.361 3.222 20 30 GGEDRN N#CCCCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000737687616 598565538 /nfs/dbraw/zinc/56/55/38/598565538.db2.gz KQWDVUVMGDFARG-UHFFFAOYSA-N 0 0 377.408 3.474 20 30 GGEDRN C=CCn1c(C)cc(C(=O)Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)c1C ZINC000735443426 598567374 /nfs/dbraw/zinc/56/73/74/598567374.db2.gz VAZFVFOVGUTPAY-UHFFFAOYSA-N 0 0 387.447 3.217 20 30 GGEDRN N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000737674278 598589951 /nfs/dbraw/zinc/58/99/51/598589951.db2.gz IGSAFKAFSMRBKP-HLRDLLSLSA-N 0 0 398.348 3.280 20 30 GGEDRN CCCCCCC[C@@H](C)CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736447719 598638725 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C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cnn(-c2ccccc2C)c1 ZINC000735421389 598753464 /nfs/dbraw/zinc/75/34/64/598753464.db2.gz XYRAUNOBRYLQAE-UHFFFAOYSA-N 0 0 399.458 3.189 20 30 GGEDRN N#Cc1cc(F)c(N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c(F)c1 ZINC000737703710 598755958 /nfs/dbraw/zinc/75/59/58/598755958.db2.gz DZDMCXWOHBWXJL-UHFFFAOYSA-N 0 0 382.374 3.064 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000735420747 598783470 /nfs/dbraw/zinc/78/34/70/598783470.db2.gz RWTMIOXNNDWRFZ-AWEZNQCLSA-N 0 0 378.436 3.031 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H](CC)Nc1ccccc1 ZINC000735418919 598811300 /nfs/dbraw/zinc/81/13/00/598811300.db2.gz LRHOFAKQDJDCRM-LJQANCHMSA-N 0 0 376.464 3.272 20 30 GGEDRN S=C(NN=Cc1ccc(-c2nn[nH]n2)o1)Nc1ccc(Cl)c(Cl)c1 ZINC000823731893 599333267 /nfs/dbraw/zinc/33/32/67/599333267.db2.gz HFCHPUIBFZECBB-UHFFFAOYSA-N 0 0 382.236 3.087 20 30 GGEDRN FC(F)(F)c1cc(NN=Cc2cc(-c3cccnc3)n[nH]2)ccc1-c1nn[nH]n1 ZINC000822724066 599339659 /nfs/dbraw/zinc/33/96/59/599339659.db2.gz XYZCJIAQBWZPOT-UHFFFAOYSA-N 0 0 399.340 3.117 20 30 GGEDRN c1nc2ccc(-c3nn[nH]n3)cn2c1CN=Nc1nc(-c2ccccc2)cs1 ZINC000735399193 599457636 /nfs/dbraw/zinc/45/76/36/599457636.db2.gz JHGIFGWPRXDMDZ-UHFFFAOYSA-N 0 0 387.432 3.084 20 30 GGEDRN COc1cc(C(=O)C=Cc2cnc3ccc(-c4nn[nH]n4)cn23)ccc1SC ZINC000737034951 599462718 /nfs/dbraw/zinc/46/27/18/599462718.db2.gz NOLAYHMBEGZEHE-WAYWQWQTSA-N 0 0 392.444 3.141 20 30 GGEDRN Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737467413 599464016 /nfs/dbraw/zinc/46/40/16/599464016.db2.gz DNCQQBMGILHQEB-VOTSOKGWSA-N 0 0 393.476 3.473 20 30 GGEDRN C=CCCCN(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)nc1 ZINC000735412801 599497847 /nfs/dbraw/zinc/49/78/47/599497847.db2.gz LBIHQHWDKGUAJR-UHFFFAOYSA-N 0 0 379.424 3.484 20 30 GGEDRN CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000820315781 599533528 /nfs/dbraw/zinc/53/35/28/599533528.db2.gz PJFIWAZRRAMLOX-AUUYWEPGSA-N 0 0 390.447 3.019 20 30 GGEDRN C=CCN(Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)Cc1ccccc1F ZINC000819745597 599565908 /nfs/dbraw/zinc/56/59/08/599565908.db2.gz LLJVKHIHTZPJRK-UHFFFAOYSA-N 0 0 391.410 3.244 20 30 GGEDRN CC(=NN=Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)c1cnccn1 ZINC000819773522 599663724 /nfs/dbraw/zinc/66/37/24/599663724.db2.gz SQVGLJCXAILHHB-UHFFFAOYSA-N 0 0 398.430 3.079 20 30 GGEDRN N#Cc1c2c(sc1NC(=O)CC[N@H+]1[C@@H]3CCCC[C@@H]3C[C@H]1C(=O)[O-])CCC2 ZINC000739093637 599713090 /nfs/dbraw/zinc/71/30/90/599713090.db2.gz RRVTWFINLAEUSA-WQVCFCJDSA-N 0 0 387.505 3.155 20 30 GGEDRN N#Cc1c(NC(=O)CC[NH2+][C@@H](C(=O)[O-])c2ccccc2)sc2c1CCCC2 ZINC000739092735 599759317 /nfs/dbraw/zinc/75/93/17/599759317.db2.gz ITXCMQKEHIMTSQ-GOSISDBHSA-N 0 0 383.473 3.243 20 30 GGEDRN N#Cc1c(NC(=O)CC[NH2+][C@H](C(=O)[O-])c2ccccc2)sc2c1CCCC2 ZINC000739092738 599759472 /nfs/dbraw/zinc/75/94/72/599759472.db2.gz ITXCMQKEHIMTSQ-SFHVURJKSA-N 0 0 383.473 3.243 20 30 GGEDRN N#Cc1ccc(OCC[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000739128664 599790508 /nfs/dbraw/zinc/79/05/08/599790508.db2.gz GDVQGUBDMGZLDG-INIZCTEOSA-N 0 0 375.222 3.115 20 30 GGEDRN N#Cc1ccccc1OCC[NH2+][C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000739146660 599790698 /nfs/dbraw/zinc/79/06/98/599790698.db2.gz KHZLOTYMCKYMGP-INIZCTEOSA-N 0 0 375.222 3.115 20 30 GGEDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F ZINC000826243648 607399325 /nfs/dbraw/zinc/39/93/25/607399325.db2.gz PNPDXYOZNODVPQ-ZDUSSCGKSA-N 0 0 393.357 3.410 20 30 GGEDRN C[C@@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1cc(C(=O)[O-])co1)[n+]1ccccc1 ZINC000736786494 599854472 /nfs/dbraw/zinc/85/44/72/599854472.db2.gz VPKIWRXKZUXHBW-HIFRSBDPSA-O 0 0 387.481 3.372 20 30 GGEDRN CCCNC(=S)C(C(=O)c1cc(C(=O)[O-])co1)[n+]1ccc2c(c1)CCCC2 ZINC000737030407 599854555 /nfs/dbraw/zinc/85/45/55/599854555.db2.gz WAEFGWQXHMKOHH-UHFFFAOYSA-O 0 0 387.481 3.083 20 30 GGEDRN CCNC(=S)C(C(=O)c1cc(C(=O)[O-])co1)[n+]1ccc(C(C)(C)C)cc1 ZINC000737121876 599854582 /nfs/dbraw/zinc/85/45/82/599854582.db2.gz BVNRGAILARLPDO-UHFFFAOYSA-O 0 0 375.470 3.111 20 30 GGEDRN CCC(CC)c1cc[n+](C(C(=O)c2cc(C(=O)[O-])co2)C(=S)NC)cc1 ZINC000736905514 599854617 /nfs/dbraw/zinc/85/46/17/599854617.db2.gz SUSKRAZJDNBWMD-UHFFFAOYSA-O 0 0 375.470 3.327 20 30 GGEDRN Cc1cc[n+](C(C(=O)c2cc(C(=O)[O-])co2)C(=S)NC2CCCCC2)cc1 ZINC000738487255 599854871 /nfs/dbraw/zinc/85/48/71/599854871.db2.gz VLRFQNOGOOXBAI-UHFFFAOYSA-O 0 0 387.481 3.435 20 30 GGEDRN O=C([O-])c1coc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2ccccc2)c1 ZINC000740259246 599855510 /nfs/dbraw/zinc/85/55/10/599855510.db2.gz WVVRNBHQXOVYJL-UHFFFAOYSA-O 0 0 385.396 3.455 20 30 GGEDRN N#CCOc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000739086594 599928561 /nfs/dbraw/zinc/92/85/61/599928561.db2.gz BEJDQHPCWDMAEO-INIZCTEOSA-N 0 0 375.222 3.267 20 30 GGEDRN CC(C)c1ccc(NC(=S)NN=C2CC[NH+](CCCC(=O)[O-])CC2)cc1 ZINC000736515548 600003675 /nfs/dbraw/zinc/00/36/75/600003675.db2.gz QCMHHWUJTWVKHO-UHFFFAOYSA-N 0 0 376.526 3.413 20 30 GGEDRN CC(C)c1ccccc1NC(=S)NN=C1CC[NH+](CCCC(=O)[O-])CC1 ZINC000736523448 600005842 /nfs/dbraw/zinc/00/58/42/600005842.db2.gz QGBHRBYDFXQKBT-UHFFFAOYSA-N 0 0 376.526 3.413 20 30 GGEDRN CC(C)Oc1ccc(NC(=S)NN=C2CC[NH+](CCCC(=O)[O-])CC2)cc1 ZINC000736493727 600055658 /nfs/dbraw/zinc/05/56/58/600055658.db2.gz BVLXIPAXGGXVFS-UHFFFAOYSA-N 0 0 392.525 3.077 20 30 GGEDRN N#Cc1c(NC(=O)CC[NH2+]C2(C(=O)[O-])CCCCC2)sc2c1CCCC2 ZINC000739091739 600148358 /nfs/dbraw/zinc/14/83/58/600148358.db2.gz AGKIPEYTRBBZQR-UHFFFAOYSA-N 0 0 375.494 3.204 20 30 GGEDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000826250961 607428787 /nfs/dbraw/zinc/42/87/87/607428787.db2.gz ASXHTFKKGFRHIL-JTQLQIEISA-N 0 0 378.461 3.485 20 30 GGEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000738364603 600295383 /nfs/dbraw/zinc/29/53/83/600295383.db2.gz XLSLCNCAKXZWQJ-MJGOQNOKSA-N 0 0 383.492 3.125 20 30 GGEDRN CN(C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1)c1ccc(C#N)cc1 ZINC000825830202 607437429 /nfs/dbraw/zinc/43/74/29/607437429.db2.gz OBVVZEWFYGRGOG-UHFFFAOYSA-N 0 0 397.398 3.202 20 30 GGEDRN Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](CCC(=O)[O-])C(C)C)c1C#N ZINC000738252544 600395245 /nfs/dbraw/zinc/39/52/45/600395245.db2.gz DZBYTNOQPCDGQE-UHFFFAOYSA-N 0 0 396.491 3.149 20 30 GGEDRN O=C([O-])CCC[NH+]1CCC(N=Nc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000739672521 600532661 /nfs/dbraw/zinc/53/26/61/600532661.db2.gz LUVQQCMNZMMVDK-UHFFFAOYSA-N 0 0 377.832 3.119 20 30 GGEDRN COc1ccc(Cl)cc1CN1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000738014695 600563584 /nfs/dbraw/zinc/56/35/84/600563584.db2.gz XLXMSTJDXKTCRX-HXUWFJFHSA-N 0 0 399.878 3.164 20 30 GGEDRN N#Cc1ccc([C@H](C(=O)[O-])N2CC[NH+](Cc3cccc4cccnc43)CC2)cc1 ZINC000739107595 600564798 /nfs/dbraw/zinc/56/47/98/600564798.db2.gz YBXOTCFQETYSNE-JOCHJYFZSA-N 0 0 386.455 3.050 20 30 GGEDRN N#Cc1ccc([C@H](C(=O)[O-])[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000739103396 600565424 /nfs/dbraw/zinc/56/54/24/600565424.db2.gz AQXOFTDAFAUOJV-MAUKXSAKSA-N 0 0 398.850 3.083 20 30 GGEDRN N#Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000739106483 600565563 /nfs/dbraw/zinc/56/55/63/600565563.db2.gz SKJKFLFCAWNZFA-IBGZPJMESA-N 0 0 396.422 3.109 20 30 GGEDRN COc1cccc(OC)c1OC1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000738109522 600565566 /nfs/dbraw/zinc/56/55/66/600565566.db2.gz RVRREXOMRLKQLW-FQEVSTJZSA-N 0 0 396.443 3.245 20 30 GGEDRN N#Cc1ccc([C@H](C(=O)[O-])[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC000739103530 600567831 /nfs/dbraw/zinc/56/78/31/600567831.db2.gz BHYMHNBTUOMEGW-LJQANCHMSA-N 0 0 387.443 3.349 20 30 GGEDRN COc1cccc([C@H](C)N2CC[NH+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000738089278 600568965 /nfs/dbraw/zinc/56/89/65/600568965.db2.gz CYVJHOVYMFVNAJ-HRAATJIYSA-N 0 0 379.460 3.071 20 30 GGEDRN COc1cccc([C@@H](C)N2CC[NH+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000738089290 600569172 /nfs/dbraw/zinc/56/91/72/600569172.db2.gz CYVJHOVYMFVNAJ-IIBYNOLFSA-N 0 0 379.460 3.071 20 30 GGEDRN N#Cc1ccc([C@H](C(=O)[O-])[NH+]2CCC(CN3CCc4ccccc43)CC2)cc1 ZINC000739105836 600571448 /nfs/dbraw/zinc/57/14/48/600571448.db2.gz OFNCFJNNKCJDBU-JOCHJYFZSA-N 0 0 375.472 3.459 20 30 GGEDRN COc1ccc([C@@H](C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000737958490 600590547 /nfs/dbraw/zinc/59/05/47/600590547.db2.gz ZTJUYSKQQMSUOG-RTWAWAEBSA-N 0 0 379.460 3.119 20 30 GGEDRN CCOc1ccc(C2(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000737195928 600595546 /nfs/dbraw/zinc/59/55/46/600595546.db2.gz ZTFQZNUYFNRSFD-NRFANRHFSA-N 0 0 394.471 3.421 20 30 GGEDRN N#Cc1ccc([C@@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)C(=O)[O-])cc1 ZINC000739108189 600597209 /nfs/dbraw/zinc/59/72/09/600597209.db2.gz ULNIJVBXQJDVFL-HXUWFJFHSA-N 0 0 386.411 3.121 20 30 GGEDRN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1Br ZINC000738008452 600597559 /nfs/dbraw/zinc/59/75/59/600597559.db2.gz KJBFMWYUTDDABB-MRXNPFEDSA-N 0 0 375.222 3.245 20 30 GGEDRN COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000738013798 600597573 /nfs/dbraw/zinc/59/75/73/600597573.db2.gz MFWUDTDFHUBSOS-VQIMIIECSA-N 0 0 385.851 3.214 20 30 GGEDRN COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000738013796 600597582 /nfs/dbraw/zinc/59/75/82/600597582.db2.gz MFWUDTDFHUBSOS-LPHOPBHVSA-N 0 0 385.851 3.214 20 30 GGEDRN N#Cc1ccc([C@@H]([NH2+]CCc2ccc(Br)cc2F)C(=O)[O-])cc1 ZINC000739108237 600599037 /nfs/dbraw/zinc/59/90/37/600599037.db2.gz UUFQLGYDOKIJRM-MRXNPFEDSA-N 0 0 377.213 3.418 20 30 GGEDRN CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2NC1=O ZINC000829170578 600695097 /nfs/dbraw/zinc/69/50/97/600695097.db2.gz WHECUXKBIHLMDN-LWLIDHTLSA-N 0 0 379.416 3.144 20 30 GGEDRN N#Cc1ccc([C@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)C(=O)[O-])cc1 ZINC000833071919 600754293 /nfs/dbraw/zinc/75/42/93/600754293.db2.gz JTNADQBYCOOIFH-AWEZNQCLSA-N 0 0 399.756 3.420 20 30 GGEDRN C=C(Cl)CN(Cc1ccc(-c2nn[nH]n2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000823883024 607469140 /nfs/dbraw/zinc/46/91/40/607469140.db2.gz IUQQPXAWYJQZJM-UHFFFAOYSA-N 0 0 381.827 3.208 20 30 GGEDRN N#Cc1ccc([C@H](OC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000739112284 600803840 /nfs/dbraw/zinc/80/38/40/600803840.db2.gz YUTKGOHPTCGQMJ-PMACEKPBSA-N 0 0 378.428 3.139 20 30 GGEDRN N#Cc1ccc([C@H](OC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000739112286 600804137 /nfs/dbraw/zinc/80/41/37/600804137.db2.gz YUTKGOHPTCGQMJ-UXHICEINSA-N 0 0 378.428 3.139 20 30 GGEDRN C[C@H](C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1)C(=O)[O-] ZINC000827454880 600823269 /nfs/dbraw/zinc/82/32/69/600823269.db2.gz HRDIHEYVGVOLGR-OAHLLOKOSA-N 0 0 376.416 3.331 20 30 GGEDRN C[N@H+](Cc1cc2c(cc1OC(F)F)OCO2)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737452033 600965991 /nfs/dbraw/zinc/96/59/91/600965991.db2.gz WCXWGQMNDDYYPC-QGZVFWFLSA-N 0 0 390.342 3.146 20 30 GGEDRN C[N@H+](Cc1cc2c(cc1OC(F)F)OCO2)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737452032 600966420 /nfs/dbraw/zinc/96/64/20/600966420.db2.gz WCXWGQMNDDYYPC-KRWDZBQOSA-N 0 0 390.342 3.146 20 30 GGEDRN COc1cc(C[NH2+][C@@](C)(C(=O)[O-])C2CC2)ccc1OCc1cccc(C#N)c1 ZINC000831999914 601032942 /nfs/dbraw/zinc/03/29/42/601032942.db2.gz COZTUMQVYKEFMW-JOCHJYFZSA-N 0 0 380.444 3.489 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1 ZINC000827217292 601132548 /nfs/dbraw/zinc/13/25/48/601132548.db2.gz BCNAWBMZMUHIHD-GJZGRUSLSA-N 0 0 390.509 3.094 20 30 GGEDRN COc1ccc([C@@H](C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)N2CCCC2)cc1 ZINC000832241746 601297594 /nfs/dbraw/zinc/29/75/94/601297594.db2.gz YIPFGISSWUOYFH-RTWAWAEBSA-N 0 0 379.460 3.119 20 30 GGEDRN C[C@H]([NH2+][C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000827717072 601300453 /nfs/dbraw/zinc/30/04/53/601300453.db2.gz DFMRNQLYXODYBB-ORAYPTAESA-N 0 0 378.432 3.319 20 30 GGEDRN CCOc1cc(C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC(F)F ZINC000830045179 601301665 /nfs/dbraw/zinc/30/16/65/601301665.db2.gz XIGWZEHVQFYFSG-KRWDZBQOSA-N 0 0 376.359 3.474 20 30 GGEDRN COc1ccc(Br)cc1C[NH2+][C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832152690 601303131 /nfs/dbraw/zinc/30/31/31/601303131.db2.gz KGDKGXOOGKFPJW-INIZCTEOSA-N 0 0 375.222 3.245 20 30 GGEDRN N#Cc1cccc([C@@H](Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)C(=O)[O-])c1 ZINC000833074531 601303218 /nfs/dbraw/zinc/30/32/18/601303218.db2.gz ACKGUIQJPUCRMD-JOCHJYFZSA-N 0 0 390.487 3.328 20 30 GGEDRN COc1ccc(CC[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC(F)F ZINC000832304447 601303920 /nfs/dbraw/zinc/30/39/20/601303920.db2.gz OKKZJLGOYPSOOJ-KRWDZBQOSA-N 0 0 376.359 3.126 20 30 GGEDRN COc1ccc(C(=O)C2CC[NH+]([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1 ZINC000832152622 601310542 /nfs/dbraw/zinc/31/05/42/601310542.db2.gz HWPPHQPJKRWQAV-FQEVSTJZSA-N 0 0 378.428 3.287 20 30 GGEDRN N#Cc1cccc([C@H](C(=O)[O-])[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC000833074031 601310875 /nfs/dbraw/zinc/31/08/75/601310875.db2.gz MSLWBWOMFUXDIN-LJQANCHMSA-N 0 0 376.416 3.076 20 30 GGEDRN N#Cc1cccc([C@H](C(=O)[O-])[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000833073629 601311641 /nfs/dbraw/zinc/31/16/41/601311641.db2.gz FTQLJGCSGIMKOV-GOSISDBHSA-N 0 0 398.850 3.083 20 30 GGEDRN COc1ccccc1NC(=O)C1CC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832623741 601311742 /nfs/dbraw/zinc/31/17/42/601311742.db2.gz UYGLRRKTMFQZCN-FQEVSTJZSA-N 0 0 393.443 3.043 20 30 GGEDRN N#Cc1cccc([C@@H](C(=O)[O-])[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000833074168 601312157 /nfs/dbraw/zinc/31/21/57/601312157.db2.gz QKFFQLMRPCOWHF-QAPCUYQASA-N 0 0 398.850 3.083 20 30 GGEDRN N#Cc1cccc([C@@H](C(=O)[O-])[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000833074177 601313253 /nfs/dbraw/zinc/31/32/53/601313253.db2.gz RAGBCQAFYPHZQI-IBGZPJMESA-N 0 0 397.862 3.185 20 30 GGEDRN CN(C[C@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1)C(=O)OC(C)(C)C ZINC000830718361 601313407 /nfs/dbraw/zinc/31/34/07/601313407.db2.gz QLNZDKXWTKPTNK-AEFFLSMTSA-N 0 0 387.480 3.263 20 30 GGEDRN N#Cc1cccc([C@H](C(=O)[O-])[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000833073917 601314431 /nfs/dbraw/zinc/31/44/31/601314431.db2.gz KGDLYHNVELTQTQ-LJQANCHMSA-N 0 0 381.407 3.174 20 30 GGEDRN N#Cc1cccc([C@H](C(=O)[O-])[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000833073584 601314596 /nfs/dbraw/zinc/31/45/96/601314596.db2.gz FAGFHLPARWEULV-LJQANCHMSA-N 0 0 387.443 3.349 20 30 GGEDRN C[C@H](c1ccc(F)cc1F)N1CC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000827934524 601314797 /nfs/dbraw/zinc/31/47/97/601314797.db2.gz HAFWDIJOXBITHV-VLIAUNLRSA-N 0 0 385.414 3.341 20 30 GGEDRN CN(CC1CC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1)C(=O)OC(C)(C)C ZINC000830718234 601315003 /nfs/dbraw/zinc/31/50/03/601315003.db2.gz OGYHVPXLSDFRAF-SFHVURJKSA-N 0 0 387.480 3.263 20 30 GGEDRN N#Cc1cccc([C@@H](C(=O)[O-])[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000833074112 601322275 /nfs/dbraw/zinc/32/22/75/601322275.db2.gz PBPYVINPOZNGPD-IBGZPJMESA-N 0 0 381.388 3.136 20 30 GGEDRN CC[C@](C)(CC(=O)[O-])[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000828658096 601556834 /nfs/dbraw/zinc/55/68/34/601556834.db2.gz QMNZKCAZIXVFDM-OAQYLSRUSA-N 0 0 382.464 3.137 20 30 GGEDRN COc1cc2[nH]c(CCC[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2c(OC)c1 ZINC000832034306 601560838 /nfs/dbraw/zinc/56/08/38/601560838.db2.gz SBXBLBMFAJSLDR-OAQYLSRUSA-N 0 0 393.443 3.405 20 30 GGEDRN COc1cc(NC2CC[NH+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000832026737 601598014 /nfs/dbraw/zinc/59/80/14/601598014.db2.gz RMRUOBHLVOUIIP-NRFANRHFSA-N 0 0 395.459 3.278 20 30 GGEDRN C[NH+](C)CCCN(CCC#N)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000830600314 601625108 /nfs/dbraw/zinc/62/51/08/601625108.db2.gz GXDUJURYNRTUDK-UHFFFAOYSA-N 0 0 380.514 3.443 20 30 GGEDRN CCC(CC)(CC(=O)[O-])[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000828799990 601634776 /nfs/dbraw/zinc/63/47/76/601634776.db2.gz PJDQYBBTQWISRT-UHFFFAOYSA-N 0 0 377.510 3.450 20 30 GGEDRN CCOc1cccc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)c1OC(F)F ZINC000830104681 601642962 /nfs/dbraw/zinc/64/29/62/601642962.db2.gz MHZFFUFDBRTIHT-MRXNPFEDSA-N 0 0 376.359 3.474 20 30 GGEDRN C[C@@H]1CN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C[C@@H]1[NH+](C)C ZINC000828378924 601751697 /nfs/dbraw/zinc/75/16/97/601751697.db2.gz UZKNNQDFIMGNNA-IERDGZPVSA-N 0 0 391.471 3.198 20 30 GGEDRN N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(CCC(=O)[O-])CC1)CCC2 ZINC000833067624 601845042 /nfs/dbraw/zinc/84/50/42/601845042.db2.gz FYFUCIVATDWRLJ-UHFFFAOYSA-N 0 0 375.494 3.014 20 30 GGEDRN Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)c(OC[C@@H]2CCCO2)c1 ZINC000832933413 601850973 /nfs/dbraw/zinc/85/09/73/601850973.db2.gz AYSCICXQLSENOJ-FPOVZHCZSA-N 0 0 380.444 3.340 20 30 GGEDRN Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@H]2CC(=O)[O-])ccc1Cl ZINC000832888844 601857161 /nfs/dbraw/zinc/85/71/61/601857161.db2.gz LQEMZZBLMAUWEG-HNNXBMFYSA-N 0 0 377.872 3.224 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1C ZINC000832935899 601857282 /nfs/dbraw/zinc/85/72/82/601857282.db2.gz SMJKVUXASQGKNY-SXLOBPIMSA-N 0 0 383.492 3.268 20 30 GGEDRN N#CCCN(C(=O)C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1cccc(Cl)c1 ZINC000833066024 601857762 /nfs/dbraw/zinc/85/77/62/601857762.db2.gz SOQMNWKEFIJFEO-WBAXXEDZSA-N 0 0 389.883 3.304 20 30 GGEDRN N#CCCN(C(=O)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000833066023 601858002 /nfs/dbraw/zinc/85/80/02/601858002.db2.gz SOQMNWKEFIJFEO-QGTPRVQTSA-N 0 0 389.883 3.304 20 30 GGEDRN C(=NOCc1cccnc1)c1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000823868208 607532059 /nfs/dbraw/zinc/53/20/59/607532059.db2.gz RAOZXMGTZYDSSV-UHFFFAOYSA-N 0 0 386.415 3.391 20 30 GGEDRN COc1ccc(CSCCCOc2ccc(C#N)cc2)cc1-c1nn[nH]n1 ZINC000826207887 607534237 /nfs/dbraw/zinc/53/42/37/607534237.db2.gz JISCZXVERALWGC-UHFFFAOYSA-N 0 0 381.461 3.449 20 30 GGEDRN C[C@@]1(C(=O)[O-])CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000828024860 601935676 /nfs/dbraw/zinc/93/56/76/601935676.db2.gz YXZWBGDIMOZEIU-LJQANCHMSA-N 0 0 375.494 3.014 20 30 GGEDRN Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CC#Cc1ccccc1Cl ZINC000826334959 607547835 /nfs/dbraw/zinc/54/78/35/607547835.db2.gz RDKJAGBSHLGNFD-UHFFFAOYSA-N 0 0 375.823 3.139 20 30 GGEDRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000827687368 602244443 /nfs/dbraw/zinc/24/44/43/602244443.db2.gz KWJGTAJPLZRUHY-WBAXXEDZSA-N 0 0 387.480 3.309 20 30 GGEDRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000827687644 602245083 /nfs/dbraw/zinc/24/50/83/602245083.db2.gz MQYLEMMGYGPUBM-WBAXXEDZSA-N 0 0 387.480 3.309 20 30 GGEDRN CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000824148240 607672794 /nfs/dbraw/zinc/67/27/94/607672794.db2.gz PQEDUVARMMSSMV-UHFFFAOYSA-N 0 0 390.451 3.106 20 30 GGEDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000826245981 607686521 /nfs/dbraw/zinc/68/65/21/607686521.db2.gz NWUYWEZQXDMHBH-AWEZNQCLSA-N 0 0 387.230 3.477 20 30 GGEDRN COc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1OCCCC#N ZINC000832314773 604466340 /nfs/dbraw/zinc/46/63/40/604466340.db2.gz OSXACKCHKFGWDU-LJQANCHMSA-N 0 0 380.444 3.389 20 30 GGEDRN CC(C)[NH+]1CCN(c2cccc(N[C@@H](C(=O)[O-])c3cccc(C#N)c3)c2)CC1 ZINC000833498816 604507426 /nfs/dbraw/zinc/50/74/26/604507426.db2.gz GTSSUTHYWDRXHH-OAQYLSRUSA-N 0 0 378.476 3.326 20 30 GGEDRN N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cc1 ZINC000826382787 607702825 /nfs/dbraw/zinc/70/28/25/607702825.db2.gz VBLWKIHFKCDMGP-UHFFFAOYSA-N 0 0 399.414 3.092 20 30 GGEDRN C=CCOc1c(Br)cc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])cc1OC ZINC000263399399 604651892 /nfs/dbraw/zinc/65/18/92/604651892.db2.gz HPDJEMCOCDTQHL-CQSZACIVSA-N 0 0 384.270 3.462 20 30 GGEDRN C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824498418 607707085 /nfs/dbraw/zinc/70/70/85/607707085.db2.gz GZHZDEIXEBPROS-KSSFIOAISA-N 0 0 375.436 3.272 20 30 GGEDRN C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824498350 607710175 /nfs/dbraw/zinc/71/01/75/607710175.db2.gz FLOUANALYDPYRM-KSSFIOAISA-N 0 0 375.436 3.272 20 30 GGEDRN C=C[C@H](CC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1)c1ccccc1 ZINC000833370366 604739640 /nfs/dbraw/zinc/73/96/40/604739640.db2.gz CMSLPOFRXIHYRJ-GOSISDBHSA-N 0 0 393.487 3.192 20 30 GGEDRN C#CCNC(=S)C(C(=O)c1cc(C(=O)[O-])co1)[n+]1ccc(C(CC)CC)cc1 ZINC000833365895 604742053 /nfs/dbraw/zinc/74/20/53/604742053.db2.gz WLDLFJJZXZEWJQ-UHFFFAOYSA-O 0 0 399.492 3.331 20 30 GGEDRN C[C@@H](C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1)C(=O)[O-] ZINC000827450205 604746088 /nfs/dbraw/zinc/74/60/88/604746088.db2.gz TWSPRSOHWSSFHZ-LBPRGKRZSA-N 0 0 375.494 3.012 20 30 GGEDRN C[C@H](C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1)C(=O)[O-] ZINC000827450198 604746177 /nfs/dbraw/zinc/74/61/77/604746177.db2.gz TWSPRSOHWSSFHZ-GFCCVEGCSA-N 0 0 375.494 3.012 20 30 GGEDRN COc1cc(N[C@H]2CCC[N@@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000832027260 604798494 /nfs/dbraw/zinc/79/84/94/604798494.db2.gz WZUOUOREWZNNJI-UWJYYQICSA-N 0 0 395.459 3.278 20 30 GGEDRN COc1cc(N[C@H]2CCC[N@@H+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000832027258 604798550 /nfs/dbraw/zinc/79/85/50/604798550.db2.gz WZUOUOREWZNNJI-LAUBAEHRSA-N 0 0 395.459 3.278 20 30 GGEDRN C[C@@]1([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCC[C@@H]1C(=O)[O-] ZINC000833573685 604815789 /nfs/dbraw/zinc/81/57/89/604815789.db2.gz YHIKCQJSSROGIM-FOIQADDNSA-N 0 0 389.521 3.450 20 30 GGEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826271873 607723977 /nfs/dbraw/zinc/72/39/77/607723977.db2.gz LDBUAZLHCKLFGL-UHFFFAOYSA-N 0 0 399.414 3.206 20 30 GGEDRN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833402130 604939475 /nfs/dbraw/zinc/93/94/75/604939475.db2.gz BRKCREJEULDVTD-HOTGVXAUSA-N 0 0 389.471 3.284 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2)CC1 ZINC000833436557 605018644 /nfs/dbraw/zinc/01/86/44/605018644.db2.gz KLHIPBCYFYMDPM-GOSISDBHSA-N 0 0 399.491 3.407 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC2(CC[N@H+](Cc3cccc(C(=O)[O-])c3C#N)C2)CC1 ZINC000833435953 605019698 /nfs/dbraw/zinc/01/96/98/605019698.db2.gz ADNUDCNGADLROM-UHFFFAOYSA-N 0 0 399.491 3.479 20 30 GGEDRN C[C@]1([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)CCCC[C@@H]1C(=O)[O-] ZINC000833571782 605064912 /nfs/dbraw/zinc/06/49/12/605064912.db2.gz IKBIWTBCLNRBAH-APWZRJJASA-N 0 0 377.872 3.210 20 30 GGEDRN C[C@]1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCCC[C@H]1C(=O)[O-] ZINC000833571993 605072746 /nfs/dbraw/zinc/07/27/46/605072746.db2.gz RYTUGWSFIVLQLC-YWZLYKJASA-N 0 0 389.521 3.450 20 30 GGEDRN C[C@]1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCCC[C@@H]1C(=O)[O-] ZINC000833571991 605072789 /nfs/dbraw/zinc/07/27/89/605072789.db2.gz RYTUGWSFIVLQLC-QRWLVFNGSA-N 0 0 389.521 3.450 20 30 GGEDRN C[C@@H](Oc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1)C(=O)[O-] ZINC000833543592 605120346 /nfs/dbraw/zinc/12/03/46/605120346.db2.gz ZSGULFGCICGWKC-MYWSLZCHSA-N 0 0 395.459 3.285 20 30 GGEDRN CC(C)(C(=O)[O-])[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000833413447 605180320 /nfs/dbraw/zinc/18/03/20/605180320.db2.gz NBAOURGAENSLLP-HXUWFJFHSA-N 0 0 379.460 3.375 20 30 GGEDRN CC(C)(C(=O)[O-])[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000833413445 605180487 /nfs/dbraw/zinc/18/04/87/605180487.db2.gz NBAOURGAENSLLP-FQEVSTJZSA-N 0 0 379.460 3.375 20 30 GGEDRN CC(C)C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000833478693 605224881 /nfs/dbraw/zinc/22/48/81/605224881.db2.gz UDJFVJAIFZZDIN-IIBYNOLFSA-N 0 0 393.487 3.491 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC(C)(C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000833566010 605364828 /nfs/dbraw/zinc/36/48/28/605364828.db2.gz MITZHGUJNMFSKF-KRWDZBQOSA-N 0 0 387.480 3.311 20 30 GGEDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(C(=O)[O-])c3C#N)C[C@@H]21 ZINC000833439707 605428380 /nfs/dbraw/zinc/42/83/80/605428380.db2.gz WVIYYYAIXODEAQ-ZYSHUDEJSA-N 0 0 399.491 3.382 20 30 GGEDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)C[C@H]21 ZINC000833439030 605428567 /nfs/dbraw/zinc/42/85/67/605428567.db2.gz NUPDVXFVOQCDPE-MKXGPGLRSA-N 0 0 399.491 3.309 20 30 GGEDRN CCC(CC)CN(CCC#N)CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000820892881 606112356 /nfs/dbraw/zinc/11/23/56/606112356.db2.gz GHHGSNTZFIDGDS-UHFFFAOYSA-N 0 0 389.529 3.135 20 30 GGEDRN CC(C)[C@H](C#N)OC(=O)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000820016873 606168491 /nfs/dbraw/zinc/16/84/91/606168491.db2.gz PPJIIEHJXGHFQK-SFHVURJKSA-N 0 0 377.404 3.151 20 30 GGEDRN CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821492750 606176446 /nfs/dbraw/zinc/17/64/46/606176446.db2.gz WBALQMAHYWDOHD-CYBMUJFWSA-N 0 0 394.460 3.014 20 30 GGEDRN O=C(Cc1cccc(-c2nn[nH]n2)c1)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000823109075 606192190 /nfs/dbraw/zinc/19/21/90/606192190.db2.gz XLWGWGMVXXZIGU-UHFFFAOYSA-N 0 0 386.333 3.023 20 30 GGEDRN C(=NNCc1ccc(-c2ccccc2)cc1)c1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000819718497 606204975 /nfs/dbraw/zinc/20/49/75/606204975.db2.gz JZFMECGKLMUTFU-UHFFFAOYSA-N 0 0 394.442 3.305 20 30 GGEDRN Cc1cc(Oc2ccc(-c3nn[nH]n3)cc2)ccc1NC(=O)c1cc(C#N)cn1C ZINC000822211604 606236422 /nfs/dbraw/zinc/23/64/22/606236422.db2.gz HEXWJBMRLOKCML-UHFFFAOYSA-N 0 0 399.414 3.430 20 30 GGEDRN FC(F)(F)c1nc2ccccc2c(N=NCc2ccc(-c3nn[nH]n3)s2)n1 ZINC000822728323 606369257 /nfs/dbraw/zinc/36/92/57/606369257.db2.gz GXTKJEJJMZVSHP-UHFFFAOYSA-N 0 0 390.354 3.336 20 30 GGEDRN O=C1C(=Cc2ccc(-c3nn[nH]n3)s2)COc2ccc(Br)cc21 ZINC000823503061 606389741 /nfs/dbraw/zinc/38/97/41/606389741.db2.gz ASMJNDXHHGEBFF-VMPITWQZSA-N 0 0 389.234 3.349 20 30 GGEDRN Cc1c(C(=O)C=Cc2ccc(-c3nn[nH]n3)s2)cnn1-c1ccc(C#N)cc1 ZINC000822014871 606392418 /nfs/dbraw/zinc/39/24/18/606392418.db2.gz ANDSAOFQNXNSQQ-VURMDHGXSA-N 0 0 387.428 3.190 20 30 GGEDRN CCCCCCC[C@@H](C)CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000821049551 606398536 /nfs/dbraw/zinc/39/85/36/606398536.db2.gz LGEIWIAPBCDKHO-CYBMUJFWSA-N 0 0 390.463 3.057 20 30 GGEDRN Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4nn[nH]n4)cn3C)n2)cc1 ZINC000822213872 606407470 /nfs/dbraw/zinc/40/74/70/606407470.db2.gz DZZPCULNPMOJBP-CQSZACIVSA-N 0 0 389.444 3.127 20 30 GGEDRN N#C[C@H](NC(=O)Cc1cccc(-c2nn[nH]n2)c1)c1cccc(Cl)c1Cl ZINC000822801686 606557330 /nfs/dbraw/zinc/55/73/30/606557330.db2.gz MJVMKSNZIVXZNR-AWEZNQCLSA-N 0 0 387.230 3.097 20 30 GGEDRN C=C(C)CN(CC)C(=O)CSCc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000819722716 606597653 /nfs/dbraw/zinc/59/76/53/606597653.db2.gz PCFUFWBBUTWVDU-UHFFFAOYSA-N 0 0 397.451 3.126 20 30 GGEDRN CC(=CC(=O)Nc1ccc(-c2nn[nH]n2)c(C#N)c1)c1ccccc1OC(F)F ZINC000819766016 606603410 /nfs/dbraw/zinc/60/34/10/606603410.db2.gz UISSFRPKGDUBQB-FLIBITNWSA-N 0 0 396.357 3.382 20 30 GGEDRN Cc1cc(OCc2cccc(-c3nn[nH]n3)c2)ccc1NC(=O)N(C)CCC#N ZINC000822212006 606642364 /nfs/dbraw/zinc/64/23/64/606642364.db2.gz YGJUQZCHLCBOAT-UHFFFAOYSA-N 0 0 391.435 3.132 20 30 GGEDRN Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)N(C)[C@H](C)CC#N)cc1 ZINC000822135893 606790936 /nfs/dbraw/zinc/79/09/36/606790936.db2.gz GMKBKPLVTGEJRL-CQSZACIVSA-N 0 0 376.420 3.342 20 30 GGEDRN N#CC1(OC(=O)c2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CCC1 ZINC000822801981 606801889 /nfs/dbraw/zinc/80/18/89/606801889.db2.gz SPUVYBZRECVYAF-UHFFFAOYSA-N 0 0 375.388 3.049 20 30 GGEDRN CC(C)c1nc(-c2nnn[n-]2)c(N=NC2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000820196822 606860404 /nfs/dbraw/zinc/86/04/04/606860404.db2.gz DGFSQPPBIYHVET-ZDUSSCGKSA-N 0 0 380.456 3.040 20 30 GGEDRN Cc1cc(Oc2ncccc2-c2nn[nH]n2)ccc1NC(=O)C1(C#N)CC(C)C1 ZINC000822211909 606864885 /nfs/dbraw/zinc/86/48/85/606864885.db2.gz STAPMXSKSJFFFO-UHFFFAOYSA-N 0 0 389.419 3.241 20 30 GGEDRN N#Cc1ccc(F)c(COC(=O)c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)c1 ZINC000822830238 606868653 /nfs/dbraw/zinc/86/86/53/606868653.db2.gz YJNYELASECUGOO-UHFFFAOYSA-N 0 0 391.284 3.253 20 30 GGEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000820031144 606996026 /nfs/dbraw/zinc/99/60/26/606996026.db2.gz AJIROIFEVXFIMP-SFHVURJKSA-N 0 0 395.394 3.024 20 30 GGEDRN C=CCn1c(SCc2ccc(F)c(-c3nn[nH]n3)c2)nnc1-c1ccncc1 ZINC000819766161 607006138 /nfs/dbraw/zinc/00/61/38/607006138.db2.gz VQRYORIQZASDJL-UHFFFAOYSA-N 0 0 394.439 3.138 20 30 GGEDRN C[C@@H](Sc1cccc(-c2nn[nH]n2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000820555449 607015134 /nfs/dbraw/zinc/01/51/34/607015134.db2.gz LGEDFJISAVVAOO-SNVBAGLBSA-N 0 0 396.501 3.408 20 30 GGEDRN C=CCn1c(SCc2cc(-c3nn[nH]n3)ccc2F)nnc1-c1ccccn1 ZINC000819764540 607019423 /nfs/dbraw/zinc/01/94/23/607019423.db2.gz IWOBYFJKQZCQGS-UHFFFAOYSA-N 0 0 394.439 3.138 20 30 GGEDRN N#Cc1cnc(Oc2ccc(Br)cc2-c2nn[nH]n2)c(Cl)c1 ZINC000822842686 607046412 /nfs/dbraw/zinc/04/64/12/607046412.db2.gz UFRVRIONFWYLRU-UHFFFAOYSA-N 0 0 377.589 3.342 20 30 GGEDRN CCCn1nc(C)c(C=CC(=O)c2c(C)n3c(c2-c2nn[nH]n2)CCC3)c1C ZINC000821147729 607111208 /nfs/dbraw/zinc/11/12/08/607111208.db2.gz IKXNBCMVHSYSRV-HJWRWDBZSA-N 0 0 379.468 3.042 20 30 GGEDRN Cc1sc2ncnc(N=NCc3c[nH]c4ccc(-c5nn[nH]n5)cc34)c2c1C ZINC000822563934 607145870 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3.420 20 30 GGEDRN CN(C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C1(C#N)CCC1 ZINC000066336715 1408816084 /nfs/dbraw/zinc/81/60/84/1408816084.db2.gz CSVCQHCPNPSQRM-UHFFFAOYSA-N 0 0 387.436 3.145 20 30 GGEDRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N(C)C2(C#N)CCC2)cc1 ZINC000066336681 1408816091 /nfs/dbraw/zinc/81/60/91/1408816091.db2.gz ARBOQLTYWKYYAC-IRXDYDNUSA-N 0 0 383.492 3.373 20 30 GGEDRN CN(C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)C1(C#N)CCC1 ZINC000066336660 1408816135 /nfs/dbraw/zinc/81/61/35/1408816135.db2.gz UXBMVSLRHAVRML-UHFFFAOYSA-N 0 0 375.428 3.121 20 30 GGEDRN COc1cccc(NC(=O)COc2ccc(C(=O)N(C)C3(C#N)CCC3)cc2)c1 ZINC000066336731 1408816156 /nfs/dbraw/zinc/81/61/56/1408816156.db2.gz IHOQOYYSHYNDSV-UHFFFAOYSA-N 0 0 393.443 3.231 20 30 GGEDRN CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C1(C#N)CCC1 ZINC000066336978 1408816222 /nfs/dbraw/zinc/81/62/22/1408816222.db2.gz CMQBOQSNRFICGO-UHFFFAOYSA-N 0 0 395.912 3.033 20 30 GGEDRN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000176526703 1428351242 /nfs/dbraw/zinc/35/12/42/1428351242.db2.gz CKZKCOXAHOTCRZ-SFHVURJKSA-N 0 0 378.480 3.482 20 30 GGEDRN C#CCN(Cc1ccc(F)cc1)C(=O)C[C@@H](NC(C)=O)c1c(F)cccc1F ZINC000066352795 1408821388 /nfs/dbraw/zinc/82/13/88/1408821388.db2.gz FFPUBQVUBQAAMG-LJQANCHMSA-N 0 0 388.389 3.333 20 30 GGEDRN N#Cc1cccc(NC(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1 ZINC000066354918 1408821943 /nfs/dbraw/zinc/82/19/43/1408821943.db2.gz LVDYZWVSNFCNOE-OAHLLOKOSA-N 0 0 379.338 3.138 20 30 GGEDRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000066374712 1408825206 /nfs/dbraw/zinc/82/52/06/1408825206.db2.gz IQFCDASDOYYWNI-JTSKRJEESA-N 0 0 384.524 3.476 20 30 GGEDRN Cc1cc(NC(=O)c2ccc(C#N)c(C)n2)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC000066380269 1408827365 /nfs/dbraw/zinc/82/73/65/1408827365.db2.gz HVCUWONOKLHTAX-UHFFFAOYSA-N 0 0 386.337 3.422 20 30 GGEDRN N#C[C@@H](NC(=O)CN1C(=O)COc2ccccc21)c1cccc(Cl)c1Cl ZINC000066392212 1408828879 /nfs/dbraw/zinc/82/88/79/1408828879.db2.gz DXMLEJAHOQCZAJ-CYBMUJFWSA-N 0 0 390.226 3.100 20 30 GGEDRN N#C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cccc(Cl)c1Cl ZINC000066392122 1408829000 /nfs/dbraw/zinc/82/90/00/1408829000.db2.gz LTBSMBBNXQJBSE-IAQYHMDHSA-N 0 0 392.242 3.316 20 30 GGEDRN N#C[C@H](NC(=O)CNC(=O)Cc1cccc(F)c1)c1cccc(Cl)c1Cl ZINC000066392884 1408829355 /nfs/dbraw/zinc/82/93/55/1408829355.db2.gz IHKJHDYUNNXTDM-HNNXBMFYSA-N 0 0 394.233 3.172 20 30 GGEDRN Cc1nc(C(=O)N(C)C)ccc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000066393148 1408829367 /nfs/dbraw/zinc/82/93/67/1408829367.db2.gz ALGFEENSTXEIQE-HNNXBMFYSA-N 0 0 391.258 3.393 20 30 GGEDRN N#C[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1cccc(Cl)c1Cl ZINC000066393033 1408829441 /nfs/dbraw/zinc/82/94/41/1408829441.db2.gz LRJZAAUQAYMELT-CQSZACIVSA-N 0 0 387.226 3.084 20 30 GGEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1 ZINC000066396386 1408830157 /nfs/dbraw/zinc/83/01/57/1408830157.db2.gz AXFCUZADIPAAAS-FXAWDEMLSA-N 0 0 390.487 3.109 20 30 GGEDRN CN(C)S(=O)(=O)c1cccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1 ZINC000066396622 1408830452 /nfs/dbraw/zinc/83/04/52/1408830452.db2.gz NGKRDYHPORKVLU-LJQANCHMSA-N 0 0 399.516 3.229 20 30 GGEDRN CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1 ZINC000066396976 1408830506 /nfs/dbraw/zinc/83/05/06/1408830506.db2.gz IXTFIAPTSLTFLV-IBGZPJMESA-N 0 0 399.516 3.277 20 30 GGEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCn2cnc3ccccc3c2=O)cc1 ZINC000066396939 1408830510 /nfs/dbraw/zinc/83/05/10/1408830510.db2.gz ILVTXZWREYKWPM-FQEVSTJZSA-N 0 0 388.471 3.465 20 30 GGEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCc2nc(-c3ncccn3)no2)cc1 ZINC000066397197 1408830609 /nfs/dbraw/zinc/83/06/09/1408830609.db2.gz DXSFHWZEMQRRQS-INIZCTEOSA-N 0 0 390.447 3.138 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000066397125 1408830623 /nfs/dbraw/zinc/83/06/23/1408830623.db2.gz WZKIRWJLSMPUHI-HXUWFJFHSA-N 0 0 390.487 3.475 20 30 GGEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCNC(=O)OCC(F)(F)F)cc1 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CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)c2ccc(C)cc2F)ccc1OC ZINC000113304078 1412290184 /nfs/dbraw/zinc/29/01/84/1412290184.db2.gz BFWMVMZOCDEGOA-HNNXBMFYSA-N 0 0 392.452 3.302 20 30 GGEDRN Cc1cc(NC(=O)NCc2cccc(OCC#N)c2)n(Cc2ccccc2)n1 ZINC000113366212 1412298821 /nfs/dbraw/zinc/29/88/21/1412298821.db2.gz AWFLQTDMDZZOFN-UHFFFAOYSA-N 0 0 375.432 3.464 20 30 GGEDRN N#CCOc1cccc(CNC(=O)Nc2cccc(-c3nnc4n3CCC4)c2)c1 ZINC000113366318 1412298982 /nfs/dbraw/zinc/29/89/82/1412298982.db2.gz KSLYUQDXWCIKFM-UHFFFAOYSA-N 0 0 388.431 3.115 20 30 GGEDRN N#CCOc1cccc(CNC(=O)NCc2ccnc(OC3CCCC3)c2)c1 ZINC000113375245 1412300376 /nfs/dbraw/zinc/30/03/76/1412300376.db2.gz RKDGZDBXWQMAKS-UHFFFAOYSA-N 0 0 380.448 3.305 20 30 GGEDRN N#CCOc1cccc(CNC(=O)NCCCc2nc3c(s2)CCCC3)c1 ZINC000113387331 1412302575 /nfs/dbraw/zinc/30/25/75/1412302575.db2.gz HCQRBGQRMSXQEW-UHFFFAOYSA-N 0 0 384.505 3.356 20 30 GGEDRN N#CCOc1cccc(CNC(=O)NCC(=O)Nc2cccc3ccccc32)c1 ZINC000113409564 1412303971 /nfs/dbraw/zinc/30/39/71/1412303971.db2.gz MROMFKYETDYVDW-UHFFFAOYSA-N 0 0 388.427 3.180 20 30 GGEDRN COc1ccc(N2CCC(NC(=O)NCc3cccc(OCC#N)c3)CC2)cc1 ZINC000113409567 1412304089 /nfs/dbraw/zinc/30/40/89/1412304089.db2.gz BPDGVGQFBJAJDX-UHFFFAOYSA-N 0 0 394.475 3.066 20 30 GGEDRN N#CCOc1cccc(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000113409825 1412304291 /nfs/dbraw/zinc/30/42/91/1412304291.db2.gz VQYKBIIWTPVJFM-UHFFFAOYSA-N 0 0 390.443 3.214 20 30 GGEDRN N#CCOc1cccc(CNC(=O)NC[C@H](O)c2ccc3ccccc3c2)c1 ZINC000113410598 1412304585 /nfs/dbraw/zinc/30/45/85/1412304585.db2.gz CLIAAHRKPAHXSY-NRFANRHFSA-N 0 0 375.428 3.275 20 30 GGEDRN N#CCOc1cccc(CNC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC000113411067 1412304656 /nfs/dbraw/zinc/30/46/56/1412304656.db2.gz SZCJJKCUSCKKKJ-NRFANRHFSA-N 0 0 379.460 3.244 20 30 GGEDRN CC(C)(CNC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1Cl ZINC000113437156 1412306229 /nfs/dbraw/zinc/30/62/29/1412306229.db2.gz CBLLFPNBUVYTOW-UHFFFAOYSA-N 0 0 387.842 3.175 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCc1ncc(C(C)(C)C)o1 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GGEDRN C#CC[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccccn1 ZINC000113660631 1412331767 /nfs/dbraw/zinc/33/17/67/1412331767.db2.gz BHZFQOVIQSZKNM-LJQANCHMSA-N 0 0 386.473 3.032 20 30 GGEDRN C#CC[C@H](OC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C)c1ccccn1 ZINC000113660996 1412331921 /nfs/dbraw/zinc/33/19/21/1412331921.db2.gz VLXJEMBONXUEPQ-FQEVSTJZSA-N 0 0 389.459 3.141 20 30 GGEDRN C#CC[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccccn1 ZINC000113660629 1412332029 /nfs/dbraw/zinc/33/20/29/1412332029.db2.gz BHZFQOVIQSZKNM-IBGZPJMESA-N 0 0 386.473 3.032 20 30 GGEDRN C#CC[C@H](OC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1ccccn1 ZINC000113661187 1412332101 /nfs/dbraw/zinc/33/21/01/1412332101.db2.gz BHYHNKXISTZLOZ-FQEVSTJZSA-N 0 0 378.428 3.433 20 30 GGEDRN C#CC[C@@H](OC(=O)c1nnn(-c2cccc3ncccc32)c1C)c1ccccn1 ZINC000113661857 1412332310 /nfs/dbraw/zinc/33/23/10/1412332310.db2.gz SBNSSHGVMBTIHZ-HXUWFJFHSA-N 0 0 383.411 3.440 20 30 GGEDRN C#CC[C@H](OC(=O)CSc1nnc(C)n1Cc1ccccc1)c1ccccn1 ZINC000113661787 1412332375 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3.364 20 30 GGEDRN CNC(=O)NC(=O)CSc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N ZINC000113778897 1412342809 /nfs/dbraw/zinc/34/28/09/1412342809.db2.gz WIEBLAUFGOCVSR-UHFFFAOYSA-N 0 0 398.366 3.088 20 30 GGEDRN Cc1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1C ZINC000113779903 1412342839 /nfs/dbraw/zinc/34/28/39/1412342839.db2.gz GIGYAUJTBCJMDS-GOSISDBHSA-N 0 0 376.416 3.019 20 30 GGEDRN Cc1cc(C)cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 ZINC000113782189 1412342943 /nfs/dbraw/zinc/34/29/43/1412342943.db2.gz HIZIHETZNKOJBW-GOSISDBHSA-N 0 0 376.416 3.019 20 30 GGEDRN Cc1ccc(C)c(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 ZINC000113779065 1412342975 /nfs/dbraw/zinc/34/29/75/1412342975.db2.gz GJTNSRDKYBJHLQ-KRWDZBQOSA-N 0 0 376.416 3.019 20 30 GGEDRN CCCc1ccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 ZINC000113788533 1412343264 /nfs/dbraw/zinc/34/32/64/1412343264.db2.gz JURXCXSWNIRNDJ-IBGZPJMESA-N 0 0 390.443 3.354 20 30 GGEDRN CCCc1ccccc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000113797136 1412343932 /nfs/dbraw/zinc/34/39/32/1412343932.db2.gz OZWDSTIEHFIBSY-LJQANCHMSA-N 0 0 390.443 3.354 20 30 GGEDRN COc1ccccc1[C@H](NC(=O)CCc1ccc(C#N)cc1)c1noc(C)n1 ZINC000113844114 1412344307 /nfs/dbraw/zinc/34/43/07/1412344307.db2.gz NKVFBDPXYBVQAO-FQEVSTJZSA-N 0 0 376.416 3.097 20 30 GGEDRN COc1ccccc1[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1noc(C)n1 ZINC000113844112 1412344496 /nfs/dbraw/zinc/34/44/96/1412344496.db2.gz NKVFBDPXYBVQAO-HXUWFJFHSA-N 0 0 376.416 3.097 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1 ZINC000113853029 1412345289 /nfs/dbraw/zinc/34/52/89/1412345289.db2.gz FVOXSTDEVRSGTA-MAUKXSAKSA-N 0 0 381.407 3.249 20 30 GGEDRN N#CC1(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCCCC1 ZINC000113851620 1412345470 /nfs/dbraw/zinc/34/54/70/1412345470.db2.gz YJJLNFDKMDIGHK-OAHLLOKOSA-N 0 0 379.382 3.401 20 30 GGEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000113853566 1412345530 /nfs/dbraw/zinc/34/55/30/1412345530.db2.gz RUUBNIQDTIMWEQ-WOJBJXKFSA-N 0 0 391.471 3.032 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)C2CCN(CC(F)(F)F)CC2)c1 ZINC000113854065 1412346030 /nfs/dbraw/zinc/34/60/30/1412346030.db2.gz CXVQHAXHUIEWPH-INIZCTEOSA-N 0 0 383.414 3.258 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)C(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000113879921 1412346373 /nfs/dbraw/zinc/34/63/73/1412346373.db2.gz PBBQITOGJVINFZ-UHFFFAOYSA-N 0 0 388.427 3.401 20 30 GGEDRN C[C@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000113903426 1412348509 /nfs/dbraw/zinc/34/85/09/1412348509.db2.gz KIYHUPWIRCQHPD-INIZCTEOSA-N 0 0 399.454 3.495 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)c1 ZINC000113918936 1412352478 /nfs/dbraw/zinc/35/24/78/1412352478.db2.gz QHFQFFWPTSSBAW-INIZCTEOSA-N 0 0 392.463 3.038 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)CNC(=O)c2cccc(Cl)c2)c1 ZINC000113919283 1412352490 /nfs/dbraw/zinc/35/24/90/1412352490.db2.gz MTXIRKRKGRAQIO-KRWDZBQOSA-N 0 0 385.851 3.067 20 30 GGEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1 ZINC000113918974 1412352548 /nfs/dbraw/zinc/35/25/48/1412352548.db2.gz HEZYGECLMABLEC-GFCCVEGCSA-N 0 0 379.338 3.005 20 30 GGEDRN CCOC[C@@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000113936041 1412355046 /nfs/dbraw/zinc/35/50/46/1412355046.db2.gz JPOQCKWWWZSIJW-GOSISDBHSA-N 0 0 398.507 3.305 20 30 GGEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCOC[C@H]2CC(C)C)c1C#N ZINC000113941479 1412356598 /nfs/dbraw/zinc/35/65/98/1412356598.db2.gz RBGSOVYAQDTSCJ-GOSISDBHSA-N 0 0 398.507 3.303 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)NCCCO[C@@H]2CCCc3ccccc32)c1 ZINC000113945698 1412357183 /nfs/dbraw/zinc/35/71/83/1412357183.db2.gz AQQRVXDORNPYNN-OAQYLSRUSA-N 0 0 384.501 3.462 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCc2cn3ccccc3n2)c1 ZINC000113967111 1412359980 /nfs/dbraw/zinc/35/99/80/1412359980.db2.gz SXJIACVKVYDXQS-SFHVURJKSA-N 0 0 377.448 3.057 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCC(=O)NC2CCCCC2)c1 ZINC000113971665 1412360625 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CCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccncc1 ZINC000114102350 1412380147 /nfs/dbraw/zinc/38/01/47/1412380147.db2.gz FAYOFHUSXWIDGB-UHFFFAOYSA-N 0 0 391.431 3.471 20 30 GGEDRN N#Cc1ccc(C(=O)NCc2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1 ZINC000114127017 1412381777 /nfs/dbraw/zinc/38/17/77/1412381777.db2.gz ISZPNRBONZOZNP-UHFFFAOYSA-N 0 0 387.424 3.069 20 30 GGEDRN CN(C)C(=O)CCCC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000114172936 1412387090 /nfs/dbraw/zinc/38/70/90/1412387090.db2.gz NEDXFGPRJJESNF-UHFFFAOYSA-N 0 0 381.451 3.485 20 30 GGEDRN Cc1noc(COCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1 ZINC000114264316 1412398673 /nfs/dbraw/zinc/39/86/73/1412398673.db2.gz AZFPPWANXLWNBI-UHFFFAOYSA-N 0 0 396.378 3.123 20 30 GGEDRN N#C[C@@H]1CN(C(=O)c2csc(-c3ccoc3)n2)CCN1Cc1ccccc1 ZINC000114310013 1412409393 /nfs/dbraw/zinc/40/93/93/1412409393.db2.gz LCFQHSVLFKONJT-QGZVFWFLSA-N 0 0 378.457 3.253 20 30 GGEDRN CSc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1[N+](=O)[O-] ZINC000114309923 1412409415 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3.182 20 30 GGEDRN N#C[C@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)CCN1Cc1ccccc1 ZINC000114309813 1412409539 /nfs/dbraw/zinc/40/95/39/1412409539.db2.gz MEMQEGWQOZYVSI-IBGZPJMESA-N 0 0 387.405 3.484 20 30 GGEDRN N#C[C@H]1CN(C(=O)c2csc(-c3ccoc3)n2)CCN1Cc1ccccc1 ZINC000114310011 1412409562 /nfs/dbraw/zinc/40/95/62/1412409562.db2.gz LCFQHSVLFKONJT-KRWDZBQOSA-N 0 0 378.457 3.253 20 30 GGEDRN N#C[C@@H]1CN(C(=O)c2cc(F)c(F)c(F)c2F)CCN1Cc1ccccc1 ZINC000114310559 1412410048 /nfs/dbraw/zinc/41/00/48/1412410048.db2.gz JELYFKXVWWVYPQ-CYBMUJFWSA-N 0 0 377.341 3.093 20 30 GGEDRN N#C[C@@H]1CN(C(=O)Cc2ccccc2C(F)(F)F)CCN1Cc1ccccc1 ZINC000114310351 1412410077 /nfs/dbraw/zinc/41/00/77/1412410077.db2.gz LXUCVQHYOREMHG-GOSISDBHSA-N 0 0 387.405 3.484 20 30 GGEDRN N#C[C@H]1CN(C(=O)CSc2ccc(F)c(F)c2)CCN1Cc1ccccc1 ZINC000114310498 1412410096 /nfs/dbraw/zinc/41/00/96/1412410096.db2.gz LWEADHDIPKHPDG-INIZCTEOSA-N 0 0 387.455 3.293 20 30 GGEDRN Cc1ccc(-n2ccnc2)c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 ZINC000114310022 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383.879 3.128 20 30 GGEDRN COc1ccc(SCCC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 ZINC000114310820 1412411074 /nfs/dbraw/zinc/41/10/74/1412411074.db2.gz JPLUVEHYMHFPOV-IBGZPJMESA-N 0 0 395.528 3.414 20 30 GGEDRN N#C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000114311995 1412411655 /nfs/dbraw/zinc/41/16/55/1412411655.db2.gz UGZYIDDASTZXSJ-MRXNPFEDSA-N 0 0 384.823 3.098 20 30 GGEDRN N#C[C@@H]1CN(C(=O)CCCc2nc3ccccc3[nH]2)CCN1Cc1ccccc1 ZINC000114442023 1412434020 /nfs/dbraw/zinc/43/40/20/1412434020.db2.gz CYYYCEWEEDKCCF-LJQANCHMSA-N 0 0 387.487 3.122 20 30 GGEDRN N#C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000114442066 1412434026 /nfs/dbraw/zinc/43/40/26/1412434026.db2.gz MSAQHEFLASWPTJ-INIZCTEOSA-N 0 0 384.823 3.098 20 30 GGEDRN C=CCOc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1OC ZINC000114442200 1412434271 /nfs/dbraw/zinc/43/42/71/1412434271.db2.gz KDRRWZQLZWAUKW-HXUWFJFHSA-N 0 0 391.471 3.110 20 30 GGEDRN Cc1nc(-c2c[nH]c(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)c2)cs1 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NC(=NOCc1cc(-c2ccccc2)on1)c1ccc(CN2CCOCC2)cc1 ZINC000116104435 1412832895 /nfs/dbraw/zinc/83/28/95/1412832895.db2.gz AEONPLCFYOORIK-UHFFFAOYSA-N 0 0 392.459 3.011 20 30 GGEDRN COCCCn1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)n1 ZINC000116154770 1412837632 /nfs/dbraw/zinc/83/76/32/1412837632.db2.gz QCMKKXQDQSYAPQ-UHFFFAOYSA-N 0 0 380.404 3.216 20 30 GGEDRN C=CCn1c(-c2sc(NC(=O)c3cc(OC)ccn3)nc2C)n[nH]c1=S ZINC000116196037 1412841137 /nfs/dbraw/zinc/84/11/37/1412841137.db2.gz ZHLDLPJEAIHXPN-UHFFFAOYSA-N 0 0 388.478 3.215 20 30 GGEDRN Cc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)cc1S(=O)(=O)NCC#N ZINC000116220752 1412844310 /nfs/dbraw/zinc/84/43/10/1412844310.db2.gz FFLOIQQCIHXHAS-QGZVFWFLSA-N 0 0 391.537 3.085 20 30 GGEDRN N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccnn2C[C@@H]2CCOC2)o1 ZINC000116323976 1412850038 /nfs/dbraw/zinc/85/00/38/1412850038.db2.gz DMSDOPNLZNFAHU-HNNXBMFYSA-N 0 0 392.415 3.216 20 30 GGEDRN COC(=O)[C@@H](NC(=O)CSc1nc(C)c(C)c(C)c1C#N)c1ccccc1 ZINC000116342041 1412851549 /nfs/dbraw/zinc/85/15/49/1412851549.db2.gz SLUCMTKVSMYHPG-SFHVURJKSA-N 0 0 383.473 3.001 20 30 GGEDRN N#Cc1cccc(NC(=O)C2CCN(CC(=O)NC3CCCCCC3)CC2)c1 ZINC000116402053 1412855178 /nfs/dbraw/zinc/85/51/78/1412855178.db2.gz ZKPULUJMOPHONJ-UHFFFAOYSA-N 0 0 382.508 3.048 20 30 GGEDRN COc1cc(OC)c(OC)c2[nH]c(C(=O)N(CCC#N)Cc3ccco3)cc21 ZINC000116412056 1412856321 /nfs/dbraw/zinc/85/63/21/1412856321.db2.gz GMJVAGXNHACKJO-UHFFFAOYSA-N 0 0 383.404 3.343 20 30 GGEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc(-c3ccccc3Cl)on2)c1 ZINC000116422938 1412858060 /nfs/dbraw/zinc/85/80/60/1412858060.db2.gz ATBWSKXGWBIYRU-UHFFFAOYSA-N 0 0 393.830 3.369 20 30 GGEDRN COc1cccc(Cn2nccc2NC(=O)Cc2ccc(C#N)cc2)c1OC ZINC000116451820 1412862012 /nfs/dbraw/zinc/86/20/12/1412862012.db2.gz DOIMMGMCKQJQFS-UHFFFAOYSA-N 0 0 376.416 3.001 20 30 GGEDRN CCOC(=O)c1cc(NC(=O)Cc2ccc(C#N)cc2)cc(C(=O)OCC)c1 ZINC000116450837 1412862028 /nfs/dbraw/zinc/86/20/28/1412862028.db2.gz AJFNXJKHGNPNNE-UHFFFAOYSA-N 0 0 380.400 3.093 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000116456128 1412862721 /nfs/dbraw/zinc/86/27/21/1412862721.db2.gz ZRFABHHOGGBTRO-NRFANRHFSA-N 0 0 396.535 3.494 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000116456131 1412862740 /nfs/dbraw/zinc/86/27/40/1412862740.db2.gz ZRFABHHOGGBTRO-OAQYLSRUSA-N 0 0 396.535 3.494 20 30 GGEDRN Cn1cc([C@@H]2CCN(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)C2)cn1 ZINC000116484650 1412866618 /nfs/dbraw/zinc/86/66/18/1412866618.db2.gz QQAZFHOHSUOFDV-GFCCVEGCSA-N 0 0 393.369 3.254 20 30 GGEDRN Cn1cc([C@H]2CCN(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)C2)cn1 ZINC000116484652 1412866766 /nfs/dbraw/zinc/86/67/66/1412866766.db2.gz QQAZFHOHSUOFDV-LBPRGKRZSA-N 0 0 393.369 3.254 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCc3ccccc3CC2)cc1 ZINC000116486607 1412867098 /nfs/dbraw/zinc/86/70/98/1412867098.db2.gz BCSPLBBHYZNSNC-UHFFFAOYSA-N 0 0 399.516 3.126 20 30 GGEDRN Cn1cc([C@H]2CCN(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)C2)cn1 ZINC000116550216 1412875683 /nfs/dbraw/zinc/87/56/83/1412875683.db2.gz CJLWWNGVWQXERG-KKXNLOMOSA-N 0 0 393.491 3.181 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000116556384 1412876451 /nfs/dbraw/zinc/87/64/51/1412876451.db2.gz FPVUQJCHMFWDNY-PMACEKPBSA-N 0 0 382.508 3.339 20 30 GGEDRN N#C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)CCN1Cc1ccccc1 ZINC000116563797 1412878072 /nfs/dbraw/zinc/87/80/72/1412878072.db2.gz WLJLGIZMSLDZII-FUHIMQAGSA-N 0 0 396.441 3.240 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(C(C)(C)C)cc2)c1 ZINC000116581221 1412881717 /nfs/dbraw/zinc/88/17/17/1412881717.db2.gz TWXJDNQNBKTUEM-HXUWFJFHSA-N 0 0 396.487 3.337 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000116584333 1412882720 /nfs/dbraw/zinc/88/27/20/1412882720.db2.gz VJZNTSPWBQBCIP-YJBOKZPZSA-N 0 0 399.397 3.258 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000116584721 1412882821 /nfs/dbraw/zinc/88/28/21/1412882821.db2.gz XLMDOKQWTALQQR-CZUORRHYSA-N 0 0 399.397 3.234 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C[C@@H](C)c2cccc(F)c2)cc1 ZINC000116593271 1412884814 /nfs/dbraw/zinc/88/48/14/1412884814.db2.gz HINJPWRTZYJGAX-FOIQADDNSA-N 0 0 382.435 3.396 20 30 GGEDRN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c2cccc(F)c2)cc1 ZINC000116593275 1412884904 /nfs/dbraw/zinc/88/49/04/1412884904.db2.gz HINJPWRTZYJGAX-QRWLVFNGSA-N 0 0 382.435 3.396 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C[C@H](C)c2cccc(F)c2)cc1 ZINC000116593269 1412884998 /nfs/dbraw/zinc/88/49/98/1412884998.db2.gz HINJPWRTZYJGAX-MGPUTAFESA-N 0 0 382.435 3.396 20 30 GGEDRN CCCCc1nc(CON=C(N)c2ccc(CN3CCOCC3)cc2)cs1 ZINC000116600186 1412885638 /nfs/dbraw/zinc/88/56/38/1412885638.db2.gz DUPKEDAIJREMBT-UHFFFAOYSA-N 0 0 388.537 3.155 20 30 GGEDRN COc1cc(Cn2nc3ccccn3c2=O)ccc1OCc1cccc(C#N)c1 ZINC000116611763 1412886418 /nfs/dbraw/zinc/88/64/18/1412886418.db2.gz RMGJIMPRIXZPBB-UHFFFAOYSA-N 0 0 386.411 3.004 20 30 GGEDRN COc1cc(Cn2nnc3ccccc3c2=O)ccc1OCc1cccc(C#N)c1 ZINC000116610777 1412886514 /nfs/dbraw/zinc/88/65/14/1412886514.db2.gz AIRRTKGFTFYGRN-UHFFFAOYSA-N 0 0 398.422 3.299 20 30 GGEDRN COc1cc(Cn2cc([N+](=O)[O-])ccc2=O)ccc1OCc1cccc(C#N)c1 ZINC000116609961 1412886622 /nfs/dbraw/zinc/88/66/22/1412886622.db2.gz MACRYZFURGQBBW-UHFFFAOYSA-N 0 0 391.383 3.264 20 30 GGEDRN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 ZINC000116622667 1412888047 /nfs/dbraw/zinc/88/80/47/1412888047.db2.gz GWNGFZFIMMHPPK-LBPRGKRZSA-N 0 0 392.864 3.269 20 30 GGEDRN CCS(=O)(=O)CCNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000116639272 1412890134 /nfs/dbraw/zinc/89/01/34/1412890134.db2.gz ZTUGMGQQEACQPT-UHFFFAOYSA-N 0 0 392.864 3.168 20 30 GGEDRN N#Cc1ccc(CSCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000116643259 1412890834 /nfs/dbraw/zinc/89/08/34/1412890834.db2.gz MFXREBWVSCETRT-UHFFFAOYSA-N 0 0 381.501 3.262 20 30 GGEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCn3cnnc3C2)c1 ZINC000116645291 1412891245 /nfs/dbraw/zinc/89/12/45/1412891245.db2.gz QCRQUUZEPNEFRC-UHFFFAOYSA-N 0 0 379.807 3.251 20 30 GGEDRN CC(C)c1ccc(CCCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000116656995 1412892315 /nfs/dbraw/zinc/89/23/15/1412892315.db2.gz DTUQYIZMRWDTJK-UHFFFAOYSA-N 0 0 398.528 3.345 20 30 GGEDRN CC[C@@H](C#N)NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC000116664501 1412894599 /nfs/dbraw/zinc/89/45/99/1412894599.db2.gz LLSIZSZXXCTHRF-HNNXBMFYSA-N 0 0 391.880 3.197 20 30 GGEDRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H](C#N)CC)cc2)c1C(F)(F)F ZINC000116664358 1412894644 /nfs/dbraw/zinc/89/46/44/1412894644.db2.gz BXWMPYNSTDTUIW-LBPRGKRZSA-N 0 0 394.353 3.100 20 30 GGEDRN CC[C@H](C#N)NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC000116664504 1412894714 /nfs/dbraw/zinc/89/47/14/1412894714.db2.gz LLSIZSZXXCTHRF-OAHLLOKOSA-N 0 0 391.880 3.197 20 30 GGEDRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@@H](C#N)CC)cc2)c1C(F)(F)F ZINC000116664359 1412894788 /nfs/dbraw/zinc/89/47/88/1412894788.db2.gz BXWMPYNSTDTUIW-GFCCVEGCSA-N 0 0 394.353 3.100 20 30 GGEDRN CCC[C@@H](C#N)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000116664198 1412894793 /nfs/dbraw/zinc/89/47/93/1412894793.db2.gz WWONDVFOKDUVOX-AWEZNQCLSA-N 0 0 393.415 3.188 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCOC[C@H]1c1ccc(C)o1 ZINC000116707500 1412899389 /nfs/dbraw/zinc/89/93/89/1412899389.db2.gz XSBIMVICNMKLKA-KRWDZBQOSA-N 0 0 384.432 3.227 20 30 GGEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCCN2CCOCC2)c1 ZINC000116714474 1412902670 /nfs/dbraw/zinc/90/26/70/1412902670.db2.gz IBDNYSYJZBBLMM-UHFFFAOYSA-N 0 0 385.851 3.066 20 30 GGEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000116715987 1412903073 /nfs/dbraw/zinc/90/30/73/1412903073.db2.gz YGZCTFPRXSRTTJ-CQSZACIVSA-N 0 0 383.835 3.341 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)CS(=O)(=O)CCCc2ccccc2)cc1 ZINC000116712586 1412903118 /nfs/dbraw/zinc/90/31/18/1412903118.db2.gz LBZZSZSOLUKXJX-UHFFFAOYSA-N 0 0 384.501 3.289 20 30 GGEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCCN2CCOCC2)c1 ZINC000116714459 1412903140 /nfs/dbraw/zinc/90/31/40/1412903140.db2.gz UQBCSXSPKCCRQP-UHFFFAOYSA-N 0 0 385.851 3.066 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)c1ccnc(Br)c1 ZINC000177317503 1428685302 /nfs/dbraw/zinc/68/53/02/1428685302.db2.gz OSSUVWMDOJSCKE-UHFFFAOYSA-N 0 0 376.279 3.379 20 30 GGEDRN N#Cc1ccc(CN2CCCN(C(=O)c3cccc(-n4cccn4)c3)CC2)cc1 ZINC000116719575 1412904489 /nfs/dbraw/zinc/90/44/89/1412904489.db2.gz XLQUHYDYSKGRKL-UHFFFAOYSA-N 0 0 385.471 3.092 20 30 GGEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCC[C@H]2C(N)=O)c1 ZINC000116724779 1412905805 /nfs/dbraw/zinc/90/58/05/1412905805.db2.gz ULQFMCUCMWXVDQ-KRWDZBQOSA-N 0 0 383.835 3.484 20 30 GGEDRN COc1cc([C@H](C#N)NC(=O)CCOc2cc(C)cc(C)c2)cc(OC)c1OC ZINC000116739056 1412911611 /nfs/dbraw/zinc/91/16/11/1412911611.db2.gz ULKMJSQGAGNLQF-SFHVURJKSA-N 0 0 398.459 3.479 20 30 GGEDRN COc1cc([C@H](C#N)NC(=O)c2ccc(OCC3CC3)cc2)cc(OC)c1OC ZINC000116739204 1412911826 /nfs/dbraw/zinc/91/18/26/1412911826.db2.gz BZULNDGMBCRCOU-SFHVURJKSA-N 0 0 396.443 3.496 20 30 GGEDRN COc1cc([C@H](C#N)NC(=O)Cn2ccc3ccccc32)cc(OC)c1OC ZINC000116739180 1412911992 /nfs/dbraw/zinc/91/19/92/1412911992.db2.gz NWFRWTHSEBJPTH-INIZCTEOSA-N 0 0 379.416 3.048 20 30 GGEDRN CCC(=O)Nc1cccc(C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000116739139 1412912544 /nfs/dbraw/zinc/91/25/44/1412912544.db2.gz YGGJIKACQKOOBB-INIZCTEOSA-N 0 0 397.431 3.056 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)CNC(=O)N2CCc3ccccc3C2)cc1 ZINC000116738285 1412912556 /nfs/dbraw/zinc/91/25/56/1412912556.db2.gz JKMWOFOEZMBPKO-UHFFFAOYSA-N 0 0 376.460 3.010 20 30 GGEDRN N#CCCN(Cc1ccccn1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116750874 1412916346 /nfs/dbraw/zinc/91/63/46/1412916346.db2.gz POWMTJORYOKRIJ-UHFFFAOYSA-N 0 0 388.811 3.355 20 30 GGEDRN C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)C1 ZINC000116800824 1412925180 /nfs/dbraw/zinc/92/51/80/1412925180.db2.gz KXHIWODBTSMXTG-DNVFCKCGSA-N 0 0 397.519 3.283 20 30 GGEDRN C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc(CS(=O)(=O)NC(C)(C)C)c2)C1 ZINC000116799268 1412925298 /nfs/dbraw/zinc/92/52/98/1412925298.db2.gz XOLMKHZICYSIHO-MGPUTAFESA-N 0 0 391.537 3.107 20 30 GGEDRN COc1cccc(-n2c(C)nnc2SCC(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1 ZINC000116802908 1412925334 /nfs/dbraw/zinc/92/53/34/1412925334.db2.gz SWBCGTVYTKJSPR-VBKZILBWSA-N 0 0 399.520 3.265 20 30 GGEDRN COc1nn(C)c2nc(C)c(CCC(=O)N[C@@]3(C#N)CCC[C@H](C)C3)c(C)c12 ZINC000116811519 1412926211 /nfs/dbraw/zinc/92/62/11/1412926211.db2.gz IHTVSQFUBVGNGW-ZSEKCTLFSA-N 0 0 383.496 3.115 20 30 GGEDRN C[C@H]1CCC[C@](C#N)(NC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)C1 ZINC000116805016 1412926390 /nfs/dbraw/zinc/92/63/90/1412926390.db2.gz UUOIURKVNNTYBP-KKSFZXQISA-N 0 0 379.464 3.114 20 30 GGEDRN COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000116808540 1412926665 /nfs/dbraw/zinc/92/66/65/1412926665.db2.gz PXKUBYAJANAYCY-JLTOFOAXSA-N 0 0 399.520 3.265 20 30 GGEDRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000116805589 1412926687 /nfs/dbraw/zinc/92/66/87/1412926687.db2.gz KPYDFQQTSVMABU-ZSEKCTLFSA-N 0 0 380.496 3.027 20 30 GGEDRN C[C@H]1CCC[C@@](C#N)(NC(=O)CCCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000116805293 1412926744 /nfs/dbraw/zinc/92/67/44/1412926744.db2.gz NUUHDSDPDFOXTK-OXJNMPFZSA-N 0 0 392.521 3.228 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)C1 ZINC000116807087 1412927208 /nfs/dbraw/zinc/92/72/08/1412927208.db2.gz FGFKRAFDKVLKDR-JPYJTQIMSA-N 0 0 397.519 3.283 20 30 GGEDRN C[C@H]1CCC[C@](C#N)(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)C1 ZINC000116813589 1412927594 /nfs/dbraw/zinc/92/75/94/1412927594.db2.gz KOUZBJOHVISORR-YWZLYKJASA-N 0 0 389.521 3.110 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)C1 ZINC000116813587 1412927962 /nfs/dbraw/zinc/92/79/62/1412927962.db2.gz KOUZBJOHVISORR-QRWLVFNGSA-N 0 0 389.521 3.110 20 30 GGEDRN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc1 ZINC000116814832 1412928185 /nfs/dbraw/zinc/92/81/85/1412928185.db2.gz IHQULYVPCQKOCK-VLIAUNLRSA-N 0 0 399.520 3.265 20 30 GGEDRN 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3.460 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000177321828 1428688795 /nfs/dbraw/zinc/68/87/95/1428688795.db2.gz JWDVCAYRRBXXMZ-LLVKDONJSA-N 0 0 395.806 3.078 20 30 GGEDRN C=CC[C@H](C)NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000116853198 1412942764 /nfs/dbraw/zinc/94/27/64/1412942764.db2.gz UGIPOWTZAVWJLS-NSHDSACASA-N 0 0 377.422 3.333 20 30 GGEDRN C=CC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000116858499 1412943349 /nfs/dbraw/zinc/94/33/49/1412943349.db2.gz HGOGPQYJAYGFJW-YQQAZPJKSA-N 0 0 394.537 3.247 20 30 GGEDRN C=CC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000116856345 1412943359 /nfs/dbraw/zinc/94/33/59/1412943359.db2.gz BVQHKCGPNYRQGO-HNNXBMFYSA-N 0 0 388.489 3.499 20 30 GGEDRN C=CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000116860515 1412943508 /nfs/dbraw/zinc/94/35/08/1412943508.db2.gz DKWMAVRFNZPAEG-QGZVFWFLSA-N 0 0 378.538 3.093 20 30 GGEDRN C=CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000116860293 1412943589 /nfs/dbraw/zinc/94/35/89/1412943589.db2.gz YXSYOTYFYIPATM-LBPRGKRZSA-N 0 0 380.416 3.460 20 30 GGEDRN C=CC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000116856347 1412943694 /nfs/dbraw/zinc/94/36/94/1412943694.db2.gz BVQHKCGPNYRQGO-OAHLLOKOSA-N 0 0 388.489 3.499 20 30 GGEDRN C=CC[C@H](C)NC(=O)CCc1nc(-c2cc(Cl)c(OC)c(OC)c2)no1 ZINC000116862373 1412943781 /nfs/dbraw/zinc/94/37/81/1412943781.db2.gz IZWXSRZPKRIWCH-NSHDSACASA-N 0 0 379.844 3.421 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000177321848 1428688905 /nfs/dbraw/zinc/68/89/05/1428688905.db2.gz JLBMAPFFMXLUGL-NSHDSACASA-N 0 0 395.806 3.078 20 30 GGEDRN Cc1ccc(-c2csc(CC(N)=NOCc3cccc(C(N)=O)c3)n2)cc1 ZINC000116873927 1412946273 /nfs/dbraw/zinc/94/62/73/1412946273.db2.gz BBEMLIFKNGAVOJ-UHFFFAOYSA-N 0 0 380.473 3.249 20 30 GGEDRN Cc1ccc(-c2csc(CC(N)=NOCC(=O)N3CCC(C)CC3)n2)cc1 ZINC000116873897 1412946413 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C=CC[C@H](C)NC(=O)N1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000116974222 1412969657 /nfs/dbraw/zinc/96/96/57/1412969657.db2.gz GJQVESHGOOGTFN-KBPBESRZSA-N 0 0 375.498 3.151 20 30 GGEDRN C=CC[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000116998688 1412975396 /nfs/dbraw/zinc/97/53/96/1412975396.db2.gz UZKMUKCNBYVMCE-CQSZACIVSA-N 0 0 378.498 3.024 20 30 GGEDRN C=CC[C@H](C)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC000117002726 1412976078 /nfs/dbraw/zinc/97/60/78/1412976078.db2.gz AXQDVSPWISVKJC-YUCJCZDXSA-N 0 0 392.525 3.366 20 30 GGEDRN C=CC[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC000117002728 1412976348 /nfs/dbraw/zinc/97/63/48/1412976348.db2.gz AXQDVSPWISVKJC-VGLIXDPASA-N 0 0 392.525 3.366 20 30 GGEDRN COCCOC1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000117007386 1412977041 /nfs/dbraw/zinc/97/70/41/1412977041.db2.gz WNXGJYCEGDIYBL-UHFFFAOYSA-N 0 0 379.460 3.141 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)Nc2ccc(-n3nccn3)cc2)cc1OC ZINC000117072321 1412992624 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3.155 20 30 GGEDRN C[C@H](Sc1n[nH]c(-c2ccccn2)n1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000117112866 1413001054 /nfs/dbraw/zinc/00/10/54/1413001054.db2.gz OKUMKMLDLFHSNU-ZDUSSCGKSA-N 0 0 396.451 3.433 20 30 GGEDRN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000117190580 1413009887 /nfs/dbraw/zinc/00/98/87/1413009887.db2.gz NFGVHOSLYGMIOY-LJQANCHMSA-N 0 0 381.451 3.364 20 30 GGEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc(F)ccc2F)cc1 ZINC000117224589 1413014464 /nfs/dbraw/zinc/01/44/64/1413014464.db2.gz HNKVACJERXGDIV-XLNRJJMWSA-N 0 0 393.415 3.030 20 30 GGEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CNC(=O)c1cccs1 ZINC000117237404 1413017755 /nfs/dbraw/zinc/01/77/55/1413017755.db2.gz YBBNXDXENUVEMY-UHFFFAOYSA-N 0 0 392.440 3.484 20 30 GGEDRN N#C[C@H](NC(=O)CNC(=O)c1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000117250620 1413018967 /nfs/dbraw/zinc/01/89/67/1413018967.db2.gz SEUAITONRYMOIZ-QFIPXVFZSA-N 0 0 399.450 3.376 20 30 GGEDRN C#Cc1cccc(N(CC)C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000117252198 1413019304 /nfs/dbraw/zinc/01/93/04/1413019304.db2.gz JKNCVBFUSGZKII-UHFFFAOYSA-N 0 0 385.807 3.012 20 30 GGEDRN N#C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000117254909 1413019650 /nfs/dbraw/zinc/01/96/50/1413019650.db2.gz QRRMKVQMSYQTDF-INIZCTEOSA-N 0 0 382.763 3.084 20 30 GGEDRN Nc1c(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc(F)cc1[N+](=O)[O-] ZINC000117312452 1413024340 /nfs/dbraw/zinc/02/43/40/1413024340.db2.gz AWCWQJUBIDSLDK-UHFFFAOYSA-N 0 0 389.227 3.273 20 30 GGEDRN N#Cc1cccc(OC2CCN(Cn3[nH]c(-c4ccccn4)nc3=S)CC2)c1 ZINC000117320045 1413024834 /nfs/dbraw/zinc/02/48/34/1413024834.db2.gz OLTRANYYJGDUPL-UHFFFAOYSA-N 0 0 392.488 3.375 20 30 GGEDRN COC(=O)N(C)Cc1ccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000117329831 1413025724 /nfs/dbraw/zinc/02/57/24/1413025724.db2.gz UVCQJZJNWABIGJ-UHFFFAOYSA-N 0 0 386.839 3.460 20 30 GGEDRN O=C(CN1CCC(C(F)(F)F)(C(F)(F)F)C1)NCCc1ccc(F)cc1 ZINC000117353382 1413028268 /nfs/dbraw/zinc/02/82/68/1413028268.db2.gz IEZWSCFHLOSEGX-UHFFFAOYSA-N 0 0 386.311 3.301 20 30 GGEDRN N#Cc1ccc(N2CC[C@H](N3CCC(C(F)(F)F)(C(F)(F)F)C3)C2=O)cc1 ZINC000117350822 1413028832 /nfs/dbraw/zinc/02/88/32/1413028832.db2.gz IBNGOKLPGWIEKS-ZDUSSCGKSA-N 0 0 391.315 3.480 20 30 GGEDRN CC(C)(CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)Cc1ccccc1 ZINC000117407594 1413033440 /nfs/dbraw/zinc/03/34/40/1413033440.db2.gz XBKFOQULYIZJTH-UHFFFAOYSA-N 0 0 391.519 3.490 20 30 GGEDRN C=CCCCN1C(=O)NC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C1=O ZINC000117545636 1413051323 /nfs/dbraw/zinc/05/13/23/1413051323.db2.gz VVSSXOYCYISWFX-UHFFFAOYSA-N 0 0 380.444 3.465 20 30 GGEDRN C=CCCCSc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1 ZINC000117549334 1413052009 /nfs/dbraw/zinc/05/20/09/1413052009.db2.gz LRDTUPVGXDDLGP-UHFFFAOYSA-N 0 0 376.501 3.475 20 30 GGEDRN N#CCc1ccc(OCc2ccccc2NC(=O)COC[C@@H]2CCOC2)cc1 ZINC000117622851 1413057126 /nfs/dbraw/zinc/05/71/26/1413057126.db2.gz KYSWCMJUNPGWSJ-GOSISDBHSA-N 0 0 380.444 3.323 20 30 GGEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COC[C@@H]1CCOC1 ZINC000117649112 1413060226 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398.532 3.440 20 30 GGEDRN N#Cc1ccc(CN2CCN(CCCc3nc(-c4cccs4)no3)CC2)s1 ZINC000121880155 1414289095 /nfs/dbraw/zinc/28/90/95/1414289095.db2.gz VWFSIMILJBLLOU-UHFFFAOYSA-N 0 0 399.545 3.482 20 30 GGEDRN C=CCOc1ccc(CN2CCN(Cc3cn4ccccc4n3)CC2)cc1OC ZINC000121897196 1414297518 /nfs/dbraw/zinc/29/75/18/1414297518.db2.gz CCCWXQPKKZVSHQ-UHFFFAOYSA-N 0 0 392.503 3.226 20 30 GGEDRN Cc1ccc2c(CC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)coc2c1 ZINC000121898410 1414297761 /nfs/dbraw/zinc/29/77/61/1414297761.db2.gz GZLFRIMXBTXKCV-MRXNPFEDSA-N 0 0 383.448 3.255 20 30 GGEDRN C[C@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000121899442 1414298073 /nfs/dbraw/zinc/29/80/73/1414298073.db2.gz FWSLOJUYSFBZHN-LBPRGKRZSA-N 0 0 380.473 3.050 20 30 GGEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC2(CCCC2)c2ccccc21 ZINC000121900106 1414298770 /nfs/dbraw/zinc/29/87/70/1414298770.db2.gz XUMTVOZCWNITCG-UHFFFAOYSA-N 0 0 383.429 3.487 20 30 GGEDRN C[C@H](NC(=O)C(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000121900203 1414299140 /nfs/dbraw/zinc/29/91/40/1414299140.db2.gz WNYKUMWWLVRUAO-SWLSCSKDSA-N 0 0 380.473 3.409 20 30 GGEDRN Cn1ccnc1C[C@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000121906611 1414302103 /nfs/dbraw/zinc/30/21/03/1414302103.db2.gz APRVLSIOUPKJPK-CQSZACIVSA-N 0 0 389.406 3.380 20 30 GGEDRN C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ccc(Cl)s1 ZINC000121907878 1414302487 /nfs/dbraw/zinc/30/24/87/1414302487.db2.gz XWOTXMYGGGALAE-VXGBXAGGSA-N 0 0 383.901 3.476 20 30 GGEDRN N#Cc1cccc(NCC(=O)NCc2cccc(COCC(F)(F)F)c2)c1 ZINC000121907859 1414302558 /nfs/dbraw/zinc/30/25/58/1414302558.db2.gz FXFWIHUYOZHBKL-UHFFFAOYSA-N 0 0 377.366 3.365 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC2CCCCCCC2)cc1 ZINC000121913058 1414304152 /nfs/dbraw/zinc/30/41/52/1414304152.db2.gz UXTIOTCXRGSZON-UHFFFAOYSA-N 0 0 386.496 3.409 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)CCCc3nc(C4CC4)no3)C2)c(F)c1 ZINC000121911960 1414304413 /nfs/dbraw/zinc/30/44/13/1414304413.db2.gz AUTMYAUHJFCGBG-INIZCTEOSA-N 0 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ZINC000122017620 1414341483 /nfs/dbraw/zinc/34/14/83/1414341483.db2.gz YGRKSJPMGMTKER-UHFFFAOYSA-N 0 0 391.214 3.401 20 30 GGEDRN COc1ccc(OC(F)F)c(CNC(=O)NCc2cc(C#N)ccc2F)c1 ZINC000122039664 1414346027 /nfs/dbraw/zinc/34/60/27/1414346027.db2.gz BWPCRCYNWPHQNC-UHFFFAOYSA-N 0 0 379.338 3.307 20 30 GGEDRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NC2(C#N)CCCC2)cc1 ZINC000122041239 1414346259 /nfs/dbraw/zinc/34/62/59/1414346259.db2.gz NMBDEPLWCCNSPD-UHFFFAOYSA-N 0 0 389.521 3.206 20 30 GGEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@H](C)c2ccccc2)c1 ZINC000122050579 1414349757 /nfs/dbraw/zinc/34/97/57/1414349757.db2.gz BSBMIJYEXPGYFA-IBGZPJMESA-N 0 0 390.483 3.054 20 30 GGEDRN Cc1c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cnn1C1CCCC1 ZINC000122053424 1414349962 /nfs/dbraw/zinc/34/99/62/1414349962.db2.gz CFKSCNJLGRHWLR-HXUWFJFHSA-N 0 0 377.492 3.157 20 30 GGEDRN COc1ccc(C)cc1N1C[C@H](C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)CC1=O ZINC000122053904 1414350725 /nfs/dbraw/zinc/35/07/25/1414350725.db2.gz MZKDNSGDAVOMMM-CABCVRRESA-N 0 0 388.427 3.109 20 30 GGEDRN N#C[C@@H](C(=O)CCC(=O)CCC(=O)c1cccs1)c1nnc2n1CCCCC2 ZINC000122062211 1414352866 /nfs/dbraw/zinc/35/28/66/1414352866.db2.gz HJCIERWFUHSSSS-HNNXBMFYSA-N 0 0 398.488 3.255 20 30 GGEDRN Cc1c(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cccc1[N+](=O)[O-] ZINC000122067260 1414354322 /nfs/dbraw/zinc/35/43/22/1414354322.db2.gz JYOUUJZSPNMNFX-KRWDZBQOSA-N 0 0 396.422 3.242 20 30 GGEDRN C=CCc1cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc(OC)c1OC ZINC000122073716 1414355389 /nfs/dbraw/zinc/35/53/89/1414355389.db2.gz RGLKTGYEYDGPMP-MRXNPFEDSA-N 0 0 380.448 3.240 20 30 GGEDRN N#Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1Cl ZINC000122089028 1414360001 /nfs/dbraw/zinc/36/00/01/1414360001.db2.gz HIXMSCFIDBLBDL-UHFFFAOYSA-N 0 0 386.795 3.209 20 30 GGEDRN Cc1cc(NC(=O)C2(C#N)CCOCC2)nn1CCCOc1ccc(F)cc1 ZINC000122096358 1414362222 /nfs/dbraw/zinc/36/22/22/1414362222.db2.gz XGPANIQEZVVXIA-UHFFFAOYSA-N 0 0 386.427 3.059 20 30 GGEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000122102887 1414362993 /nfs/dbraw/zinc/36/29/93/1414362993.db2.gz POPRLOQLOKQGCQ-UHFFFAOYSA-N 0 0 378.325 3.219 20 30 GGEDRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc2)C1 ZINC000122106007 1414363648 /nfs/dbraw/zinc/36/36/48/1414363648.db2.gz VIJXUARKJLJCJQ-DAYGRLMNSA-N 0 0 391.537 3.021 20 30 GGEDRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000122106087 1414363732 /nfs/dbraw/zinc/36/37/32/1414363732.db2.gz FNGMQDHUWPUFPH-RDJZCZTQSA-N 0 0 389.448 3.161 20 30 GGEDRN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000122104092 1414364117 /nfs/dbraw/zinc/36/41/17/1414364117.db2.gz YLYXYPVPEFOKMA-JSGCOSHPSA-N 0 0 394.381 3.081 20 30 GGEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)c2csc(-c3ccccc3F)n2)c1 ZINC000122110327 1414364298 /nfs/dbraw/zinc/36/42/98/1414364298.db2.gz DDSXMKGPCKCEQN-UHFFFAOYSA-N 0 0 393.443 3.323 20 30 GGEDRN CN(C(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 ZINC000122115150 1414366000 /nfs/dbraw/zinc/36/60/00/1414366000.db2.gz JGPFNMOICQDPQE-UHFFFAOYSA-N 0 0 399.516 3.187 20 30 GGEDRN N#Cc1ccc(CN(C(=O)c2cn(Cc3cccc(F)c3)nn2)C2CC2)cc1 ZINC000177579256 1428802167 /nfs/dbraw/zinc/80/21/67/1428802167.db2.gz WYBOITJYTRKTQC-UHFFFAOYSA-N 0 0 375.407 3.142 20 30 GGEDRN C#CCOc1ccc(C(=O)Nc2ccc(NS(=O)(=O)CCCC)cc2)cc1 ZINC000122129540 1414369395 /nfs/dbraw/zinc/36/93/95/1414369395.db2.gz FZQMMAQGSMSUAM-UHFFFAOYSA-N 0 0 386.473 3.493 20 30 GGEDRN Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc3c(cc2C#N)CCCC3)cc1[N+](=O)[O-] ZINC000122133292 1414370353 /nfs/dbraw/zinc/37/03/53/1414370353.db2.gz IQBONUNSUXOKOU-UHFFFAOYSA-N 0 0 381.348 3.209 20 30 GGEDRN CC1=NN(c2ccc(C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)cc2)CC1 ZINC000122142878 1414372296 /nfs/dbraw/zinc/37/22/96/1414372296.db2.gz WXOFLQIUVVIOAD-JOCHJYFZSA-N 0 0 387.487 3.295 20 30 GGEDRN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)CCCNC(=O)NC1CCCCC1 ZINC000122156413 1414375600 /nfs/dbraw/zinc/37/56/00/1414375600.db2.gz UUOMMTMMNPHBLX-INIZCTEOSA-N 0 0 381.480 3.162 20 30 GGEDRN Cc1cc(F)c(S(=O)(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1F ZINC000122165866 1414377743 /nfs/dbraw/zinc/37/77/43/1414377743.db2.gz NUAJOORFFQDEHA-UHFFFAOYSA-N 0 0 392.427 3.377 20 30 GGEDRN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)CCCNC(=O)c1ccc(F)cc1F ZINC000122164566 1414377870 /nfs/dbraw/zinc/37/78/70/1414377870.db2.gz SAGFWQMAPHLAAA-HNNXBMFYSA-N 0 0 396.397 3.238 20 30 GGEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)Cc2csc(-c3cccs3)n2)c1 ZINC000122167447 1414378724 /nfs/dbraw/zinc/37/87/24/1414378724.db2.gz QJQAZVMZAIYWJH-UHFFFAOYSA-N 0 0 395.509 3.175 20 30 GGEDRN CCc1c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cnn1-c1ccccc1 ZINC000122174960 1414380228 /nfs/dbraw/zinc/38/02/28/1414380228.db2.gz SCXMZLGAVSNNLW-QHCPKHFHSA-N 0 0 399.498 3.457 20 30 GGEDRN CC[C@@H](C#N)OC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000122181673 1414381862 /nfs/dbraw/zinc/38/18/62/1414381862.db2.gz BJJFSXQKSYHUTC-INIZCTEOSA-N 0 0 376.409 3.394 20 30 GGEDRN Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(F)cc2C#N)cs1 ZINC000177586711 1428803865 /nfs/dbraw/zinc/80/38/65/1428803865.db2.gz CQCAXGYDVMDEGG-UHFFFAOYSA-N 0 0 384.392 3.489 20 30 GGEDRN Cn1c2ccccc2nc1[C@H](C#N)C(=O)CCc1nc(-c2ccsc2)no1 ZINC000122197806 1414385824 /nfs/dbraw/zinc/38/58/24/1414385824.db2.gz GNDLRFNFEKSEHT-CYBMUJFWSA-N 0 0 377.429 3.494 20 30 GGEDRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C#N)C(C)(C)C)c2)c1 ZINC000122199979 1414386805 /nfs/dbraw/zinc/38/68/05/1414386805.db2.gz LGKJOVJVUQGBOH-GOSISDBHSA-N 0 0 385.489 3.464 20 30 GGEDRN O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000122213812 1414390806 /nfs/dbraw/zinc/39/08/06/1414390806.db2.gz TXGQYVXNBDZLRE-HXUWFJFHSA-N 0 0 377.440 3.017 20 30 GGEDRN C#CCOCCC(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C[C@H]1C ZINC000122216476 1414391459 /nfs/dbraw/zinc/39/14/59/1414391459.db2.gz WBTHVYYEHXVWOJ-GOSISDBHSA-N 0 0 376.456 3.385 20 30 GGEDRN CCc1c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)[nH]c(C)c1C(C)=O ZINC000122217524 1414392325 /nfs/dbraw/zinc/39/23/25/1414392325.db2.gz ZTTGQAWUGFTPGZ-IBGZPJMESA-N 0 0 378.476 3.111 20 30 GGEDRN CCc1c(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)[nH]c(C)c1C(C)=O ZINC000122217743 1414392418 /nfs/dbraw/zinc/39/24/18/1414392418.db2.gz ZTTGQAWUGFTPGZ-LJQANCHMSA-N 0 0 378.476 3.111 20 30 GGEDRN CNC(=O)c1ccc(/C=C/C(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000122225915 1414394265 /nfs/dbraw/zinc/39/42/65/1414394265.db2.gz MQTLQXCWKPIXOO-LFYBBSHMSA-N 0 0 380.835 3.485 20 30 GGEDRN N#Cc1ccccc1OCc1ccc(C(=O)NCc2cn(-c3ccccc3)nn2)o1 ZINC000122235511 1414397228 /nfs/dbraw/zinc/39/72/28/1414397228.db2.gz LPRWKIAQZBZMQQ-UHFFFAOYSA-N 0 0 399.410 3.241 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N[C@](C)(C#N)C(C)C ZINC000122248402 1414400379 /nfs/dbraw/zinc/40/03/79/1414400379.db2.gz FEOQGXLLXDGYHZ-OXJNMPFZSA-N 0 0 391.537 3.226 20 30 GGEDRN C[C@@H]1Cc2cc(-c3ccc(CNC(=O)N4CCO[C@H](C#N)C4)cc3)ccc2O1 ZINC000122251458 1414402116 /nfs/dbraw/zinc/40/21/16/1414402116.db2.gz BIZJMYJDSAOIIM-FOIQADDNSA-N 0 0 377.444 3.111 20 30 GGEDRN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000122257841 1414403400 /nfs/dbraw/zinc/40/34/00/1414403400.db2.gz OAKMCJDXJUJMLJ-KGLIPLIRSA-N 0 0 392.846 3.456 20 30 GGEDRN CCc1ccccc1N1C[C@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C)CC1=O ZINC000122263264 1414405268 /nfs/dbraw/zinc/40/52/68/1414405268.db2.gz HCJVRAPNFJJBGI-SJORKVTESA-N 0 0 386.455 3.365 20 30 GGEDRN CCc1ccccc1N1C[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3n2C)CC1=O ZINC000122263006 1414405561 /nfs/dbraw/zinc/40/55/61/1414405561.db2.gz HCJVRAPNFJJBGI-DLBZAZTESA-N 0 0 386.455 3.365 20 30 GGEDRN N#CCCn1ccc(NC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)n1 ZINC000122273009 1414407364 /nfs/dbraw/zinc/40/73/64/1414407364.db2.gz NQRGPHKAWSPOGQ-UHFFFAOYSA-N 0 0 395.463 3.223 20 30 GGEDRN C=CCc1ccc(OC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)c(OC)c1 ZINC000177591897 1428805590 /nfs/dbraw/zinc/80/55/90/1428805590.db2.gz NLMFKSQVACZTKD-UHFFFAOYSA-N 0 0 397.475 3.288 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC=C2C(=O)NC(=O)c3ccccc32)cc1 ZINC000122286453 1414412386 /nfs/dbraw/zinc/41/23/86/1414412386.db2.gz RPBHXYBWOHOQNR-HMMYKYKNSA-N 0 0 387.439 3.224 20 30 GGEDRN CCc1ccc(OC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c(OC)c1 ZINC000122286236 1414412518 /nfs/dbraw/zinc/41/25/18/1414412518.db2.gz ZKVITNXTUOABMY-UHFFFAOYSA-N 0 0 378.432 3.327 20 30 GGEDRN CCCNC(=O)c1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(CC)cc2)c1 ZINC000122292202 1414414626 /nfs/dbraw/zinc/41/46/26/1414414626.db2.gz QTLXOYOUNCWJFP-IBGZPJMESA-N 0 0 377.444 3.350 20 30 GGEDRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N[C@@](C)(C#N)C(C)C)cc2)c1C ZINC000122311924 1414420490 /nfs/dbraw/zinc/42/04/90/1414420490.db2.gz ALHOBDDWJPPHMP-QFIPXVFZSA-N 0 0 396.491 3.263 20 30 GGEDRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N[C@](C)(C#N)C(C)C)cc2)c1C ZINC000122312118 1414420581 /nfs/dbraw/zinc/42/05/81/1414420581.db2.gz ALHOBDDWJPPHMP-JOCHJYFZSA-N 0 0 396.491 3.263 20 30 GGEDRN CC(C)(C)[C@@H](C#N)NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000122313262 1414421342 /nfs/dbraw/zinc/42/13/42/1414421342.db2.gz PLFGHTLLZRVMFU-XJKSGUPXSA-N 0 0 393.434 3.195 20 30 GGEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@H](O)c1ccc(F)cc1 ZINC000122315553 1414421872 /nfs/dbraw/zinc/42/18/72/1414421872.db2.gz OENBOQCYKJDWRL-KRWDZBQOSA-N 0 0 380.341 3.229 20 30 GGEDRN Cc1cccc2c(CC(=O)[C@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)c[nH]c21 ZINC000122317258 1414421901 /nfs/dbraw/zinc/42/19/01/1414421901.db2.gz FUOIKFXKUARGHA-KRWDZBQOSA-N 0 0 389.411 3.138 20 30 GGEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H]1C=CCCC1 ZINC000122316175 1414422065 /nfs/dbraw/zinc/42/20/65/1414422065.db2.gz HESQPIADJASHOA-INIZCTEOSA-N 0 0 376.416 3.217 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000122330845 1414425715 /nfs/dbraw/zinc/42/57/15/1414425715.db2.gz LDFGLGHMEVWLLP-HXUWFJFHSA-N 0 0 391.537 3.308 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000122331085 1414425905 /nfs/dbraw/zinc/42/59/05/1414425905.db2.gz LDFGLGHMEVWLLP-FQEVSTJZSA-N 0 0 391.537 3.308 20 30 GGEDRN CC(C)N(C(=O)Cc1cccc(OCC#N)c1)c1ccc(N2CCOCC2)cc1 ZINC000122341056 1414428513 /nfs/dbraw/zinc/42/85/13/1414428513.db2.gz LJVOTHAMBKRPHE-UHFFFAOYSA-N 0 0 393.487 3.410 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000122342320 1414428894 /nfs/dbraw/zinc/42/88/94/1414428894.db2.gz MTSWEFUPHZXAJS-HBGVWJBISA-N 0 0 384.476 3.190 20 30 GGEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nnc(C(C)C)o2)cc1Cl ZINC000177601750 1428808044 /nfs/dbraw/zinc/80/80/44/1428808044.db2.gz OBWWMYVDOKAXHZ-LBPRGKRZSA-N 0 0 390.827 3.135 20 30 GGEDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000122362175 1414435124 /nfs/dbraw/zinc/43/51/24/1414435124.db2.gz LKHHPOOCEHRDBW-UHFFFAOYSA-N 0 0 384.435 3.389 20 30 GGEDRN CS(=O)(=O)CC1(CC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)CC1 ZINC000177605553 1428808607 /nfs/dbraw/zinc/80/86/07/1428808607.db2.gz HRBDPIBWAAWFIS-NSHDSACASA-N 0 0 382.894 3.341 20 30 GGEDRN CC(C)(C)[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000122390266 1414443953 /nfs/dbraw/zinc/44/39/53/1414443953.db2.gz QKQKRCIPRVEZGZ-KRWDZBQOSA-N 0 0 389.452 3.295 20 30 GGEDRN CC(C)(C)[C@H](C#N)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000122389700 1414444272 /nfs/dbraw/zinc/44/42/72/1414444272.db2.gz BAKWSVSJPVVMQG-KRWDZBQOSA-N 0 0 389.452 3.295 20 30 GGEDRN CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000122408402 1414449424 /nfs/dbraw/zinc/44/94/24/1414449424.db2.gz WVVKRAARQZFXHD-GOSISDBHSA-N 0 0 375.428 3.151 20 30 GGEDRN CC(C)(C)[C@H](C#N)NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000122408630 1414449492 /nfs/dbraw/zinc/44/94/92/1414449492.db2.gz WVVKRAARQZFXHD-SFHVURJKSA-N 0 0 375.428 3.151 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C[C@H]2CCC[C@@H](C)C2)cc1OC ZINC000122417963 1414453285 /nfs/dbraw/zinc/45/32/85/1414453285.db2.gz GEHQEYLOZFDXON-BPQIPLTHSA-N 0 0 386.492 3.288 20 30 GGEDRN CC(C)CNC(=O)N1CCC[C@@H](C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)C1 ZINC000122420037 1414453968 /nfs/dbraw/zinc/45/39/68/1414453968.db2.gz SKMAGFNCAUQVRG-QZTJIDSGSA-N 0 0 389.471 3.129 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)c2ccc(-c3n[nH]c(CC)n3)cc2)cc1 ZINC000122419578 1414454383 /nfs/dbraw/zinc/45/43/83/1414454383.db2.gz UTZWITYSJATIPB-UHFFFAOYSA-N 0 0 375.432 3.202 20 30 GGEDRN C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nc(-c2nc[nH]n2)no1 ZINC000122427820 1414456495 /nfs/dbraw/zinc/45/64/95/1414456495.db2.gz KFHSDXIOIUIICG-LBPRGKRZSA-N 0 0 394.464 3.076 20 30 GGEDRN C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc(-c2nc[nH]n2)no1 ZINC000122428015 1414456656 /nfs/dbraw/zinc/45/66/56/1414456656.db2.gz KFHSDXIOIUIICG-GFCCVEGCSA-N 0 0 394.464 3.076 20 30 GGEDRN CC(C)(C)[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000122438761 1414460597 /nfs/dbraw/zinc/46/05/97/1414460597.db2.gz DRZSYGYHPKGECQ-KRWDZBQOSA-N 0 0 389.452 3.295 20 30 GGEDRN COc1ccc(CC(=O)NCc2ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc2)cc1 ZINC000122452544 1414464955 /nfs/dbraw/zinc/46/49/55/1414464955.db2.gz SGRDLTGWGYAJMH-HXUWFJFHSA-N 0 0 393.487 3.222 20 30 GGEDRN COc1ccc(N2C[C@H](C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2=O)cc1 ZINC000122452646 1414465111 /nfs/dbraw/zinc/46/51/11/1414465111.db2.gz OBBWCTBETMXMTB-OAHLLOKOSA-N 0 0 380.448 3.115 20 30 GGEDRN COc1cc(C#N)ccc1OCCN(c1ccccc1F)S(=O)(=O)C(C)C ZINC000122456749 1414466593 /nfs/dbraw/zinc/46/65/93/1414466593.db2.gz QORYXALGYZSFGC-UHFFFAOYSA-N 0 0 392.452 3.330 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000122470184 1414471755 /nfs/dbraw/zinc/47/17/55/1414471755.db2.gz PCOQVZDUJPGQNT-UHFFFAOYSA-N 0 0 378.432 3.016 20 30 GGEDRN CCCc1nc(C(=O)N(CCC#N)CC(F)(F)F)nn1-c1ccccc1F ZINC000177613601 1428811163 /nfs/dbraw/zinc/81/11/63/1428811163.db2.gz BEGAFOFEOQGKGN-UHFFFAOYSA-N 0 0 383.349 3.277 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000122476998 1414474673 /nfs/dbraw/zinc/47/46/73/1414474673.db2.gz GPILZFMVKKJJAN-HKUYNNGSSA-N 0 0 380.444 3.230 20 30 GGEDRN C#CCOCCC(=O)Nc1c(Br)cc(F)cc1Br ZINC000122480421 1414476087 /nfs/dbraw/zinc/47/60/87/1414476087.db2.gz RAMUCLZSLNZQFW-UHFFFAOYSA-N 0 0 379.023 3.329 20 30 GGEDRN Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2cc(C#N)cn2C(C)(C)C)no1 ZINC000122483204 1414476962 /nfs/dbraw/zinc/47/69/62/1414476962.db2.gz CGUPSTKYTJIWJG-LBPRGKRZSA-N 0 0 389.481 3.110 20 30 GGEDRN COc1cc2c(cc1OC)CN(C(=O)CNc1ccc(Cl)c(C#N)c1)CC2 ZINC000122486251 1414477818 /nfs/dbraw/zinc/47/78/18/1414477818.db2.gz UFJFYLPRXLFWMC-UHFFFAOYSA-N 0 0 385.851 3.226 20 30 GGEDRN C=CCn1c(S[C@@H](C)C(=O)NC[C@H]2CCCO2)nnc1-c1ccc(C)cc1 ZINC000122490671 1414479631 /nfs/dbraw/zinc/47/96/31/1414479631.db2.gz CQCBRDRVCWAVMK-DOTOQJQBSA-N 0 0 386.521 3.215 20 30 GGEDRN C=CCn1c(SCC(=O)N[C@@H](C(C)=O)C(C)C)nnc1-c1ccc(C)cc1 ZINC000122493774 1414480336 /nfs/dbraw/zinc/48/03/36/1414480336.db2.gz IYBWDIKKUZTNAD-GOSISDBHSA-N 0 0 386.521 3.261 20 30 GGEDRN CCOC(=O)c1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)CC(F)F)cc2)o1 ZINC000177616073 1428811669 /nfs/dbraw/zinc/81/16/69/1428811669.db2.gz JTLQVUOJTLGDQP-WEVVVXLNSA-N 0 0 398.383 3.391 20 30 GGEDRN COCCOc1ccccc1/C=C/C(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000177615987 1428811717 /nfs/dbraw/zinc/81/17/17/1428811717.db2.gz DFECIKQHAHNWNM-VQHVLOKHSA-N 0 0 378.421 3.151 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1C(F)(F)F ZINC000177618895 1428812720 /nfs/dbraw/zinc/81/27/20/1428812720.db2.gz UYWYNRLEOZNJFS-UHFFFAOYSA-N 0 0 384.335 3.149 20 30 GGEDRN C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(Cc2cc(F)ccc2C#N)C1=O ZINC000122523388 1414489967 /nfs/dbraw/zinc/48/99/67/1414489967.db2.gz LAUZTCDGQAHBRU-SFHVURJKSA-N 0 0 375.762 3.457 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000122535600 1414492590 /nfs/dbraw/zinc/49/25/90/1414492590.db2.gz ZOZUCFZPUYYYCX-MOPGFXCFSA-N 0 0 398.434 3.199 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000122536047 1414492768 /nfs/dbraw/zinc/49/27/68/1414492768.db2.gz ZOZUCFZPUYYYCX-RTBURBONSA-N 0 0 398.434 3.199 20 30 GGEDRN COc1ccc(CN2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)cc1F ZINC000122535466 1414492898 /nfs/dbraw/zinc/49/28/98/1414492898.db2.gz LWYDKLDKTZODGK-UHFFFAOYSA-N 0 0 387.842 3.317 20 30 GGEDRN CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000177620393 1428813031 /nfs/dbraw/zinc/81/30/31/1428813031.db2.gz FSOACCPQHVWELP-UHFFFAOYSA-N 0 0 397.378 3.080 20 30 GGEDRN CC(C)[C@@H](NC(=O)Cc1cccc(OCC#N)c1)c1nc(-c2ccncc2)no1 ZINC000122539885 1414494286 /nfs/dbraw/zinc/49/42/86/1414494286.db2.gz OWGWOWGXMJRBKW-LJQANCHMSA-N 0 0 391.431 3.090 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000122543673 1414495069 /nfs/dbraw/zinc/49/50/69/1414495069.db2.gz BVVDROVNUQSLCP-UHFFFAOYSA-N 0 0 391.431 3.004 20 30 GGEDRN N#CCCN(CC(F)(F)F)C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000177621032 1428813114 /nfs/dbraw/zinc/81/31/14/1428813114.db2.gz MCHXWVIDUNJTLZ-UHFFFAOYSA-N 0 0 391.275 3.204 20 30 GGEDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CON=C(N)c1ccc(C)c(F)c1 ZINC000122557443 1414499801 /nfs/dbraw/zinc/49/98/01/1414499801.db2.gz MSQJRLQEOSUECN-UHFFFAOYSA-N 0 0 395.438 3.212 20 30 GGEDRN C[C@H](ONC(N)=CC(=O)Nc1ccccc1Cl)C(=O)N(C)c1ccccc1 ZINC000122572708 1414504561 /nfs/dbraw/zinc/50/45/61/1414504561.db2.gz QTAWCGKJJASQPZ-ZDUSSCGKSA-N 0 0 388.855 3.009 20 30 GGEDRN C=CCn1c(SCC(=O)NCC[C@H](O)CC)nnc1-c1ccc(Cl)cc1 ZINC000122576561 1414505832 /nfs/dbraw/zinc/50/58/32/1414505832.db2.gz QHHAXRZBKIADIU-OAHLLOKOSA-N 0 0 394.928 3.154 20 30 GGEDRN C=CCn1c(-c2ccncc2)nn(CN2CCC(c3nc(C)no3)CC2)c1=S ZINC000122607802 1414515790 /nfs/dbraw/zinc/51/57/90/1414515790.db2.gz ZSBKSJAAIWUCMR-UHFFFAOYSA-N 0 0 397.508 3.191 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)NCc2ccn3ccnc3c2)ccc1OC ZINC000177625441 1428814914 /nfs/dbraw/zinc/81/49/14/1428814914.db2.gz MQLCQHGCEYGEAK-KRWDZBQOSA-N 0 0 393.447 3.023 20 30 GGEDRN COCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177625805 1428814938 /nfs/dbraw/zinc/81/49/38/1428814938.db2.gz HWPZJKPKJFHSIM-UHFFFAOYSA-N 0 0 398.406 3.414 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Oc2cc(F)ccc2[N+](=O)[O-])cc1C(F)(F)F ZINC000177625301 1428815001 /nfs/dbraw/zinc/81/50/01/1428815001.db2.gz OXCQMBIYZQIFHO-UHFFFAOYSA-N 0 0 390.270 3.392 20 30 GGEDRN C=CCNc1ncc(C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)s1 ZINC000122629830 1414523112 /nfs/dbraw/zinc/52/31/12/1414523112.db2.gz JLZVHARGIZKUHI-OLZOCXBDSA-N 0 0 380.514 3.307 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OS(=O)(=O)C[C@H](C)CC ZINC000122637311 1414525134 /nfs/dbraw/zinc/52/51/34/1414525134.db2.gz NSVJVEMETULIRL-SNVBAGLBSA-N 0 0 376.272 3.474 20 30 GGEDRN N#CCCN(Cc1cccnc1)C(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000122660825 1414531513 /nfs/dbraw/zinc/53/15/13/1414531513.db2.gz SDGZYCMHHCIYHE-UHFFFAOYSA-N 0 0 394.519 3.047 20 30 GGEDRN C#CCOc1ccc(C(=O)N(CCOC)c2cccc(Br)n2)cc1 ZINC000122665767 1414532911 /nfs/dbraw/zinc/53/29/11/1414532911.db2.gz FGAGYSHAEWJOTO-UHFFFAOYSA-N 0 0 389.249 3.149 20 30 GGEDRN N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@@H]3C=CCCC3)c2)cc1 ZINC000122665366 1414533050 /nfs/dbraw/zinc/53/30/50/1414533050.db2.gz IYHWCHGSFPPGLD-LJQANCHMSA-N 0 0 389.455 3.495 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)Oc1ccc(OCC(F)(F)F)cc1 ZINC000122666489 1414533388 /nfs/dbraw/zinc/53/33/88/1414533388.db2.gz PMPTXMMWCZTUGC-UHFFFAOYSA-N 0 0 375.299 3.406 20 30 GGEDRN COCc1ccc(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000177628757 1428815870 /nfs/dbraw/zinc/81/58/70/1428815870.db2.gz MUDLIHQHLJDFPD-UHFFFAOYSA-N 0 0 384.379 3.202 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177628416 1428815906 /nfs/dbraw/zinc/81/59/06/1428815906.db2.gz RXNJQTBFXXKLDA-UHFFFAOYSA-N 0 0 379.363 3.269 20 30 GGEDRN C[C@@H](C[C@H](O)c1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000122676094 1414535729 /nfs/dbraw/zinc/53/57/29/1414535729.db2.gz HFDCDISUHLKBEC-LRDDRELGSA-N 0 0 398.406 3.368 20 30 GGEDRN COc1cccc(C(C)(C)CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c1 ZINC000122705635 1414543838 /nfs/dbraw/zinc/54/38/38/1414543838.db2.gz FUZDWUKALISAON-UHFFFAOYSA-N 0 0 389.459 3.042 20 30 GGEDRN C=CCn1c(COc2ccccc2)nnc1S[C@H](C(N)=O)c1ccccc1 ZINC000122711298 1414544794 /nfs/dbraw/zinc/54/47/94/1414544794.db2.gz OKCBQQYVYOXDNB-SFHVURJKSA-N 0 0 380.473 3.362 20 30 GGEDRN CCCN(CC(=O)Nc1ccccc1C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000122716039 1414547022 /nfs/dbraw/zinc/54/70/22/1414547022.db2.gz WEHXYZQPDLNEQA-GOSISDBHSA-N 0 0 396.516 3.384 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)Cn1ncn(-c2ccccc2)c1=S ZINC000122718362 1414547552 /nfs/dbraw/zinc/54/75/52/1414547552.db2.gz KIALEKUWSWEQCA-UHFFFAOYSA-N 0 0 379.489 3.381 20 30 GGEDRN Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)cc1F ZINC000122718531 1414547675 /nfs/dbraw/zinc/54/76/75/1414547675.db2.gz XKLQZROSGXLRTL-INIZCTEOSA-N 0 0 394.450 3.234 20 30 GGEDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(C#N)cc1 ZINC000122721605 1414548520 /nfs/dbraw/zinc/54/85/20/1414548520.db2.gz BPVVVQYHLWLUNY-OAHLLOKOSA-N 0 0 396.466 3.219 20 30 GGEDRN N#CCCN(C(=O)CN1CCN(c2cc(F)ccc2F)CC1)c1ccccc1 ZINC000177633554 1428817610 /nfs/dbraw/zinc/81/76/10/1428817610.db2.gz FDENIXZIPJZLLF-UHFFFAOYSA-N 0 0 384.430 3.034 20 30 GGEDRN N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000122746512 1414555187 /nfs/dbraw/zinc/55/51/87/1414555187.db2.gz HKPGPOSTLGMDTG-KRWDZBQOSA-N 0 0 397.862 3.011 20 30 GGEDRN C=CCN(CC=C)CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000122750616 1414555874 /nfs/dbraw/zinc/55/58/74/1414555874.db2.gz FDEUEJJJOGVETP-UHFFFAOYSA-N 0 0 399.516 3.124 20 30 GGEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000122758881 1414557455 /nfs/dbraw/zinc/55/74/55/1414557455.db2.gz ABKHJEJQKXWSAK-UHFFFAOYSA-N 0 0 392.375 3.090 20 30 GGEDRN CN1C(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2C1=O ZINC000122766157 1414559611 /nfs/dbraw/zinc/55/96/11/1414559611.db2.gz XSGYOWJEPVMPMJ-UHFFFAOYSA-N 0 0 379.441 3.367 20 30 GGEDRN C#CCCCNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000177635700 1428818207 /nfs/dbraw/zinc/81/82/07/1428818207.db2.gz GOIBJJDICHMFLI-UHFFFAOYSA-N 0 0 378.314 3.126 20 30 GGEDRN C[C@@H]1CC[C@H](CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 ZINC000177635560 1428818225 /nfs/dbraw/zinc/81/82/25/1428818225.db2.gz JIDBCRNRPNFHGA-WKUDHBJBSA-N 0 0 377.510 3.264 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000177652473 1428823066 /nfs/dbraw/zinc/82/30/66/1428823066.db2.gz ICGIOIXROFNDPP-QGZVFWFLSA-N 0 0 393.413 3.388 20 30 GGEDRN C=C(C)CN(CC)C(=O)CS(=O)(=O)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000122787963 1414565195 /nfs/dbraw/zinc/56/51/95/1414565195.db2.gz YGTPQPLVZSYMQY-UHFFFAOYSA-N 0 0 379.522 3.154 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 ZINC000122795600 1414566965 /nfs/dbraw/zinc/56/69/65/1414566965.db2.gz FTGKZZJIUFOMNV-UHFFFAOYSA-N 0 0 398.375 3.288 20 30 GGEDRN Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)Cc2ccc(OCC#N)cc2)o1 ZINC000122797366 1414567312 /nfs/dbraw/zinc/56/73/12/1414567312.db2.gz RQNYIVRCRAOQBW-FQEVSTJZSA-N 0 0 388.427 3.149 20 30 GGEDRN C[C@@H](NC(=O)Nc1cccc(C#N)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000122799457 1414567466 /nfs/dbraw/zinc/56/74/66/1414567466.db2.gz WLEVFVACEHAWTE-OAHLLOKOSA-N 0 0 377.448 3.307 20 30 GGEDRN C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000122797684 1414567481 /nfs/dbraw/zinc/56/74/81/1414567481.db2.gz XPEULSNBXJCVRB-KRWDZBQOSA-N 0 0 391.471 3.115 20 30 GGEDRN C=CCN(CC(=O)OCC)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 ZINC000122798729 1414567487 /nfs/dbraw/zinc/56/74/87/1414567487.db2.gz FFVXFAHDBBUUHA-UHFFFAOYSA-N 0 0 375.856 3.334 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000122807454 1414569746 /nfs/dbraw/zinc/56/97/46/1414569746.db2.gz AUHSZVINTRNGRS-MRXNPFEDSA-N 0 0 376.460 3.283 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)c3ccccc3F)c(C#N)c2N)cc1 ZINC000122813979 1414571045 /nfs/dbraw/zinc/57/10/45/1414571045.db2.gz DRMTWHYLTCXKLS-UHFFFAOYSA-N 0 0 377.423 3.136 20 30 GGEDRN CCn1c(S[C@H]2CCN(c3sccc3C#N)C2=O)nnc1-c1cccnc1 ZINC000122814155 1414571060 /nfs/dbraw/zinc/57/10/60/1414571060.db2.gz HTKAYZAMSICCSJ-AWEZNQCLSA-N 0 0 396.501 3.191 20 30 GGEDRN COc1cc(C#N)ccc1OCCSCc1cc(=O)n2c(C)csc2n1 ZINC000122817738 1414572526 /nfs/dbraw/zinc/57/25/26/1414572526.db2.gz VFFRLKGPDBTZFI-UHFFFAOYSA-N 0 0 387.486 3.257 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)c3ccc(Cl)nc3)c(C#N)c2N)cc1 ZINC000122823026 1414573600 /nfs/dbraw/zinc/57/36/00/1414573600.db2.gz UOXXORFDFZLJGE-UHFFFAOYSA-N 0 0 394.866 3.046 20 30 GGEDRN C=CCN(CC(=O)OCC)C(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC000122821369 1414573769 /nfs/dbraw/zinc/57/37/69/1414573769.db2.gz SNXRGEKQQMSWHK-UHFFFAOYSA-N 0 0 376.434 3.093 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)c3ccc(Cl)o3)c(C#N)c2N)cc1 ZINC000122826791 1414574954 /nfs/dbraw/zinc/57/49/54/1414574954.db2.gz LSTHKAFHEREZGB-UHFFFAOYSA-N 0 0 383.839 3.244 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)c3ccnc(Cl)c3)c(C#N)c2N)cc1 ZINC000122829210 1414575241 /nfs/dbraw/zinc/57/52/41/1414575241.db2.gz GEVICGFHDNPCNT-UHFFFAOYSA-N 0 0 394.866 3.046 20 30 GGEDRN Cn1c2ccccc2nc1[C@H](C#N)C(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000122843395 1414578636 /nfs/dbraw/zinc/57/86/36/1414578636.db2.gz AOMSVNNJAUCKJM-OAHLLOKOSA-N 0 0 389.411 3.184 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000122849555 1414579886 /nfs/dbraw/zinc/57/98/86/1414579886.db2.gz PXWLBQCNSWAKFX-UHFFFAOYSA-N 0 0 392.375 3.277 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CCCNC(=O)c1cccnc1 ZINC000122855174 1414581565 /nfs/dbraw/zinc/58/15/65/1414581565.db2.gz WWBZSBUWYYICJL-HNNXBMFYSA-N 0 0 382.489 3.482 20 30 GGEDRN CN([C@@H](CCO)c1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000122855678 1414581589 /nfs/dbraw/zinc/58/15/89/1414581589.db2.gz MGNRSDOKYUQVNR-INIZCTEOSA-N 0 0 398.406 3.321 20 30 GGEDRN CCn1c(SCC(=O)N(CC#N)c2ccccc2)nnc1-c1cccnc1 ZINC000122859114 1414582025 /nfs/dbraw/zinc/58/20/25/1414582025.db2.gz BXZHKCHHKUMILM-UHFFFAOYSA-N 0 0 378.461 3.009 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N(Cc2ccccc2)CC(F)F)ccc1Cl ZINC000122864302 1414583677 /nfs/dbraw/zinc/58/36/77/1414583677.db2.gz GBKGXYSYQWHJGM-UHFFFAOYSA-N 0 0 377.778 3.444 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc(C)oc2C)cc1 ZINC000122873811 1414586379 /nfs/dbraw/zinc/58/63/79/1414586379.db2.gz RPIUJQFIKCFJOE-ZDUSSCGKSA-N 0 0 384.436 3.020 20 30 GGEDRN Cn1ccnc1C(=O)C(C#N)=C(O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000122882392 1414588372 /nfs/dbraw/zinc/58/83/72/1414588372.db2.gz ZXPLWXDTPBHGOV-QUCCMNQESA-N 0 0 397.438 3.319 20 30 GGEDRN O=C(C#Cc1ccc2c(c1)OCO2)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000122886683 1414588779 /nfs/dbraw/zinc/58/87/79/1414588779.db2.gz JLPRYPPHPAJHCR-RBUKOAKNSA-N 0 0 381.403 3.021 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000122911826 1414594960 /nfs/dbraw/zinc/59/49/60/1414594960.db2.gz WWKUAIPZSILRMV-UHFFFAOYSA-N 0 0 389.459 3.039 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)CC(F)F ZINC000122916425 1414596551 /nfs/dbraw/zinc/59/65/51/1414596551.db2.gz NXLIZUASUDYBDD-CQSZACIVSA-N 0 0 387.386 3.210 20 30 GGEDRN C[C@@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C[C@@H]1C ZINC000122926043 1414598861 /nfs/dbraw/zinc/59/88/61/1414598861.db2.gz UVXIJZJEMBCFDH-SQNIBIBYSA-N 0 0 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C#CCSCCNC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000123577399 1414780500 /nfs/dbraw/zinc/78/05/00/1414780500.db2.gz PWHYOGVORJALPI-UHFFFAOYSA-N 0 0 378.853 3.076 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)CCc1nc(-c2ccsc2)no1 ZINC000123582885 1414782607 /nfs/dbraw/zinc/78/26/07/1414782607.db2.gz LHJKWDBDHIKNHN-UHFFFAOYSA-N 0 0 396.472 3.278 20 30 GGEDRN CCn1c(SCC(=O)N(CC#N)c2ccccc2)nnc1-c1ccccn1 ZINC000123586793 1414783880 /nfs/dbraw/zinc/78/38/80/1414783880.db2.gz DYYQRLBCQTXTMS-UHFFFAOYSA-N 0 0 378.461 3.009 20 30 GGEDRN COc1cc(C(=O)OCCNc2ncccc2C#N)sc1Br ZINC000123586289 1414784213 /nfs/dbraw/zinc/78/42/13/1414784213.db2.gz HXDBMSHJEUDCJM-UHFFFAOYSA-N 0 0 382.239 3.055 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1coc(-c2ccccc2)n1 ZINC000123587310 1414785366 /nfs/dbraw/zinc/78/53/66/1414785366.db2.gz BJUPAWCUJYNXOZ-UHFFFAOYSA-N 0 0 375.428 3.431 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)Nc2cccc(C(F)(F)F)n2)CC1 ZINC000123594482 1414787037 /nfs/dbraw/zinc/78/70/37/1414787037.db2.gz GSHPIFVMPYGZCX-UHFFFAOYSA-N 0 0 393.344 3.465 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000123601216 1414790563 /nfs/dbraw/zinc/79/05/63/1414790563.db2.gz WFFCVGBYNCVIRI-UHFFFAOYSA-N 0 0 393.365 3.183 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000123603975 1414791129 /nfs/dbraw/zinc/79/11/29/1414791129.db2.gz OVLIWODGVJHGII-JOCHJYFZSA-N 0 0 394.471 3.405 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nc(C)no2)cc1 ZINC000123605293 1414792612 /nfs/dbraw/zinc/79/26/12/1414792612.db2.gz OOSXGPAPSZFSCS-UHFFFAOYSA-N 0 0 376.416 3.206 20 30 GGEDRN C=CCn1c2nnc(S[C@H](CCC)C(=O)OCC)n2c2ccccc2c1=O ZINC000123614944 1414795085 /nfs/dbraw/zinc/79/50/85/1414795085.db2.gz PCLPMQNNFMRTLA-OAHLLOKOSA-N 0 0 386.477 3.054 20 30 GGEDRN Cc1cccc(S(=O)(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)c1C#N ZINC000123615603 1414795279 /nfs/dbraw/zinc/79/52/79/1414795279.db2.gz NUHOKJAWOQNZTR-GFCCVEGCSA-N 0 0 386.408 3.095 20 30 GGEDRN CCn1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nnc1-c1ccccn1 ZINC000123615856 1414795550 /nfs/dbraw/zinc/79/55/50/1414795550.db2.gz SDECXJTUDKWGMZ-ZDUSSCGKSA-N 0 0 378.461 3.351 20 30 GGEDRN CN(CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCSC1 ZINC000123639099 1414802008 /nfs/dbraw/zinc/80/20/08/1414802008.db2.gz CUFSRSPATJLUPN-VXGBXAGGSA-N 0 0 386.304 3.078 20 30 GGEDRN COCc1ccc(CNC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)cc1 ZINC000123664416 1414805975 /nfs/dbraw/zinc/80/59/75/1414805975.db2.gz ATTPUMITQVGSEU-UHFFFAOYSA-N 0 0 398.462 3.488 20 30 GGEDRN COc1ccc(C[C@@H](C)CNC(=O)Cc2ccc(OCC#N)cc2)cc1OC ZINC000123664448 1414806041 /nfs/dbraw/zinc/80/60/41/1414806041.db2.gz STHOYNGCSVGBIM-MRXNPFEDSA-N 0 0 382.460 3.144 20 30 GGEDRN N#C[C@@H](c1ccccc1)N1CCN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000123668811 1414806749 /nfs/dbraw/zinc/80/67/49/1414806749.db2.gz AKLLBKCGJSXKNL-FCHUYYIVSA-N 0 0 392.478 3.028 20 30 GGEDRN C=CCn1c(C)nn(CN(CC(=O)OC)Cc2ccc(Cl)cc2)c1=S ZINC000123673125 1414807319 /nfs/dbraw/zinc/80/73/19/1414807319.db2.gz RHGDVLKLZKUGDS-UHFFFAOYSA-N 0 0 380.901 3.195 20 30 GGEDRN Cc1c(NC(=O)C(C#N)=C(O)C2=CCCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000123681627 1414808992 /nfs/dbraw/zinc/80/89/92/1414808992.db2.gz CLFPIPDMKDDOMA-SFHVURJKSA-N 0 0 392.459 3.022 20 30 GGEDRN N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)c1 ZINC000123697382 1414811494 /nfs/dbraw/zinc/81/14/94/1414811494.db2.gz UVQGPNZTDCQEMG-AQNXPRMDSA-N 0 0 381.476 3.069 20 30 GGEDRN CCOC(=O)c1cc(S(=O)(=O)Nc2cc(C#N)ccc2Cl)ccc1F ZINC000123711851 1414813541 /nfs/dbraw/zinc/81/35/41/1414813541.db2.gz HVFVGJFDGZZPJX-UHFFFAOYSA-N 0 0 382.800 3.328 20 30 GGEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCc2ccc(C)cc21 ZINC000123716457 1414814608 /nfs/dbraw/zinc/81/46/08/1414814608.db2.gz MTLGZPWFNRAAGV-UHFFFAOYSA-N 0 0 380.492 3.323 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N(C)Cc2cccc(N(C)C)c2)c1 ZINC000123723744 1414815855 /nfs/dbraw/zinc/81/58/55/1414815855.db2.gz AGJHDQMRJPXWKU-UHFFFAOYSA-N 0 0 381.476 3.305 20 30 GGEDRN CCOc1cc(CN2CCC(C#N)CC2)ccc1OCC(=O)N1CCCCC1 ZINC000123725111 1414816195 /nfs/dbraw/zinc/81/61/95/1414816195.db2.gz JGISVKMMHPMICH-UHFFFAOYSA-N 0 0 385.508 3.212 20 30 GGEDRN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000123727506 1414816307 /nfs/dbraw/zinc/81/63/07/1414816307.db2.gz PQHGJIRPLOWSCS-UHFFFAOYSA-N 0 0 386.455 3.423 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)Cc1cccc(N(C)C)c1 ZINC000123749287 1414819636 /nfs/dbraw/zinc/81/96/36/1414819636.db2.gz ARVGXGGCCBQPBQ-UHFFFAOYSA-N 0 0 394.475 3.009 20 30 GGEDRN C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)[C@@H](C)C1CCCCC1 ZINC000123751232 1414820064 /nfs/dbraw/zinc/82/00/64/1414820064.db2.gz MUQDILILSGVCAU-BBWFWOEESA-N 0 0 384.528 3.173 20 30 GGEDRN C#CCOc1cccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 ZINC000123763371 1414821393 /nfs/dbraw/zinc/82/13/93/1414821393.db2.gz UVVOFJOJRSRDIY-HXUWFJFHSA-N 0 0 377.444 3.011 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000123791872 1414824967 /nfs/dbraw/zinc/82/49/67/1414824967.db2.gz SJGLAKPEUVXYPD-UFYCRDLUSA-N 0 0 383.492 3.064 20 30 GGEDRN COc1cc(C(=O)[C@H](C#N)c2nc(C)cs2)ccc1OCc1cnn(C)c1 ZINC000123795583 1414825303 /nfs/dbraw/zinc/82/53/03/1414825303.db2.gz MIPBJNDWYDFSKM-HNNXBMFYSA-N 0 0 382.445 3.263 20 30 GGEDRN CC(=O)N(CCc1ccccc1)CC(=O)Nc1cccc(OCCCC#N)c1 ZINC000123812039 1414828156 /nfs/dbraw/zinc/82/81/56/1414828156.db2.gz DTLNLIMNPZAZPS-UHFFFAOYSA-N 0 0 379.460 3.399 20 30 GGEDRN O=C(Nc1cccc(C(F)(F)F)n1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000123826725 1414830244 /nfs/dbraw/zinc/83/02/44/1414830244.db2.gz YQMDYTRKYGWSHX-UHFFFAOYSA-N 0 0 388.287 3.150 20 30 GGEDRN CN(C)c1cccc(CN(C)C(=O)C(=O)Nc2ccccc2SCCC#N)c1 ZINC000123847965 1414834384 /nfs/dbraw/zinc/83/43/84/1414834384.db2.gz KNOUXWKTRPVOKU-UHFFFAOYSA-N 0 0 396.516 3.355 20 30 GGEDRN CCN1C[C@@H](COC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1=O ZINC000123879064 1414841280 /nfs/dbraw/zinc/84/12/80/1414841280.db2.gz XJKRPUAQHTUNNN-SFHVURJKSA-N 0 0 378.428 3.162 20 30 GGEDRN CCN(CCC#N)C(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C ZINC000123880850 1414841863 /nfs/dbraw/zinc/84/18/63/1414841863.db2.gz PUURHRHDYARUMZ-UHFFFAOYSA-N 0 0 395.507 3.487 20 30 GGEDRN CC[C@H](C#N)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC000123890253 1414843944 /nfs/dbraw/zinc/84/39/44/1414843944.db2.gz PVNXZEFXDLMONS-OAHLLOKOSA-N 0 0 378.457 3.321 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)NC[C@H](OC)C(C)(C)C)nnc1-c1ccco1 ZINC000123898412 1414845817 /nfs/dbraw/zinc/84/58/17/1414845817.db2.gz UJKPENXLFFOWLU-HNNXBMFYSA-N 0 0 392.525 3.384 20 30 GGEDRN CCO[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1(CC)CC ZINC000177718447 1428841799 /nfs/dbraw/zinc/84/17/99/1428841799.db2.gz MIHYONUOSOAQPT-CVEARBPZSA-N 0 0 377.872 3.250 20 30 GGEDRN CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000123911070 1414847921 /nfs/dbraw/zinc/84/79/21/1414847921.db2.gz LTFKQXCQDUOBSU-INIZCTEOSA-N 0 0 375.856 3.004 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCOc3ccc(F)cc32)c(C(F)(F)F)c1 ZINC000123914928 1414849131 /nfs/dbraw/zinc/84/91/31/1414849131.db2.gz NBDMIQWBCKWMQB-UHFFFAOYSA-N 0 0 386.326 3.304 20 30 GGEDRN Cc1cccc(CCCOC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)n1 ZINC000123924197 1414850376 /nfs/dbraw/zinc/85/03/76/1414850376.db2.gz NULJWDGAHDXSRU-UHFFFAOYSA-N 0 0 377.448 3.030 20 30 GGEDRN Cc1nc(CNS(=O)(=O)c2ccc(C#N)nc2)oc1-c1ccc(Cl)cc1 ZINC000123938056 1414853118 /nfs/dbraw/zinc/85/31/18/1414853118.db2.gz ZDCLWRLDWWJAHR-UHFFFAOYSA-N 0 0 388.836 3.049 20 30 GGEDRN N#Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1Cl ZINC000123941046 1414853762 /nfs/dbraw/zinc/85/37/62/1414853762.db2.gz PDGBELWDGOJFTJ-UHFFFAOYSA-N 0 0 386.814 3.341 20 30 GGEDRN CCN(CCC#N)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000123939770 1414853811 /nfs/dbraw/zinc/85/38/11/1414853811.db2.gz OICGKRBDOJKPBM-UHFFFAOYSA-N 0 0 381.276 3.425 20 30 GGEDRN Cc1ccc([C@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)N2CCOCC2)o1 ZINC000123951633 1414856583 /nfs/dbraw/zinc/85/65/83/1414856583.db2.gz ALCJMZHJMWGYBR-KRWDZBQOSA-N 0 0 388.855 3.308 20 30 GGEDRN N#Cc1ccc(NC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1Cl ZINC000123954625 1414857234 /nfs/dbraw/zinc/85/72/34/1414857234.db2.gz OXUPBEQBTOKVLY-IBGZPJMESA-N 0 0 384.867 3.407 20 30 GGEDRN N#Cc1cc(NC(=O)CCSc2ccccn2)ccc1N1CCC(O)CC1 ZINC000123974109 1414860638 /nfs/dbraw/zinc/86/06/38/1414860638.db2.gz LYEZHVJWCHUCFZ-UHFFFAOYSA-N 0 0 382.489 3.035 20 30 GGEDRN C=CCn1c(S[C@@H](Cc2ccccc2)C(=O)OCC)nnc1-c1cnccn1 ZINC000123975639 1414860668 /nfs/dbraw/zinc/86/06/68/1414860668.db2.gz JKOIKXDANDZFFT-KRWDZBQOSA-N 0 0 395.488 3.188 20 30 GGEDRN C=CCn1c(SCCCOc2ccc([N+](=O)[O-])cc2)nnc1-c1cnccn1 ZINC000123983389 1414862403 /nfs/dbraw/zinc/86/24/03/1414862403.db2.gz DNUHDPWECIFIBS-UHFFFAOYSA-N 0 0 398.448 3.391 20 30 GGEDRN C=CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1cnccn1 ZINC000123987312 1414863387 /nfs/dbraw/zinc/86/33/87/1414863387.db2.gz KYMHVSLOSVHOMW-LBPRGKRZSA-N 0 0 391.460 3.011 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)n3)CC2)c(F)c1 ZINC000123990040 1414863879 /nfs/dbraw/zinc/86/38/79/1414863879.db2.gz RPCHQWHGYIIWQH-UHFFFAOYSA-N 0 0 393.344 3.465 20 30 GGEDRN CCN1C[C@@H](COC(=O)c2cccc(COc3ccccc3C#N)c2)CC1=O ZINC000123989793 1414864105 /nfs/dbraw/zinc/86/41/05/1414864105.db2.gz MSNTWPBOIZHXIQ-KRWDZBQOSA-N 0 0 378.428 3.162 20 30 GGEDRN C=CCn1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1cnccn1 ZINC000124000522 1414866165 /nfs/dbraw/zinc/86/61/65/1414866165.db2.gz LOBZFAYKLWBSEF-QGZVFWFLSA-N 0 0 392.488 3.033 20 30 GGEDRN N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000124009005 1414868482 /nfs/dbraw/zinc/86/84/82/1414868482.db2.gz MUROPYKCBQUEGB-HNNXBMFYSA-N 0 0 399.332 3.247 20 30 GGEDRN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nc(-c3ccoc3)no2)cc1 ZINC000124028427 1414871931 /nfs/dbraw/zinc/87/19/31/1414871931.db2.gz QGBFTRBKSBRPGU-INIZCTEOSA-N 0 0 378.388 3.172 20 30 GGEDRN CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(NC(=O)N(C)C)c2)cc1 ZINC000124030894 1414872419 /nfs/dbraw/zinc/87/24/19/1414872419.db2.gz QCIANDHYPSHVHE-GOSISDBHSA-N 0 0 378.432 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C=CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C)nn3C)o2)cc1 ZINC000126291710 1415406090 /nfs/dbraw/zinc/40/60/90/1415406090.db2.gz INLQQHQAFZCCFA-UHFFFAOYSA-N 0 0 385.449 3.074 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000126292608 1415407067 /nfs/dbraw/zinc/40/70/67/1415407067.db2.gz QNZQSNXXRBZEQP-UHFFFAOYSA-N 0 0 391.471 3.139 20 30 GGEDRN O=C(NCCNC(=O)C1N=CC=CC1=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC000126297383 1415409825 /nfs/dbraw/zinc/40/98/25/1415409825.db2.gz KEIUCIBHKLKUSV-MKSIGINJSA-N 0 0 396.491 3.134 20 30 GGEDRN N#C[C@H](C(=O)CCc1ccc(Br)cc1F)C(=O)Nc1ccccn1 ZINC000126297143 1415410018 /nfs/dbraw/zinc/41/00/18/1415410018.db2.gz RVGQCASVAPMZLQ-CYBMUJFWSA-N 0 0 390.212 3.263 20 30 GGEDRN COc1ccc(-c2cnc(CCC(=O)[C@H](C#N)C(=O)Nc3ccccn3)o2)cc1 ZINC000126299588 1415410521 /nfs/dbraw/zinc/41/05/21/1415410521.db2.gz LKOJKWUVTIRXDD-INIZCTEOSA-N 0 0 390.399 3.025 20 30 GGEDRN COc1ccccc1-c1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cs1 ZINC000126302149 1415411694 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379.370 3.218 20 30 GGEDRN Cc1nc(N2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)sc1C ZINC000126532366 1415480244 /nfs/dbraw/zinc/48/02/44/1415480244.db2.gz NTPXQJRHURPHRW-UHFFFAOYSA-N 0 0 384.505 3.138 20 30 GGEDRN CCOc1ccccc1OCc1nnc(SCc2cc(C#N)ccc2F)n1N ZINC000126542533 1415484252 /nfs/dbraw/zinc/48/42/52/1415484252.db2.gz LFKZWFYXJHKUSM-UHFFFAOYSA-N 0 0 399.451 3.273 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000126552657 1415488768 /nfs/dbraw/zinc/48/87/68/1415488768.db2.gz LFYDMCBLDPLJOJ-INIZCTEOSA-N 0 0 385.430 3.277 20 30 GGEDRN C#CCNC(=O)[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 ZINC000126562784 1415492395 /nfs/dbraw/zinc/49/23/95/1415492395.db2.gz CJMQITIMAJMZSE-OAHLLOKOSA-N 0 0 395.890 3.369 20 30 GGEDRN C#CCNC(=O)[C@H](C)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 ZINC000126562585 1415492561 /nfs/dbraw/zinc/49/25/61/1415492561.db2.gz CJMQITIMAJMZSE-HNNXBMFYSA-N 0 0 395.890 3.369 20 30 GGEDRN Cn1cc(/C=C2\CCc3c(cnn3C)C2=O)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000126562662 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GETGRPRYEOLNNI-VQIMIIECSA-N 0 0 390.443 3.278 20 30 GGEDRN N#C[C@H](C(=O)Nc1ccccc1)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000128006611 1415892258 /nfs/dbraw/zinc/89/22/58/1415892258.db2.gz GETGRPRYEOLNNI-LPHOPBHVSA-N 0 0 390.443 3.278 20 30 GGEDRN Cc1nn(-c2ccccc2)c(CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)c1C#N ZINC000128010977 1415892685 /nfs/dbraw/zinc/89/26/85/1415892685.db2.gz GLUUHHZOZUZZFW-HUUCEWRRSA-N 0 0 391.475 3.299 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 ZINC000128017527 1415893591 /nfs/dbraw/zinc/89/35/91/1415893591.db2.gz WRWRWAGVJZQJTC-UHFFFAOYSA-N 0 0 386.451 3.477 20 30 GGEDRN CN(CCOc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000128042628 1415899242 /nfs/dbraw/zinc/89/92/42/1415899242.db2.gz NXRKTOFWKRTMDD-UHFFFAOYSA-N 0 0 392.242 3.341 20 30 GGEDRN N#Cc1cccc(CNC(=O)C(=O)Nc2ccccc2CCC(F)(F)F)c1 ZINC000128066016 1415904666 /nfs/dbraw/zinc/90/46/66/1415904666.db2.gz VNAUGHLDVFOKNA-UHFFFAOYSA-N 0 0 375.350 3.308 20 30 GGEDRN C=CCSc1ccccc1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1 ZINC000128080879 1415907846 /nfs/dbraw/zinc/90/78/46/1415907846.db2.gz AWNUKWJSDDRBPS-UHFFFAOYSA-N 0 0 395.528 3.361 20 30 GGEDRN CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000128089754 1415910336 /nfs/dbraw/zinc/91/03/36/1415910336.db2.gz VDLBMOTUXAEWQW-JWIGPWBQSA-N 0 0 389.521 3.015 20 30 GGEDRN N#Cc1cc(F)c(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)c(F)c1 ZINC000128091609 1415910651 /nfs/dbraw/zinc/91/06/51/1415910651.db2.gz ALKJWVCIYCASOO-UHFFFAOYSA-N 0 0 390.434 3.073 20 30 GGEDRN C#CCN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C)C1CCCC1 ZINC000128104691 1415913312 /nfs/dbraw/zinc/91/33/12/1415913312.db2.gz NSXLZFDGGVGINN-UHFFFAOYSA-N 0 0 381.398 3.114 20 30 GGEDRN C[C@@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)cc2)C[C@H](C)O1 ZINC000128111236 1415914717 /nfs/dbraw/zinc/91/47/17/1415914717.db2.gz FFGORCILVXYGSD-GASCZTMLSA-N 0 0 394.431 3.328 20 30 GGEDRN CNS(=O)(=O)c1cccc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000128109023 1415914773 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KNTQHAGUQPWGQM-IBGZPJMESA-N 0 0 376.460 3.169 20 30 GGEDRN N#CC1(NC(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2ccco2)CCC1 ZINC000128219694 1415942885 /nfs/dbraw/zinc/94/28/85/1415942885.db2.gz MMAAQYPDKOHBNA-UHFFFAOYSA-N 0 0 398.426 3.311 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000128229055 1415944289 /nfs/dbraw/zinc/94/42/89/1415944289.db2.gz PGZLIOYMLSJJBU-SFHVURJKSA-N 0 0 390.443 3.445 20 30 GGEDRN CC(=O)Nc1cc(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)ccc1C ZINC000128235767 1415945551 /nfs/dbraw/zinc/94/55/51/1415945551.db2.gz NFKDUEWDYVCVBG-SFHVURJKSA-N 0 0 378.432 3.053 20 30 GGEDRN Cc1ccsc1CCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000128241056 1415946226 /nfs/dbraw/zinc/94/62/26/1415946226.db2.gz KJNFUDAWXIYCOR-HNNXBMFYSA-N 0 0 377.510 3.351 20 30 GGEDRN Cc1ccc(-c2nnco2)cc1NC(=O)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000128243616 1415946731 /nfs/dbraw/zinc/94/67/31/1415946731.db2.gz UHUIBNNYIVXDHT-KRWDZBQOSA-N 0 0 389.415 3.145 20 30 GGEDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000128241973 1415946801 /nfs/dbraw/zinc/94/68/01/1415946801.db2.gz PBGVGVQSQDGUFA-RRFJBIMHSA-N 0 0 375.494 3.132 20 30 GGEDRN C#CCN1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000128248172 1415947550 /nfs/dbraw/zinc/94/75/50/1415947550.db2.gz WVWUCAQGJFNSKK-UHFFFAOYSA-N 0 0 392.286 3.358 20 30 GGEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1ccc(SC(F)F)nc1)c1ccccc1 ZINC000128248235 1415947957 /nfs/dbraw/zinc/94/79/57/1415947957.db2.gz FXTOCKFHRNLDCT-CQSZACIVSA-N 0 0 390.415 3.496 20 30 GGEDRN Cc1c(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)cnn1-c1ccccc1 ZINC000128248706 1415947974 /nfs/dbraw/zinc/94/79/74/1415947974.db2.gz OGKAYVZWJOPAIY-IBGZPJMESA-N 0 0 387.443 3.281 20 30 GGEDRN CCOCc1ccccc1CNC(=O)COc1c(Cl)cc(C#N)cc1OC ZINC000178222987 1429022040 /nfs/dbraw/zinc/02/20/40/1429022040.db2.gz RJFMVHUVAZAWJM-UHFFFAOYSA-N 0 0 388.851 3.452 20 30 GGEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1cccc(Cn2cccn2)c1)c1ccccc1 ZINC000128262712 1415949770 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GGEDRN CC(C)(C)C(=O)N1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000128289258 1415955411 /nfs/dbraw/zinc/95/54/11/1415955411.db2.gz CYVWQEOWNOIDES-UHFFFAOYSA-N 0 0 379.508 3.154 20 30 GGEDRN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc3c(s2)CCC3)cc1 ZINC000128290093 1415955541 /nfs/dbraw/zinc/95/55/41/1415955541.db2.gz LMZDMEMAWVVCNT-HNNXBMFYSA-N 0 0 383.498 3.262 20 30 GGEDRN COc1ccc(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)c2cccnc12 ZINC000128291875 1415955941 /nfs/dbraw/zinc/95/59/41/1415955941.db2.gz FLTXRFYAURIZKN-QGZVFWFLSA-N 0 0 388.427 3.343 20 30 GGEDRN C[C@@H](ON=C(N)c1ccc(NC(C)(C)C)cn1)C(=O)NC1CCC(C)CC1 ZINC000128295315 1415956608 /nfs/dbraw/zinc/95/66/08/1415956608.db2.gz OOKOFHAOYIUJIQ-SHARSMKWSA-N 0 0 375.517 3.012 20 30 GGEDRN C[C@H](ON=C(N)c1ccc(NC(C)(C)C)cn1)C(=O)NC1CCC(C)CC1 ZINC000128295531 1415956661 /nfs/dbraw/zinc/95/66/61/1415956661.db2.gz OOKOFHAOYIUJIQ-SLTAFYQDSA-N 0 0 375.517 3.012 20 30 GGEDRN C[C@@H](CNC(=O)[C@@H](C)ON=C(N)c1ccc(NC(C)(C)C)cn1)c1ccccc1 ZINC000128305022 1415958943 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GGEDRN C=C[C@H](C)NC(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000128387969 1415976731 /nfs/dbraw/zinc/97/67/31/1415976731.db2.gz SAAPYPDKDKWHEO-KPZWWZAWSA-N 0 0 394.443 3.331 20 30 GGEDRN C=C[C@@H](C)NC(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000128388140 1415976756 /nfs/dbraw/zinc/97/67/56/1415976756.db2.gz SAAPYPDKDKWHEO-KZULUSFZSA-N 0 0 394.443 3.331 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN([C@@H](C)C(F)(F)F)CC2)cc1 ZINC000178248987 1429032408 /nfs/dbraw/zinc/03/24/08/1429032408.db2.gz NUTVNSKZGVEYGF-SJORKVTESA-N 0 0 396.457 3.199 20 30 GGEDRN C=CCNc1ncc(C(=O)N2CCC[C@@H](C(=O)NCCCCCC)C2)s1 ZINC000128392948 1415977152 /nfs/dbraw/zinc/97/71/52/1415977152.db2.gz UBHRGFOBNQCVRD-OAHLLOKOSA-N 0 0 378.542 3.290 20 30 GGEDRN C[C@H](ON=C(N)c1ccc(NC(C)(C)C)cn1)C(=O)N(C)C1CCCCC1 ZINC000128389447 1415977355 /nfs/dbraw/zinc/97/73/55/1415977355.db2.gz YRDSSWNJQMNPFR-AWEZNQCLSA-N 0 0 375.517 3.109 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)c2cn(Cc3cccc(F)c3)nn2)cc1 ZINC000128412403 1415981147 /nfs/dbraw/zinc/98/11/47/1415981147.db2.gz JBUQOKJYCYXOLM-UHFFFAOYSA-N 0 0 393.422 3.425 20 30 GGEDRN C[C@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)CCN1CC(F)(F)F ZINC000128412735 1415981196 /nfs/dbraw/zinc/98/11/96/1415981196.db2.gz DTFWKRUTKGQSSU-HNNXBMFYSA-N 0 0 392.425 3.306 20 30 GGEDRN C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2csc(-c3ccccn3)n2)C1=O ZINC000128421996 1415983254 /nfs/dbraw/zinc/98/32/54/1415983254.db2.gz YGEOGYYBSPZSSF-HXUWFJFHSA-N 0 0 389.440 3.044 20 30 GGEDRN CCc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@H](C)NC(=O)c2ccccc2)cc1 ZINC000128432791 1415985844 /nfs/dbraw/zinc/98/58/44/1415985844.db2.gz UWYAOXCDFGTRPO-HNAYVOBHSA-N 0 0 377.444 3.105 20 30 GGEDRN CCc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@@H](C)NC(=O)c2ccccc2)cc1 ZINC000128432361 1415985961 /nfs/dbraw/zinc/98/59/61/1415985961.db2.gz UWYAOXCDFGTRPO-DNVCBOLYSA-N 0 0 377.444 3.105 20 30 GGEDRN C=CCNc1ncc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 ZINC000128459611 1415992236 /nfs/dbraw/zinc/99/22/36/1415992236.db2.gz JYCYIYHDXMGPRM-ZDUSSCGKSA-N 0 0 380.514 3.118 20 30 GGEDRN CC[C@H](CC#N)NC(=O)C(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 ZINC000128466935 1415994336 /nfs/dbraw/zinc/99/43/36/1415994336.db2.gz BNFUHNVTAUFEGD-GFCCVEGCSA-N 0 0 387.827 3.014 20 30 GGEDRN CN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000128472516 1415994969 /nfs/dbraw/zinc/99/49/69/1415994969.db2.gz BCBFJKQQCVYHTF-KRWDZBQOSA-N 0 0 388.876 3.131 20 30 GGEDRN CC[C@H](CC#N)NC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1 ZINC000128478344 1415996854 /nfs/dbraw/zinc/99/68/54/1415996854.db2.gz JFEXGWSPBRYFPT-OAHLLOKOSA-N 0 0 381.480 3.225 20 30 GGEDRN Cc1ccc(/C=C/C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1F ZINC000128486598 1415998027 /nfs/dbraw/zinc/99/80/27/1415998027.db2.gz JATSVZMYAMYKQV-BQYQJAHWSA-N 0 0 389.448 3.051 20 30 GGEDRN COc1ccc(CCCC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000128496305 1416000350 /nfs/dbraw/zinc/00/03/50/1416000350.db2.gz CPRRPLHXHVIKMV-JOCHJYFZSA-N 0 0 377.488 3.427 20 30 GGEDRN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000128497307 1416000386 /nfs/dbraw/zinc/00/03/86/1416000386.db2.gz KMTWTFMTDHYLSQ-IBGZPJMESA-N 0 0 375.428 3.337 20 30 GGEDRN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000128509055 1416002164 /nfs/dbraw/zinc/00/21/64/1416002164.db2.gz GRAPREWUGXPOKU-MJGOQNOKSA-N 0 0 389.455 3.488 20 30 GGEDRN CCc1ccc(NC(=O)[C@H](C#N)C(=O)CCCNC(=O)NC2CCCCC2)cc1 ZINC000128511969 1416003457 /nfs/dbraw/zinc/00/34/57/1416003457.db2.gz PVZGDFWRNQMJDB-LJQANCHMSA-N 0 0 398.507 3.308 20 30 GGEDRN CCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(NC(=O)C(C)C)n2)cc1 ZINC000128526082 1416006286 /nfs/dbraw/zinc/00/62/86/1416006286.db2.gz LRNGSPBDEYOICU-MRXNPFEDSA-N 0 0 398.488 3.190 20 30 GGEDRN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@@H](NC(N)=O)c2ccccc2C)cc1 ZINC000128545659 1416010335 /nfs/dbraw/zinc/01/03/35/1416010335.db2.gz LNXKSXKRLLKDOG-RBUKOAKNSA-N 0 0 392.459 3.005 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NCCOc2ccccc2Cl)c1 ZINC000128546984 1416010408 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COc1cccc(C#CCOC(=O)c2cccc(OCc3noc(C)n3)c2)c1 ZINC000129261520 1416181414 /nfs/dbraw/zinc/18/14/14/1416181414.db2.gz NRAXWDPSMNEAIS-UHFFFAOYSA-N 0 0 378.384 3.174 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)c1 ZINC000129288510 1416185577 /nfs/dbraw/zinc/18/55/77/1416185577.db2.gz OIEHRJSRJCCZAY-UHFFFAOYSA-N 0 0 390.443 3.464 20 30 GGEDRN CCS(=O)(=O)Nc1ccc(NC2CC(C#N)(c3ccccc3)C2)cc1OC ZINC000129304479 1416188339 /nfs/dbraw/zinc/18/83/39/1416188339.db2.gz VZZXVOUYSCDSAJ-UHFFFAOYSA-N 0 0 385.489 3.493 20 30 GGEDRN Cc1cc(O)cc(=O)n1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000129315708 1416190076 /nfs/dbraw/zinc/19/00/76/1416190076.db2.gz LUKOAUGPVGHRPS-UHFFFAOYSA-N 0 0 375.384 3.165 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(N(CC)CC)nc2)c1 ZINC000129314798 1416190117 /nfs/dbraw/zinc/19/01/17/1416190117.db2.gz YGRQRINVAWJRQS-UHFFFAOYSA-N 0 0 382.464 3.460 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000129327026 1416191908 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C[C@@](O)(CNC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(F)cc1 ZINC000129361498 1416196765 /nfs/dbraw/zinc/19/67/65/1416196765.db2.gz PCQFIEIEBIRIDS-GOSISDBHSA-N 0 0 379.338 3.328 20 30 GGEDRN C[C@@](C#N)(CCc1ccccc1)NC(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000129378221 1416199561 /nfs/dbraw/zinc/19/95/61/1416199561.db2.gz LBODKUFRYCXANL-NRFANRHFSA-N 0 0 377.423 3.110 20 30 GGEDRN C[C@](C#N)(CCc1ccccc1)NC(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000129377965 1416199627 /nfs/dbraw/zinc/19/96/27/1416199627.db2.gz LBODKUFRYCXANL-OAQYLSRUSA-N 0 0 377.423 3.110 20 30 GGEDRN N#Cc1ncn(CC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)n1 ZINC000178430221 1429076145 /nfs/dbraw/zinc/07/61/45/1429076145.db2.gz GPPGNMWLSQOFGZ-SNVBAGLBSA-N 0 0 382.276 3.074 20 30 GGEDRN C=CCNc1ncc(C(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)s1 ZINC000129392381 1416201869 /nfs/dbraw/zinc/20/18/69/1416201869.db2.gz KQEKAOBPNNXPNT-CYBMUJFWSA-N 0 0 380.514 3.213 20 30 GGEDRN N#Cc1ccc(C[S@](=O)Cc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1 ZINC000129402991 1416203755 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C[C@H](CC#N)N(C)CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000129572783 1416230663 /nfs/dbraw/zinc/23/06/63/1416230663.db2.gz CUGFGZWYRDECQF-OAHLLOKOSA-N 0 0 385.489 3.286 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)cc1 ZINC000129579126 1416231684 /nfs/dbraw/zinc/23/16/84/1416231684.db2.gz QRJXKFASUIHFFT-UHFFFAOYSA-N 0 0 390.374 3.249 20 30 GGEDRN C=CCn1c(SC[C@H](O)COc2ccccc2F)nnc1-c1ccccn1 ZINC000178443406 1429078882 /nfs/dbraw/zinc/07/88/82/1429078882.db2.gz OPCXJBRRJWRYOG-CQSZACIVSA-N 0 0 386.452 3.197 20 30 GGEDRN C=CCCOCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000129626795 1416239744 /nfs/dbraw/zinc/23/97/44/1416239744.db2.gz PGDBTYAQJZSDSG-LJQANCHMSA-N 0 0 380.488 3.401 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000178415247 1429073025 /nfs/dbraw/zinc/07/30/25/1429073025.db2.gz UFWARXLJGYHYIV-UHFFFAOYSA-N 0 0 379.313 3.280 20 30 GGEDRN Cc1cccc(C)c1CCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000129643250 1416242449 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IVHCUSGSZNVSKW-ICSRJNTNSA-N 0 0 377.444 3.089 20 30 GGEDRN C=C(Br)CNC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000129752321 1416258404 /nfs/dbraw/zinc/25/84/04/1416258404.db2.gz VSIUZGNIVIOLBN-STQMWFEESA-N 0 0 390.322 3.372 20 30 GGEDRN N#Cc1cnc2ccccc2c1N1CCN(CN2C(=O)C[C@H]2c2ccccc2)CC1 ZINC000129772101 1416261195 /nfs/dbraw/zinc/26/11/95/1416261195.db2.gz AIMCIKHZLZZRFT-QFIPXVFZSA-N 0 0 397.482 3.160 20 30 GGEDRN Cc1ccccc1Cc1nnc(CN2CCN([C@H](C#N)c3ccccc3)CC2)o1 ZINC000129771453 1416261339 /nfs/dbraw/zinc/26/13/39/1416261339.db2.gz KLCDTSXOWQAVBU-OAQYLSRUSA-N 0 0 387.487 3.351 20 30 GGEDRN Cc1ccc2oc(=O)n(CN3CCN(c4c(C#N)cnc5ccccc54)CC3)c2c1 ZINC000129770782 1416261437 /nfs/dbraw/zinc/26/14/37/1416261437.db2.gz SDTUTJYSGNDUNK-UHFFFAOYSA-N 0 0 399.454 3.103 20 30 GGEDRN C[C@@H](NC(=O)c1ccoc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129775676 1416262239 /nfs/dbraw/zinc/26/22/39/1416262239.db2.gz TXGZANRATBZKOD-SKDRFNHKSA-N 0 0 394.214 3.052 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NCCc1ccc(OCC(C)C)cc1 ZINC000178470125 1429085056 /nfs/dbraw/zinc/08/50/56/1429085056.db2.gz XMOUNPLPKNRVOA-UHFFFAOYSA-N 0 0 379.460 3.199 20 30 GGEDRN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000129803756 1416265979 /nfs/dbraw/zinc/26/59/79/1416265979.db2.gz TXVYBVGFXJZUFM-UHFFFAOYSA-N 0 0 389.864 3.312 20 30 GGEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000129805086 1416266491 /nfs/dbraw/zinc/26/64/91/1416266491.db2.gz QRZMKMVBEFJNRS-UHFFFAOYSA-N 0 0 382.363 3.434 20 30 GGEDRN COCc1cccc(NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000129808864 1416266994 /nfs/dbraw/zinc/26/69/94/1416266994.db2.gz OFBABYOEJFHXQI-UHFFFAOYSA-N 0 0 377.322 3.301 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000178459217 1429081757 /nfs/dbraw/zinc/08/17/57/1429081757.db2.gz JREGDLOWSCLIOX-IBGZPJMESA-N 0 0 395.434 3.152 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000129835076 1416271469 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ZINC000130012715 1416302321 /nfs/dbraw/zinc/30/23/21/1416302321.db2.gz OVOHTTAWSMZHRR-IBGZPJMESA-N 0 0 394.471 3.181 20 30 GGEDRN N#C[C@@H](C(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)c1nc2ccccc2[nH]1 ZINC000130016492 1416303412 /nfs/dbraw/zinc/30/34/12/1416303412.db2.gz FCYJSEVCEULJSV-NSHDSACASA-N 0 0 399.332 3.258 20 30 GGEDRN COc1cc(CN2CCN(Cc3cc(C#N)ccc3F)CC2)cc(OC)c1OC ZINC000178469126 1429084510 /nfs/dbraw/zinc/08/45/10/1429084510.db2.gz AZICIWDBECBVFG-UHFFFAOYSA-N 0 0 399.466 3.041 20 30 GGEDRN N#Cc1ccc(CSCC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000130026889 1416304748 /nfs/dbraw/zinc/30/47/48/1416304748.db2.gz KHYGQRQHRZCHSY-HXUWFJFHSA-N 0 0 393.512 3.099 20 30 GGEDRN Cc1cccc(C)c1CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000130035875 1416306097 /nfs/dbraw/zinc/30/60/97/1416306097.db2.gz VYJIQCVLPZMWFO-UHFFFAOYSA-N 0 0 379.460 3.260 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000130050302 1416308906 /nfs/dbraw/zinc/30/89/06/1416308906.db2.gz RURDWADYSYPMJG-MOPGFXCFSA-N 0 0 380.444 3.200 20 30 GGEDRN C=CCC[C@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000178469928 1429084912 /nfs/dbraw/zinc/08/49/12/1429084912.db2.gz LLMMLYVNNAXEIJ-FQEVSTJZSA-N 0 0 375.476 3.492 20 30 GGEDRN COc1cccc(C2(CNC(=O)C(=O)Nc3cccc(C#N)c3C)CCCC2)c1 ZINC000178472139 1429085377 /nfs/dbraw/zinc/08/53/77/1429085377.db2.gz AWLZZZDJWNKTFY-UHFFFAOYSA-N 0 0 391.471 3.442 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC000178473589 1429085396 /nfs/dbraw/zinc/08/53/96/1429085396.db2.gz HNCBHQLUTKOXKH-HNNXBMFYSA-N 0 0 394.475 3.330 20 30 GGEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-n3cccc3)c2)cc1OC ZINC000130073467 1416312759 /nfs/dbraw/zinc/31/27/59/1416312759.db2.gz WGQXWPROJVHVHI-GOSISDBHSA-N 0 0 389.411 3.456 20 30 GGEDRN Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000130089202 1416315525 /nfs/dbraw/zinc/31/55/25/1416315525.db2.gz NZSBUJTWLFDHDV-UHFFFAOYSA-N 0 0 397.479 3.268 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1cnc2c(cnn2CC(C)C)c1 ZINC000130100814 1416318089 /nfs/dbraw/zinc/31/80/89/1416318089.db2.gz ARCWUBOPGAGJGK-UHFFFAOYSA-N 0 0 391.475 3.248 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)N2CCCc3ccc(F)cc32)c1 ZINC000130103487 1416318488 /nfs/dbraw/zinc/31/84/88/1416318488.db2.gz FWYXTBHUDYSZAH-UHFFFAOYSA-N 0 0 381.407 3.426 20 30 GGEDRN CC[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000130102823 1416318576 /nfs/dbraw/zinc/31/85/76/1416318576.db2.gz GWPLCOFRVPMNMN-GOSISDBHSA-N 0 0 392.427 3.019 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)c1 ZINC000130102817 1416318788 /nfs/dbraw/zinc/31/87/88/1416318788.db2.gz BXUQYMGOWSBBAU-UHFFFAOYSA-N 0 0 382.807 3.471 20 30 GGEDRN CCOc1ccc(O)c(/C=N/C[C@@H](O)COc2ccccc2Br)c1 ZINC000130104377 1416318795 /nfs/dbraw/zinc/31/87/95/1416318795.db2.gz GOKSKQAKLDZTSY-DGURAOSJSA-N 0 0 394.265 3.412 20 30 GGEDRN COc1cccc(/C=N/C[C@H](O)COc2ccccc2Br)c1O ZINC000130106421 1416318940 /nfs/dbraw/zinc/31/89/40/1416318940.db2.gz 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C#Cc1cccc(NC(=O)C(=O)N[C@H](C)Cc2ccccc2Br)c1 ZINC000131624221 1416586319 /nfs/dbraw/zinc/58/63/19/1416586319.db2.gz OHMOMWJITZHQCN-CYBMUJFWSA-N 0 0 385.261 3.116 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000178571722 1429110082 /nfs/dbraw/zinc/11/00/82/1429110082.db2.gz YIZNIPCWISISQX-FQEVSTJZSA-N 0 0 382.439 3.201 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)CN2CCOc3ccc(F)cc32)cc1 ZINC000131641039 1416588732 /nfs/dbraw/zinc/58/87/32/1416588732.db2.gz JWRMHEWDCOWYCE-UHFFFAOYSA-N 0 0 383.423 3.370 20 30 GGEDRN CN(Cc1ccccc1N1CCCC1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000131641335 1416588800 /nfs/dbraw/zinc/58/88/00/1416588800.db2.gz XQKNYHJPBANBOS-LJQANCHMSA-N 0 0 380.517 3.457 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 ZINC000131644657 1416589620 /nfs/dbraw/zinc/58/96/20/1416589620.db2.gz SZJGAGLDIXWNET-AWEZNQCLSA-N 0 0 391.899 3.209 20 30 GGEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](O)c2ccco2)cc1C ZINC000131661623 1416591984 /nfs/dbraw/zinc/59/19/84/1416591984.db2.gz ARDZKAFDEMRFBV-SFHVURJKSA-N 0 0 378.432 3.137 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000178572760 1429110618 /nfs/dbraw/zinc/11/06/18/1429110618.db2.gz IRPQTAJKKUKVML-FQEVSTJZSA-N 0 0 376.460 3.222 20 30 GGEDRN COc1cc(/C=C/C(=O)N[C@@H](C)C[C@H](O)c2cccs2)ccc1OCC#N ZINC000131684223 1416596769 /nfs/dbraw/zinc/59/67/69/1416596769.db2.gz MHNOCCQJQCQUBA-YKNXIFKJSA-N 0 0 386.473 3.301 20 30 GGEDRN C[C@@H](OC(=O)CCn1cnc2ccc(Br)cc2c1=O)C(C)(C)C#N ZINC000131691776 1416598170 /nfs/dbraw/zinc/59/81/70/1416598170.db2.gz KCCRCCPGEXLFKC-LLVKDONJSA-N 0 0 392.253 3.031 20 30 GGEDRN C[C@H](OC(=O)CCn1cnc2ccc(Br)cc2c1=O)C(C)(C)C#N ZINC000131691558 1416598411 /nfs/dbraw/zinc/59/84/11/1416598411.db2.gz KCCRCCPGEXLFKC-NSHDSACASA-N 0 0 392.253 3.031 20 30 GGEDRN Cc1cc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)ccc1-n1cncn1 ZINC000131696309 1416598916 /nfs/dbraw/zinc/59/89/16/1416598916.db2.gz JVLGUZJGEPWTLN-SOFGYWHQSA-N 0 0 392.434 3.448 20 30 GGEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nc(-c3ccsc3)no2)cc1 ZINC000131704703 1416600072 /nfs/dbraw/zinc/60/00/72/1416600072.db2.gz DBJNNRJXYBNTBJ-OAHLLOKOSA-N 0 0 396.428 3.087 20 30 GGEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nc(-c3cccs3)no2)cc1 ZINC000131707000 1416601150 /nfs/dbraw/zinc/60/11/50/1416601150.db2.gz FRVSSZDIPRXANI-CQSZACIVSA-N 0 0 396.428 3.087 20 30 GGEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(C)nn(CC(C)C)c2C)cc1 ZINC000131709545 1416601698 /nfs/dbraw/zinc/60/16/98/1416601698.db2.gz QYUHVQXOPZGDEX-FQEVSTJZSA-N 0 0 396.491 3.445 20 30 GGEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2cnn(-c3ccccc3)c2)cc1 ZINC000131711238 1416602168 /nfs/dbraw/zinc/60/21/68/1416602168.db2.gz YFDZXUOPIMURGJ-HXUWFJFHSA-N 0 0 388.427 3.161 20 30 GGEDRN N#CCCN(C(=O)CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 ZINC000131715488 1416603247 /nfs/dbraw/zinc/60/32/47/1416603247.db2.gz NZTAVDXDBANLJT-LJQANCHMSA-N 0 0 384.867 3.135 20 30 GGEDRN CSc1nc(C2CC2)cc(C(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)c1C#N ZINC000131727837 1416605867 /nfs/dbraw/zinc/60/58/67/1416605867.db2.gz NGZAVXIZMSFTOR-OAHLLOKOSA-N 0 0 399.438 3.328 20 30 GGEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000131730222 1416606584 /nfs/dbraw/zinc/60/65/84/1416606584.db2.gz ZTXWLWMGWGKBIK-BZNIZROVSA-N 0 0 379.243 3.482 20 30 GGEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(-c3ccccc3F)c2C)cc1 ZINC000131733749 1416607314 /nfs/dbraw/zinc/60/73/14/1416607314.db2.gz QHWBXQPXUUFLGU-MRXNPFEDSA-N 0 0 392.390 3.290 20 30 GGEDRN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000131750405 1416611282 /nfs/dbraw/zinc/61/12/82/1416611282.db2.gz OPNLKRGWEIUNEU-GJZGRUSLSA-N 0 0 391.899 3.056 20 30 GGEDRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc3cc(C#N)ccc3n2CC)C1 ZINC000131750148 1416611505 /nfs/dbraw/zinc/61/15/05/1416611505.db2.gz QZTMPBYQDKXARX-HOCLYGCPSA-N 0 0 381.480 3.151 20 30 GGEDRN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000131750614 1416611671 /nfs/dbraw/zinc/61/16/71/1416611671.db2.gz OPNLKRGWEIUNEU-CABCVRRESA-N 0 0 391.899 3.056 20 30 GGEDRN CCn1c(NC(=O)c2csc(-c3cnn(C)c3)n2)nc2cc(C#N)ccc21 ZINC000131752515 1416612077 /nfs/dbraw/zinc/61/20/77/1416612077.db2.gz NWBRQOZJWMXCSK-UHFFFAOYSA-N 0 0 377.433 3.037 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000131762858 1416614556 /nfs/dbraw/zinc/61/45/56/1416614556.db2.gz MIZBJXSBXJVXFF-UHFFFAOYSA-N 0 0 394.347 3.305 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)CCS(=O)(=O)c1ccc(C)cc1 ZINC000131764007 1416615368 /nfs/dbraw/zinc/61/53/68/1416615368.db2.gz UKMXWVTXROTWDQ-UHFFFAOYSA-N 0 0 396.472 3.039 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)N2CCC[C@@H](COC)C2)nnc1-c1ccco1 ZINC000131779893 1416618607 /nfs/dbraw/zinc/61/86/07/1416618607.db2.gz JLIZNDFKQGJIIM-OAHLLOKOSA-N 0 0 390.509 3.091 20 30 GGEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c[nH]c3ccc(OC)cc23)cc1 ZINC000131783363 1416619360 /nfs/dbraw/zinc/61/93/60/1416619360.db2.gz NQKUHALHGJBAPZ-SFHVURJKSA-N 0 0 377.400 3.075 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)c1nnn(-c2ccc(C)cc2)c1C ZINC000131787653 1416620527 /nfs/dbraw/zinc/62/05/27/1416620527.db2.gz KMSYRCWSJXNXDG-UHFFFAOYSA-N 0 0 385.431 3.378 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000131792291 1416621134 /nfs/dbraw/zinc/62/11/34/1416621134.db2.gz HDAMDDKTMXOGPX-GOSISDBHSA-N 0 0 377.379 3.199 20 30 GGEDRN CCn1c(NC(=O)c2ccn(-c3ccc(OC)cc3)n2)nc2cc(C#N)ccc21 ZINC000131789185 1416621211 /nfs/dbraw/zinc/62/12/11/1416621211.db2.gz BUXVEYYYTMZOPO-UHFFFAOYSA-N 0 0 386.415 3.374 20 30 GGEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)COc2ccccc2C(F)(F)F)cc1 ZINC000131794715 1416621950 /nfs/dbraw/zinc/62/19/50/1416621950.db2.gz CIEGZHZTGRJQOM-CQSZACIVSA-N 0 0 392.333 3.440 20 30 GGEDRN COc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)C2CCC2)cc1[N+](=O)[O-] ZINC000131797400 1416622586 /nfs/dbraw/zinc/62/25/86/1416622586.db2.gz VVGFVTBFXXQGCH-ZDUSSCGKSA-N 0 0 397.435 3.299 20 30 GGEDRN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000131799064 1416623340 /nfs/dbraw/zinc/62/33/40/1416623340.db2.gz ZGDZEADTISYFOS-RDTXWAMCSA-N 0 0 397.500 3.476 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000131800020 1416623820 /nfs/dbraw/zinc/62/38/20/1416623820.db2.gz KILCHLHORBWELK-QUCCMNQESA-N 0 0 377.444 3.059 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC000131803790 1416625105 /nfs/dbraw/zinc/62/51/05/1416625105.db2.gz FVRIBZCZHSUUCG-UHFFFAOYSA-N 0 0 386.415 3.049 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)c1C#N ZINC000131804747 1416625702 /nfs/dbraw/zinc/62/57/02/1416625702.db2.gz KVUATKHPQOLRLW-WOJBJXKFSA-N 0 0 377.444 3.059 20 30 GGEDRN N#Cc1ccc(C(=O)NCC(=O)NC(c2cccs2)c2cccs2)cc1 ZINC000131817815 1416627789 /nfs/dbraw/zinc/62/77/89/1416627789.db2.gz CYNGHOQLAXNBGD-UHFFFAOYSA-N 0 0 381.482 3.317 20 30 GGEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCC(=O)c2ccc(F)cc2F)cc1 ZINC000131827601 1416630239 /nfs/dbraw/zinc/63/02/39/1416630239.db2.gz VTANSZPEKJHPDM-INIZCTEOSA-N 0 0 386.354 3.284 20 30 GGEDRN C=CCN(C(=O)Cc1cc2c(ccc3ccccc23)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000131835519 1416631826 /nfs/dbraw/zinc/63/18/26/1416631826.db2.gz UGDWWTYPIVEARH-MRXNPFEDSA-N 0 0 383.469 3.330 20 30 GGEDRN N#Cc1ccc(NC(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)cc1 ZINC000131849253 1416634104 /nfs/dbraw/zinc/63/41/04/1416634104.db2.gz JFHHFEOZIPEIBJ-UHFFFAOYSA-N 0 0 376.460 3.257 20 30 GGEDRN N#Cc1ccc(Oc2cccc(C(=O)N[C@H](C(N)=O)c3ccc(F)cc3)c2)cc1 ZINC000131850003 1416634446 /nfs/dbraw/zinc/63/44/46/1416634446.db2.gz NFVIKUDDIBJGTL-FQEVSTJZSA-N 0 0 389.386 3.446 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)C1CCN(C(=O)OCC(C)C)CC1 ZINC000131871628 1416638646 /nfs/dbraw/zinc/63/86/46/1416638646.db2.gz KTVLPUIWFHRJGA-UHFFFAOYSA-N 0 0 397.479 3.371 20 30 GGEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000131873214 1416639415 /nfs/dbraw/zinc/63/94/15/1416639415.db2.gz VLBALZFPHONCOA-NRFANRHFSA-N 0 0 379.460 3.437 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)NCCCCN1C(=O)c2ccccc2C1=O ZINC000178586012 1429114468 /nfs/dbraw/zinc/11/44/68/1429114468.db2.gz NJADIVVFYDFBHE-UHFFFAOYSA-N 0 0 376.416 3.065 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)C1CCN(CC(F)(F)F)CC1 ZINC000131875922 1416639889 /nfs/dbraw/zinc/63/98/89/1416639889.db2.gz YLAQFAZTZQIBIE-UHFFFAOYSA-N 0 0 379.386 3.141 20 30 GGEDRN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc2cc(C#N)ccc2n1CC ZINC000131900626 1416645954 /nfs/dbraw/zinc/64/59/54/1416645954.db2.gz RKUXCUOQSYKFFI-YBSJANCESA-N 0 0 397.504 3.124 20 30 GGEDRN C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000131914234 1416649998 /nfs/dbraw/zinc/64/99/98/1416649998.db2.gz QPIWSEQCYGXUKF-CYBMUJFWSA-N 0 0 380.379 3.189 20 30 GGEDRN Cc1cc(C#N)ccc1C(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000178592084 1429115713 /nfs/dbraw/zinc/11/57/13/1429115713.db2.gz NHIKWNBRONXLNY-QZTJIDSGSA-N 0 0 377.488 3.406 20 30 GGEDRN Cc1nc(C(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)ccc1C#N ZINC000178593379 1429115855 /nfs/dbraw/zinc/11/58/55/1429115855.db2.gz NBXUEHLQVVUSNK-HRAATJIYSA-N 0 0 379.460 3.317 20 30 GGEDRN Cc1nc(CC(C)C)c(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000131925680 1416652821 /nfs/dbraw/zinc/65/28/21/1416652821.db2.gz QUQZOSMOTLWIGF-UHFFFAOYSA-N 0 0 383.521 3.316 20 30 GGEDRN C[C@@H]1CCCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000178590818 1429115918 /nfs/dbraw/zinc/11/59/18/1429115918.db2.gz HNDYUEOVLFUXAW-SJORKVTESA-N 0 0 384.524 3.230 20 30 GGEDRN N#CCOc1cccc(CC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000131947871 1416657251 /nfs/dbraw/zinc/65/72/51/1416657251.db2.gz NWHYZEKUYMWYCC-PZJWPPBQSA-N 0 0 382.435 3.385 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 ZINC000131947375 1416657328 /nfs/dbraw/zinc/65/73/28/1416657328.db2.gz RNDFTTGOGRCWMP-KDOFPFPSSA-N 0 0 386.473 3.240 20 30 GGEDRN N#CCOc1cccc(CC(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000131947471 1416657389 /nfs/dbraw/zinc/65/73/89/1416657389.db2.gz NWHYZEKUYMWYCC-FPOVZHCZSA-N 0 0 382.435 3.385 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1 ZINC000131947608 1416657402 /nfs/dbraw/zinc/65/74/02/1416657402.db2.gz RNDFTTGOGRCWMP-KSSFIOAISA-N 0 0 386.473 3.240 20 30 GGEDRN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1 ZINC000131950155 1416657801 /nfs/dbraw/zinc/65/78/01/1416657801.db2.gz OQJYAMJNRLKWQS-UHFFFAOYSA-N 0 0 393.487 3.469 20 30 GGEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2cc3ccccc3[nH]2)cc1 ZINC000131948974 1416657883 /nfs/dbraw/zinc/65/78/83/1416657883.db2.gz QLWZNQXIKPYKNI-UHFFFAOYSA-N 0 0 381.457 3.175 20 30 GGEDRN N#Cc1ccc(CSCC(=O)N2CCCN(C(=O)c3ccsc3)CC2)cc1 ZINC000131956419 1416659058 /nfs/dbraw/zinc/65/90/58/1416659058.db2.gz JJZBGEBRPOINPE-UHFFFAOYSA-N 0 0 399.541 3.228 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000131973755 1416664001 /nfs/dbraw/zinc/66/40/01/1416664001.db2.gz UYIOQXOCLDXVNV-AWEZNQCLSA-N 0 0 377.379 3.131 20 30 GGEDRN N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cc2ccc(OC(F)F)cc2)CC1 ZINC000178597732 1429117177 /nfs/dbraw/zinc/11/71/77/1429117177.db2.gz AXOQZLAXJASILY-IBGZPJMESA-N 0 0 385.414 3.240 20 30 GGEDRN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)N(C)[C@H](C)CC#N)c1 ZINC000131993500 1416668872 /nfs/dbraw/zinc/66/88/72/1416668872.db2.gz HFABALXCYOGGPH-OAHLLOKOSA-N 0 0 381.480 3.177 20 30 GGEDRN CCn1c(NC(=O)c2ccc3c(c2)NC(=O)CS3)nc2cc(C#N)ccc21 ZINC000131998716 1416670180 /nfs/dbraw/zinc/67/01/80/1416670180.db2.gz ANRHDGJKDJUPCU-UHFFFAOYSA-N 0 0 377.429 3.224 20 30 GGEDRN CCn1c(NC(=O)c2ccc(F)c(COCCOC)c2)nc2cc(C#N)ccc21 ZINC000132012052 1416673178 /nfs/dbraw/zinc/67/31/78/1416673178.db2.gz PGABJTINHDCBSF-UHFFFAOYSA-N 0 0 396.422 3.482 20 30 GGEDRN Cn1cc(C(=O)Nc2cccc(OC(=O)c3c(F)cc(C#N)cc3F)c2)cn1 ZINC000132015979 1416674097 /nfs/dbraw/zinc/67/40/97/1416674097.db2.gz KYMDEFBTRCIMLN-UHFFFAOYSA-N 0 0 382.326 3.041 20 30 GGEDRN COc1ccc(Cl)cc1CC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000178598250 1429118185 /nfs/dbraw/zinc/11/81/85/1429118185.db2.gz LGBYJCZOUZSZHV-LJQANCHMSA-N 0 0 383.879 3.300 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000132025538 1416676737 /nfs/dbraw/zinc/67/67/37/1416676737.db2.gz ZGNMTXXIECWPDR-UHFFFAOYSA-N 0 0 378.392 3.154 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000132030549 1416678211 /nfs/dbraw/zinc/67/82/11/1416678211.db2.gz SDMKAYDVCHAVQF-UHFFFAOYSA-N 0 0 388.406 3.434 20 30 GGEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@H](C)CC#N ZINC000132032121 1416679127 /nfs/dbraw/zinc/67/91/27/1416679127.db2.gz OQNSCXQWBRTOHC-OAHLLOKOSA-N 0 0 376.416 3.358 20 30 GGEDRN N#Cc1ccc(C(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1Cl ZINC000132058231 1416684853 /nfs/dbraw/zinc/68/48/53/1416684853.db2.gz AVKSKLKPKWAABN-CQSZACIVSA-N 0 0 398.768 3.400 20 30 GGEDRN CCN(C)C(=O)c1cccc(C(=O)Nc2nc3cc(C#N)ccc3n2CC)c1 ZINC000132061379 1416685470 /nfs/dbraw/zinc/68/54/70/1416685470.db2.gz XKGPSZKBHAKHEQ-UHFFFAOYSA-N 0 0 375.432 3.272 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cnccc1OC(C)(C)C ZINC000132065245 1416686728 /nfs/dbraw/zinc/68/67/28/1416686728.db2.gz IDJXPMJGMDOVJY-UHFFFAOYSA-N 0 0 392.463 3.361 20 30 GGEDRN CC(C)(C)c1cc(NC(=O)c2c(F)cc(C#N)cc2F)n(-c2ncccn2)n1 ZINC000132066971 1416686889 /nfs/dbraw/zinc/68/68/89/1416686889.db2.gz VPEBPKNLIZFTHY-UHFFFAOYSA-N 0 0 382.374 3.362 20 30 GGEDRN COC(=O)c1cccc(NC2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)c1 ZINC000178605108 1429119308 /nfs/dbraw/zinc/11/93/08/1429119308.db2.gz IQQAXMJFRKXOPW-MDZDMXLPSA-N 0 0 389.455 3.461 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)NCc2nnc(-c3ccccc3)s2)c1 ZINC000132084366 1416691515 /nfs/dbraw/zinc/69/15/15/1416691515.db2.gz FZUSJYCMGYNLCQ-UHFFFAOYSA-N 0 0 394.456 3.025 20 30 GGEDRN C#CCOc1ccc(NC(=O)c2ccc(Br)cc2-n2cncn2)cc1 ZINC000132087346 1416692652 /nfs/dbraw/zinc/69/26/52/1416692652.db2.gz PKGHCJQSXGZRKY-UHFFFAOYSA-N 0 0 397.232 3.294 20 30 GGEDRN CN1C(=O)C[C@H](COC(=O)COc2ccc(C#N)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000132097849 1416695546 /nfs/dbraw/zinc/69/55/46/1416695546.db2.gz CHTYGIFBWHOGQD-IERDGZPVSA-N 0 0 398.846 3.353 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c1 ZINC000132101544 1416696146 /nfs/dbraw/zinc/69/61/46/1416696146.db2.gz RVMIZCWMYDYBER-HXUWFJFHSA-N 0 0 381.432 3.301 20 30 GGEDRN N#Cc1ccc(C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1Cl ZINC000132100788 1416696245 /nfs/dbraw/zinc/69/62/45/1416696245.db2.gz DUEOUMREDULNBX-OAHLLOKOSA-N 0 0 393.226 3.100 20 30 GGEDRN N#Cc1ccc(C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1Cl ZINC000132100573 1416696483 /nfs/dbraw/zinc/69/64/83/1416696483.db2.gz DUEOUMREDULNBX-HNNXBMFYSA-N 0 0 393.226 3.100 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c1 ZINC000132101677 1416696589 /nfs/dbraw/zinc/69/65/89/1416696589.db2.gz RVMIZCWMYDYBER-FQEVSTJZSA-N 0 0 381.432 3.301 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C ZINC000132120781 1416701087 /nfs/dbraw/zinc/70/10/87/1416701087.db2.gz OVXSJDZBFZBICE-MRXNPFEDSA-N 0 0 399.520 3.204 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000132131045 1416703932 /nfs/dbraw/zinc/70/39/32/1416703932.db2.gz AXLQPHGUNWTWMD-MRXNPFEDSA-N 0 0 387.443 3.458 20 30 GGEDRN Cc1cccc([C@@H](O)CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000132156807 1416708859 /nfs/dbraw/zinc/70/88/59/1416708859.db2.gz ZQRCPIYKGLXYTJ-SFHVURJKSA-N 0 0 376.378 3.398 20 30 GGEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000132158802 1416709249 /nfs/dbraw/zinc/70/92/49/1416709249.db2.gz IWNQYDNZBJSLGL-AEFFLSMTSA-N 0 0 398.450 3.411 20 30 GGEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000132158376 1416709299 /nfs/dbraw/zinc/70/92/99/1416709299.db2.gz IWNQYDNZBJSLGL-SJLPKXTDSA-N 0 0 398.450 3.411 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)NCCc2cc(F)cc(F)c2)CC1 ZINC000132185457 1416713430 /nfs/dbraw/zinc/71/34/30/1416713430.db2.gz ZHNMPOTYUXWOEI-UHFFFAOYSA-N 0 0 388.393 3.050 20 30 GGEDRN C[C@@H](O)c1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC000178611298 1429121533 /nfs/dbraw/zinc/12/15/33/1429121533.db2.gz ODXUBEAECSZUOQ-LLVKDONJSA-N 0 0 384.379 3.109 20 30 GGEDRN N#Cc1ncn(CC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)n1 ZINC000178612244 1429121566 /nfs/dbraw/zinc/12/15/66/1429121566.db2.gz NYOIAVJOEKDLGW-UHFFFAOYSA-N 0 0 391.325 3.164 20 30 GGEDRN N#CCOc1cccc(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000132184239 1416713619 /nfs/dbraw/zinc/71/36/19/1416713619.db2.gz OKLBDANMAGMMPX-IBGZPJMESA-N 0 0 378.428 3.266 20 30 GGEDRN C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1 ZINC000132190461 1416714743 /nfs/dbraw/zinc/71/47/43/1416714743.db2.gz DKNRDNYPIBBLGG-CYBMUJFWSA-N 0 0 385.443 3.008 20 30 GGEDRN COC(=O)c1cc(S(=O)(=O)NC2(C#N)CCCCC2)c(Cl)cc1Cl ZINC000132223236 1416719916 /nfs/dbraw/zinc/71/99/16/1416719916.db2.gz AFONVWUBSDQCOF-UHFFFAOYSA-N 0 0 391.276 3.285 20 30 GGEDRN COC(=O)CCN(C(=O)c1c(F)cc(C#N)cc1F)c1nc2ccccc2o1 ZINC000132222585 1416719932 /nfs/dbraw/zinc/71/99/32/1416719932.db2.gz UQUWSUUVMAFUAC-UHFFFAOYSA-N 0 0 385.326 3.188 20 30 GGEDRN CCOc1cc(Cl)ccc1NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000132227223 1416720223 /nfs/dbraw/zinc/72/02/23/1416720223.db2.gz BWRCVEMMOLBHKE-UHFFFAOYSA-N 0 0 375.787 3.004 20 30 GGEDRN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC(C#N)CC1 ZINC000178616383 1429123068 /nfs/dbraw/zinc/12/30/68/1429123068.db2.gz IFKDCBHNOHIHGX-GFCCVEGCSA-N 0 0 385.449 3.281 20 30 GGEDRN C[C@H]1CN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000132241443 1416722503 /nfs/dbraw/zinc/72/25/03/1416722503.db2.gz TWWGQQYNQPLTRJ-GJZGRUSLSA-N 0 0 381.436 3.490 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2Cc3cc(F)ccc3O2)ccc1OC ZINC000132245462 1416722800 /nfs/dbraw/zinc/72/28/00/1416722800.db2.gz ZZQUHCAQQHDFGW-OXQOHEQNSA-N 0 0 384.407 3.135 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)ccc1OC ZINC000132245061 1416723062 /nfs/dbraw/zinc/72/30/62/1416723062.db2.gz ZZQUHCAQQHDFGW-UZLBHIALSA-N 0 0 384.407 3.135 20 30 GGEDRN CCn1c(NC(=O)CCOc2ccccc2[N+](=O)[O-])nc2cc(C#N)ccc21 ZINC000132256323 1416724924 /nfs/dbraw/zinc/72/49/24/1416724924.db2.gz INBGFVKZIUJHGZ-UHFFFAOYSA-N 0 0 379.376 3.244 20 30 GGEDRN CN(Cc1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000132262220 1416725762 /nfs/dbraw/zinc/72/57/62/1416725762.db2.gz YSESLCHEEBYHCZ-UHFFFAOYSA-N 0 0 388.342 3.417 20 30 GGEDRN Cc1cc(N2CCC(NC(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)nc(C)n1 ZINC000178622633 1429123850 /nfs/dbraw/zinc/12/38/50/1429123850.db2.gz NSDVORXGHJGLNS-UHFFFAOYSA-N 0 0 395.511 3.312 20 30 GGEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCOC[C@@H]2C2CC2)c1C#N ZINC000132341605 1416740705 /nfs/dbraw/zinc/74/07/05/1416740705.db2.gz XPNRHPYKFCBCJF-HXUWFJFHSA-N 0 0 396.491 3.057 20 30 GGEDRN COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cnc(-c3ccccc3)nc2C)c1 ZINC000132347773 1416742210 /nfs/dbraw/zinc/74/22/10/1416742210.db2.gz ZLTJLAZKFHUYOO-GOSISDBHSA-N 0 0 386.411 3.422 20 30 GGEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000178628467 1429125094 /nfs/dbraw/zinc/12/50/94/1429125094.db2.gz GKNLEWDKRFWEQI-IBGZPJMESA-N 0 0 392.377 3.282 20 30 GGEDRN N#CCCN(C(=O)CCC(=O)Oc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000132365090 1416746449 /nfs/dbraw/zinc/74/64/49/1416746449.db2.gz LAVBKTWBUKTWBD-UHFFFAOYSA-N 0 0 385.351 3.366 20 30 GGEDRN CCCCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2F)C1(C)C ZINC000132371993 1416747569 /nfs/dbraw/zinc/74/75/69/1416747569.db2.gz RUSQNPKIVDFZNP-IAGOWNOFSA-N 0 0 375.444 3.078 20 30 GGEDRN CCCCO[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(F)cc2C#N)C1(C)C ZINC000132384190 1416749876 /nfs/dbraw/zinc/74/98/76/1416749876.db2.gz DKUACYOMMGFREL-IRXDYDNUSA-N 0 0 375.444 3.078 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C#N)c2C)s1 ZINC000178633402 1429125673 /nfs/dbraw/zinc/12/56/73/1429125673.db2.gz YHHVRCHHCPOQKP-MRXNPFEDSA-N 0 0 389.502 3.028 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccnc1OCC(F)F ZINC000132419101 1416755980 /nfs/dbraw/zinc/75/59/80/1416755980.db2.gz FPZHHYRMHXUOAM-UHFFFAOYSA-N 0 0 386.402 3.495 20 30 GGEDRN COc1cc(C[N@@H+]2CC[C@@H](/N=C/c3cc([N+](=O)[O-])ccc3[O-])C2)cc(OC)c1 ZINC000132442781 1416761870 /nfs/dbraw/zinc/76/18/70/1416761870.db2.gz INZKZHISTMMQMH-BTZNOAQDSA-N 0 0 385.420 3.011 20 30 GGEDRN O=C(Nc1ccc(C(F)(F)F)nc1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000132447590 1416762244 /nfs/dbraw/zinc/76/22/44/1416762244.db2.gz GFEZTKBQURFNFN-UHFFFAOYSA-N 0 0 388.287 3.150 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(C)cc1SC ZINC000132456650 1416764587 /nfs/dbraw/zinc/76/45/87/1416764587.db2.gz MLNKNFIZEWSREA-UHFFFAOYSA-N 0 0 386.448 3.123 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C#N)c2C)c1 ZINC000178640682 1429127005 /nfs/dbraw/zinc/12/70/05/1429127005.db2.gz QDQUQTCJZQSENM-UHFFFAOYSA-N 0 0 385.489 3.458 20 30 GGEDRN C=CCOc1cccc(NC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)c1 ZINC000132467786 1416767397 /nfs/dbraw/zinc/76/73/97/1416767397.db2.gz JKOKXNHKYRALDN-QGZVFWFLSA-N 0 0 387.386 3.457 20 30 GGEDRN N#CCCN(C(=O)CCC(=O)Nc1cc(-c2cccnc2)[nH]n1)c1ccccc1 ZINC000132492393 1416772348 /nfs/dbraw/zinc/77/23/48/1416772348.db2.gz QPROTBSWOUWBHI-UHFFFAOYSA-N 0 0 388.431 3.137 20 30 GGEDRN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000132502159 1416774256 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389.477 3.132 20 30 GGEDRN N#CCCn1ccc(NC(=O)C(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)n1 ZINC000134241055 1417043046 /nfs/dbraw/zinc/04/30/46/1417043046.db2.gz ONCFSTGGHYOXKT-CVTTXWKISA-N 0 0 391.475 3.220 20 30 GGEDRN CSCC[C@@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000134241490 1417043174 /nfs/dbraw/zinc/04/31/74/1417043174.db2.gz DYDWOXVPXYXXAM-CYBMUJFWSA-N 0 0 388.493 3.280 20 30 GGEDRN CN(C(=O)CN(CCCO)Cc1cccc(Cl)c1)C1(C#N)CCCCC1 ZINC000134290502 1417050544 /nfs/dbraw/zinc/05/05/44/1417050544.db2.gz LBDGIETYPMRTDZ-UHFFFAOYSA-N 0 0 377.916 3.209 20 30 GGEDRN C=C[C@@H](CC(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1)c1ccccc1 ZINC000134291572 1417050581 /nfs/dbraw/zinc/05/05/81/1417050581.db2.gz BBRSSKAAZNJBMO-GMAHTHKFSA-N 0 0 378.516 3.406 20 30 GGEDRN COc1cc(CCNC(=O)COc2ccc(C#N)cc2F)ccc1OC(F)F ZINC000134315333 1417054633 /nfs/dbraw/zinc/05/46/33/1417054633.db2.gz SXZXTZKBVBAFCW-UHFFFAOYSA-N 0 0 394.349 3.045 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(F)cc3[N+](=O)[O-])C2)c(F)c1 ZINC000134318758 1417054954 /nfs/dbraw/zinc/05/49/54/1417054954.db2.gz HRUXLBQVKHXNSF-CQSZACIVSA-N 0 0 386.358 3.143 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000134342441 1417057893 /nfs/dbraw/zinc/05/78/93/1417057893.db2.gz SHRKEYYJLLGORF-UHFFFAOYSA-N 0 0 394.397 3.159 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)Cn2cnc3sc(C)cc3c2=O)cc1 ZINC000134344406 1417058014 /nfs/dbraw/zinc/05/80/14/1417058014.db2.gz GOJQOJOLDLRNHI-UHFFFAOYSA-N 0 0 396.472 3.112 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)c1C#N ZINC000134353742 1417058993 /nfs/dbraw/zinc/05/89/93/1417058993.db2.gz KNOUKBUYGGINFC-QFBILLFUSA-N 0 0 395.459 3.293 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccco2)c1C#N ZINC000134353705 1417059293 /nfs/dbraw/zinc/05/92/93/1417059293.db2.gz KNOUKBUYGGINFC-LPHOPBHVSA-N 0 0 395.459 3.293 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000134355383 1417060042 /nfs/dbraw/zinc/06/00/42/1417060042.db2.gz RUBPPKOXBBPLDU-IEBWSBKVSA-N 0 0 395.459 3.293 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000134355402 1417060079 /nfs/dbraw/zinc/06/00/79/1417060079.db2.gz RUBPPKOXBBPLDU-PKOBYXMFSA-N 0 0 395.459 3.293 20 30 GGEDRN N#Cc1ccc(NC(=O)NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000134357328 1417060466 /nfs/dbraw/zinc/06/04/66/1417060466.db2.gz BMRGJVCFEHDOJM-HNNXBMFYSA-N 0 0 393.365 3.430 20 30 GGEDRN C[C@@H]1CN(Cc2ccccc2NC(=O)C#Cc2ccc3c(c2)OCO3)C[C@@H](C)O1 ZINC000134379086 1417062557 /nfs/dbraw/zinc/06/25/57/1417062557.db2.gz WQKLSLWMXPKOET-IAGOWNOFSA-N 0 0 392.455 3.015 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)Cn1cnc(C2CCC2)cc1=O ZINC000134390571 1417063698 /nfs/dbraw/zinc/06/36/98/1417063698.db2.gz LYZCZEMHMAYVIG-CQSZACIVSA-N 0 0 382.489 3.401 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1cnc(C2CCC2)cc1=O ZINC000134390592 1417063735 /nfs/dbraw/zinc/06/37/35/1417063735.db2.gz LYZCZEMHMAYVIG-AWEZNQCLSA-N 0 0 382.489 3.401 20 30 GGEDRN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000134397848 1417064589 /nfs/dbraw/zinc/06/45/89/1417064589.db2.gz JZGYOLFWYBXCAL-GOSISDBHSA-N 0 0 395.463 3.011 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000178733358 1429155996 /nfs/dbraw/zinc/15/59/96/1429155996.db2.gz BFNFWOMLXCSFMA-HNNXBMFYSA-N 0 0 385.272 3.185 20 30 GGEDRN CCCn1c(C)nnc1SCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000134461126 1417072054 /nfs/dbraw/zinc/07/20/54/1417072054.db2.gz AIYAUWUQBDYZCG-UHFFFAOYSA-N 0 0 396.438 3.275 20 30 GGEDRN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000134465400 1417072765 /nfs/dbraw/zinc/07/27/65/1417072765.db2.gz GYDPWGHSFOESAO-JKSUJKDBSA-N 0 0 377.872 3.202 20 30 GGEDRN CCC1(CC)[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C[C@@H]1OC ZINC000134469597 1417073376 /nfs/dbraw/zinc/07/33/76/1417073376.db2.gz SIVSRVSEXPOBAZ-CVEARBPZSA-N 0 0 377.872 3.202 20 30 GGEDRN CCCn1c(C)nnc1S[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000134470519 1417073736 /nfs/dbraw/zinc/07/37/36/1417073736.db2.gz QZYSGMYTXFKPHN-CQSZACIVSA-N 0 0 387.509 3.433 20 30 GGEDRN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Cc1cccc(OCC#N)c1 ZINC000134471197 1417073843 /nfs/dbraw/zinc/07/38/43/1417073843.db2.gz ZJNBJZVNFZAAHG-OAQYLSRUSA-N 0 0 384.451 3.489 20 30 GGEDRN N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(-n3cccn3)n2)cc1 ZINC000134476769 1417074815 /nfs/dbraw/zinc/07/48/15/1417074815.db2.gz BWXIVHKFGWOSPZ-UHFFFAOYSA-N 0 0 385.349 3.344 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)N(C)[C@H](C)[C@@H]2Cc3ccccc3O2)c1 ZINC000134514071 1417079517 /nfs/dbraw/zinc/07/95/17/1417079517.db2.gz DDTIYIVXYSWSGU-QRWLVFNGSA-N 0 0 380.444 3.041 20 30 GGEDRN CC(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 ZINC000134533475 1417083422 /nfs/dbraw/zinc/08/34/22/1417083422.db2.gz STQFXEREENSCQB-UHFFFAOYSA-N 0 0 383.835 3.308 20 30 GGEDRN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000134541325 1417084386 /nfs/dbraw/zinc/08/43/86/1417084386.db2.gz FJGHOFSGUDAWIT-SJORKVTESA-N 0 0 378.432 3.097 20 30 GGEDRN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000134541286 1417084528 /nfs/dbraw/zinc/08/45/28/1417084528.db2.gz FJGHOFSGUDAWIT-IRXDYDNUSA-N 0 0 378.432 3.097 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(C(=O)NCCCN2CCOCC2)cc1Cl ZINC000134546097 1417084783 /nfs/dbraw/zinc/08/47/83/1417084783.db2.gz LWEFTTKMQDCGJW-UHFFFAOYSA-N 0 0 399.878 3.456 20 30 GGEDRN CC(C)(C#N)CCCS(=O)(=O)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000134585378 1417091903 /nfs/dbraw/zinc/09/19/03/1417091903.db2.gz LDYUNZMOVFALCW-UHFFFAOYSA-N 0 0 387.383 3.399 20 30 GGEDRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C#Cc2ccc3c(c2)OCO3)cc1 ZINC000134636932 1417102222 /nfs/dbraw/zinc/10/22/22/1417102222.db2.gz IFAMETHCXNVWJU-MRXNPFEDSA-N 0 0 390.439 3.420 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@H]2CCOC3(CCCC3)C2)c(C(F)(F)F)c1 ZINC000134642915 1417103432 /nfs/dbraw/zinc/10/34/32/1417103432.db2.gz AGAZAQBWGOPNGJ-ZDUSSCGKSA-N 0 0 388.411 3.347 20 30 GGEDRN CC(C)CNC(=O)c1ccc(NC(=O)C#Cc2ccc3c(c2)OCO3)cc1Cl ZINC000134655164 1417106785 /nfs/dbraw/zinc/10/67/85/1417106785.db2.gz JZKMGAHNEBICFS-UHFFFAOYSA-N 0 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398.507 3.198 20 30 GGEDRN C=C(C)COCCNC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 ZINC000135000509 1417159353 /nfs/dbraw/zinc/15/93/53/1417159353.db2.gz SWLWHDNWYIGODV-UHFFFAOYSA-N 0 0 380.492 3.036 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000135010230 1417160577 /nfs/dbraw/zinc/16/05/77/1417160577.db2.gz KLMIPCQMPOUOCM-CQSZACIVSA-N 0 0 389.235 3.016 20 30 GGEDRN COc1ccc(CN2CCN(C(=O)CCCc3ccccc3)CC2)cc1C#N ZINC000135015760 1417161724 /nfs/dbraw/zinc/16/17/24/1417161724.db2.gz FWUYDKCVSBEDHR-UHFFFAOYSA-N 0 0 377.488 3.234 20 30 GGEDRN COc1ccc(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1C#N ZINC000135016215 1417161753 /nfs/dbraw/zinc/16/17/53/1417161753.db2.gz HOTSDZJOOPCXNP-UHFFFAOYSA-N 0 0 383.455 3.309 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccc(Cl)c(F)c2)c1 ZINC000135059536 1417168503 /nfs/dbraw/zinc/16/85/03/1417168503.db2.gz IRASYXASWFQBFE-UHFFFAOYSA-N 0 0 396.871 3.216 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000178764271 1429163323 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GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C ZINC000135120497 1417174122 /nfs/dbraw/zinc/17/41/22/1417174122.db2.gz OFRCTDYCARVPNL-SFHVURJKSA-N 0 0 393.535 3.079 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)Cc2nc(-c3ccc(F)c(F)c3)no2)c1 ZINC000135132265 1417175980 /nfs/dbraw/zinc/17/59/80/1417175980.db2.gz CMXPHACMVLQXFC-UHFFFAOYSA-N 0 0 382.370 3.067 20 30 GGEDRN COc1cccc(CC(=O)N2CCN(Cc3ccccc3C(C)(C)C#N)CC2)c1 ZINC000135147547 1417178244 /nfs/dbraw/zinc/17/82/44/1417178244.db2.gz LHXBFMNCSFSXCY-UHFFFAOYSA-N 0 0 391.515 3.383 20 30 GGEDRN CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2cnc3ccc(C)cn23)C1=O ZINC000178766630 1429164178 /nfs/dbraw/zinc/16/41/78/1429164178.db2.gz PHWKSIKWFDADRX-BOPFTXTBSA-N 0 0 389.411 3.470 20 30 GGEDRN N#Cc1ccccc1N1CCN(Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CC1 ZINC000135172827 1417181286 /nfs/dbraw/zinc/18/12/86/1417181286.db2.gz RDJODZKVADDUOG-UHFFFAOYSA-N 0 0 399.376 3.348 20 30 GGEDRN COc1ccc(C2N=NC(=S)N2CC(=O)Nc2cccc(C#N)c2C)cc1 ZINC000178768626 1429165097 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397.385 3.417 20 30 GGEDRN CCO[C@H](C)c1noc(CN2CCN(Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000135256415 1417197795 /nfs/dbraw/zinc/19/77/95/1417197795.db2.gz SYUIYUABXLFDSX-QGZVFWFLSA-N 0 0 397.523 3.286 20 30 GGEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc(OCC(F)F)n1 ZINC000135255965 1417198041 /nfs/dbraw/zinc/19/80/41/1417198041.db2.gz LVXGZOMOCQHPFM-UHFFFAOYSA-N 0 0 388.374 3.345 20 30 GGEDRN N#CCOc1cc(F)ccc1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000135263106 1417199107 /nfs/dbraw/zinc/19/91/07/1417199107.db2.gz LLDYJVAFSAOSLX-UHFFFAOYSA-N 0 0 397.385 3.093 20 30 GGEDRN N#CCOc1cc(F)ccc1NC(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000135264362 1417199151 /nfs/dbraw/zinc/19/91/51/1417199151.db2.gz TZRRTUMOKZTDBT-UHFFFAOYSA-N 0 0 396.422 3.108 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000135264858 1417199168 /nfs/dbraw/zinc/19/91/68/1417199168.db2.gz PSSBUKDAVYHZCU-CXAGYDPISA-N 0 0 381.451 3.340 20 30 GGEDRN COc1cc(-c2noc(CN(CCC#N)Cc3ccco3)n2)cc(OC)c1OC ZINC000135270275 1417199571 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GGEDRN N#CCOc1cc(F)ccc1NC(=O)NCc1cccnc1OCC(F)(F)F ZINC000135288519 1417203457 /nfs/dbraw/zinc/20/34/57/1417203457.db2.gz LMWZCJJIFZCPPM-UHFFFAOYSA-N 0 0 398.316 3.386 20 30 GGEDRN O=C1C(=O)N(C2CCCCC2)C(=O)N1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000135291376 1417203933 /nfs/dbraw/zinc/20/39/33/1417203933.db2.gz YRAGILSKFBZOSH-UHFFFAOYSA-N 0 0 394.349 3.060 20 30 GGEDRN COc1ccccc1N1CC[C@H](CNC(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000135302203 1417205308 /nfs/dbraw/zinc/20/53/08/1417205308.db2.gz GAIQCOLIHGISNS-OAHLLOKOSA-N 0 0 398.438 3.385 20 30 GGEDRN CN(C)[C@@H](CNC(=O)Nc1ccc(F)cc1OCC#N)c1c(F)cccc1F ZINC000135314981 1417206733 /nfs/dbraw/zinc/20/67/33/1417206733.db2.gz MXYZUFZYTXNWEA-INIZCTEOSA-N 0 0 392.381 3.431 20 30 GGEDRN N#CCOc1cc(F)ccc1NC(=O)NCc1ccnc(OCC(F)(F)F)c1 ZINC000135322726 1417207634 /nfs/dbraw/zinc/20/76/34/1417207634.db2.gz ZEMJPFFZWAXEKD-UHFFFAOYSA-N 0 0 398.316 3.386 20 30 GGEDRN COC(=O)[C@H](NC[C@@H](C)Cc1ccc(OC)c(OC)c1)c1cccc(C#N)c1 ZINC000135330854 1417208613 /nfs/dbraw/zinc/20/86/13/1417208613.db2.gz DWSGHMRHIKBEDO-YCRPNKLZSA-N 0 0 382.460 3.258 20 30 GGEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccnc3ccnn32)cc1C ZINC000135335696 1417209690 /nfs/dbraw/zinc/20/96/90/1417209690.db2.gz ALRHTQDGYCLCNG-UHFFFAOYSA-N 0 0 385.431 3.376 20 30 GGEDRN N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(Oc3cnccn3)c2)CC1 ZINC000135353900 1417210329 /nfs/dbraw/zinc/21/03/29/1417210329.db2.gz IOZQFOYVSPKVMG-NRFANRHFSA-N 0 0 399.454 3.292 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)COc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000135350266 1417210644 /nfs/dbraw/zinc/21/06/44/1417210644.db2.gz QKPDDAFLHWBHOO-UHFFFAOYSA-N 0 0 387.367 3.458 20 30 GGEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000135368680 1417211786 /nfs/dbraw/zinc/21/17/86/1417211786.db2.gz FKCQQSVOSOSUKC-KBPBESRZSA-N 0 0 391.397 3.077 20 30 GGEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000135372594 1417212341 /nfs/dbraw/zinc/21/23/41/1417212341.db2.gz GHIBGYBAJLRKQL-UHFFFAOYSA-N 0 0 393.413 3.251 20 30 GGEDRN C[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1cccc(C(F)(F)F)c1 ZINC000135371144 1417212395 /nfs/dbraw/zinc/21/23/95/1417212395.db2.gz XJQINKNUPUQRRS-GFCCVEGCSA-N 0 0 393.413 3.467 20 30 GGEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000135375894 1417212722 /nfs/dbraw/zinc/21/27/22/1417212722.db2.gz VOJQJLMKMMINLL-ZIAGYGMSSA-N 0 0 392.290 3.365 20 30 GGEDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000135378929 1417212757 /nfs/dbraw/zinc/21/27/57/1417212757.db2.gz KQARCKCLDYKRNN-UHFFFAOYSA-N 0 0 390.491 3.284 20 30 GGEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000135377726 1417212833 /nfs/dbraw/zinc/21/28/33/1417212833.db2.gz JKHADTLDGCTPDF-UHFFFAOYSA-N 0 0 391.262 3.356 20 30 GGEDRN CC(=CC(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1cccc(C(F)(F)F)c1 ZINC000135379951 1417213073 /nfs/dbraw/zinc/21/30/73/1417213073.db2.gz ASAFUPZHRVOGLH-XFXZXTDPSA-N 0 0 391.397 3.377 20 30 GGEDRN CCc1ccc(-c2ccc(C(=O)N(C)CCCc3[nH]nc(N)c3C#N)o2)cc1 ZINC000135382274 1417213274 /nfs/dbraw/zinc/21/32/74/1417213274.db2.gz OCXYMAJKNLFCCA-UHFFFAOYSA-N 0 0 377.448 3.391 20 30 GGEDRN CCCOc1ccc(Cl)cc1C(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000135384926 1417213281 /nfs/dbraw/zinc/21/32/81/1417213281.db2.gz VDJLBINHNJGHLF-UHFFFAOYSA-N 0 0 375.860 3.011 20 30 GGEDRN COc1cc(-c2ccccc2)sc1C(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000135382990 1417213293 /nfs/dbraw/zinc/21/32/93/1417213293.db2.gz DCSSGJIIQLYPHK-UHFFFAOYSA-N 0 0 395.488 3.305 20 30 GGEDRN CSC[C@@H]1CCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000135436062 1417219693 /nfs/dbraw/zinc/21/96/93/1417219693.db2.gz FQGUUARVOOWZHT-INIZCTEOSA-N 0 0 386.521 3.384 20 30 GGEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 ZINC000135472452 1417224661 /nfs/dbraw/zinc/22/46/61/1417224661.db2.gz REFMPDHJDKAQAQ-CYBMUJFWSA-N 0 0 377.404 3.080 20 30 GGEDRN CCc1ccc([C@H](NC(=O)Cn2c(C)nc(C#N)c2C#N)c2cccs2)cc1 ZINC000135474833 1417224999 /nfs/dbraw/zinc/22/49/99/1417224999.db2.gz TUPXTTSNJBTHOD-NRFANRHFSA-N 0 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1417226916 /nfs/dbraw/zinc/22/69/16/1417226916.db2.gz DLTDTOYOUPKLDL-NRFANRHFSA-N 0 0 389.846 3.494 20 30 GGEDRN C=CCc1cc(C(=O)NCc2cccnc2OCC(F)F)cc(OC)c1OC ZINC000135491416 1417227306 /nfs/dbraw/zinc/22/73/06/1417227306.db2.gz HVKSSADOUKOSDO-UHFFFAOYSA-N 0 0 392.402 3.401 20 30 GGEDRN N#C[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)CCN1Cc1ccccc1 ZINC000135493150 1417228322 /nfs/dbraw/zinc/22/83/22/1417228322.db2.gz SWPDLFZTDJBNBX-IBGZPJMESA-N 0 0 390.418 3.331 20 30 GGEDRN CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC(C)(C)C)cc1 ZINC000135507895 1417230577 /nfs/dbraw/zinc/23/05/77/1417230577.db2.gz NVTIFRQKAMJXLF-LTGZKZEYSA-N 0 0 380.514 3.200 20 30 GGEDRN C[C@@H](NC(=O)NCc1cccc(OCC#N)c1)c1noc(-c2ccccc2)n1 ZINC000135533361 1417234095 /nfs/dbraw/zinc/23/40/95/1417234095.db2.gz LCDMXTBTKKMIHC-CQSZACIVSA-N 0 0 377.404 3.199 20 30 GGEDRN CN(C)c1nnc(-c2ccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc2)o1 ZINC000135535134 1417234525 /nfs/dbraw/zinc/23/45/25/1417234525.db2.gz HYAFXFLHHSISDD-UHFFFAOYSA-N 0 0 391.431 3.470 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GGEDRN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)CCC#N)C2)c2ccccc12 ZINC000135927144 1417278502 /nfs/dbraw/zinc/27/85/02/1417278502.db2.gz OVJNSZMXLKLUCV-MRXNPFEDSA-N 0 0 379.460 3.073 20 30 GGEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H]3CCn4cncc4C3)c2)c1 ZINC000135942729 1417280275 /nfs/dbraw/zinc/28/02/75/1417280275.db2.gz FZWXCCYDYDHPDQ-LJQANCHMSA-N 0 0 399.450 3.271 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c(F)c1 ZINC000135957414 1417281631 /nfs/dbraw/zinc/28/16/31/1417281631.db2.gz CKEMBPARUCELGA-CQSZACIVSA-N 0 0 392.390 3.183 20 30 GGEDRN CN(Cc1ccccc1OC(F)(F)F)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000135953211 1417281743 /nfs/dbraw/zinc/28/17/43/1417281743.db2.gz CYWGFKYOJZGZNH-UHFFFAOYSA-N 0 0 395.312 3.193 20 30 GGEDRN COc1ccccc1C1(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)CCCC1 ZINC000136034580 1417287868 /nfs/dbraw/zinc/28/78/68/1417287868.db2.gz KYBXDYCDKYVPGB-UHFFFAOYSA-N 0 0 395.434 3.273 20 30 GGEDRN Cc1cc(Cl)ccc1OCCCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136059906 1417289312 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GGEDRN C=CCN(CCc1ccccc1)C(=O)Nc1ccccc1N(C)S(C)(=O)=O ZINC000136252483 1417304969 /nfs/dbraw/zinc/30/49/69/1417304969.db2.gz YDPOMISPGQMCKX-UHFFFAOYSA-N 0 0 387.505 3.345 20 30 GGEDRN CCN(Cc1ccccc1)C(=O)CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000178800121 1429173932 /nfs/dbraw/zinc/17/39/32/1429173932.db2.gz DJVXIINMHRYYDA-HXUWFJFHSA-N 0 0 378.476 3.379 20 30 GGEDRN C=CCNc1ncc(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)s1 ZINC000136266155 1417306541 /nfs/dbraw/zinc/30/65/41/1417306541.db2.gz YXXMDEUCAGZYEA-KRWDZBQOSA-N 0 0 375.469 3.466 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCCCO[C@H]2CCCc3ccccc32)c(F)c1 ZINC000136280889 1417306824 /nfs/dbraw/zinc/30/68/24/1417306824.db2.gz QLFURVWRKMKHBK-FQEVSTJZSA-N 0 0 395.434 3.236 20 30 GGEDRN O=C(C#Cc1ccc2c(c1)OCO2)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000136297167 1417307717 /nfs/dbraw/zinc/30/77/17/1417307717.db2.gz NCFACWDZPMQNFF-MRXNPFEDSA-N 0 0 382.391 3.136 20 30 GGEDRN C=C[C@@H](CC(=O)N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1)c1ccccc1 ZINC000136324881 1417309024 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378.363 3.168 20 30 GGEDRN COc1cc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)ccc1Cl ZINC000136465660 1417319127 /nfs/dbraw/zinc/31/91/27/1417319127.db2.gz KLUPALFUWOAIPW-CYBMUJFWSA-N 0 0 394.822 3.349 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](CSc3ccccc3)C2)c(F)c1 ZINC000136464439 1417319271 /nfs/dbraw/zinc/31/92/71/1417319271.db2.gz RCLQEZHNPZMNCV-HNNXBMFYSA-N 0 0 383.448 3.277 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)c(F)c1 ZINC000136506666 1417322093 /nfs/dbraw/zinc/32/20/93/1417322093.db2.gz ITSHQJIRXXAZQQ-UHFFFAOYSA-N 0 0 397.740 3.207 20 30 GGEDRN Cc1cc(C)c(C(=O)C(C(=S)NC[C@@H]2CCOC2)[n+]2cccc([O-])c2)cc1C ZINC000136510527 1417322474 /nfs/dbraw/zinc/32/24/74/1417322474.db2.gz RUNMXEAGVHAQRI-KRWDZBQOSA-O 0 0 399.536 3.170 20 30 GGEDRN Cc1cc(C)c(C(=O)C(C(=S)NC[C@H]2CCOC2)[n+]2cccc([O-])c2)cc1C ZINC000136510564 1417322631 /nfs/dbraw/zinc/32/26/31/1417322631.db2.gz RUNMXEAGVHAQRI-QGZVFWFLSA-O 0 0 399.536 3.170 20 30 GGEDRN COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(-c3ccccn3)s2)c1 ZINC000136577219 1417328683 /nfs/dbraw/zinc/32/86/83/1417328683.db2.gz JZXVJHZPUFVXGD-AWEZNQCLSA-N 0 0 378.413 3.175 20 30 GGEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCn2cnnc2C2CC2)cc1 ZINC000136578106 1417328833 /nfs/dbraw/zinc/32/88/33/1417328833.db2.gz ICDDCZQVSXPRJQ-UHFFFAOYSA-N 0 0 391.406 3.389 20 30 GGEDRN CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(S(C)(=O)=O)cc(C)c2C)cc1 ZINC000136613941 1417332277 /nfs/dbraw/zinc/33/22/77/1417332277.db2.gz QNPFHMXNZFLKRU-LJQANCHMSA-N 0 0 398.484 3.231 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCCc2csc(-c3ccccc3)n2)c(F)c1 ZINC000136613993 1417332367 /nfs/dbraw/zinc/33/23/67/1417332367.db2.gz BEDHUDQJGBRYAE-UHFFFAOYSA-N 0 0 394.431 3.118 20 30 GGEDRN N#Cc1ccc(OCc2cccc(C(=O)NCCn3cnnc3C3CC3)c2)cc1 ZINC000136618067 1417332425 /nfs/dbraw/zinc/33/24/25/1417332425.db2.gz MWIVGSLVLCHHEN-UHFFFAOYSA-N 0 0 387.443 3.036 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccc(OCC2CC2)c(F)c1 ZINC000136649334 1417335245 /nfs/dbraw/zinc/33/52/45/1417335245.db2.gz CONVBRKBQPORLA-GFCCVEGCSA-N 0 0 399.397 3.441 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)N2CCO[C@H](c3ccc(F)c(C)c3)C2)c1 ZINC000136653930 1417335751 /nfs/dbraw/zinc/33/57/51/1417335751.db2.gz GAKSHIGTCKFIRO-FQEVSTJZSA-N 0 0 398.434 3.238 20 30 GGEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(-c3ccccn3)s2)cc1 ZINC000136681113 1417337977 /nfs/dbraw/zinc/33/79/77/1417337977.db2.gz MVUSDUBVEVYSLR-AWEZNQCLSA-N 0 0 378.413 3.175 20 30 GGEDRN N#Cc1ccc(OCCN[C@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)cc1 ZINC000136679767 1417338064 /nfs/dbraw/zinc/33/80/64/1417338064.db2.gz JKVWIRLQWYFVKT-KRWDZBQOSA-N 0 0 387.365 3.453 20 30 GGEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(C)n3C)n2)cc1 ZINC000136682357 1417338746 /nfs/dbraw/zinc/33/87/46/1417338746.db2.gz AWQCDDDPUKIYGH-OAHLLOKOSA-N 0 0 394.456 3.427 20 30 GGEDRN C=C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000136703312 1417340580 /nfs/dbraw/zinc/34/05/80/1417340580.db2.gz AVBAUWCCGVJGAI-YJBOKZPZSA-N 0 0 376.412 3.465 20 30 GGEDRN N#Cc1ccccc1OCCN[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000136706549 1417340938 /nfs/dbraw/zinc/34/09/38/1417340938.db2.gz NNNDPRSYKSLELI-QGZVFWFLSA-N 0 0 387.365 3.453 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)NCCc2cc3ccccc3[nH]2)c1 ZINC000136725826 1417341385 /nfs/dbraw/zinc/34/13/85/1417341385.db2.gz NDYCSJLNNKRWON-UHFFFAOYSA-N 0 0 390.443 3.148 20 30 GGEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)CCS(C)(=O)=O)cc1 ZINC000136725912 1417342186 /nfs/dbraw/zinc/34/21/86/1417342186.db2.gz JFWKHJFRWVJWJG-OAHLLOKOSA-N 0 0 386.473 3.212 20 30 GGEDRN COCCOc1cc(C(=O)N(CCC#N)CC(F)(F)F)nc2ccccc21 ZINC000136798305 1417346985 /nfs/dbraw/zinc/34/69/85/1417346985.db2.gz SNEVOVIXTBXCHX-UHFFFAOYSA-N 0 0 381.354 3.178 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000136862086 1417351081 /nfs/dbraw/zinc/35/10/81/1417351081.db2.gz CIHRPJMCRYFWMJ-LBPRGKRZSA-N 0 0 386.477 3.412 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cc2cc(C)ccc2nc1C ZINC000136858283 1417351291 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20 30 GGEDRN C=CCn1c(SC[C@@H](O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccn1 ZINC000137075942 1417366638 /nfs/dbraw/zinc/36/66/38/1417366638.db2.gz CYTBHQVBVWFTON-MRXNPFEDSA-N 0 0 383.433 3.260 20 30 GGEDRN CCCCc1nnc(NC(=O)CN2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC000137099799 1417367861 /nfs/dbraw/zinc/36/78/61/1417367861.db2.gz VBWWQTHIIHMJEU-UHFFFAOYSA-N 0 0 399.520 3.234 20 30 GGEDRN COC[C@](C)(C#N)NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000137186497 1417373757 /nfs/dbraw/zinc/37/37/57/1417373757.db2.gz GCOVACFISAQNNY-NRFANRHFSA-N 0 0 376.416 3.371 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000137197564 1417374634 /nfs/dbraw/zinc/37/46/34/1417374634.db2.gz MMKHZQFZDNWTIP-KRWDZBQOSA-N 0 0 384.480 3.258 20 30 GGEDRN CCC(=O)N1CC[C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000137199679 1417374849 /nfs/dbraw/zinc/37/48/49/1417374849.db2.gz XQFOPIOJIAKCMF-QGZVFWFLSA-N 0 0 378.432 3.483 20 30 GGEDRN COC[C@@](C)(C#N)NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C ZINC000137244096 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3.324 20 30 GGEDRN COc1ccc(N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cc1Cl ZINC000137788102 1417395288 /nfs/dbraw/zinc/39/52/88/1417395288.db2.gz VDLPASXYRMTUBO-UHFFFAOYSA-N 0 0 381.823 3.265 20 30 GGEDRN N#CCC[C@@H](NC(=O)N1CCN(C(=O)Cc2ccccc2)CC1)c1ccccc1 ZINC000178824878 1429184532 /nfs/dbraw/zinc/18/45/32/1429184532.db2.gz NWFHRRIFROGZNN-OAQYLSRUSA-N 0 0 390.487 3.128 20 30 GGEDRN COc1ccc(-n2nnc(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)c2C)cc1 ZINC000178826140 1429184592 /nfs/dbraw/zinc/18/45/92/1429184592.db2.gz LHEUFUQHJAUVAS-UHFFFAOYSA-N 0 0 391.431 3.496 20 30 GGEDRN Cc1cc(NC(=O)C2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)no1 ZINC000178825783 1429184621 /nfs/dbraw/zinc/18/46/21/1429184621.db2.gz DLWRCTORZZNCOU-SFHVURJKSA-N 0 0 395.463 3.388 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)Cc2nnc(-c3ccccc3)n2C)cc1C#N ZINC000178825933 1429184635 /nfs/dbraw/zinc/18/46/35/1429184635.db2.gz YFEQLUPPGNQCLG-UHFFFAOYSA-N 0 0 375.432 3.322 20 30 GGEDRN Cc1noc(C)c1COC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000138376938 1417412431 /nfs/dbraw/zinc/41/24/31/1417412431.db2.gz LVBHAXAWYZRRIZ-UHFFFAOYSA-N 0 0 395.375 3.334 20 30 GGEDRN N#Cc1ccc(CSc2nnc(NC(=O)CCCCc3c[nH]nn3)s2)cc1 ZINC000138481867 1417419042 /nfs/dbraw/zinc/41/90/42/1417419042.db2.gz UKQBXIATVYBVHL-UHFFFAOYSA-N 0 0 399.505 3.172 20 30 GGEDRN C=CCCOCC(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000138501370 1417421477 /nfs/dbraw/zinc/42/14/77/1417421477.db2.gz ZGKCINGDCMUUAP-INIZCTEOSA-N 0 0 384.398 3.078 20 30 GGEDRN COc1ccc2c(c1)OC[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)C2 ZINC000138570356 1417426129 /nfs/dbraw/zinc/42/61/29/1417426129.db2.gz OLZSCITUGONKFA-HIFRSBDPSA-N 0 0 384.819 3.247 20 30 GGEDRN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cnn(-c2ccccc2F)c1 ZINC000138715422 1417435286 /nfs/dbraw/zinc/43/52/86/1417435286.db2.gz DDASIIPONRONFN-OAHLLOKOSA-N 0 0 392.390 3.371 20 30 GGEDRN Cc1c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cnn1CCC(C)C ZINC000138733646 1417436041 /nfs/dbraw/zinc/43/60/41/1417436041.db2.gz VFGGFQVWOVXWKW-UHFFFAOYSA-N 0 0 383.471 3.211 20 30 GGEDRN COc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCCOc1cccc(C(C)=O)c1 ZINC000138728277 1417436205 /nfs/dbraw/zinc/43/62/05/1417436205.db2.gz YUIPSOBHMHLFED-SFHVURJKSA-N 0 0 394.427 3.404 20 30 GGEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCOc2cccc(C(C)=O)c2)cc1 ZINC000138755166 1417437379 /nfs/dbraw/zinc/43/73/79/1417437379.db2.gz DURKRLMVBDCHDY-FQEVSTJZSA-N 0 0 394.427 3.404 20 30 GGEDRN CCc1nc(CN(C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cs1 ZINC000138944737 1417442808 /nfs/dbraw/zinc/44/28/08/1417442808.db2.gz NAHPHXGJNGRXCM-OAHLLOKOSA-N 0 0 377.473 3.375 20 30 GGEDRN CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc1 ZINC000138949573 1417443673 /nfs/dbraw/zinc/44/36/73/1417443673.db2.gz NMHWIDIVSPNNFQ-HNNXBMFYSA-N 0 0 380.404 3.390 20 30 GGEDRN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000139125993 1417449771 /nfs/dbraw/zinc/44/97/71/1417449771.db2.gz GAWZZNYIGNOQMC-OALUTQOASA-N 0 0 392.480 3.262 20 30 GGEDRN C=CCc1ccccc1OC[C@@H](O)Cn1cnc2sc3c(c2c1=O)CCC3 ZINC000139156778 1417450595 /nfs/dbraw/zinc/45/05/95/1417450595.db2.gz KQGNUVMESFVUFM-HNNXBMFYSA-N 0 0 382.485 3.115 20 30 GGEDRN C[C@@H]1c2ccsc2CCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000139189312 1417451197 /nfs/dbraw/zinc/45/11/97/1417451197.db2.gz KSQYWHIHIRYGDK-CQSZACIVSA-N 0 0 377.473 3.363 20 30 GGEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CNC(=O)c1ccncc1 ZINC000139510638 1417462437 /nfs/dbraw/zinc/46/24/37/1417462437.db2.gz VCRMVTUCJDTMDT-UHFFFAOYSA-N 0 0 386.411 3.423 20 30 GGEDRN C[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)N1CCN(c2ccccn2)CC1 ZINC000178831796 1429186377 /nfs/dbraw/zinc/18/63/77/1429186377.db2.gz TZQGRGABHXOCEM-CQSZACIVSA-N 0 0 386.908 3.436 20 30 GGEDRN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2cnn(CC#N)c2)cc1 ZINC000139618432 1417466723 /nfs/dbraw/zinc/46/67/23/1417466723.db2.gz YHZRPFKXSCUVGS-UHFFFAOYSA-N 0 0 385.431 3.069 20 30 GGEDRN CCCOc1ncccc1CNC(=O)NCCSCc1ccccc1C#N ZINC000140036182 1417486167 /nfs/dbraw/zinc/48/61/67/1417486167.db2.gz LWGYXYGRVHFFHO-UHFFFAOYSA-N 0 0 384.505 3.475 20 30 GGEDRN 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N#Cc1cccc(COc2ccc(NS(=O)(=O)C[C@@H]3CCCCO3)cc2)c1 ZINC000150857467 1417821718 /nfs/dbraw/zinc/82/17/18/1417821718.db2.gz OCKWWHVCHFUBFT-FQEVSTJZSA-N 0 0 386.473 3.448 20 30 GGEDRN Cn1cc(C(=O)Nc2ccc(OC(=O)c3c(F)cc(C#N)cc3F)cc2)cn1 ZINC000150870760 1417824579 /nfs/dbraw/zinc/82/45/79/1417824579.db2.gz IERZYMBMSWFPEI-UHFFFAOYSA-N 0 0 382.326 3.041 20 30 GGEDRN CC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N ZINC000150887060 1417828207 /nfs/dbraw/zinc/82/82/07/1417828207.db2.gz BGQGMFGZVKPXNE-GOEBONIOSA-N 0 0 378.432 3.379 20 30 GGEDRN CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N ZINC000150886952 1417828237 /nfs/dbraw/zinc/82/82/37/1417828237.db2.gz BGQGMFGZVKPXNE-ZBFHGGJFSA-N 0 0 378.432 3.379 20 30 GGEDRN Cc1ccc2nc(SCc3nnc(-c4ccc(C#N)cc4)o3)n(C)c(=O)c2c1 ZINC000150895522 1417829634 /nfs/dbraw/zinc/82/96/34/1417829634.db2.gz QGKYVNJHSOJQJB-UHFFFAOYSA-N 0 0 389.440 3.456 20 30 GGEDRN CC[C@H](CO)NC(=O)Cc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000150895834 1417829698 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CCOc1cc(C#N)ccc1OCc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000150922634 1417835767 /nfs/dbraw/zinc/83/57/67/1417835767.db2.gz BVSSGSVRVSWOQI-UHFFFAOYSA-N 0 0 386.429 3.471 20 30 GGEDRN C=CCSc1ccccc1NC(=O)CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000150921298 1417835971 /nfs/dbraw/zinc/83/59/71/1417835971.db2.gz ILXQDLMCDQLQKK-UHFFFAOYSA-N 0 0 397.426 3.029 20 30 GGEDRN O=c1ccc(C(F)(F)F)nn1CN(Cc1ccc(F)cc1)CC(F)(F)F ZINC000178895070 1429213749 /nfs/dbraw/zinc/21/37/49/1429213749.db2.gz PEQSAEZZMWKKLX-UHFFFAOYSA-N 0 0 383.267 3.423 20 30 GGEDRN CC[C@@H](c1ccc(F)cc1F)S(=O)(=O)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000150946220 1417841454 /nfs/dbraw/zinc/84/14/54/1417841454.db2.gz VDRXVRJDMFWRMF-KXBFYZLASA-N 0 0 395.427 3.142 20 30 GGEDRN CC[C@H](c1ccc(F)cc1F)S(=O)(=O)C[C@H](O)COc1ccc(C#N)cc1 ZINC000150946183 1417841532 /nfs/dbraw/zinc/84/15/32/1417841532.db2.gz VDRXVRJDMFWRMF-DNVCBOLYSA-N 0 0 395.427 3.142 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)c(F)c1 ZINC000150947695 1417841953 /nfs/dbraw/zinc/84/19/53/1417841953.db2.gz XMFHODLBWUPAIH-UHFFFAOYSA-N 0 0 387.461 3.342 20 30 GGEDRN Cn1cnnc1-c1cccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)c1 ZINC000150951951 1417842725 /nfs/dbraw/zinc/84/27/25/1417842725.db2.gz UTAMSVGAKPFWDH-UHFFFAOYSA-N 0 0 388.431 3.101 20 30 GGEDRN C=CCC(CC=C)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000150954173 1417843041 /nfs/dbraw/zinc/84/30/41/1417843041.db2.gz OPKUZBCPZANRLC-UHFFFAOYSA-N 0 0 396.578 3.350 20 30 GGEDRN Cc1ccc(C#N)cc1OS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000150982360 1417848639 /nfs/dbraw/zinc/84/86/39/1417848639.db2.gz RCBAMAJLZJOLMP-UHFFFAOYSA-N 0 0 397.206 3.305 20 30 GGEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)C(=O)NCc1ccco1 ZINC000150986961 1417849994 /nfs/dbraw/zinc/84/99/94/1417849994.db2.gz JHDRZWPEROZHAK-GFCCVEGCSA-N 0 0 396.365 3.298 20 30 GGEDRN N#Cc1cccnc1N1CCN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000150997739 1417852150 /nfs/dbraw/zinc/85/21/50/1417852150.db2.gz VEAVAKUVJXFKMO-CABCVRRESA-N 0 0 384.842 3.198 20 30 GGEDRN CCOC(=O)C1=C(C(=O)C(C)C)[C@H](c2ccc(F)c(Cl)c2)NC(=S)N1 ZINC000178900348 1429214888 /nfs/dbraw/zinc/21/48/88/1429214888.db2.gz WZBJNJGODIFMDE-ZDUSSCGKSA-N 0 0 384.860 3.040 20 30 GGEDRN COc1cc(C(=O)Nc2cc(C#N)ccc2C)ccc1OCc1cnn(C)c1 ZINC000151020700 1417856917 /nfs/dbraw/zinc/85/69/17/1417856917.db2.gz UDGYJPMERLRZHU-UHFFFAOYSA-N 0 0 376.416 3.440 20 30 GGEDRN CCOC(=O)C1=C(C(=O)C(C)C)[C@@H](c2ccc(F)c(Cl)c2)NC(=S)N1 ZINC000178900358 1429214962 /nfs/dbraw/zinc/21/49/62/1429214962.db2.gz WZBJNJGODIFMDE-CYBMUJFWSA-N 0 0 384.860 3.040 20 30 GGEDRN C#CCOc1cccc(NC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000151035020 1417859674 /nfs/dbraw/zinc/85/96/74/1417859674.db2.gz CRXNLFKPOFLQTH-PZJWPPBQSA-N 0 0 380.444 3.055 20 30 GGEDRN C#CCOc1cccc(NC(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000151034974 1417859811 /nfs/dbraw/zinc/85/98/11/1417859811.db2.gz CRXNLFKPOFLQTH-CTNGQTDRSA-N 0 0 380.444 3.055 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000178899730 1429215164 /nfs/dbraw/zinc/21/51/64/1429215164.db2.gz WAAYAPUAFYLOTA-AZUAARDMSA-N 0 0 395.434 3.059 20 30 GGEDRN CCCOc1ccc(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)c(OC(F)F)c1 ZINC000151043920 1417861200 /nfs/dbraw/zinc/86/12/00/1417861200.db2.gz BKABPJRLSRFVDW-GOSISDBHSA-N 0 0 389.402 3.265 20 30 GGEDRN Cc1nc(SCC(=O)Nc2nc(-c3cnn(C)c3)cs2)c(C#N)c(C)c1C ZINC000151049416 1417861921 /nfs/dbraw/zinc/86/19/21/1417861921.db2.gz KTAOCGPGAUNPEX-UHFFFAOYSA-N 0 0 398.517 3.466 20 30 GGEDRN CN(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000151050087 1417862337 /nfs/dbraw/zinc/86/23/37/1417862337.db2.gz QOEPGRIATHWPTJ-UHFFFAOYSA-N 0 0 388.342 3.417 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)c1ccc(NC(=O)C2CC2)cc1 ZINC000151051016 1417862521 /nfs/dbraw/zinc/86/25/21/1417862521.db2.gz VDRAEILAFNPBNX-GFCCVEGCSA-N 0 0 387.436 3.085 20 30 GGEDRN CC(C)Oc1ccc(CNC(=O)CCCC(=O)Nc2ccccc2C#N)cn1 ZINC000151057024 1417863622 /nfs/dbraw/zinc/86/36/22/1417863622.db2.gz QDZROOWQMFVCFZ-UHFFFAOYSA-N 0 0 380.448 3.166 20 30 GGEDRN N#Cc1cc(F)c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)c(F)c1 ZINC000151062125 1417864927 /nfs/dbraw/zinc/86/49/27/1417864927.db2.gz PUGSQLMWLACCRH-OAHLLOKOSA-N 0 0 391.374 3.129 20 30 GGEDRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000151064815 1417865624 /nfs/dbraw/zinc/86/56/24/1417865624.db2.gz LZNDIZWBFADFHO-INIZCTEOSA-N 0 0 387.411 3.299 20 30 GGEDRN COc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2F)cc1OC ZINC000151068736 1417866647 /nfs/dbraw/zinc/86/66/47/1417866647.db2.gz HDASRLITFWFLQU-GFCCVEGCSA-N 0 0 378.425 3.063 20 30 GGEDRN CC(C)C(=O)N1CCC(=NOCC(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000151075584 1417867743 /nfs/dbraw/zinc/86/77/43/1417867743.db2.gz ZKXUPKOUJZBUTD-UHFFFAOYSA-N 0 0 385.917 3.011 20 30 GGEDRN CC(C)C(=O)N1CCC(=NOCc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000151078567 1417868120 /nfs/dbraw/zinc/86/81/20/1417868120.db2.gz QIILHWJMASYPPO-UHFFFAOYSA-N 0 0 397.475 3.361 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCc2ccc(OCc3ccccn3)cc2)c(F)c1 ZINC000151084912 1417869549 /nfs/dbraw/zinc/86/95/49/1417869549.db2.gz YEFUWVSBZBYODC-UHFFFAOYSA-N 0 0 397.431 3.150 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1n[nH]c(-c2cc(F)cc(F)c2)n1 ZINC000151096634 1417871708 /nfs/dbraw/zinc/87/17/08/1417871708.db2.gz FBKHUMBMFDFIQM-BMLIUANNSA-N 0 0 379.436 3.285 20 30 GGEDRN C=C(Br)CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000151102147 1417872405 /nfs/dbraw/zinc/87/24/05/1417872405.db2.gz YATZPORUHPCDKM-HZPDHXFCSA-N 0 0 375.270 3.320 20 30 GGEDRN C[C@H](O)C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000151112585 1417874438 /nfs/dbraw/zinc/87/44/38/1417874438.db2.gz UVCKOOFRGIVLEL-FUHWJXTLSA-N 0 0 393.487 3.097 20 30 GGEDRN C[C@H](O)C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000151112477 1417874707 /nfs/dbraw/zinc/87/47/07/1417874707.db2.gz UVCKOOFRGIVLEL-WMZOPIPTSA-N 0 0 393.487 3.097 20 30 GGEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000151115810 1417875558 /nfs/dbraw/zinc/87/55/58/1417875558.db2.gz JTPJLYVZJDSIFK-UHFFFAOYSA-N 0 0 392.337 3.013 20 30 GGEDRN N#CCOc1cccc(CNC(=O)NC[C@H](O)c2cc3ccccc3s2)c1 ZINC000151119940 1417876219 /nfs/dbraw/zinc/87/62/19/1417876219.db2.gz VWLUCGUBCIXMML-KRWDZBQOSA-N 0 0 381.457 3.336 20 30 GGEDRN COc1cc(OC)c(NC(=O)N2CCN(c3ccccc3C#N)CC2)cc1F ZINC000151133012 1417878709 /nfs/dbraw/zinc/87/87/09/1417878709.db2.gz WRSGFBFYMLTABA-UHFFFAOYSA-N 0 0 384.411 3.069 20 30 GGEDRN CC(C)(C)OCc1cccc(CNS(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000151135322 1417878969 /nfs/dbraw/zinc/87/89/69/1417878969.db2.gz FABTXOPLXDEIRH-UHFFFAOYSA-N 0 0 376.453 3.491 20 30 GGEDRN N#CCOc1ccc(CNC(=O)Cc2cc(F)ccc2Br)cc1 ZINC000178915923 1429219534 /nfs/dbraw/zinc/21/95/34/1429219534.db2.gz YCFMBKBCEKGWJB-UHFFFAOYSA-N 0 0 377.213 3.349 20 30 GGEDRN Cc1ccc(C(=O)N2CCOCC2)cc1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000151165988 1417886132 /nfs/dbraw/zinc/88/61/32/1417886132.db2.gz FALRQDDHBQXLFI-QGZVFWFLSA-N 0 0 379.460 3.370 20 30 GGEDRN CCN(C(=O)CON=C1CCC2(CC1)OCCO2)[C@H](C)c1ccc(F)cc1 ZINC000151172702 1417887175 /nfs/dbraw/zinc/88/71/75/1417887175.db2.gz LUJDLGKDKGHYKC-OAHLLOKOSA-N 0 0 378.444 3.425 20 30 GGEDRN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2C#N)cc1[N+](=O)[O-] ZINC000151180701 1417889206 /nfs/dbraw/zinc/88/92/06/1417889206.db2.gz HIVRYNRUNMFLJE-UHFFFAOYSA-N 0 0 397.206 3.305 20 30 GGEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCN(c3cccs3)CC2)c1 ZINC000151193033 1417890969 /nfs/dbraw/zinc/89/09/69/1417890969.db2.gz GTIXATXNWPUQKB-QGZVFWFLSA-N 0 0 384.505 3.461 20 30 GGEDRN N#Cc1ccc([C@@H](Sc2n[nH]c(-c3ccc4c(c3)CCC4)n2)C(N)=O)cc1 ZINC000151196490 1417891811 /nfs/dbraw/zinc/89/18/11/1417891811.db2.gz YZPCRCNSWJBEGW-QGZVFWFLSA-N 0 0 375.457 3.151 20 30 GGEDRN C[C@H](NC(=O)COc1ccccc1C#N)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000151215713 1417895180 /nfs/dbraw/zinc/89/51/80/1417895180.db2.gz JUPMICPYSCZHPY-GAJHUEQPSA-N 0 0 394.471 3.379 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c(F)c1 ZINC000151217203 1417895538 /nfs/dbraw/zinc/89/55/38/1417895538.db2.gz URARBUZNFVXWLQ-OAHLLOKOSA-N 0 0 390.411 3.120 20 30 GGEDRN N#CCCn1ccc(NC(=O)N2CC(OCc3cccc4ccccc43)C2)n1 ZINC000151219034 1417895817 /nfs/dbraw/zinc/89/58/17/1417895817.db2.gz TZLZWTXCVZURPU-UHFFFAOYSA-N 0 0 375.432 3.383 20 30 GGEDRN CCCOCc1ccccc1CNC(=O)CON=C(N)c1ccc(C)c(F)c1 ZINC000151220095 1417896310 /nfs/dbraw/zinc/89/63/10/1417896310.db2.gz NLRWJYMGHLUVJP-UHFFFAOYSA-N 0 0 387.455 3.014 20 30 GGEDRN Cc1cccc(S(=O)(=O)N2CC[C@@H](OCCCc3ccccc3)C2)c1C#N ZINC000151244430 1417902058 /nfs/dbraw/zinc/90/20/58/1417902058.db2.gz CYKPTSUNKJXHMY-LJQANCHMSA-N 0 0 384.501 3.279 20 30 GGEDRN CC(C)(C)Oc1cccc(CCC(=O)[C@H](C#N)c2nnc3n2CCCCC3)n1 ZINC000151260916 1417906873 /nfs/dbraw/zinc/90/68/73/1417906873.db2.gz SQQOXPKJCLKFLJ-INIZCTEOSA-N 0 0 381.480 3.386 20 30 GGEDRN CC(C)(C)Oc1cccc(CCC(=O)[C@@H](C#N)c2nnc3n2CCCCC3)n1 ZINC000151260850 1417907102 /nfs/dbraw/zinc/90/71/02/1417907102.db2.gz SQQOXPKJCLKFLJ-MRXNPFEDSA-N 0 0 381.480 3.386 20 30 GGEDRN Cc1csc(CC(N)=NOCC(=O)N[C@@H](c2cccs2)C(C)(C)C)n1 ZINC000151263105 1417907573 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C=CCOc1ccc(C(=O)NCCOc2ncccc2C(F)(F)F)cc1OC ZINC000151357468 1417934789 /nfs/dbraw/zinc/93/47/89/1417934789.db2.gz SMANTKQZDHQETJ-UHFFFAOYSA-N 0 0 396.365 3.483 20 30 GGEDRN N#Cc1ccc(OCc2cccc(C(=O)OC[C@@H]3CC(=O)N(C4CC4)C3)c2)cc1 ZINC000151362783 1417936484 /nfs/dbraw/zinc/93/64/84/1417936484.db2.gz DMYWQRDKLNVHDS-GOSISDBHSA-N 0 0 390.439 3.305 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000151365837 1417937922 /nfs/dbraw/zinc/93/79/22/1417937922.db2.gz RPZQYBOKMVVZJM-UYAOXDASSA-N 0 0 398.434 3.194 20 30 GGEDRN C#CCCCCNC(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000151388077 1417945448 /nfs/dbraw/zinc/94/54/48/1417945448.db2.gz UIVDTQNCMGRTGW-FQEVSTJZSA-N 0 0 384.501 3.282 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000151425937 1417962994 /nfs/dbraw/zinc/96/29/94/1417962994.db2.gz KMSZCIBQDSEISY-UHFFFAOYSA-N 0 0 375.350 3.419 20 30 GGEDRN CC(C)N(Cc1ccc(C#N)cc1)Cn1cc(I)cn1 ZINC000151428296 1417964178 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CSCc1noc(CCC(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)n1 ZINC000151468832 1417985670 /nfs/dbraw/zinc/98/56/70/1417985670.db2.gz LAKPQXZGCMABRU-UHFFFAOYSA-N 0 0 396.476 3.178 20 30 GGEDRN O=C(NCc1ccco1)[C@H]1CCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000151477871 1417992311 /nfs/dbraw/zinc/99/23/11/1417992311.db2.gz ZNRDJEAOXIQDDP-GOSISDBHSA-N 0 0 392.377 3.311 20 30 GGEDRN CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2cccc3nccn32)C1=O ZINC000178944183 1429226155 /nfs/dbraw/zinc/22/61/55/1429226155.db2.gz YNNPDQKTYDAFAN-SSZFMOIBSA-N 0 0 375.384 3.161 20 30 GGEDRN CCn1c2ccccc2n(CN2CCN(c3nccnc3C#N)C[C@@H]2C)c1=S ZINC000151490807 1418001215 /nfs/dbraw/zinc/00/12/15/1418001215.db2.gz CEPTUJPOYOYSMK-HNNXBMFYSA-N 0 0 393.520 3.022 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2cccc3nccn32)cc1 ZINC000178943134 1429226600 /nfs/dbraw/zinc/22/66/00/1429226600.db2.gz UWFRKYFHJZPEQQ-JLHYYAGUSA-N 0 0 383.473 3.261 20 30 GGEDRN CC[C@H](NC(=O)c1c(F)cc(C#N)cc1F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000151508595 1418007654 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C=CCn1nnn(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1=S ZINC000151566241 1418026947 /nfs/dbraw/zinc/02/69/47/1418026947.db2.gz XTMJFSFFURGJEH-JTQLQIEISA-N 0 0 390.460 3.307 20 30 GGEDRN O=C(NCCCOC[C@@H]1CCOC1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000151578613 1418030832 /nfs/dbraw/zinc/03/08/32/1418030832.db2.gz LDYLREDJALFAJW-IBGZPJMESA-N 0 0 379.460 3.046 20 30 GGEDRN COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N(CCC#N)CC2CC2)c1 ZINC000151581077 1418031211 /nfs/dbraw/zinc/03/12/11/1418031211.db2.gz CUNDSIRCOMIDNW-UHFFFAOYSA-N 0 0 381.436 3.125 20 30 GGEDRN C[C@@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)N1CCSCC1 ZINC000151585974 1418033305 /nfs/dbraw/zinc/03/33/05/1418033305.db2.gz PQXLJIZQIVUGCK-HNNXBMFYSA-N 0 0 394.500 3.186 20 30 GGEDRN Cc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cc1N1CCCS1(=O)=O ZINC000151591029 1418033749 /nfs/dbraw/zinc/03/37/49/1418033749.db2.gz UTTXZXZQUUJSHJ-MRXNPFEDSA-N 0 0 385.489 3.438 20 30 GGEDRN C#CCOc1cccc(NC(=O)CCC(=O)Nc2nnc(CC(C)C)s2)c1 ZINC000151600123 1418036559 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CCCN(C[C@H]1COc2ccccc2O1)C(=O)Cc1cccc(OCC#N)c1 ZINC000179345649 1429336856 /nfs/dbraw/zinc/33/68/56/1429336856.db2.gz MMWQUDNAECBZSW-IBGZPJMESA-N 0 0 380.444 3.210 20 30 GGEDRN N#Cc1ccc(CSCC(=O)N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179359266 1429343035 /nfs/dbraw/zinc/34/30/35/1429343035.db2.gz QGQNELAFBHCNEW-KRWDZBQOSA-N 0 0 381.505 3.193 20 30 GGEDRN N#CCOc1cccc(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 ZINC000179367411 1429346565 /nfs/dbraw/zinc/34/65/65/1429346565.db2.gz SCLMRMRCPIEWKC-UHFFFAOYSA-N 0 0 389.411 3.293 20 30 GGEDRN N#CCOc1cccc(CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)c1 ZINC000179366524 1429346575 /nfs/dbraw/zinc/34/65/75/1429346575.db2.gz PDYAKHKTLXENES-UHFFFAOYSA-N 0 0 392.455 3.488 20 30 GGEDRN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)[C@H]2CCCC(C)(C)C2)cc1OC ZINC000179382701 1429351795 /nfs/dbraw/zinc/35/17/95/1429351795.db2.gz ONUULSBKROAEKN-IRXDYDNUSA-N 0 0 386.492 3.288 20 30 GGEDRN C#CCCCNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1 ZINC000179386637 1429353346 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C=C(C)CN(CC)C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000179418951 1429367193 /nfs/dbraw/zinc/36/71/93/1429367193.db2.gz QZUIFMBFKCUZPV-UHFFFAOYSA-N 0 0 377.466 3.188 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC2C[C@@H](C)C[C@H](C)C2)c1C ZINC000179422630 1429369209 /nfs/dbraw/zinc/36/92/09/1429369209.db2.gz ADANKNPAJZJIHV-KBPBESRZSA-N 0 0 393.491 3.240 20 30 GGEDRN C=CCc1cc(CN2CCN(C(=O)c3cccc(OC)c3)CC2)cc(OC)c1O ZINC000179423786 1429370263 /nfs/dbraw/zinc/37/02/63/1429370263.db2.gz DWCUNFVXOWTXNX-UHFFFAOYSA-N 0 0 396.487 3.096 20 30 GGEDRN Cc1nc(NC(=O)c2cn(-c3ccc(F)cc3C)nn2)sc1SCC#N ZINC000179425598 1429370556 /nfs/dbraw/zinc/37/05/56/1429370556.db2.gz SNUSFMBXSJBQTC-UHFFFAOYSA-N 0 0 388.453 3.348 20 30 GGEDRN COc1ccccc1[C@H](NS(=O)(=O)c1ccc(C#N)cc1C)c1ccccn1 ZINC000179426542 1429370698 /nfs/dbraw/zinc/37/06/98/1429370698.db2.gz KUXUTYBQXSCPJH-NRFANRHFSA-N 0 0 393.468 3.338 20 30 GGEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1)c1ccccc1 ZINC000179434337 1429374582 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GGEDRN C=CCc1cc(CNC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)cc(OC)c1OC ZINC000152952581 1422306073 /nfs/dbraw/zinc/30/60/73/1422306073.db2.gz ZSHBFJRMQPWALP-QFBILLFUSA-N 0 0 398.507 3.422 20 30 GGEDRN C=CCc1cc(CNC(=O)N2CC[C@@H](OCC(C)C)C2)cc(OC)c1OC ZINC000152952680 1422306339 /nfs/dbraw/zinc/30/63/39/1422306339.db2.gz VXRMWGQFUDXDTF-GOSISDBHSA-N 0 0 376.497 3.389 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000152957492 1422307782 /nfs/dbraw/zinc/30/77/82/1422307782.db2.gz RLOJXDXIHQFCPA-UHFFFAOYSA-N 0 0 376.428 3.423 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)Cn1c(-c2cccs2)n[nH]c1=S ZINC000152961359 1422308692 /nfs/dbraw/zinc/30/86/92/1422308692.db2.gz QKHRDUSOLPUEMO-UHFFFAOYSA-N 0 0 388.449 3.459 20 30 GGEDRN COc1ccc(C#N)cc1CN1C(=O)N[C@]2(CCc3cc(Cl)ccc32)C1=O ZINC000152968924 1422310993 /nfs/dbraw/zinc/31/09/93/1422310993.db2.gz BLYFOPDJCDAXRO-FQEVSTJZSA-N 0 0 381.819 3.114 20 30 GGEDRN CCOCCO[C@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000152982619 1422316282 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392.525 3.116 20 30 GGEDRN CSCC[C@@H](C)N(C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000153026000 1422331041 /nfs/dbraw/zinc/33/10/41/1422331041.db2.gz DJENEDDTAXOLNK-GDBMZVCRSA-N 0 0 378.517 3.449 20 30 GGEDRN C#CC[C@@H](OC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)c1ccccn1 ZINC000153030111 1422332767 /nfs/dbraw/zinc/33/27/67/1422332767.db2.gz FPNKCBJLTKUZDK-MRXNPFEDSA-N 0 0 389.333 3.208 20 30 GGEDRN C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)CN1CCOCC1 ZINC000153037724 1422335587 /nfs/dbraw/zinc/33/55/87/1422335587.db2.gz GUCCFIOSXKTZFT-KRWDZBQOSA-N 0 0 394.475 3.440 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)c(F)c1 ZINC000153040225 1422336194 /nfs/dbraw/zinc/33/61/94/1422336194.db2.gz CTTPIHNUQRSZEJ-AWEZNQCLSA-N 0 0 398.818 3.332 20 30 GGEDRN CN(C(=O)C(C)(C)C)c1ccc(OC[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000153060111 1422343073 /nfs/dbraw/zinc/34/30/73/1422343073.db2.gz QYNFVGNCNMYMND-SFHVURJKSA-N 0 0 382.460 3.386 20 30 GGEDRN C=CCNC(=O)c1ccccc1NCC(=O)NCc1cccc(OC(C)C)c1 ZINC000153075591 1422348223 /nfs/dbraw/zinc/34/82/23/1422348223.db2.gz NDYMPRRBPAXLBI-UHFFFAOYSA-N 0 0 381.476 3.118 20 30 GGEDRN N#CCCN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)Cc1ccco1 ZINC000153078844 1422348844 /nfs/dbraw/zinc/34/88/44/1422348844.db2.gz BAJCBDLUJRDNMS-LJQANCHMSA-N 0 0 395.459 3.130 20 30 GGEDRN C#CCOc1ccc(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1 ZINC000153081596 1422350531 /nfs/dbraw/zinc/35/05/31/1422350531.db2.gz XYCAWSPNVOPBND-UHFFFAOYSA-N 0 0 385.423 3.276 20 30 GGEDRN C=CCn1c(C2CC2)nnc1S(=O)(=O)Cc1nc(-c2ccccc2)oc1C ZINC000153084975 1422350803 /nfs/dbraw/zinc/35/08/03/1422350803.db2.gz YDHPCVCVBBNRSM-UHFFFAOYSA-N 0 0 384.461 3.279 20 30 GGEDRN CN1CCc2ccc(C(=O)N3CCN(c4c(C#N)cnc5ccccc54)CC3)cc21 ZINC000153102402 1422357276 /nfs/dbraw/zinc/35/72/76/1422357276.db2.gz SRJSHXRBBVPUFA-UHFFFAOYSA-N 0 0 397.482 3.061 20 30 GGEDRN C=CC[C@H](C)NC(=O)C(=O)Nc1cc(C)nn1-c1cccc(C(F)(F)F)c1 ZINC000153110080 1422359751 /nfs/dbraw/zinc/35/97/51/1422359751.db2.gz SXIFGHDROKWCFL-NSHDSACASA-N 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1422365517 /nfs/dbraw/zinc/36/55/17/1422365517.db2.gz VXEWGZGFTCUTIW-UHFFFAOYSA-N 0 0 391.862 3.394 20 30 GGEDRN CC(C)c1ccc(C[C@@H](C)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000153129348 1422366510 /nfs/dbraw/zinc/36/65/10/1422366510.db2.gz IIIFGNNSWOPYLO-QGZVFWFLSA-N 0 0 398.528 3.344 20 30 GGEDRN CC(C)c1ccc(C[C@H](C)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000153129454 1422366574 /nfs/dbraw/zinc/36/65/74/1422366574.db2.gz IIIFGNNSWOPYLO-KRWDZBQOSA-N 0 0 398.528 3.344 20 30 GGEDRN N#Cc1cccc(NCC(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000153133321 1422368313 /nfs/dbraw/zinc/36/83/13/1422368313.db2.gz CAYNWGMOTDEGTA-JOCHJYFZSA-N 0 0 384.439 3.466 20 30 GGEDRN C=C(C)CN(CC)C(=O)C[S@](=O)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000179775365 1429555277 /nfs/dbraw/zinc/55/52/77/1429555277.db2.gz HQQFTUXXPLIKFL-HHHXNRCGSA-N 0 0 385.533 3.034 20 30 GGEDRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)o1 ZINC000153161282 1422377710 /nfs/dbraw/zinc/37/77/10/1422377710.db2.gz ADMUNZZUSWYHQZ-HNNXBMFYSA-N 0 0 389.477 3.131 20 30 GGEDRN Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C(=O)N1CCC(C#N)CC1 ZINC000153174696 1422381740 /nfs/dbraw/zinc/38/17/40/1422381740.db2.gz OYQBDHRFUOINPV-UHFFFAOYSA-N 0 0 393.491 3.179 20 30 GGEDRN CC(C)(C)c1cc(NC(=O)C(=O)N2CCC(C#N)CC2)n(-c2ccc(F)cc2)n1 ZINC000153178090 1422382716 /nfs/dbraw/zinc/38/27/16/1422382716.db2.gz OEMIRGSLAPZQRP-UHFFFAOYSA-N 0 0 397.454 3.010 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccc(=O)n(-c2ccccc2F)n1)c1ccccc1Cl ZINC000179776829 1429555910 /nfs/dbraw/zinc/55/59/10/1429555910.db2.gz QWGDJDKMSOBPTL-MRXNPFEDSA-N 0 0 382.782 3.020 20 30 GGEDRN N#CCC[C@@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000153210949 1422394475 /nfs/dbraw/zinc/39/44/75/1422394475.db2.gz TTYPMIUHMBQMNI-QGZVFWFLSA-N 0 0 380.839 3.155 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000179770629 1429551611 /nfs/dbraw/zinc/55/16/11/1429551611.db2.gz YWGCCIMEOYUMGA-CZUORRHYSA-N 0 0 377.872 3.406 20 30 GGEDRN N#C[C@@H](NC(=O)C[C@@H](O)c1cccc(F)c1)c1cccc(Br)c1 ZINC000179770317 1429551758 /nfs/dbraw/zinc/55/17/58/1429551758.db2.gz IIBUXIHHMOKQFO-HZPDHXFCSA-N 0 0 377.213 3.393 20 30 GGEDRN CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N(CC)CCC#N)c1 ZINC000153226116 1422401684 /nfs/dbraw/zinc/40/16/84/1422401684.db2.gz ZLPOQPABFBGMSV-OAHLLOKOSA-N 0 0 380.514 3.062 20 30 GGEDRN CCC[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000179771623 1429552620 /nfs/dbraw/zinc/55/26/20/1429552620.db2.gz DOPBRMUQLFFWJE-GOSISDBHSA-N 0 0 395.507 3.366 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(F)cc1 ZINC000153251868 1422418566 /nfs/dbraw/zinc/41/85/66/1422418566.db2.gz VWKMQIMGXNVRDO-ZDUSSCGKSA-N 0 0 393.411 3.025 20 30 GGEDRN N#Cc1cc(F)c(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(F)c1 ZINC000153252397 1422420915 /nfs/dbraw/zinc/42/09/15/1422420915.db2.gz RJAGZDNSLQBEID-CQSZACIVSA-N 0 0 385.418 3.174 20 30 GGEDRN Cc1cc(C)cc(N(CCC#N)C(=O)Cn2nnc(Cc3ccccc3C)n2)c1 ZINC000153263837 1422427398 /nfs/dbraw/zinc/42/73/98/1422427398.db2.gz HASMHIWINKUHRJ-UHFFFAOYSA-N 0 0 388.475 3.136 20 30 GGEDRN Cc1ccccc1Cc1nnn(CC(=O)N(CCC#N)c2cccc(Cl)c2)n1 ZINC000153269908 1422431500 /nfs/dbraw/zinc/43/15/00/1422431500.db2.gz DNPCBTBRTSGQLB-UHFFFAOYSA-N 0 0 394.866 3.173 20 30 GGEDRN COc1ccc(C[C@H](C)CN(C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000153281952 1422437721 /nfs/dbraw/zinc/43/77/21/1422437721.db2.gz SRIZNWKVWDJTQA-KRWDZBQOSA-N 0 0 386.517 3.151 20 30 GGEDRN Cc1cc(F)cc(NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000153298387 1422450776 /nfs/dbraw/zinc/45/07/76/1422450776.db2.gz NIHAPHOYUHLHFM-UHFFFAOYSA-N 0 0 381.407 3.014 20 30 GGEDRN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 ZINC000179785002 1429562250 /nfs/dbraw/zinc/56/22/50/1429562250.db2.gz QGVTXKKATUKERN-CXAGYDPISA-N 0 0 397.454 3.197 20 30 GGEDRN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 ZINC000179785047 1429562281 /nfs/dbraw/zinc/56/22/81/1429562281.db2.gz QGVTXKKATUKERN-GUYCJALGSA-N 0 0 397.454 3.197 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)CSc1nc2ccccc2nc1N1CCCC1 ZINC000153324995 1422469741 /nfs/dbraw/zinc/46/97/41/1422469741.db2.gz DJLCQFUBIPLXOE-OAHLLOKOSA-N 0 0 383.521 3.330 20 30 GGEDRN N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3C[C@@H]3c3c(F)cccc3Cl)cc2)c1N ZINC000153327528 1422471499 /nfs/dbraw/zinc/47/14/99/1422471499.db2.gz PMBMVIZHDXOFTL-WMLDXEAASA-N 0 0 395.825 3.405 20 30 GGEDRN N#CCC[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000153345164 1422481766 /nfs/dbraw/zinc/48/17/66/1422481766.db2.gz XTHHVVGRCGEMCD-KRWDZBQOSA-N 0 0 376.372 3.211 20 30 GGEDRN CN1CCO[C@@H]([C@H](NC(=O)c2ccccc2OCC#N)c2ccc(Cl)cc2)C1 ZINC000153350766 1422485127 /nfs/dbraw/zinc/48/51/27/1422485127.db2.gz FZSHRZPEVLTRMJ-WOJBJXKFSA-N 0 0 399.878 3.044 20 30 GGEDRN CCOC(=O)NCCCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000153354198 1422487070 /nfs/dbraw/zinc/48/70/70/1422487070.db2.gz HOEGIBMPTKNSFR-HNNXBMFYSA-N 0 0 382.445 3.384 20 30 GGEDRN CCC[C@H](C(=O)[C@H](C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(C)C ZINC000153358282 1422489644 /nfs/dbraw/zinc/48/96/44/1422489644.db2.gz QHAXUVNOSOTCCI-ROUUACIJSA-N 0 0 396.491 3.204 20 30 GGEDRN N#CCC[C@@H](NC(=O)Cn1cnc2c3ccccc3oc2c1=O)c1ccccc1 ZINC000153361200 1422493548 /nfs/dbraw/zinc/49/35/48/1422493548.db2.gz SJVPIDCLAVDXPA-QGZVFWFLSA-N 0 0 386.411 3.304 20 30 GGEDRN N#Cc1ccc(OCC(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000153365311 1422497985 /nfs/dbraw/zinc/49/79/85/1422497985.db2.gz ROCXJRDSGRJKAI-GOSISDBHSA-N 0 0 388.370 3.139 20 30 GGEDRN Cc1ccc([C@H](C)NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1[N+](=O)[O-] ZINC000153372268 1422502694 /nfs/dbraw/zinc/50/26/94/1422502694.db2.gz HIDUTDSGNPNCSR-AWEZNQCLSA-N 0 0 380.404 3.309 20 30 GGEDRN CS(=O)(=O)N1CCCc2cc(C(=O)N[C@H](CCC#N)c3ccccc3)ccc21 ZINC000153379889 1422506135 /nfs/dbraw/zinc/50/61/35/1422506135.db2.gz ZIBQLDNQAUFWRL-LJQANCHMSA-N 0 0 397.500 3.174 20 30 GGEDRN COc1cc(CNC(=O)CNc2cccc(C#N)c2)ccc1OCC(F)(F)F ZINC000153380808 1422506899 /nfs/dbraw/zinc/50/68/99/1422506899.db2.gz IATFEPPWJBAMSY-UHFFFAOYSA-N 0 0 393.365 3.236 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000179786522 1429563450 /nfs/dbraw/zinc/56/34/50/1429563450.db2.gz FYFBYSXKMHKZRR-MJGOQNOKSA-N 0 0 378.538 3.089 20 30 GGEDRN C#CCNC(=O)c1ccccc1NCC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000153397035 1422513606 /nfs/dbraw/zinc/51/36/06/1422513606.db2.gz KIGKIBJXYVZJON-LJQANCHMSA-N 0 0 383.517 3.427 20 30 GGEDRN C#CCNC(=O)c1ccccc1NCC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000153397161 1422514201 /nfs/dbraw/zinc/51/42/01/1422514201.db2.gz KIGKIBJXYVZJON-IBGZPJMESA-N 0 0 383.517 3.427 20 30 GGEDRN CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1c(F)cc(C#N)cc1F ZINC000153404293 1422516726 /nfs/dbraw/zinc/51/67/26/1422516726.db2.gz AUMIPOZTVNKDCN-UHFFFAOYSA-N 0 0 387.386 3.336 20 30 GGEDRN COc1ccc(CN2C[C@@H](C(=O)N[C@@H](CCC#N)c3ccccc3)CC2=O)cc1 ZINC000153414033 1422522249 /nfs/dbraw/zinc/52/22/49/1422522249.db2.gz WINKFNPDHUTZTM-FPOVZHCZSA-N 0 0 391.471 3.205 20 30 GGEDRN C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1c(F)cccc1F ZINC000153415235 1422523114 /nfs/dbraw/zinc/52/31/14/1422523114.db2.gz VNBPPKYOBPZWEZ-DOMZBBRYSA-N 0 0 399.397 3.118 20 30 GGEDRN CCOCCO[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000153416573 1422523401 /nfs/dbraw/zinc/52/34/01/1422523401.db2.gz QEPGUBLQWMWNCE-QFIPXVFZSA-N 0 0 394.471 3.405 20 30 GGEDRN C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1c(F)cccc1F ZINC000153415130 1422523552 /nfs/dbraw/zinc/52/35/52/1422523552.db2.gz VNBPPKYOBPZWEZ-WFASDCNBSA-N 0 0 399.397 3.118 20 30 GGEDRN N#CCC[C@H](NC(=O)CC[S@](=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000153425078 1422528803 /nfs/dbraw/zinc/52/88/03/1422528803.db2.gz RCBSOGDWUIMRJR-XDBZFTIUSA-N 0 0 398.484 3.117 20 30 GGEDRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000153436938 1422535054 /nfs/dbraw/zinc/53/50/54/1422535054.db2.gz AEIUIJMVEFHDGC-KXBFYZLASA-N 0 0 388.464 3.397 20 30 GGEDRN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)[C@@H](C)c2c(F)cccc2F)cc1 ZINC000153438420 1422536903 /nfs/dbraw/zinc/53/69/03/1422536903.db2.gz ULXHPHPCYDNHDB-BBRMVZONSA-N 0 0 386.398 3.145 20 30 GGEDRN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)[C@H](C)c2c(F)cccc2F)cc1 ZINC000153438524 1422537231 /nfs/dbraw/zinc/53/72/31/1422537231.db2.gz ULXHPHPCYDNHDB-CJNGLKHVSA-N 0 0 386.398 3.145 20 30 GGEDRN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000153440522 1422538414 /nfs/dbraw/zinc/53/84/14/1422538414.db2.gz XUSISTCUUPUFPO-INIZCTEOSA-N 0 0 381.432 3.016 20 30 GGEDRN Cc1cc(F)cc(NC(=O)C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000153461415 1422549986 /nfs/dbraw/zinc/54/99/86/1422549986.db2.gz JPDUAYYZASSWIR-UHFFFAOYSA-N 0 0 378.325 3.259 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000179791482 1429566873 /nfs/dbraw/zinc/56/68/73/1429566873.db2.gz CADJPAWDYQNXOX-OAHLLOKOSA-N 0 0 376.478 3.233 20 30 GGEDRN C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000153471917 1422556694 /nfs/dbraw/zinc/55/66/94/1422556694.db2.gz UQCZTPACXGYKJU-ZDUSSCGKSA-N 0 0 398.850 3.143 20 30 GGEDRN COCc1noc(CNc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)n1 ZINC000179791918 1429567287 /nfs/dbraw/zinc/56/72/87/1429567287.db2.gz KUZISPAJWABNFR-UHFFFAOYSA-N 0 0 377.400 3.015 20 30 GGEDRN N#CCC[C@H](NC(=O)CCNC(=O)N1CCc2ccccc2C1)c1ccccc1 ZINC000153507244 1422575559 /nfs/dbraw/zinc/57/55/59/1422575559.db2.gz FPFZZEJYLOQUAA-NRFANRHFSA-N 0 0 390.487 3.306 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)n1 ZINC000179794562 1429569027 /nfs/dbraw/zinc/56/90/27/1429569027.db2.gz JMCPVXCNKWHYGI-SUMWQHHRSA-N 0 0 383.427 3.023 20 30 GGEDRN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000153518686 1422580958 /nfs/dbraw/zinc/58/09/58/1422580958.db2.gz QGEPKMORJOLHNT-FQEVSTJZSA-N 0 0 399.516 3.492 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)Nc2ccc(N(C)C)cn2)nnc1-c1ccco1 ZINC000153519002 1422582136 /nfs/dbraw/zinc/58/21/36/1422582136.db2.gz YPHHHOQUDVTMQE-UHFFFAOYSA-N 0 0 398.492 3.306 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000179794257 1429569422 /nfs/dbraw/zinc/56/94/22/1429569422.db2.gz DPLUAHHEGDGHOW-OAHLLOKOSA-N 0 0 391.516 3.325 20 30 GGEDRN COC(=O)[C@H](NC(=O)c1ccccc1OCC#N)c1ccc(Cl)c(F)c1 ZINC000153526504 1422585916 /nfs/dbraw/zinc/58/59/16/1422585916.db2.gz UOHZVIOZSFHASN-MRXNPFEDSA-N 0 0 376.771 3.026 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1 ZINC000179795754 1429570200 /nfs/dbraw/zinc/57/02/00/1429570200.db2.gz FEGYZYHUJWZCAW-OAHLLOKOSA-N 0 0 394.537 3.391 20 30 GGEDRN COc1ccc(N2C[C@@H](C(=O)N[C@@H](CCC#N)c3ccccc3)CC2=O)cc1 ZINC000153541263 1422597041 /nfs/dbraw/zinc/59/70/41/1422597041.db2.gz XWWYRPIPHUBIOU-PXNSSMCTSA-N 0 0 377.444 3.209 20 30 GGEDRN Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)c3cccc(C#N)c3)c12 ZINC000153544735 1422601317 /nfs/dbraw/zinc/60/13/17/1422601317.db2.gz DZQDKIJLTZQVOA-KRWDZBQOSA-N 0 0 375.432 3.351 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1 ZINC000179795736 1429570696 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GGEDRN C=C(C)CN(CC)C(=O)C(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000154613494 1422962299 /nfs/dbraw/zinc/96/22/99/1422962299.db2.gz SALZHGRTKPJGCI-UHFFFAOYSA-N 0 0 394.397 3.313 20 30 GGEDRN CC1CCN(S(=O)(=O)c2ccc(C(=O)O[C@H](C#N)C(C)(C)C)s2)CC1 ZINC000154618912 1422964960 /nfs/dbraw/zinc/96/49/60/1422964960.db2.gz DXBZMPKBODGYTA-CQSZACIVSA-N 0 0 384.523 3.264 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000154617614 1422965592 /nfs/dbraw/zinc/96/55/92/1422965592.db2.gz IRAMMEYGRSBXJZ-KRWDZBQOSA-N 0 0 384.455 3.206 20 30 GGEDRN C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(C)c(NC(=O)c2ccncc2)c1 ZINC000154620902 1422966306 /nfs/dbraw/zinc/96/63/06/1422966306.db2.gz JUEHVKWURFCYPX-UHFFFAOYSA-N 0 0 380.448 3.005 20 30 GGEDRN C=C(C)CN(CC)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000154630589 1422971915 /nfs/dbraw/zinc/97/19/15/1422971915.db2.gz CIJDVMVUWLDMKC-UHFFFAOYSA-N 0 0 388.386 3.094 20 30 GGEDRN C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000154633812 1422973504 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GGEDRN C=C(C)CN(CC)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000154666072 1422993159 /nfs/dbraw/zinc/99/31/59/1422993159.db2.gz WTRAGABJBQHYKO-UHFFFAOYSA-N 0 0 380.370 3.254 20 30 GGEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000154669227 1422994154 /nfs/dbraw/zinc/99/41/54/1422994154.db2.gz NJXAFNXWMYZCLT-UHFFFAOYSA-N 0 0 394.397 3.414 20 30 GGEDRN C=CCCOCCNC(=O)C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 ZINC000154687977 1423001423 /nfs/dbraw/zinc/00/14/23/1423001423.db2.gz XDYALFHQUULQBP-UHFFFAOYSA-N 0 0 391.487 3.242 20 30 GGEDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000154688022 1423001880 /nfs/dbraw/zinc/00/18/80/1423001880.db2.gz FYGDTOKDDPFQNH-MRXNPFEDSA-N 0 0 394.523 3.411 20 30 GGEDRN C=CCn1c(S[C@H](C)C(=O)NC(=O)NC(C)C)nnc1-c1ccc(C)cc1 ZINC000154695379 1423003445 /nfs/dbraw/zinc/00/34/45/1423003445.db2.gz CERGQMOCXBOISY-CQSZACIVSA-N 0 0 387.509 3.154 20 30 GGEDRN Cc1ccc(NC(=O)CN(C)C(=O)CCCC(=O)Nc2ccccc2C#N)cc1 ZINC000154697285 1423003879 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CC(C)[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(F)cc1F ZINC000155484571 1423383177 /nfs/dbraw/zinc/38/31/77/1423383177.db2.gz GBABHBQZHZNZBW-LJQANCHMSA-N 0 0 399.445 3.460 20 30 GGEDRN COc1ccc(CNC(=O)[C@@H](C#N)C(=O)Cc2ccccc2OC(C)C)cc1 ZINC000155488604 1423384052 /nfs/dbraw/zinc/38/40/52/1423384052.db2.gz XLNKMYPGQGYCJB-IBGZPJMESA-N 0 0 380.444 3.050 20 30 GGEDRN N#C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nccn1CC(F)(F)F ZINC000155502092 1423389136 /nfs/dbraw/zinc/38/91/36/1423389136.db2.gz YTMSQQLVCPSTDR-VIFPVBQESA-N 0 0 387.705 3.253 20 30 GGEDRN N#C[C@@H](C(=O)Nc1nnc(-c2ccccc2)s1)c1nccn1CC(F)(F)F ZINC000155503867 1423390666 /nfs/dbraw/zinc/39/06/66/1423390666.db2.gz QXZJOCVJOVMDFX-LLVKDONJSA-N 0 0 392.366 3.210 20 30 GGEDRN N#C[C@H](C(=O)Nc1nnc(-c2ccccc2)s1)c1nccn1CC(F)(F)F ZINC000155503765 1423390731 /nfs/dbraw/zinc/39/07/31/1423390731.db2.gz QXZJOCVJOVMDFX-NSHDSACASA-N 0 0 392.366 3.210 20 30 GGEDRN Cn1cc(CN2CCN(c3ccccc3C#N)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179914419 1429637700 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20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCC(C)(C)c3ccccc32)n1 ZINC000179924162 1429644056 /nfs/dbraw/zinc/64/40/56/1429644056.db2.gz BOIIMULJWWPGLG-OAHLLOKOSA-N 0 0 393.491 3.246 20 30 GGEDRN Cc1cccc(C2=CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC2)c1 ZINC000179924560 1429644068 /nfs/dbraw/zinc/64/40/68/1429644068.db2.gz FDLCRAMMDZJPDB-UHFFFAOYSA-N 0 0 391.475 3.073 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)OC[C@@H]1CSc2ccccc2O1 ZINC000155635901 1423460474 /nfs/dbraw/zinc/46/04/74/1423460474.db2.gz IOIIOSSRDUJVMX-MRXNPFEDSA-N 0 0 385.489 3.443 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000155636805 1423460505 /nfs/dbraw/zinc/46/05/05/1423460505.db2.gz BOLXFJNJDFJLNX-CQSZACIVSA-N 0 0 394.866 3.367 20 30 GGEDRN CCc1ccc(C2=CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2)cc1 ZINC000179925461 1429644744 /nfs/dbraw/zinc/64/47/44/1429644744.db2.gz WSLCIJLHPUAPEX-UHFFFAOYSA-N 0 0 391.475 3.152 20 30 GGEDRN C=CCc1cc(CNC(=O)c2cnc(C(F)(F)F)nc2)cc(OC)c1OC ZINC000155647341 1423467000 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1424340121 /nfs/dbraw/zinc/34/01/21/1424340121.db2.gz NRWDRJXEMSFXQE-GOSISDBHSA-N 0 0 379.489 3.457 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](O)c1ccc2ccccc2c1 ZINC000158792221 1424342856 /nfs/dbraw/zinc/34/28/56/1424342856.db2.gz IXZUFPCDVQLLQD-SFHVURJKSA-N 0 0 386.860 3.377 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)cc1C#N ZINC000158801722 1424346081 /nfs/dbraw/zinc/34/60/81/1424346081.db2.gz FZEBBHUKEHURSE-UHFFFAOYSA-N 0 0 392.390 3.283 20 30 GGEDRN Cc1cc(S(=O)(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc([N+](=O)[O-])c1F ZINC000180062040 1429719504 /nfs/dbraw/zinc/71/95/04/1429719504.db2.gz XSWKQGZVMBDYGD-UHFFFAOYSA-N 0 0 389.408 3.267 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H]2CCCc3c2cnn3C)c1 ZINC000158835760 1424353508 /nfs/dbraw/zinc/35/35/08/1424353508.db2.gz MOGNKKCZOHHMPZ-LPHOPBHVSA-N 0 0 381.480 3.320 20 30 GGEDRN C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000180061530 1429719837 /nfs/dbraw/zinc/71/98/37/1429719837.db2.gz JZICHXVJNGDMNA-UHFFFAOYSA-N 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C#CCCCCNC(=O)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000159018042 1424397296 /nfs/dbraw/zinc/39/72/96/1424397296.db2.gz XIFIXIBCRWDYHY-UHFFFAOYSA-N 0 0 379.391 3.492 20 30 GGEDRN C#CCCCCNC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 ZINC000159041187 1424402999 /nfs/dbraw/zinc/40/29/99/1424402999.db2.gz APIOHHIHQZPHIZ-UHFFFAOYSA-N 0 0 390.505 3.050 20 30 GGEDRN CCc1cc(N2CCC(NC(=O)Nc3ccccc3O[C@H](C)C#N)CC2)ncn1 ZINC000180069153 1429723840 /nfs/dbraw/zinc/72/38/40/1429723840.db2.gz XAESPAFWANLKNA-OAHLLOKOSA-N 0 0 394.479 3.120 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)c1 ZINC000159058834 1424407059 /nfs/dbraw/zinc/40/70/59/1424407059.db2.gz BRIRVHXPAJWNGT-LPHOPBHVSA-N 0 0 384.480 3.353 20 30 GGEDRN C#CCOc1ccc(CNc2ccc([C@@]3(CC)CCC(=O)NC3=O)cc2)cc1 ZINC000159069727 1424409589 /nfs/dbraw/zinc/40/95/89/1424409589.db2.gz VXELUBRFLONNOP-HSZRJFAPSA-N 0 0 376.456 3.395 20 30 GGEDRN CC[C@]1(c2ccc(NCc3ccc(OC)c(C#N)c3)cc2)CCC(=O)NC1=O ZINC000159072409 1424410547 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GGEDRN C=CCn1c(SCC(=O)NC[C@H](C)CCO)nnc1-c1ccc(Cl)cc1 ZINC000159179274 1424436121 /nfs/dbraw/zinc/43/61/21/1424436121.db2.gz ZFAHBAAVXFJZAH-CYBMUJFWSA-N 0 0 394.928 3.011 20 30 GGEDRN COc1ccccc1N1CC[C@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000159186941 1424438514 /nfs/dbraw/zinc/43/85/14/1424438514.db2.gz FBXFYHKFICYSLW-GOSISDBHSA-N 0 0 393.487 3.367 20 30 GGEDRN CC[C@H](C)c1cc(C(=O)N2CCN([C@H](C#N)c3ccc(OC)cc3)CC2)on1 ZINC000159197526 1424441400 /nfs/dbraw/zinc/44/14/00/1424441400.db2.gz NZZLOPKOZKTRNA-HNAYVOBHSA-N 0 0 382.464 3.219 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)CCc2nc(-c3ccoc3)no2)cc1 ZINC000159205580 1424442000 /nfs/dbraw/zinc/44/20/00/1424442000.db2.gz QBGIZBTYZBUMQE-UHFFFAOYSA-N 0 0 381.392 3.208 20 30 GGEDRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)OC[C@@H](C#N)Cc2cccs2)C1 ZINC000180078092 1429727187 /nfs/dbraw/zinc/72/71/87/1429727187.db2.gz RRSSIZDBDCPASW-IAGOWNOFSA-N 0 0 391.537 3.441 20 30 GGEDRN CCCN(CC#N)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180078619 1429727284 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COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccn(CCC#N)n2)c1 ZINC000173356723 1426532041 /nfs/dbraw/zinc/53/20/41/1426532041.db2.gz KOVHUVXFKJGUQJ-SFHVURJKSA-N 0 0 383.452 3.018 20 30 GGEDRN COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccn(CCC#N)n1 ZINC000173357767 1426533268 /nfs/dbraw/zinc/53/32/68/1426533268.db2.gz IOMVZNKPPOPCKA-UHFFFAOYSA-N 0 0 379.823 3.270 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)COc1ccc(C=O)cc1Br ZINC000173361402 1426534936 /nfs/dbraw/zinc/53/49/36/1426534936.db2.gz MLOWCFRLZZZJLX-UHFFFAOYSA-N 0 0 387.233 3.171 20 30 GGEDRN N#CCCn1ccc(NC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)n1 ZINC000173362924 1426535670 /nfs/dbraw/zinc/53/56/70/1426535670.db2.gz FYJWBAVSTODHGT-UHFFFAOYSA-N 0 0 385.431 3.457 20 30 GGEDRN N#CCCn1ccc(NC(=O)NCC2(c3ccccc3Cl)CCOCC2)n1 ZINC000173363677 1426536706 /nfs/dbraw/zinc/53/67/06/1426536706.db2.gz DXSAHUIWKBQPTI-UHFFFAOYSA-N 0 0 387.871 3.320 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 ZINC000173381740 1426555550 /nfs/dbraw/zinc/55/55/50/1426555550.db2.gz ZGORXJQSIGIFIT-INIZCTEOSA-N 0 0 379.460 3.260 20 30 GGEDRN N#CCSc1ccccc1NC(=O)CN(CCO)[C@H]1CCc2ccccc21 ZINC000173387386 1426565518 /nfs/dbraw/zinc/56/55/18/1426565518.db2.gz JXRTZTYPUWBEQD-IBGZPJMESA-N 0 0 381.501 3.223 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1Cl ZINC000173393515 1426571481 /nfs/dbraw/zinc/57/14/81/1426571481.db2.gz QEPGLCIHEDRSMI-UHFFFAOYSA-N 0 0 383.835 3.051 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](COCc3ccccc3)C2)ccc1Cl ZINC000173399535 1426581356 /nfs/dbraw/zinc/58/13/56/1426581356.db2.gz OMZVXOSRWFJBND-MRXNPFEDSA-N 0 0 397.862 3.215 20 30 GGEDRN N#Cc1ccc(-n2nccc2NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000173416616 1426599736 /nfs/dbraw/zinc/59/97/36/1426599736.db2.gz ILSZTIDCEMPAJC-UHFFFAOYSA-N 0 0 385.427 3.274 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1C#N ZINC000173421601 1426603488 /nfs/dbraw/zinc/60/34/88/1426603488.db2.gz VVSQTAVFFFMDOH-UHFFFAOYSA-N 0 0 380.835 3.299 20 30 GGEDRN C[C@@H]1CN(c2ccc(NC(=O)NCc3ccc(OCC#N)cc3)cc2)CCO1 ZINC000173425374 1426607909 /nfs/dbraw/zinc/60/79/09/1426607909.db2.gz ULXQBAYTZVSQLU-MRXNPFEDSA-N 0 0 380.448 3.136 20 30 GGEDRN CCc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1[N+](=O)[O-] ZINC000173426755 1426608957 /nfs/dbraw/zinc/60/89/57/1426608957.db2.gz JDLXCXZDABWIEI-LJQANCHMSA-N 0 0 378.432 3.007 20 30 GGEDRN N#Cc1cc(NC(=O)CCOc2ccc(F)cc2)ccc1N1CCC(O)CC1 ZINC000173430586 1426612477 /nfs/dbraw/zinc/61/24/77/1426612477.db2.gz VXBFLYYATUQLIK-UHFFFAOYSA-N 0 0 383.423 3.066 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(-c2nnnn2CC)c1 ZINC000173456594 1426633003 /nfs/dbraw/zinc/63/30/03/1426633003.db2.gz JANNNVINJPCJCD-UHFFFAOYSA-N 0 0 387.447 3.452 20 30 GGEDRN CC(C)(C)Oc1ccc(CNC(=O)N2CCO[C@H](C#N)C2)c(C(F)(F)F)c1 ZINC000173459887 1426635232 /nfs/dbraw/zinc/63/52/32/1426635232.db2.gz MWVABTJNDQCCKR-CQSZACIVSA-N 0 0 385.386 3.317 20 30 GGEDRN N#C[C@@H]1CN(C(=O)[C@H]2SCCc3ccccc32)CCN1Cc1ccccc1 ZINC000173467094 1426641691 /nfs/dbraw/zinc/64/16/91/1426641691.db2.gz OMRCAQAEJRKAMN-CTNGQTDRSA-N 0 0 377.513 3.254 20 30 GGEDRN N#C[C@H]1CN(C(=O)[C@H]2SCCc3ccccc32)CCN1Cc1ccccc1 ZINC000173467076 1426642030 /nfs/dbraw/zinc/64/20/30/1426642030.db2.gz OMRCAQAEJRKAMN-FPOVZHCZSA-N 0 0 377.513 3.254 20 30 GGEDRN C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)Oc1ccc(F)cc1 ZINC000173470756 1426645065 /nfs/dbraw/zinc/64/50/65/1426645065.db2.gz OXOJVBBUGJJUFD-AWEZNQCLSA-N 0 0 383.423 3.149 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H](C)Oc2ccc(F)cc2)c1 ZINC000173474440 1426648060 /nfs/dbraw/zinc/64/80/60/1426648060.db2.gz NALIOZJJDFHLPZ-HNNXBMFYSA-N 0 0 386.423 3.303 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)C(=O)Nc2cccc(Oc3ccncc3)c2)c1 ZINC000173476407 1426650272 /nfs/dbraw/zinc/65/02/72/1426650272.db2.gz QLARZMIGOYYXQN-UHFFFAOYSA-N 0 0 390.374 3.140 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)C(=O)Nc2nc(-c3ccccc3F)cs2)c1 ZINC000173476574 1426650502 /nfs/dbraw/zinc/65/05/02/1426650502.db2.gz QIRHCISZFIICBA-UHFFFAOYSA-N 0 0 398.394 3.215 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)C(=O)Nc2ccccc2OC2CCCC2)c1 ZINC000173475919 1426650726 /nfs/dbraw/zinc/65/07/26/1426650726.db2.gz DLZZLQUCXBULFE-UHFFFAOYSA-N 0 0 381.407 3.274 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)C(=O)N2CC3(CCCC3)c3c2cccc3F)c1 ZINC000173477475 1426651395 /nfs/dbraw/zinc/65/13/95/1426651395.db2.gz FQDDTOLXPVBOKW-UHFFFAOYSA-N 0 0 395.409 3.311 20 30 GGEDRN CCCn1ccc2cc(NC(=O)C(=O)NCc3cc(C#N)ccc3F)ccc21 ZINC000173478444 1426652441 /nfs/dbraw/zinc/65/24/41/1426652441.db2.gz TUZBIHWAGZYVSZ-UHFFFAOYSA-N 0 0 378.407 3.317 20 30 GGEDRN CCCOc1ccc(NC(=O)C(=O)NCc2cc(C#N)ccc2F)cc1Cl ZINC000173480280 1426654004 /nfs/dbraw/zinc/65/40/04/1426654004.db2.gz NSEAYMHUBURJOL-UHFFFAOYSA-N 0 0 389.814 3.394 20 30 GGEDRN COc1ccccc1C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000173489600 1426662706 /nfs/dbraw/zinc/66/27/06/1426662706.db2.gz WZBQVEHEJPBRTN-ZDUSSCGKSA-N 0 0 385.851 3.248 20 30 GGEDRN N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)NCCC2CC2)cc1 ZINC000173495795 1426667157 /nfs/dbraw/zinc/66/71/57/1426667157.db2.gz NABUCJIQOJZZDM-UHFFFAOYSA-N 0 0 377.444 3.186 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H](C)Sc1ccccc1 ZINC000173507402 1426676371 /nfs/dbraw/zinc/67/63/71/1426676371.db2.gz IULPUFXZWAXKQW-AWEZNQCLSA-N 0 0 386.448 3.073 20 30 GGEDRN N#Cc1ccc(-c2nnc(CN3CCN(C/C=C/c4ccccc4)CC3)o2)cc1 ZINC000173510705 1426679685 /nfs/dbraw/zinc/67/96/85/1426679685.db2.gz HBPNBQKLDCXLLT-QPJJXVBHSA-N 0 0 385.471 3.439 20 30 GGEDRN C#CCCCNC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000173512264 1426682292 /nfs/dbraw/zinc/68/22/92/1426682292.db2.gz BRTNSWWEYNIHDH-UHFFFAOYSA-N 0 0 378.803 3.463 20 30 GGEDRN C=CCn1c(C)nn(CN(CC)CC2CCN(c3ccccn3)CC2)c1=S ZINC000173512558 1426682822 /nfs/dbraw/zinc/68/28/22/1426682822.db2.gz FEOFASHGFYKKNM-UHFFFAOYSA-N 0 0 386.569 3.500 20 30 GGEDRN C=CCOCCCC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC000173513053 1426683161 /nfs/dbraw/zinc/68/31/61/1426683161.db2.gz MGLGVBYJPAGFFF-YJBOKZPZSA-N 0 0 398.906 3.340 20 30 GGEDRN C#CCCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1 ZINC000173516911 1426688417 /nfs/dbraw/zinc/68/84/17/1426688417.db2.gz CRMURRYWRJHVNW-UHFFFAOYSA-N 0 0 384.407 3.403 20 30 GGEDRN N#Cc1ccccc1N1CCCN(Cc2nc(CCc3ccccc3)no2)CC1 ZINC000173524334 1426697210 /nfs/dbraw/zinc/69/72/10/1426697210.db2.gz HQYILMBLVOSROR-UHFFFAOYSA-N 0 0 387.487 3.439 20 30 GGEDRN C#CCCCNC(=O)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C ZINC000173523616 1426697407 /nfs/dbraw/zinc/69/74/07/1426697407.db2.gz GOYZZFLYBSIKHB-UHFFFAOYSA-N 0 0 378.432 3.107 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000173525549 1426698231 /nfs/dbraw/zinc/69/82/31/1426698231.db2.gz VJTQJCOVIZTZIP-PXAZEXFGSA-N 0 0 379.254 3.229 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000173526492 1426699705 /nfs/dbraw/zinc/69/97/05/1426699705.db2.gz NPJJVYOJLPROMP-CQSZACIVSA-N 0 0 385.468 3.158 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)NCC[C@@H](C)c2ccc(OC)cc2)c1 ZINC000173529159 1426703472 /nfs/dbraw/zinc/70/34/72/1426703472.db2.gz ZJNAVMVCIZUTNG-MRXNPFEDSA-N 0 0 379.460 3.108 20 30 GGEDRN C[C@@H](COCc1ccccc1)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000173530051 1426704301 /nfs/dbraw/zinc/70/43/01/1426704301.db2.gz HTRPMNPEHXYKBF-INIZCTEOSA-N 0 0 379.460 3.148 20 30 GGEDRN C=CCSCC[NH2+]Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735436463 1426709543 /nfs/dbraw/zinc/70/95/43/1426709543.db2.gz KMJXJSQTNIDLDS-UHFFFAOYSA-N 0 0 381.505 3.455 20 30 GGEDRN C=CCn1c2ccccc2n(CN(CCC(=O)OC)C2CCOCC2)c1=S ZINC000173534114 1426709920 /nfs/dbraw/zinc/70/99/20/1426709920.db2.gz DJNFIEOUQQLFBP-UHFFFAOYSA-N 0 0 389.521 3.360 20 30 GGEDRN Cc1noc(COCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n1 ZINC000173537443 1426713247 /nfs/dbraw/zinc/71/32/47/1426713247.db2.gz JILZRRBPMCCOCB-UHFFFAOYSA-N 0 0 382.351 3.336 20 30 GGEDRN Cc1n[nH]c(=O)c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C ZINC000173537160 1426713336 /nfs/dbraw/zinc/71/33/36/1426713336.db2.gz ZZWYLALGJRXCLK-UHFFFAOYSA-N 0 0 378.363 3.442 20 30 GGEDRN CC(C)CS(=O)(=O)CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000173537801 1426713707 /nfs/dbraw/zinc/71/37/07/1426713707.db2.gz QEWXDWJSJNMODS-UHFFFAOYSA-N 0 0 390.436 3.499 20 30 GGEDRN CCC(CC)[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)N1CCOCC1 ZINC000173544711 1426717754 /nfs/dbraw/zinc/71/77/54/1426717754.db2.gz MTEMFWUCEYHATP-JOCHJYFZSA-N 0 0 399.535 3.065 20 30 GGEDRN Cc1cc(-n2cncn2)ccc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000173544742 1426718623 /nfs/dbraw/zinc/71/86/23/1426718623.db2.gz XGVNZSIXQISPMH-UHFFFAOYSA-N 0 0 387.443 3.131 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCN(C)c2ccc(Cl)cc21 ZINC000173547196 1426720266 /nfs/dbraw/zinc/72/02/66/1426720266.db2.gz OCZPPHKWJYARNZ-UHFFFAOYSA-N 0 0 398.894 3.323 20 30 GGEDRN CCc1cnc(CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)s1 ZINC000173552491 1426725349 /nfs/dbraw/zinc/72/53/49/1426725349.db2.gz SDHAKNKBNPZHEA-GFCCVEGCSA-N 0 0 388.518 3.355 20 30 GGEDRN CCC(CC)CN(CCC#N)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1 ZINC000173553096 1426725973 /nfs/dbraw/zinc/72/59/73/1426725973.db2.gz PSYAWOQJARJUGE-UHFFFAOYSA-N 0 0 390.509 3.232 20 30 GGEDRN CCC(CC)CN(CCC#N)Cc1nnc2n1c1ccc(C)cc1c(=O)n2C ZINC000173554549 1426726651 /nfs/dbraw/zinc/72/66/51/1426726651.db2.gz ZYZWYLDLYILNQS-UHFFFAOYSA-N 0 0 380.496 3.042 20 30 GGEDRN N#Cc1ccc(-c2nnc(CN3CCCN(C(=O)c4ccsc4)CC3)o2)cc1 ZINC000173555305 1426727504 /nfs/dbraw/zinc/72/75/04/1426727504.db2.gz MXNKTCUKBBQALT-UHFFFAOYSA-N 0 0 393.472 3.018 20 30 GGEDRN COC(=O)CN(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(Cl)cc1 ZINC000173577703 1426744096 /nfs/dbraw/zinc/74/40/96/1426744096.db2.gz OJJHHNKRLRZFGP-UHFFFAOYSA-N 0 0 396.834 3.437 20 30 GGEDRN C#Cc1cccc(NC(=O)C(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)c1 ZINC000173605258 1426778295 /nfs/dbraw/zinc/77/82/95/1426778295.db2.gz FVFUVHIKKGAHTE-JOCHJYFZSA-N 0 0 390.483 3.165 20 30 GGEDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000173616289 1426795268 /nfs/dbraw/zinc/79/52/68/1426795268.db2.gz LDTFBQMQAGYZBH-SFHVURJKSA-N 0 0 385.480 3.057 20 30 GGEDRN CC[C@H](c1ccc(F)cc1F)N1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000173616305 1426795928 /nfs/dbraw/zinc/79/59/28/1426795928.db2.gz LDTFBQMQAGYZBH-GOSISDBHSA-N 0 0 385.480 3.057 20 30 GGEDRN CC(C)(C)OC(=O)N1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000173626744 1426802045 /nfs/dbraw/zinc/80/20/45/1426802045.db2.gz QFBQBYLOWMTOOM-UHFFFAOYSA-N 0 0 383.452 3.051 20 30 GGEDRN C[C@H](CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)Cc1cccs1 ZINC000173638018 1426805466 /nfs/dbraw/zinc/80/54/66/1426805466.db2.gz ZAYPFXKCBKWVHM-HNNXBMFYSA-N 0 0 386.496 3.469 20 30 GGEDRN CCC(CC)c1cc(CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)on1 ZINC000173649981 1426810156 /nfs/dbraw/zinc/81/01/56/1426810156.db2.gz FPJJZEUFHYPHAV-UHFFFAOYSA-N 0 0 394.479 3.358 20 30 GGEDRN COc1cccc(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1O ZINC000173652427 1426810892 /nfs/dbraw/zinc/81/08/92/1426810892.db2.gz HDKSROYBXIFSJE-UHFFFAOYSA-N 0 0 378.350 3.271 20 30 GGEDRN CC(=O)N1CCC(CCC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)CC1 ZINC000173653463 1426811163 /nfs/dbraw/zinc/81/11/63/1426811163.db2.gz YSABFTQYVKEFST-UHFFFAOYSA-N 0 0 395.425 3.488 20 30 GGEDRN C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)Oc1ccc(Cl)cc1 ZINC000173666171 1426814579 /nfs/dbraw/zinc/81/45/79/1426814579.db2.gz HOXSEQVEMWAXSE-CYBMUJFWSA-N 0 0 395.850 3.177 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](OC)c1ccc(F)cc1 ZINC000173667991 1426815147 /nfs/dbraw/zinc/81/51/47/1426815147.db2.gz JKMJQDKILHNJRA-HXUWFJFHSA-N 0 0 385.439 3.243 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)cc1 ZINC000173672000 1426816343 /nfs/dbraw/zinc/81/63/43/1426816343.db2.gz NFSTXUBCHAXLPM-FQEVSTJZSA-N 0 0 391.471 3.041 20 30 GGEDRN CO[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccc(F)cc1 ZINC000173674472 1426817536 /nfs/dbraw/zinc/81/75/36/1426817536.db2.gz BZCYYGABGUSCCB-OAQYLSRUSA-N 0 0 396.466 3.307 20 30 GGEDRN C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N(C)Cc1nccn1C(F)F ZINC000173676383 1426817744 /nfs/dbraw/zinc/81/77/44/1426817744.db2.gz MWMIMBFAEUCPCK-LURJTMIESA-N 0 0 398.282 3.433 20 30 GGEDRN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)Cc1nccn1C(F)F ZINC000173682347 1426820036 /nfs/dbraw/zinc/82/00/36/1426820036.db2.gz IFSGQJRGUNEWQC-ZDUSSCGKSA-N 0 0 379.386 3.184 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H](n2ccnc2)Cc2ccccc21 ZINC000173689714 1426821748 /nfs/dbraw/zinc/82/17/48/1426821748.db2.gz NTNVFELYRJBRBT-OAHLLOKOSA-N 0 0 398.875 3.401 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NCc2cccc(N3CC=CC3)c2)c1 ZINC000173701712 1426825450 /nfs/dbraw/zinc/82/54/50/1426825450.db2.gz VHOHZBIVNDSSGX-UHFFFAOYSA-N 0 0 391.471 3.273 20 30 GGEDRN C#CCCCNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000173711513 1426828832 /nfs/dbraw/zinc/82/88/32/1426828832.db2.gz FUCCSSOECCEVKF-UHFFFAOYSA-N 0 0 375.270 3.423 20 30 GGEDRN C=CCN(C(=O)/C=C(\C)c1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000173715862 1426829779 /nfs/dbraw/zinc/82/97/79/1426829779.db2.gz FREIWEAZPHNWFY-QSOAKEGCSA-N 0 0 387.423 3.310 20 30 GGEDRN C=CCN(C(=O)c1cc(C2CC2)nc2ccc(F)cc21)[C@H]1CCS(=O)(=O)C1 ZINC000173715986 1426830313 /nfs/dbraw/zinc/83/03/13/1426830313.db2.gz AVGUQIGFNCVDES-HNNXBMFYSA-N 0 0 388.464 3.067 20 30 GGEDRN CCC(=O)N(C)c1ccccc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000173736046 1426834844 /nfs/dbraw/zinc/83/48/44/1426834844.db2.gz KLCGUKDVPBRNBN-OAQYLSRUSA-N 0 0 390.487 3.082 20 30 GGEDRN Cc1nc(-c2cccc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2)cs1 ZINC000173735878 1426834912 /nfs/dbraw/zinc/83/49/12/1426834912.db2.gz LEUYJHYQEHZXOO-UHFFFAOYSA-N 0 0 389.484 3.348 20 30 GGEDRN C[C@@H](CC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)C(=O)c1cccc(F)c1 ZINC000173736946 1426835232 /nfs/dbraw/zinc/83/52/32/1426835232.db2.gz PQVKSQUYYIUCGA-LAUBAEHRSA-N 0 0 393.462 3.444 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000173738315 1426835629 /nfs/dbraw/zinc/83/56/29/1426835629.db2.gz DRUUFQXFXQVFAH-UHFFFAOYSA-N 0 0 399.442 3.480 20 30 GGEDRN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1-c1ccc(OC)c(C#N)c1 ZINC000173738972 1426835709 /nfs/dbraw/zinc/83/57/09/1426835709.db2.gz WKHXXWOUEKQRPL-UHFFFAOYSA-N 0 0 384.461 3.031 20 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/nfs/dbraw/zinc/84/91/15/1426849115.db2.gz QDMKYUQGHSXPSJ-SFHVURJKSA-N 0 0 397.450 3.418 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)N(C)Cc1ccccc1N1CCOCC1 ZINC000173781228 1426849468 /nfs/dbraw/zinc/84/94/68/1426849468.db2.gz SIHMVCNXTQHLBK-UHFFFAOYSA-N 0 0 397.450 3.338 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)N1CCC(C(=O)N(C)CCCC)CC1 ZINC000173782070 1426849825 /nfs/dbraw/zinc/84/98/25/1426849825.db2.gz ZLQNNEYPGKDJLW-UHFFFAOYSA-N 0 0 389.471 3.340 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000173785948 1426851013 /nfs/dbraw/zinc/85/10/13/1426851013.db2.gz SJKBULHMLJGXQN-MRXNPFEDSA-N 0 0 381.407 3.044 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000173786897 1426851272 /nfs/dbraw/zinc/85/12/72/1426851272.db2.gz WQZPRMUJUYYGTA-LJQANCHMSA-N 0 0 382.435 3.067 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000173786908 1426851331 /nfs/dbraw/zinc/85/13/31/1426851331.db2.gz WQZPRMUJUYYGTA-IBGZPJMESA-N 0 0 382.435 3.067 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000173787968 1426851588 /nfs/dbraw/zinc/85/15/88/1426851588.db2.gz DQHVLPIMMNYZQW-UHFFFAOYSA-N 0 0 398.394 3.100 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C)c(C(=O)OC)c1 ZINC000173788265 1426851676 /nfs/dbraw/zinc/85/16/76/1426851676.db2.gz NNBWNUFXXQXJIG-UHFFFAOYSA-N 0 0 384.457 3.030 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)N1CCCN(Cc2cscn2)CC1 ZINC000173794495 1426853090 /nfs/dbraw/zinc/85/30/90/1426853090.db2.gz XXCAITVORAKZBZ-UHFFFAOYSA-N 0 0 388.468 3.034 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000173796961 1426853572 /nfs/dbraw/zinc/85/35/72/1426853572.db2.gz WIXNWKNHGQYPBH-UHFFFAOYSA-N 0 0 396.397 3.203 20 30 GGEDRN N#CCCN(C(=O)CCC(=O)N[C@@H]1CCCC[C@H]1n1cccn1)c1ccccc1 ZINC000173798667 1426854374 /nfs/dbraw/zinc/85/43/74/1426854374.db2.gz MIVYSTDCPGGLIW-WOJBJXKFSA-N 0 0 393.491 3.210 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)NCc1ccc(-n2nc(C)cc2C)nc1 ZINC000173801031 1426854662 /nfs/dbraw/zinc/85/46/62/1426854662.db2.gz MPBDXAAKTGEIBN-UHFFFAOYSA-N 0 0 393.422 3.357 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)NCc1cccc(NC(=O)N(C)C)c1 ZINC000173802804 1426855500 /nfs/dbraw/zinc/85/55/00/1426855500.db2.gz NAYBIEJVNWOXPI-UHFFFAOYSA-N 0 0 384.411 3.253 20 30 GGEDRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000173807845 1426857050 /nfs/dbraw/zinc/85/70/50/1426857050.db2.gz TYNCRERGRUWQQP-UYAOXDASSA-N 0 0 377.444 3.089 20 30 GGEDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000173807856 1426857065 /nfs/dbraw/zinc/85/70/65/1426857065.db2.gz TYNCRERGRUWQQP-QUCCMNQESA-N 0 0 377.444 3.089 20 30 GGEDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000173809837 1426857410 /nfs/dbraw/zinc/85/74/10/1426857410.db2.gz DOROKETWFWEEGG-JXFKEZNVSA-N 0 0 395.434 3.228 20 30 GGEDRN CC(=O)N1CCc2cc(N[C@H](C)C(=O)N(CCC#N)c3ccccc3)ccc21 ZINC000173820117 1426860039 /nfs/dbraw/zinc/86/00/39/1426860039.db2.gz WTPLRTAIUNKUTI-MRXNPFEDSA-N 0 0 376.460 3.343 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@](C)(CCC)C2)cc1 ZINC000173820736 1426860276 /nfs/dbraw/zinc/86/02/76/1426860276.db2.gz WBDDHOULDWZTQA-NRFANRHFSA-N 0 0 386.496 3.361 20 30 GGEDRN CCN(C(=O)CCNC(=O)c1ccc(C)cc1O)[C@H](C)c1ccc(C#N)cc1 ZINC000173826109 1426861734 /nfs/dbraw/zinc/86/17/34/1426861734.db2.gz BPMAYXSPZWNALX-MRXNPFEDSA-N 0 0 379.460 3.302 20 30 GGEDRN C=C(Br)CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000173855356 1426872050 /nfs/dbraw/zinc/87/20/50/1426872050.db2.gz DCMPWPUKCXWSRE-CQSZACIVSA-N 0 0 383.286 3.320 20 30 GGEDRN C[C@H](Nc1ccc(C(=O)NC2CC2)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000173861428 1426873992 /nfs/dbraw/zinc/87/39/92/1426873992.db2.gz NQYIFFPWAQRINK-INIZCTEOSA-N 0 0 376.460 3.326 20 30 GGEDRN C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000173861441 1426874020 /nfs/dbraw/zinc/87/40/20/1426874020.db2.gz NQYIFFPWAQRINK-MRXNPFEDSA-N 0 0 376.460 3.326 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)Oc1cccc(C)c1 ZINC000173862261 1426874035 /nfs/dbraw/zinc/87/40/35/1426874035.db2.gz JBDQCLDFOYODRI-GOSISDBHSA-N 0 0 381.476 3.492 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-c2nnc(C)o2)c1 ZINC000173877240 1426878863 /nfs/dbraw/zinc/87/88/63/1426878863.db2.gz WSPGOFXQVGEICZ-UHFFFAOYSA-N 0 0 376.416 3.206 20 30 GGEDRN C=CCCCCCN(C)C(=O)[C@@H](C)NC(=O)c1cc2c(C)nn(C)c2s1 ZINC000173878895 1426879336 /nfs/dbraw/zinc/87/93/36/1426879336.db2.gz KBPWZDFGZVKGFT-CQSZACIVSA-N 0 0 376.526 3.266 20 30 GGEDRN C=CCOCCCC(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000173885107 1426881299 /nfs/dbraw/zinc/88/12/99/1426881299.db2.gz YYUGNWZAPCZZHY-UHFFFAOYSA-N 0 0 379.888 3.389 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)Oc1cccc(F)c1 ZINC000173894869 1426883739 /nfs/dbraw/zinc/88/37/39/1426883739.db2.gz KXMWDRNWLFWERH-INIZCTEOSA-N 0 0 385.439 3.323 20 30 GGEDRN COc1ccc([C@@H]2[C@@H](C(=O)[C@@H](C#N)c3nc(C)cs3)CCC(=O)N2C)cc1 ZINC000173897679 1426884046 /nfs/dbraw/zinc/88/40/46/1426884046.db2.gz FDBHWFYEHOAZEL-LZLYRXPVSA-N 0 0 383.473 3.246 20 30 GGEDRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)[C@H](C#N)c2nc3ccccc3n2C)cc1 ZINC000173901887 1426885599 /nfs/dbraw/zinc/88/55/99/1426885599.db2.gz ZWHUEEBDMLTLFT-PXNSSMCTSA-N 0 0 386.455 3.249 20 30 GGEDRN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)Cc1csc(NC(=O)C(C)(C)C)n1 ZINC000173902753 1426885797 /nfs/dbraw/zinc/88/57/97/1426885797.db2.gz HPMYMUBJJIUQJG-ZDUSSCGKSA-N 0 0 395.488 3.433 20 30 GGEDRN Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000173902924 1426886052 /nfs/dbraw/zinc/88/60/52/1426886052.db2.gz CORDIRCWHUTDCP-SFHVURJKSA-N 0 0 377.492 3.033 20 30 GGEDRN N#C[C@H](C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)c1nc2ccccc2[nH]1 ZINC000173903109 1426886440 /nfs/dbraw/zinc/88/64/40/1426886440.db2.gz UHIXLFWJQJAWFC-GFCCVEGCSA-N 0 0 379.807 3.236 20 30 GGEDRN CC(C)(C)C(=O)Nc1nc(CC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cs1 ZINC000173905277 1426886835 /nfs/dbraw/zinc/88/68/35/1426886835.db2.gz MQNRGEAVDKYUDB-LBPRGKRZSA-N 0 0 381.461 3.423 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000173918796 1426892046 /nfs/dbraw/zinc/89/20/46/1426892046.db2.gz IYSUFTUYFLSHHJ-UHFFFAOYSA-N 0 0 387.798 3.273 20 30 GGEDRN C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c2cc(Cl)ccc2O1 ZINC000173928182 1426895989 /nfs/dbraw/zinc/89/59/89/1426895989.db2.gz KJKFYKQJILNWJX-JTQLQIEISA-N 0 0 393.808 3.096 20 30 GGEDRN COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSC[C@@H](C)CO)cc1 ZINC000173933732 1426898211 /nfs/dbraw/zinc/89/82/11/1426898211.db2.gz GJEBMKDSRMUZBS-ZDUSSCGKSA-N 0 0 387.505 3.275 20 30 GGEDRN CCOCCCNC(=O)C(C#N)=C(O)C=C(C)c1cccc(C(F)(F)F)c1 ZINC000173934295 1426898244 /nfs/dbraw/zinc/89/82/44/1426898244.db2.gz YSMQKIWJEBZMML-QSOAKEGCSA-N 0 0 382.382 3.360 20 30 GGEDRN Cc1ccc(I)c(OC(=O)c2ccc(C#N)c(C)n2)c1 ZINC000173935350 1426898775 /nfs/dbraw/zinc/89/87/75/1426898775.db2.gz MOXNQVQUEJOSFE-UHFFFAOYSA-N 0 0 378.169 3.394 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)Oc1ccc(C)cc1 ZINC000173936401 1426898877 /nfs/dbraw/zinc/89/88/77/1426898877.db2.gz AMIWTQUYOVNHCM-GOSISDBHSA-N 0 0 381.476 3.492 20 30 GGEDRN C[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC000173935987 1426898899 /nfs/dbraw/zinc/89/88/99/1426898899.db2.gz PDJBPGYZMXZOCH-DYESRHJHSA-N 0 0 396.512 3.125 20 30 GGEDRN C[C@H](Nc1ccc(CC(=O)N(C)C)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000173937467 1426899292 /nfs/dbraw/zinc/89/92/92/1426899292.db2.gz PJAVUBIUBJOAAG-KRWDZBQOSA-N 0 0 378.476 3.065 20 30 GGEDRN C[C@@H](Nc1ccc(CC(=O)N(C)C)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000173937049 1426899349 /nfs/dbraw/zinc/89/93/49/1426899349.db2.gz KVPOCQTZVAJJNS-MRXNPFEDSA-N 0 0 396.466 3.204 20 30 GGEDRN CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000173940499 1426900885 /nfs/dbraw/zinc/90/08/85/1426900885.db2.gz VINGRFMNRVRMRU-AWEZNQCLSA-N 0 0 390.509 3.012 20 30 GGEDRN C[C@@H](C(=O)[C@H](C#N)c1nc(N)nc(Nc2ccccc2)n1)c1cccc(F)c1 ZINC000173946470 1426904220 /nfs/dbraw/zinc/90/42/20/1426904220.db2.gz JVSALMZCLGXKLB-WBMJQRKESA-N 0 0 376.395 3.316 20 30 GGEDRN CC[C@@H](C)C[C@H](C)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000173952943 1426906402 /nfs/dbraw/zinc/90/64/02/1426906402.db2.gz ZGMXLDAEOHBZBK-CABCVRRESA-N 0 0 385.468 3.463 20 30 GGEDRN Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)ccc1-n1cncn1 ZINC000173952817 1426906852 /nfs/dbraw/zinc/90/68/52/1426906852.db2.gz HSWZWZZYIDGXLV-INIZCTEOSA-N 0 0 379.807 3.190 20 30 GGEDRN CC[C@H](C)C[C@@H](C)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000173952928 1426906893 /nfs/dbraw/zinc/90/68/93/1426906893.db2.gz ZGMXLDAEOHBZBK-LSDHHAIUSA-N 0 0 385.468 3.463 20 30 GGEDRN Cc1ccc(N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1N1CCOC1=O ZINC000173958524 1426909759 /nfs/dbraw/zinc/90/97/59/1426909759.db2.gz GWQGECKBSDIPPB-GOSISDBHSA-N 0 0 376.416 3.041 20 30 GGEDRN C=CCc1ccccc1OC[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000173960023 1426911247 /nfs/dbraw/zinc/91/12/47/1426911247.db2.gz KOHUXFIDGKVKJJ-QGZVFWFLSA-N 0 0 380.404 3.022 20 30 GGEDRN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)c1 ZINC000173962736 1426913046 /nfs/dbraw/zinc/91/30/46/1426913046.db2.gz ZOLYWAWHJNHEMC-HNNXBMFYSA-N 0 0 396.834 3.139 20 30 GGEDRN COc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@H](C)CCOc2ccccc2)cc1 ZINC000173968877 1426914628 /nfs/dbraw/zinc/91/46/28/1426914628.db2.gz NVZBMEYSJCGRJR-OXQOHEQNSA-N 0 0 380.444 3.125 20 30 GGEDRN COc1ccc(CNC(=O)[C@@H](C#N)C(=O)[C@@H](C)CCOc2ccccc2)cc1 ZINC000173968889 1426914693 /nfs/dbraw/zinc/91/46/93/1426914693.db2.gz NVZBMEYSJCGRJR-JXFKEZNVSA-N 0 0 380.444 3.125 20 30 GGEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nccnc2C(N)=O)cc1Cl ZINC000173969263 1426915420 /nfs/dbraw/zinc/91/54/20/1426915420.db2.gz AKVKIMAATDNTIL-HNNXBMFYSA-N 0 0 391.818 3.137 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@H](C)c2cccc(F)c2)cc1OC ZINC000173971449 1426916353 /nfs/dbraw/zinc/91/63/53/1426916353.db2.gz IZVTZJZPWWKAJJ-RDTXWAMCSA-N 0 0 398.434 3.014 20 30 GGEDRN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)C2CCCCCCC2)cc1OC ZINC000173971268 1426916538 /nfs/dbraw/zinc/91/65/38/1426916538.db2.gz XQYGVLZIWFACMI-SFHVURJKSA-N 0 0 386.492 3.432 20 30 GGEDRN CCCNC(=O)CCCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000173976151 1426920685 /nfs/dbraw/zinc/92/06/85/1426920685.db2.gz XTOUSCSNELQJPB-LBPRGKRZSA-N 0 0 384.263 3.337 20 30 GGEDRN Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1-n1cncn1 ZINC000173979166 1426922552 /nfs/dbraw/zinc/92/25/52/1426922552.db2.gz MVRCAFKPWRSHPO-AWEZNQCLSA-N 0 0 397.797 3.329 20 30 GGEDRN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000173978905 1426922620 /nfs/dbraw/zinc/92/26/20/1426922620.db2.gz KXVHSMVTVBJXCV-MEBBXXQBSA-N 0 0 390.846 3.356 20 30 GGEDRN CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)c2cccc(F)c2)cc1 ZINC000173980762 1426924437 /nfs/dbraw/zinc/92/44/37/1426924437.db2.gz BKMGLEUIOJLDJN-FZKQIMNGSA-N 0 0 382.391 3.453 20 30 GGEDRN CNC(=O)c1cccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000173981408 1426924487 /nfs/dbraw/zinc/92/44/87/1426924487.db2.gz XRPOQWKYLPCQHR-HNNXBMFYSA-N 0 0 390.226 3.314 20 30 GGEDRN CC(C)NC(=O)CCCC(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000173981249 1426924600 /nfs/dbraw/zinc/92/46/00/1426924600.db2.gz ONUALTKLXYAMGZ-CQSZACIVSA-N 0 0 384.263 3.336 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000173994764 1426931451 /nfs/dbraw/zinc/93/14/51/1426931451.db2.gz YGXPTMICBRUAOL-KZNAEPCWSA-N 0 0 398.409 3.145 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@H](C)CCc2ccccc2F)cc1 ZINC000173995317 1426932242 /nfs/dbraw/zinc/93/22/42/1426932242.db2.gz FSHLJGSFOCDWBR-OXQOHEQNSA-N 0 0 396.462 3.471 20 30 GGEDRN COc1ccc(CNC(=O)[C@@H](C#N)C(=O)[C@@H](C)CCc2cccc(F)c2)cc1 ZINC000173996060 1426932570 /nfs/dbraw/zinc/93/25/70/1426932570.db2.gz IEDDOXQDEDUOHF-YWZLYKJASA-N 0 0 382.435 3.428 20 30 GGEDRN COc1ccc(CNC(=O)[C@@H](C#N)C(=O)CCc2c[nH]c3c2cccc3C)cc1 ZINC000173996294 1426933399 /nfs/dbraw/zinc/93/33/99/1426933399.db2.gz GVXNWDNLVLQSMC-FQEVSTJZSA-N 0 0 389.455 3.443 20 30 GGEDRN C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccn1)c1ccc(Br)s1 ZINC000174011054 1426942331 /nfs/dbraw/zinc/94/23/31/1426942331.db2.gz HRUDEEYKBOLSJA-VHSXEESVSA-N 0 0 378.251 3.357 20 30 GGEDRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000174011123 1426942580 /nfs/dbraw/zinc/94/25/80/1426942580.db2.gz FILCTIPYKNDCJR-OAHLLOKOSA-N 0 0 379.807 3.190 20 30 GGEDRN C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccccn1)c1ccc(Br)s1 ZINC000174011079 1426942714 /nfs/dbraw/zinc/94/27/14/1426942714.db2.gz HRUDEEYKBOLSJA-UWVGGRQHSA-N 0 0 378.251 3.357 20 30 GGEDRN Cc1ccc(CNC(=O)c2nnc(COc3ccc(C#N)c(F)c3)s2)cc1 ZINC000174018401 1426946879 /nfs/dbraw/zinc/94/68/79/1426946879.db2.gz TVVTXUOUCGOFIL-UHFFFAOYSA-N 0 0 382.420 3.366 20 30 GGEDRN Cc1ccc(NCCCNC(=O)NCc2cc(C#N)ccc2F)c([N+](=O)[O-])c1 ZINC000174020946 1426948477 /nfs/dbraw/zinc/94/84/77/1426948477.db2.gz UFXZDCYBUONTTQ-UHFFFAOYSA-N 0 0 385.399 3.215 20 30 GGEDRN Cc1nc(SCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n[nH]1 ZINC000174020924 1426948676 /nfs/dbraw/zinc/94/86/76/1426948676.db2.gz KYLURKBYKRKUGR-UHFFFAOYSA-N 0 0 393.472 3.489 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000174022233 1426949439 /nfs/dbraw/zinc/94/94/39/1426949439.db2.gz HUAPGWLDCQZTGU-HNNXBMFYSA-N 0 0 390.459 3.144 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H](CC)Cc2ccccc2)c1 ZINC000174023198 1426950141 /nfs/dbraw/zinc/95/01/41/1426950141.db2.gz OUPNSNSCDFKODR-LJQANCHMSA-N 0 0 386.517 3.244 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000174026550 1426952629 /nfs/dbraw/zinc/95/26/29/1426952629.db2.gz FWARAUNMVSATNC-UHFFFAOYSA-N 0 0 384.430 3.254 20 30 GGEDRN C[C@H](NC(=O)NCc1cc(C#N)ccc1F)c1nc(-c2cccc(F)c2)no1 ZINC000174031840 1426954823 /nfs/dbraw/zinc/95/48/23/1426954823.db2.gz HCLVMCGQLZAZTE-NSHDSACASA-N 0 0 383.358 3.447 20 30 GGEDRN CCc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000174030180 1426955129 /nfs/dbraw/zinc/95/51/29/1426955129.db2.gz WLZCIICLCAUNFF-FQEVSTJZSA-N 0 0 378.432 3.180 20 30 GGEDRN COc1ccc(N2CCC(NC(=O)NCc3cc(C#N)ccc3F)CC2)cc1 ZINC000174031179 1426955333 /nfs/dbraw/zinc/95/53/33/1426955333.db2.gz NDEKPUTZABLJMM-UHFFFAOYSA-N 0 0 382.439 3.174 20 30 GGEDRN Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nc(-c3nc[nH]n3)no2)n1 ZINC000174034778 1426958310 /nfs/dbraw/zinc/95/83/10/1426958310.db2.gz AGTUUACWOZQTOZ-SSDOTTSWSA-N 0 0 381.343 3.302 20 30 GGEDRN CCC(CC)c1cc(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)on1 ZINC000174039318 1426962195 /nfs/dbraw/zinc/96/21/95/1426962195.db2.gz QOSUFBOUHHCRAA-UHFFFAOYSA-N 0 0 378.436 3.148 20 30 GGEDRN Cc1cccc(CN(Cc2ccccn2)C(=O)CNC(=O)c2ccc(C#N)cc2)c1 ZINC000174046780 1426970320 /nfs/dbraw/zinc/97/03/20/1426970320.db2.gz SPSGMYOXIWAHGU-UHFFFAOYSA-N 0 0 398.466 3.221 20 30 GGEDRN C#CCCOc1ccc(/C=C2\NC(=S)N(c3cccc(OC)c3)C2=O)cc1 ZINC000174058189 1426977717 /nfs/dbraw/zinc/97/77/17/1426977717.db2.gz SIXHJBPCEVQIJK-UYRXBGFRSA-N 0 0 378.453 3.360 20 30 GGEDRN C=CCn1c(C)nnc1S(=O)(=O)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000174066980 1426984495 /nfs/dbraw/zinc/98/44/95/1426984495.db2.gz HVGGIZAMXKCCFF-JTQLQIEISA-N 0 0 393.856 3.011 20 30 GGEDRN CCN(C(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O)c1ccc(C#N)cc1 ZINC000174070698 1426986519 /nfs/dbraw/zinc/98/65/19/1426986519.db2.gz PPAYBEYGSHTSCV-NYHFZMIOSA-N 0 0 396.491 3.048 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)c1 ZINC000174073452 1426987915 /nfs/dbraw/zinc/98/79/15/1426987915.db2.gz HDRFQGIXXOXIIC-OAHLLOKOSA-N 0 0 380.419 3.113 20 30 GGEDRN CCN(C(=O)c1nn(-c2ccccc2F)c(C)cc1=O)c1ccc(C#N)cc1 ZINC000174075707 1426989451 /nfs/dbraw/zinc/98/94/51/1426989451.db2.gz YZAHZQZWTJROKT-UHFFFAOYSA-N 0 0 376.391 3.218 20 30 GGEDRN CN(CC(=O)NCc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1C=O ZINC000174075413 1426989779 /nfs/dbraw/zinc/98/97/79/1426989779.db2.gz VAVZHLYVXJTTJB-UHFFFAOYSA-N 0 0 375.350 3.142 20 30 GGEDRN CCN(C(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000174076971 1426990047 /nfs/dbraw/zinc/99/00/47/1426990047.db2.gz YQYBZOISKSVNHJ-UHFFFAOYSA-N 0 0 391.471 3.229 20 30 GGEDRN CCN(C(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)c1ccc(C#N)cc1 ZINC000174077216 1426990332 /nfs/dbraw/zinc/99/03/32/1426990332.db2.gz LSJPINNJYAZBER-UHFFFAOYSA-N 0 0 385.489 3.255 20 30 GGEDRN CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000174077688 1426990409 /nfs/dbraw/zinc/99/04/09/1426990409.db2.gz XNCCWKDZSDSXHJ-IUXPMGMMSA-N 0 0 382.445 3.140 20 30 GGEDRN CCN(C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C)c1ccc(C#N)cc1 ZINC000174076889 1426990513 /nfs/dbraw/zinc/99/05/13/1426990513.db2.gz LVULEUQDKAGCQL-UHFFFAOYSA-N 0 0 388.475 3.363 20 30 GGEDRN Cc1ccc([C@@H]2OCCC[C@H]2CNS(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000174080571 1426991786 /nfs/dbraw/zinc/99/17/86/1426991786.db2.gz JCISCYUERLXXSR-SFTDATJTSA-N 0 0 384.501 3.454 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000174084137 1426994081 /nfs/dbraw/zinc/99/40/81/1426994081.db2.gz UMELNLRPBJVZSA-GOSISDBHSA-N 0 0 383.517 3.152 20 30 GGEDRN C=CCN(Cc1nnc(-c2ccccc2OC)o1)S(=O)(=O)c1cccs1 ZINC000174085699 1426994679 /nfs/dbraw/zinc/99/46/79/1426994679.db2.gz ZLNQJZMZSZATQD-UHFFFAOYSA-N 0 0 391.474 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N#CCc1ccc(NC(=O)N2CCN(c3ncnc4ccsc43)CC2)cc1 ZINC000174715769 1427327520 /nfs/dbraw/zinc/32/75/20/1427327520.db2.gz GJGCZVWLBPLWCV-UHFFFAOYSA-N 0 0 378.461 3.111 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c1C#N ZINC000174721037 1427329902 /nfs/dbraw/zinc/32/99/02/1427329902.db2.gz UUCBRDRLACQMEC-OAHLLOKOSA-N 0 0 388.427 3.353 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c1C#N ZINC000174721027 1427330135 /nfs/dbraw/zinc/33/01/35/1427330135.db2.gz UUCBRDRLACQMEC-HNNXBMFYSA-N 0 0 388.427 3.353 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCN(C)c2ccc(F)cc21 ZINC000174721720 1427330769 /nfs/dbraw/zinc/33/07/69/1427330769.db2.gz QSARTPIIQGQXCR-UHFFFAOYSA-N 0 0 383.423 3.348 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000174727313 1427333972 /nfs/dbraw/zinc/33/39/72/1427333972.db2.gz AMZKJCVCKHHVND-UHFFFAOYSA-N 0 0 375.350 3.260 20 30 GGEDRN Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)ccc1C(F)(F)F ZINC000174728759 1427334833 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N#Cc1ccccc1OCc1ccc(C(=O)OCCNC(=O)c2ccccc2)o1 ZINC000174776828 1427361359 /nfs/dbraw/zinc/36/13/59/1427361359.db2.gz RSZLUESFAFBRDP-UHFFFAOYSA-N 0 0 390.395 3.317 20 30 GGEDRN N#Cc1ccc(OC[C@H](O)CN(Cc2cccnc2)c2nc3ccccc3[nH]2)cc1 ZINC000174794598 1427372242 /nfs/dbraw/zinc/37/22/42/1427372242.db2.gz NKVPKACQEXJNQX-LJQANCHMSA-N 0 0 399.454 3.276 20 30 GGEDRN C=CCc1ccccc1OC[C@@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000174797742 1427374144 /nfs/dbraw/zinc/37/41/44/1427374144.db2.gz CDERNXHLPMVQDO-SFHVURJKSA-N 0 0 380.404 3.022 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)Nc2cccc(-c3nnc4n3CCC4)c2)c1 ZINC000174800687 1427376366 /nfs/dbraw/zinc/37/63/66/1427376366.db2.gz LKSPPFVNUVNTMM-UHFFFAOYSA-N 0 0 376.395 3.224 20 30 GGEDRN C[C@H](c1ccccn1)N(C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174801798 1427377071 /nfs/dbraw/zinc/37/70/71/1427377071.db2.gz ZBVPWRQPNCPPIH-LLVKDONJSA-N 0 0 376.338 3.130 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N(CC=C)CCc1ccccc1 ZINC000174802326 1427377445 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GGEDRN Cc1cccc(CCNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000174815972 1427383861 /nfs/dbraw/zinc/38/38/61/1427383861.db2.gz GIXRHWYDVRRUMT-UHFFFAOYSA-N 0 0 375.350 3.183 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCCc1ccc(Cl)cc1 ZINC000174816765 1427384182 /nfs/dbraw/zinc/38/41/82/1427384182.db2.gz SPUHTMIISIXNDV-UHFFFAOYSA-N 0 0 388.826 3.179 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC(C)(C)c1ccccc1C ZINC000174819825 1427386431 /nfs/dbraw/zinc/38/64/31/1427386431.db2.gz YNVHSSPLNJSJSD-UHFFFAOYSA-N 0 0 382.435 3.179 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)Nc2cnn(Cc3ccccc3)c2)CC1 ZINC000174826611 1427389323 /nfs/dbraw/zinc/38/93/23/1427389323.db2.gz VEMDTKLLXQXITN-UHFFFAOYSA-N 0 0 386.459 3.157 20 30 GGEDRN CCCn1ccc2ccc(NC(=O)C(=O)NCc3ccc(OCC#N)cc3)cc21 ZINC000174829186 1427390942 /nfs/dbraw/zinc/39/09/42/1427390942.db2.gz TVVLRXUKNKQWMM-UHFFFAOYSA-N 0 0 390.443 3.209 20 30 GGEDRN N#CCCN(CCN1CCOCC1)Cc1cccc(OCc2ccccc2)c1 ZINC000174831717 1427392441 /nfs/dbraw/zinc/39/24/41/1427392441.db2.gz 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GGEDRN C[C@@H](OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc(C#N)cc1 ZINC000175760996 1427882006 /nfs/dbraw/zinc/88/20/06/1427882006.db2.gz ZIIDLVVEQZEOSA-UZLBHIALSA-N 0 0 398.484 3.406 20 30 GGEDRN CC(C)[C@@H](C(=O)O[C@@H](C)c1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O ZINC000175761063 1427882204 /nfs/dbraw/zinc/88/22/04/1427882204.db2.gz WVFMOCAJMBFOTM-LIRRHRJNSA-N 0 0 376.412 3.483 20 30 GGEDRN C[C@@H](OC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccc(C#N)cc1 ZINC000175769005 1427885892 /nfs/dbraw/zinc/88/58/92/1427885892.db2.gz YHDAZDLFZWFECR-CQSZACIVSA-N 0 0 384.457 3.188 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O ZINC000175769178 1427885898 /nfs/dbraw/zinc/88/58/98/1427885898.db2.gz WOGSDLYCMCKLNI-HXUWFJFHSA-N 0 0 390.443 3.124 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000175771405 1427887216 /nfs/dbraw/zinc/88/72/16/1427887216.db2.gz UAQWWHDXADFTEG-GOSISDBHSA-N 0 0 398.507 3.022 20 30 GGEDRN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000175778884 1427889560 /nfs/dbraw/zinc/88/95/60/1427889560.db2.gz NCEGKBIMKJKFFD-ORAYPTAESA-N 0 0 379.395 3.081 20 30 GGEDRN COC(=O)c1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)n(-c2ccccc2)n1 ZINC000175780038 1427889854 /nfs/dbraw/zinc/88/98/54/1427889854.db2.gz IIGXBUCEHZHKEC-AWEZNQCLSA-N 0 0 375.384 3.449 20 30 GGEDRN CCCNc1ccc(C#N)cc1NC(=O)CNC(=O)N1CCc2ccccc2C1 ZINC000175787757 1427893040 /nfs/dbraw/zinc/89/30/40/1427893040.db2.gz JADOUJNIJOZBDJ-UHFFFAOYSA-N 0 0 391.475 3.087 20 30 GGEDRN CCCNc1ccc(C#N)cc1NC(=O)c1cccc(N2CCNC2=O)c1C ZINC000175792739 1427894939 /nfs/dbraw/zinc/89/49/39/1427894939.db2.gz VCQYNFLXFMXYHT-UHFFFAOYSA-N 0 0 377.448 3.471 20 30 GGEDRN C[S@@](=O)c1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000175797456 1427896606 /nfs/dbraw/zinc/89/66/06/1427896606.db2.gz APRTVAXCXGDRQI-HHHXNRCGSA-N 0 0 383.473 3.371 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1cccc(OC(F)(F)F)c1 ZINC000175803249 1427898783 /nfs/dbraw/zinc/89/87/83/1427898783.db2.gz ILMPHDJAEZQGGN-JTQLQIEISA-N 0 0 395.312 3.412 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1cccc(OC(F)(F)F)c1 ZINC000175804493 1427899279 /nfs/dbraw/zinc/89/92/79/1427899279.db2.gz GIDWDTPJIMRSKN-LLVKDONJSA-N 0 0 377.322 3.273 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1cccc(OC(F)(F)F)c1 ZINC000175805232 1427899930 /nfs/dbraw/zinc/89/99/30/1427899930.db2.gz KSKTWCROJZWXTD-LLVKDONJSA-N 0 0 377.322 3.273 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000175807550 1427901501 /nfs/dbraw/zinc/90/15/01/1427901501.db2.gz WDAXZPDBDXOFPT-UHFFFAOYSA-N 0 0 390.468 3.288 20 30 GGEDRN C[C@@H](OC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(C#N)cc1 ZINC000175811479 1427903848 /nfs/dbraw/zinc/90/38/48/1427903848.db2.gz UODBSCAQVJSSBT-GFCCVEGCSA-N 0 0 379.384 3.401 20 30 GGEDRN Cc1c2ccccc2[nH]c(=O)c1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000175813987 1427906425 /nfs/dbraw/zinc/90/64/25/1427906425.db2.gz OLQUMHUNEVMSJV-HXUWFJFHSA-N 0 0 386.455 3.272 20 30 GGEDRN N#Cc1csc(C(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)c1 ZINC000175818354 1427909295 /nfs/dbraw/zinc/90/92/95/1427909295.db2.gz WGLZWMPYXNXXGD-UHFFFAOYSA-N 0 0 397.481 3.351 20 30 GGEDRN N#Cc1ccc(Oc2ccc(OC(=O)Cc3ccc(-n4cnnn4)cc3)cc2)cc1 ZINC000175821375 1427910951 /nfs/dbraw/zinc/91/09/51/1427910951.db2.gz BSKJZWJKUROVNL-UHFFFAOYSA-N 0 0 397.394 3.474 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(OC)c(F)c2)cc1 ZINC000175828325 1427915212 /nfs/dbraw/zinc/91/52/12/1427915212.db2.gz KZMCGLQMDQRPJD-UHFFFAOYSA-N 0 0 384.407 3.352 20 30 GGEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)Nc1ccc(Cl)cn1 ZINC000175829503 1427915519 /nfs/dbraw/zinc/91/55/19/1427915519.db2.gz AWFDABYNXCMWOW-UHFFFAOYSA-N 0 0 395.854 3.129 20 30 GGEDRN Cc1csc([C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C2CC2)n1 ZINC000175850359 1427931903 /nfs/dbraw/zinc/93/19/03/1427931903.db2.gz BPBQVISHEJXVTO-GOSISDBHSA-N 0 0 381.505 3.306 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000175864022 1427939958 /nfs/dbraw/zinc/93/99/58/1427939958.db2.gz NBPPNGSGRHOFGG-FQEVSTJZSA-N 0 0 384.501 3.279 20 30 GGEDRN Cc1cnc([C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C2CC2)s1 ZINC000175869274 1427942459 /nfs/dbraw/zinc/94/24/59/1427942459.db2.gz TXMKNWDPSVKPPY-GOSISDBHSA-N 0 0 399.495 3.445 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000175889476 1427953202 /nfs/dbraw/zinc/95/32/02/1427953202.db2.gz OTZZBKUNDUIEEY-UHFFFAOYSA-N 0 0 382.470 3.340 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000175888691 1427953253 /nfs/dbraw/zinc/95/32/53/1427953253.db2.gz NGUIPDSLQGHYHI-UHFFFAOYSA-N 0 0 382.470 3.340 20 30 GGEDRN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCOC[C@@H]3C#N)cc12 ZINC000175890140 1427954250 /nfs/dbraw/zinc/95/42/50/1427954250.db2.gz HVLWDFPHSGUUNQ-AWEZNQCLSA-N 0 0 386.864 3.413 20 30 GGEDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(CCC#N)c2ccc(F)cc2)c1F ZINC000175893585 1427955752 /nfs/dbraw/zinc/95/57/52/1427955752.db2.gz ZIRYNNGJFQNOJE-UHFFFAOYSA-N 0 0 381.360 3.290 20 30 GGEDRN C=CCN(Cc1nc(Cc2ccccc2C)no1)S(=O)(=O)c1cccs1 ZINC000175901462 1427960659 /nfs/dbraw/zinc/96/06/59/1427960659.db2.gz OCQPHFDYZQHODD-UHFFFAOYSA-N 0 0 389.502 3.407 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)NC(C3CC3)C3CC3)c(C#N)c2N)cc1 ZINC000175912986 1427967536 /nfs/dbraw/zinc/96/75/36/1427967536.db2.gz VTBREYDLJAZGRL-UHFFFAOYSA-N 0 0 392.507 3.055 20 30 GGEDRN O=C(C#Cc1ccccc1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000175939010 1427984646 /nfs/dbraw/zinc/98/46/46/1427984646.db2.gz BFVIJWZGXKXGJP-UHFFFAOYSA-N 0 0 385.261 3.276 20 30 GGEDRN CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1nc2ccccc2[nH]1 ZINC000175938902 1427985032 /nfs/dbraw/zinc/98/50/32/1427985032.db2.gz MNAVBKMCMDMYKQ-QGZVFWFLSA-N 0 0 379.395 3.026 20 30 GGEDRN COc1ccc2cc(CNC(=O)C(=O)Nc3ccc(F)cc3C#N)ccc2c1 ZINC000175944999 1427988224 /nfs/dbraw/zinc/98/82/24/1427988224.db2.gz JUKWORQJFITJHP-UHFFFAOYSA-N 0 0 377.375 3.114 20 30 GGEDRN COc1ccc(CNC(=O)[C@H](C#N)C(=O)C[C@H](C)c2cccc(OC)c2)cc1 ZINC000175946875 1427988955 /nfs/dbraw/zinc/98/89/55/1427988955.db2.gz JULVBZNHNSAUJP-MGPUTAFESA-N 0 0 380.444 3.223 20 30 GGEDRN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)C[C@H](C)c2cccc(OC)c2)cc1 ZINC000175946746 1427988985 /nfs/dbraw/zinc/98/89/85/1427988985.db2.gz KXTWIZCYGBOTJO-KKSFZXQISA-N 0 0 394.471 3.265 20 30 GGEDRN N#CCSc1cccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 ZINC000175948071 1427989867 /nfs/dbraw/zinc/98/98/67/1427989867.db2.gz ZSPUXERZASCTQW-LJQANCHMSA-N 0 0 376.485 3.152 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1cccc(OC(F)F)c1 ZINC000175949369 1427991492 /nfs/dbraw/zinc/99/14/92/1427991492.db2.gz WOSAFRNQSBZUFR-SNVBAGLBSA-N 0 0 377.322 3.115 20 30 GGEDRN C[C@@H](N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C1(C)CC1 ZINC000175951976 1427992961 /nfs/dbraw/zinc/99/29/61/1427992961.db2.gz BDIQQWDDZPNLLL-GICLCMKGSA-N 0 0 392.525 3.152 20 30 GGEDRN C[C@H](N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C1(C)CC1 ZINC000175951958 1427993268 /nfs/dbraw/zinc/99/32/68/1427993268.db2.gz BDIQQWDDZPNLLL-NNLSSIJJSA-N 0 0 392.525 3.152 20 30 GGEDRN CC(C)OC(=O)C[C@@H](NC(=O)C#Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000175953808 1427994924 /nfs/dbraw/zinc/99/49/24/1427994924.db2.gz MLLFHZBBDZMODN-GOSISDBHSA-N 0 0 380.400 3.146 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000175957975 1427997325 /nfs/dbraw/zinc/99/73/25/1427997325.db2.gz CLABWLDUYUDGGT-OAQYLSRUSA-N 0 0 398.528 3.056 20 30 GGEDRN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000175959815 1427998810 /nfs/dbraw/zinc/99/88/10/1427998810.db2.gz PAUIWSYEQJAAEO-CYBMUJFWSA-N 0 0 392.390 3.183 20 30 GGEDRN N#Cc1ccc(Cl)cc1NC(=O)Cn1nnnc1CCCc1ccccc1 ZINC000175960962 1427999831 /nfs/dbraw/zinc/99/98/31/1427999831.db2.gz QUBKYNLQIJRXIK-UHFFFAOYSA-N 0 0 380.839 3.012 20 30 GGEDRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175960680 1427999911 /nfs/dbraw/zinc/99/99/11/1427999911.db2.gz UKUUZNHYTOKGJY-UHFFFAOYSA-N 0 0 395.312 3.193 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2c[nH]nc2-c2cccc(Cl)c2)c1 ZINC000175967058 1428003057 /nfs/dbraw/zinc/00/30/57/1428003057.db2.gz LJNMIMYLQJFDGO-UHFFFAOYSA-N 0 0 392.846 3.422 20 30 GGEDRN Cc1cc(Cl)ccc1OCCCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175969242 1428004277 /nfs/dbraw/zinc/00/42/77/1428004277.db2.gz PNKVVIYDSCKVFM-UHFFFAOYSA-N 0 0 389.814 3.183 20 30 GGEDRN CN(Cc1cscn1)C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000175969262 1428004624 /nfs/dbraw/zinc/00/46/24/1428004624.db2.gz OLDVNFVSLSRKMG-UHFFFAOYSA-N 0 0 375.453 3.140 20 30 GGEDRN COC(C)(C)C[C@H](C)NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000175974362 1428006561 /nfs/dbraw/zinc/00/65/61/1428006561.db2.gz QNXHMAPVEZEOQQ-INIZCTEOSA-N 0 0 395.507 3.142 20 30 GGEDRN COC(C)(C)C[C@@H](C)NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000175974378 1428006678 /nfs/dbraw/zinc/00/66/78/1428006678.db2.gz QNXHMAPVEZEOQQ-MRXNPFEDSA-N 0 0 395.507 3.142 20 30 GGEDRN COc1cccc(C2CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)CC2)c1 ZINC000175973755 1428006793 /nfs/dbraw/zinc/00/67/93/1428006793.db2.gz QIUINXHCAXPLPX-UHFFFAOYSA-N 0 0 381.407 3.051 20 30 GGEDRN C=CCN(CC1CCCCC1)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000175980104 1428010459 /nfs/dbraw/zinc/01/04/59/1428010459.db2.gz FMGAMVAUOMSHJK-SFHVURJKSA-N 0 0 383.492 3.492 20 30 GGEDRN C=CCN(CC1CCCCC1)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000175980094 1428010762 /nfs/dbraw/zinc/01/07/62/1428010762.db2.gz FMGAMVAUOMSHJK-GOSISDBHSA-N 0 0 383.492 3.492 20 30 GGEDRN COc1ccc(NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c(C)c1 ZINC000175980344 1428011000 /nfs/dbraw/zinc/01/10/00/1428011000.db2.gz QMSSASMMGUNUFN-UHFFFAOYSA-N 0 0 380.448 3.480 20 30 GGEDRN CC(C)C[C@H](C)Oc1cc(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)ccn1 ZINC000175981897 1428011331 /nfs/dbraw/zinc/01/13/31/1428011331.db2.gz AOQIOBIMIQJGKJ-AWEZNQCLSA-N 0 0 398.438 3.161 20 30 GGEDRN CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(F)cc3C#N)cc2)CC1 ZINC000175981172 1428011770 /nfs/dbraw/zinc/01/17/70/1428011770.db2.gz DSBAGJOVDMLPNT-UHFFFAOYSA-N 0 0 394.450 3.189 20 30 GGEDRN CC[C@@H](C#N)OC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000175989113 1428015107 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395.478 3.337 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)c3ccc(C)cc3F)c(C#N)c2N)cc1 ZINC000175990705 1428016761 /nfs/dbraw/zinc/01/67/61/1428016761.db2.gz RHBCFUFTDCOIGX-UHFFFAOYSA-N 0 0 391.450 3.445 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 ZINC000175994204 1428018408 /nfs/dbraw/zinc/01/84/08/1428018408.db2.gz DILQFTKTCXNNLZ-UHFFFAOYSA-N 0 0 380.839 3.433 20 30 GGEDRN N#CCSc1cccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 ZINC000175996263 1428018840 /nfs/dbraw/zinc/01/88/40/1428018840.db2.gz WQKSOCUHYPMTPG-QGZVFWFLSA-N 0 0 385.876 3.491 20 30 GGEDRN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000176001593 1428021950 /nfs/dbraw/zinc/02/19/50/1428021950.db2.gz ZYYIEGMFZQAHBP-CQSZACIVSA-N 0 0 383.448 3.277 20 30 GGEDRN CC[C@@H](C#N)OC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000176006061 1428023370 /nfs/dbraw/zinc/02/33/70/1428023370.db2.gz BNBCGFFLYPWHJL-SFHVURJKSA-N 0 0 386.473 3.426 20 30 GGEDRN COc1ccccc1C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)C(C)C ZINC000176006441 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OGHCWVILWWKCAE-CYBMUJFWSA-N 0 0 379.888 3.279 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)NCCC)c(Cl)c1 ZINC000180928955 1430120136 /nfs/dbraw/zinc/12/01/36/1430120136.db2.gz OGHCWVILWWKCAE-ZDUSSCGKSA-N 0 0 379.888 3.279 20 30 GGEDRN N#Cc1cccc(OCCCCC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000180943835 1430127841 /nfs/dbraw/zinc/12/78/41/1430127841.db2.gz OZHINALGKLENDJ-LJQANCHMSA-N 0 0 391.471 3.308 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000180946722 1430129272 /nfs/dbraw/zinc/12/92/72/1430129272.db2.gz DZNFOVLKSKWMQO-NSHDSACASA-N 0 0 385.386 3.463 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000180949959 1430131099 /nfs/dbraw/zinc/13/10/99/1430131099.db2.gz SFKXMMCLEMLBPL-LBPRGKRZSA-N 0 0 395.385 3.086 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1c(C)cnn1Cc1cc(F)ccc1F ZINC000180956619 1430134905 /nfs/dbraw/zinc/13/49/05/1430134905.db2.gz RVODDMSYVWOLGQ-CQSZACIVSA-N 0 0 390.434 3.318 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000180958109 1430135481 /nfs/dbraw/zinc/13/54/81/1430135481.db2.gz KJHOOWUMEHNKCB-PKOBYXMFSA-N 0 0 398.459 3.288 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000180960200 1430136695 /nfs/dbraw/zinc/13/66/95/1430136695.db2.gz ZVMVXZWKJZXMCJ-QGZVFWFLSA-N 0 0 393.487 3.416 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000180961978 1430137791 /nfs/dbraw/zinc/13/77/91/1430137791.db2.gz WCCQZGSFIFIXHC-ZDUSSCGKSA-N 0 0 377.872 3.266 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000180961204 1430138019 /nfs/dbraw/zinc/13/80/19/1430138019.db2.gz JGMJOPUHYIEQBC-OKZBNKHCSA-N 0 0 387.524 3.095 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C ZINC000180976368 1430147516 /nfs/dbraw/zinc/14/75/16/1430147516.db2.gz ZNRJBTNOWRWFBF-ZDUSSCGKSA-N 0 0 399.413 3.087 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC000180977409 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ZINC000181060741 1430192503 /nfs/dbraw/zinc/19/25/03/1430192503.db2.gz LRJDMDGJDYGLJK-INIZCTEOSA-N 0 0 379.807 3.296 20 30 GGEDRN COCc1nnc(-c2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)c2)o1 ZINC000181097536 1430208301 /nfs/dbraw/zinc/20/83/01/1430208301.db2.gz CVFHKRLYPHGRRO-OAHLLOKOSA-N 0 0 387.399 3.260 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000181095585 1430208690 /nfs/dbraw/zinc/20/86/90/1430208690.db2.gz QWZBKGYYZMFHQA-UHFFFAOYSA-N 0 0 383.358 3.242 20 30 GGEDRN CCCNc1ccc(C#N)cc1NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000181120690 1430217074 /nfs/dbraw/zinc/21/70/74/1430217074.db2.gz AHVJVFYLLMKHAQ-MSOLQXFVSA-N 0 0 396.472 3.023 20 30 GGEDRN N#CCc1ccc(OC[C@H](O)CSc2nnc(Cc3ccccc3F)o2)cc1 ZINC000181146377 1430226190 /nfs/dbraw/zinc/22/61/90/1430226190.db2.gz MDWZLVTTYSMCNE-INIZCTEOSA-N 0 0 399.447 3.398 20 30 GGEDRN CCCCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000181162782 1430233258 /nfs/dbraw/zinc/23/32/58/1430233258.db2.gz BWABROCLWHTVDF-QGZVFWFLSA-N 0 0 377.510 3.309 20 30 GGEDRN CCn1nc(C)c(NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1C ZINC000181172103 1430236356 /nfs/dbraw/zinc/23/63/56/1430236356.db2.gz MWNQNFYWKYYPDQ-LBPRGKRZSA-N 0 0 385.493 3.349 20 30 GGEDRN CCn1nc(C)c(NC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)c1C ZINC000181178154 1430239131 /nfs/dbraw/zinc/23/91/31/1430239131.db2.gz AWLIZEVSPODKLR-UHFFFAOYSA-N 0 0 386.455 3.497 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000181191743 1430243735 /nfs/dbraw/zinc/24/37/35/1430243735.db2.gz VTGSJSLQALVXBV-HXUWFJFHSA-N 0 0 394.471 3.196 20 30 GGEDRN N#Cc1cccc(-c2csc(NC(=O)C(=O)N[C@H]3CC34CCCCC4)n2)c1 ZINC000181192620 1430244303 /nfs/dbraw/zinc/24/43/03/1430244303.db2.gz LHPUNBFGLRTTGV-INIZCTEOSA-N 0 0 380.473 3.459 20 30 GGEDRN N#Cc1cc(C(=O)N(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c[nH]1 ZINC000181192934 1430244415 /nfs/dbraw/zinc/24/44/15/1430244415.db2.gz WNYCVUJCMYCNPS-UHFFFAOYSA-N 0 0 388.427 3.214 20 30 GGEDRN 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30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@@H](C)c1nccs1 ZINC000182241373 1430435641 /nfs/dbraw/zinc/43/56/41/1430435641.db2.gz JKFUCUHKOLGKCM-CYBMUJFWSA-N 0 0 386.477 3.003 20 30 GGEDRN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000182250333 1430436991 /nfs/dbraw/zinc/43/69/91/1430436991.db2.gz UABHITRAKDRGDZ-NSHDSACASA-N 0 0 393.340 3.402 20 30 GGEDRN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000182250350 1430437012 /nfs/dbraw/zinc/43/70/12/1430437012.db2.gz UABHITRAKDRGDZ-LLVKDONJSA-N 0 0 393.340 3.402 20 30 GGEDRN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000182250474 1430437025 /nfs/dbraw/zinc/43/70/25/1430437025.db2.gz LMJLRUYNBVGKFX-LLVKDONJSA-N 0 0 393.340 3.402 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000182251858 1430437359 /nfs/dbraw/zinc/43/73/59/1430437359.db2.gz SQAPKHZJIAYZSI-DOTOQJQBSA-N 0 0 389.500 3.077 20 30 GGEDRN N#Cc1cccc(CNC(=O)NCCCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000182264108 1430439727 /nfs/dbraw/zinc/43/97/27/1430439727.db2.gz PJKSTAYRZOQSRE-UHFFFAOYSA-N 0 0 379.395 3.179 20 30 GGEDRN Cn1cc(/C=C2\S/C(=N/C3CCCC3)NC2=O)c(-c2ccc(C#N)cc2)n1 ZINC000182275350 1430441533 /nfs/dbraw/zinc/44/15/33/1430441533.db2.gz PFLKFCCSZKFQCZ-YVLHZVERSA-N 0 0 377.473 3.461 20 30 GGEDRN N#Cc1ccc(OC[C@H](O)COc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000182280107 1430441788 /nfs/dbraw/zinc/44/17/88/1430441788.db2.gz MYXPORMPGNQGOX-GFCCVEGCSA-N 0 0 382.294 3.304 20 30 GGEDRN Cc1cc2c(cc1F)ncn(CC(=O)Nc1ccccc1SCC#N)c2=O ZINC000182286026 1430442656 /nfs/dbraw/zinc/44/26/56/1430442656.db2.gz JMUHKAALMIFZRN-UHFFFAOYSA-N 0 0 382.420 3.098 20 30 GGEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182286250 1430442837 /nfs/dbraw/zinc/44/28/37/1430442837.db2.gz WHLTVYCOJYBNBL-UHFFFAOYSA-N 0 0 392.289 3.124 20 30 GGEDRN Cn1cc(/C=C/C(=O)c2cn(-c3ccccc3)nn2)c(-c2ccc(C#N)cc2)n1 ZINC000182294354 1430444130 /nfs/dbraw/zinc/44/41/30/1430444130.db2.gz FCNLRAITAIMSGM-VAWYXSNFSA-N 0 0 380.411 3.436 20 30 GGEDRN Cc1ccc([C@H](C)NC(=O)CON=C(N)c2ccc(NC(C)(C)C)cn2)cc1C ZINC000182301582 1430445127 /nfs/dbraw/zinc/44/51/27/1430445127.db2.gz XLIIIWDDYKNUFR-INIZCTEOSA-N 0 0 397.523 3.423 20 30 GGEDRN Cc1ccc([C@@H](C)NC(=O)CON=C(N)c2ccc(NC(C)(C)C)cn2)cc1C ZINC000182301566 1430445132 /nfs/dbraw/zinc/44/51/32/1430445132.db2.gz XLIIIWDDYKNUFR-MRXNPFEDSA-N 0 0 397.523 3.423 20 30 GGEDRN CC[C@@H](C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)N1CCCC1=O ZINC000182321466 1430448233 /nfs/dbraw/zinc/44/82/33/1430448233.db2.gz PBISVFSDGMDFGG-RTWAWAEBSA-N 0 0 391.471 3.347 20 30 GGEDRN Cn1cc(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)c(-c2ccccc2)n1 ZINC000182327840 1430449073 /nfs/dbraw/zinc/44/90/73/1430449073.db2.gz OHPFWWKWHMWJEG-UHFFFAOYSA-N 0 0 386.864 3.091 20 30 GGEDRN Cc1ncc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(C)n1 ZINC000182344085 1430451348 /nfs/dbraw/zinc/45/13/48/1430451348.db2.gz FFGKYACUSYKQDI-UHFFFAOYSA-N 0 0 382.474 3.361 20 30 GGEDRN C=CCNC(=O)CNC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC000182364777 1430453690 /nfs/dbraw/zinc/45/36/90/1430453690.db2.gz AFLYBIBKIKPLJX-UHFFFAOYSA-N 0 0 386.839 3.016 20 30 GGEDRN C=CCn1c(COc2ccccc2F)nnc1SCc1nc(COC)no1 ZINC000182367284 1430454145 /nfs/dbraw/zinc/45/41/45/1430454145.db2.gz HPUYHIIUJPIJRK-UHFFFAOYSA-N 0 0 391.428 3.004 20 30 GGEDRN N#CCCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000182370597 1430454338 /nfs/dbraw/zinc/45/43/38/1430454338.db2.gz AFFODYJERXLHMU-UHFFFAOYSA-N 0 0 385.367 3.132 20 30 GGEDRN COc1cccc2c1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C2 ZINC000182375750 1430455148 /nfs/dbraw/zinc/45/51/48/1430455148.db2.gz LIQURKMCVLGPJS-UHFFFAOYSA-N 0 0 396.390 3.333 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182387196 1430457396 /nfs/dbraw/zinc/45/73/96/1430457396.db2.gz XOFSOERWBQSLAI-CQSZACIVSA-N 0 0 398.410 3.108 20 30 GGEDRN CN(C(=O)c1cccc(COc2ccccc2C#N)c1)C1(C(N)=O)CCCC1 ZINC000182401371 1430460876 /nfs/dbraw/zinc/46/08/76/1430460876.db2.gz LIJTWGFQPVPWKC-UHFFFAOYSA-N 0 0 377.444 3.007 20 30 GGEDRN Cc1cc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)ccc1[N+](=O)[O-] ZINC000182427555 1430466047 /nfs/dbraw/zinc/46/60/47/1430466047.db2.gz GMGCRNAICKBNNQ-UHFFFAOYSA-N 0 0 378.392 3.006 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000182437182 1430467717 /nfs/dbraw/zinc/46/77/17/1430467717.db2.gz GZOXWLZXUQFAHO-QUCCMNQESA-N 0 0 399.878 3.096 20 30 GGEDRN COCc1nc(CNc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)no1 ZINC000182458608 1430471365 /nfs/dbraw/zinc/47/13/65/1430471365.db2.gz QUBLETDIOJYVRH-UHFFFAOYSA-N 0 0 377.400 3.015 20 30 GGEDRN COC(=O)[C@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cccc(C#N)c1 ZINC000182465085 1430472149 /nfs/dbraw/zinc/47/21/49/1430472149.db2.gz HWWNKNGCDJAGOZ-DNVCBOLYSA-N 0 0 387.842 3.433 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCC2(CCO)CCCCC2)cc1C(F)(F)F ZINC000182490748 1430476584 /nfs/dbraw/zinc/47/65/84/1430476584.db2.gz TYSUKNOZOINNRL-UHFFFAOYSA-N 0 0 390.427 3.188 20 30 GGEDRN Cc1ccc2[nH]c([C@@H]3CCCN(S(=O)(=O)Cc4cccc(C#N)c4)C3)nc2c1 ZINC000182494665 1430477511 /nfs/dbraw/zinc/47/75/11/1430477511.db2.gz KHGPCOOQYCRNJZ-GOSISDBHSA-N 0 0 394.500 3.452 20 30 GGEDRN Cc1ccc2[nH]c([C@@H]3CCCN(S(=O)(=O)c4ccccc4C#N)C3)nc2c1 ZINC000182497023 1430477984 /nfs/dbraw/zinc/47/79/84/1430477984.db2.gz LEKUKQLFDDHOTL-MRXNPFEDSA-N 0 0 380.473 3.311 20 30 GGEDRN CC[C@](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)(C(N)=O)C(C)C ZINC000182519898 1430482498 /nfs/dbraw/zinc/48/24/98/1430482498.db2.gz ZEHJXCINEYXRMB-JOCHJYFZSA-N 0 0 379.460 3.157 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NCC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000182552880 1430490178 /nfs/dbraw/zinc/49/01/78/1430490178.db2.gz PKHNRFJHQYCRKI-AWEZNQCLSA-N 0 0 389.402 3.350 20 30 GGEDRN CCN(CC)C(=O)CCC1CCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000182574556 1430495558 /nfs/dbraw/zinc/49/55/58/1430495558.db2.gz WFAUTVFVWOUPIJ-QGZVFWFLSA-N 0 0 384.524 3.246 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NCC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000182579088 1430496815 /nfs/dbraw/zinc/49/68/15/1430496815.db2.gz CGTJFERJDHRTRQ-HNNXBMFYSA-N 0 0 378.432 3.155 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NCc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000182587180 1430497805 /nfs/dbraw/zinc/49/78/05/1430497805.db2.gz KOFIZRVRSNNBAO-LBPRGKRZSA-N 0 0 386.362 3.167 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000182587316 1430498084 /nfs/dbraw/zinc/49/80/84/1430498084.db2.gz XXZUYYNSOWABSN-HOTGVXAUSA-N 0 0 382.501 3.087 20 30 GGEDRN CC(C)NC(=O)c1ccccc1NC(=O)CNc1ccccc1O[C@@H](C)C#N ZINC000182593912 1430499374 /nfs/dbraw/zinc/49/93/74/1430499374.db2.gz MGWVDIWEPUUORC-HNNXBMFYSA-N 0 0 380.448 3.166 20 30 GGEDRN C=CCn1c(SCC(=O)N[C@H](CO)C(C)C)nnc1-c1ccc(Cl)cc1 ZINC000182607163 1430501524 /nfs/dbraw/zinc/50/15/24/1430501524.db2.gz HOGLYKAHYIXWGG-OAHLLOKOSA-N 0 0 394.928 3.010 20 30 GGEDRN Cc1nn(-c2ccccc2)cc1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000182611203 1430502297 /nfs/dbraw/zinc/50/22/97/1430502297.db2.gz UMLQNVOJFBQRKU-UHFFFAOYSA-N 0 0 383.415 3.073 20 30 GGEDRN C[C@@H](C[S@](C)=O)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000182618356 1430503248 /nfs/dbraw/zinc/50/32/48/1430503248.db2.gz ROSGMCTXKKYFGN-QZXCRCNTSA-N 0 0 387.480 3.176 20 30 GGEDRN C=C(C)CN(C)Cn1nc(-c2cnccn2)n(-c2ccc(OC)cc2)c1=S ZINC000182624873 1430504594 /nfs/dbraw/zinc/50/45/94/1430504594.db2.gz KYVPTCROPXJKEG-UHFFFAOYSA-N 0 0 382.493 3.334 20 30 GGEDRN CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2cccc(C#N)c2)c2ccccc12 ZINC000182627818 1430505176 /nfs/dbraw/zinc/50/51/76/1430505176.db2.gz WKVKTMVZSSCSTP-UHFFFAOYSA-N 0 0 393.468 3.491 20 30 GGEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2nc3cc(Cl)ccc3o2)CC1 ZINC000182633872 1430506649 /nfs/dbraw/zinc/50/66/49/1430506649.db2.gz XOLSVCQIDDJYFC-OAHLLOKOSA-N 0 0 392.912 3.266 20 30 GGEDRN Cc1cccc(C)c1NC(=O)CN(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182642780 1430508392 /nfs/dbraw/zinc/50/83/92/1430508392.db2.gz IEZFZPXGFAGBBT-FQEVSTJZSA-N 0 0 390.487 3.241 20 30 GGEDRN C=CCn1c2ncn(Cc3cc(C(=O)OC)ccc3F)c(=O)c2sc1=S ZINC000182680285 1430515782 /nfs/dbraw/zinc/51/57/82/1430515782.db2.gz FHBMOALXNWTKSR-UHFFFAOYSA-N 0 0 391.449 3.149 20 30 GGEDRN Cc1nnc(SCC(=O)Nc2ccc(N3CCCCC3)nc2)c(C#N)c1C ZINC000182694553 1430519240 /nfs/dbraw/zinc/51/92/40/1430519240.db2.gz OZRPPRILEOHFBJ-UHFFFAOYSA-N 0 0 382.493 3.081 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1nnc2ccccn21 ZINC000182695938 1430520109 /nfs/dbraw/zinc/52/01/09/1430520109.db2.gz AWKKLJKKCUAJJD-HUUCEWRRSA-N 0 0 394.504 3.270 20 30 GGEDRN Cc1cc(NC(=O)CSc2nnc(C)c(C)c2C#N)n(-c2ccc(C)cc2)n1 ZINC000182705364 1430522717 /nfs/dbraw/zinc/52/27/17/1430522717.db2.gz YXILMSGCLWWSQQ-UHFFFAOYSA-N 0 0 392.488 3.498 20 30 GGEDRN CCCOCc1ccccc1CNC(=O)CSc1nnc(C)c(C)c1C#N ZINC000182706437 1430522866 /nfs/dbraw/zinc/52/28/66/1430522866.db2.gz AHVVMIIGNTUHRM-UHFFFAOYSA-N 0 0 384.505 3.300 20 30 GGEDRN Cc1nnc(SCc2nnnn2-c2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000182706590 1430523086 /nfs/dbraw/zinc/52/30/86/1430523086.db2.gz WOOKTEQNRUWQEK-UHFFFAOYSA-N 0 0 391.382 3.252 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000182710319 1430524182 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COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C)n(-c2ccc(F)cc2)n1 ZINC000182812630 1430545028 /nfs/dbraw/zinc/54/50/28/1430545028.db2.gz OOBNPKRSAAVIHI-UHFFFAOYSA-N 0 0 392.434 3.480 20 30 GGEDRN C=CCN(C(=O)Nc1ccc(-c2csc(C)n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000182848011 1430553285 /nfs/dbraw/zinc/55/32/85/1430553285.db2.gz MEKSKZJCHTZQAF-MRXNPFEDSA-N 0 0 391.518 3.326 20 30 GGEDRN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182853886 1430554098 /nfs/dbraw/zinc/55/40/98/1430554098.db2.gz XBUZEQQVLDIEPP-ZFWWWQNUSA-N 0 0 391.397 3.438 20 30 GGEDRN CC(C)(C)OC(=O)NC1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182859292 1430555199 /nfs/dbraw/zinc/55/51/99/1430555199.db2.gz XANPSRFEDWNHCY-LJQANCHMSA-N 0 0 398.507 3.043 20 30 GGEDRN C=CCn1nnnc1S[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000182866904 1430556825 /nfs/dbraw/zinc/55/68/25/1430556825.db2.gz WEBGLBIJECNZED-AWEZNQCLSA-N 0 0 397.426 3.161 20 30 GGEDRN COc1cccc([C@@H]2[C@H](C(=O)Nc3ccc(C#N)cc3)CC(=O)N2C2CC2)c1 ZINC000182877050 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GGEDRN CNC(=O)C1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000185133029 1431069306 /nfs/dbraw/zinc/06/93/06/1431069306.db2.gz ZFSNORVNBNQGPO-QGZVFWFLSA-N 0 0 382.851 3.205 20 30 GGEDRN N#C[C@@]1(NS(=O)(=O)c2ccccc2OC(F)(F)F)CCc2ccccc2C1 ZINC000185143659 1431071624 /nfs/dbraw/zinc/07/16/24/1431071624.db2.gz KEHYENKAQYKCON-QGZVFWFLSA-N 0 0 396.390 3.315 20 30 GGEDRN N#C[C@]1(NS(=O)(=O)c2cccc(C(F)(F)F)c2)CCc2ccccc2C1 ZINC000185144019 1431071662 /nfs/dbraw/zinc/07/16/62/1431071662.db2.gz JMCRGIWUCJAWNO-KRWDZBQOSA-N 0 0 380.391 3.435 20 30 GGEDRN N#C[C@]1(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)CCc2ccccc2C1 ZINC000185150025 1431072698 /nfs/dbraw/zinc/07/26/98/1431072698.db2.gz ZNDMNYZNORSYDQ-KRWDZBQOSA-N 0 0 396.390 3.315 20 30 GGEDRN COc1ccccc1[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)OC(C)C ZINC000185188484 1431080498 /nfs/dbraw/zinc/08/04/98/1431080498.db2.gz SILSBGQWDSQBPL-FQEVSTJZSA-N 0 0 388.489 3.153 20 30 GGEDRN CN(Cc1nc(-c2ccccc2)c[nH]1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185211464 1431086285 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GGEDRN CCOc1cc(NC2CCN(C(=O)Nc3cc(C#N)ccc3C)CC2)ncn1 ZINC000185282364 1431099514 /nfs/dbraw/zinc/09/95/14/1431099514.db2.gz SIRNHQATCWROMY-UHFFFAOYSA-N 0 0 380.452 3.164 20 30 GGEDRN C#C[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC ZINC000185301817 1431105213 /nfs/dbraw/zinc/10/52/13/1431105213.db2.gz OUMFIVVPGPPUCI-OAHLLOKOSA-N 0 0 375.428 3.308 20 30 GGEDRN CC#CCCCC(=O)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 ZINC000185306404 1431107360 /nfs/dbraw/zinc/10/73/60/1431107360.db2.gz WYBPAYZDOAEVFW-UHFFFAOYSA-N 0 0 391.518 3.213 20 30 GGEDRN C#C[C@H](C)NC(=O)CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000185310891 1431109008 /nfs/dbraw/zinc/10/90/08/1431109008.db2.gz JLBXWOVJNGFMIK-LBPRGKRZSA-N 0 0 383.498 3.023 20 30 GGEDRN C#C[C@@H](C)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 ZINC000185310601 1431109337 /nfs/dbraw/zinc/10/93/37/1431109337.db2.gz LRPWLYSHMYKLKW-CYBMUJFWSA-N 0 0 398.438 3.443 20 30 GGEDRN N#CCOc1ccc(CNC(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000185333208 1431116933 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386.452 3.261 20 30 GGEDRN C[C@@H](N[C@@H](C)c1nc(Cc2ccccc2)no1)C(=O)Nc1ccccc1C#N ZINC000185363494 1431127024 /nfs/dbraw/zinc/12/70/24/1431127024.db2.gz DSLRRNWWWGKHFU-CABCVRRESA-N 0 0 375.432 3.210 20 30 GGEDRN C#C[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000185372309 1431128396 /nfs/dbraw/zinc/12/83/96/1431128396.db2.gz LBVFCUWLDWOXOA-OAHLLOKOSA-N 0 0 375.428 3.308 20 30 GGEDRN C#CCC(C)(C)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000185376084 1431129582 /nfs/dbraw/zinc/12/95/82/1431129582.db2.gz RIENTLSSKXJQMA-QGZVFWFLSA-N 0 0 382.426 3.244 20 30 GGEDRN Cc1oc2ccc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)cc2c1C ZINC000185382463 1431131818 /nfs/dbraw/zinc/13/18/18/1431131818.db2.gz QUIWHVOLUZSHHM-CYBMUJFWSA-N 0 0 397.456 3.227 20 30 GGEDRN C[C@@H](N[C@@H](C)c1nc(Cc2ccccc2)no1)C(=O)NC1(C#N)CCCCC1 ZINC000185383987 1431132087 /nfs/dbraw/zinc/13/20/87/1431132087.db2.gz GWTGKXJSIQHUKB-CVEARBPZSA-N 0 0 381.480 3.042 20 30 GGEDRN Cc1oc(NC(=O)CN[C@@H](C)c2nc(Cc3ccccc3)no2)c(C#N)c1C ZINC000185386037 1431133096 /nfs/dbraw/zinc/13/30/96/1431133096.db2.gz XVWDAJPCFWNSBZ-ZDUSSCGKSA-N 0 0 379.420 3.031 20 30 GGEDRN C[C@@]1(c2cc(F)cc(F)c2)NC(=O)N(Cc2ccc(Cl)cc2C#N)C1=O ZINC000185386203 1431133220 /nfs/dbraw/zinc/13/32/20/1431133220.db2.gz ZSOHSGMFNYMPMM-SFHVURJKSA-N 0 0 375.762 3.457 20 30 GGEDRN C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(Cc2ccccc2)no1 ZINC000185387743 1431133530 /nfs/dbraw/zinc/13/35/30/1431133530.db2.gz WMQYQIQSZUQZDL-CYBMUJFWSA-N 0 0 395.850 3.475 20 30 GGEDRN C[C@@H](N[C@H](C)c1nc(Cc2ccccc2)no1)C(=O)Nc1cccc(C#N)c1 ZINC000185410550 1431138276 /nfs/dbraw/zinc/13/82/76/1431138276.db2.gz NXPPHYUITGXJKF-HUUCEWRRSA-N 0 0 375.432 3.210 20 30 GGEDRN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1nc(Cc2ccccc2)no1 ZINC000185416654 1431140836 /nfs/dbraw/zinc/14/08/36/1431140836.db2.gz BEIZTXTYMNDMGT-OAHLLOKOSA-N 0 0 375.432 3.211 20 30 GGEDRN C[C@@H](N[C@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000185424352 1431142659 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C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(OC)nc1C)c1ccc(F)c(F)c1 ZINC000185784774 1431235336 /nfs/dbraw/zinc/23/53/36/1431235336.db2.gz QPGJSBJATPLBCN-QGZVFWFLSA-N 0 0 375.375 3.049 20 30 GGEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000185788014 1431236080 /nfs/dbraw/zinc/23/60/80/1431236080.db2.gz BWWBIYCGNCKKPI-INIZCTEOSA-N 0 0 375.331 3.245 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN([C@@H](C)c2nccs2)CC1 ZINC000185788971 1431236297 /nfs/dbraw/zinc/23/62/97/1431236297.db2.gz LMAVLYDIIIEJSQ-CABCVRRESA-N 0 0 385.493 3.345 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN([C@H](C)c2nccs2)CC1 ZINC000185789014 1431236389 /nfs/dbraw/zinc/23/63/89/1431236389.db2.gz LMAVLYDIIIEJSQ-HUUCEWRRSA-N 0 0 385.493 3.345 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000185797408 1431238487 /nfs/dbraw/zinc/23/84/87/1431238487.db2.gz UDEJBDLWNLNEBK-INIZCTEOSA-N 0 0 388.514 3.370 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000185804814 1431240671 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392.427 3.410 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000185842043 1431248945 /nfs/dbraw/zinc/24/89/45/1431248945.db2.gz JGOMLNSTFIPSLG-HNNXBMFYSA-N 0 0 385.489 3.207 20 30 GGEDRN C=CCN(Cc1ccccc1F)C(=O)NCc1nc(COc2ccccc2)n[nH]1 ZINC000185877833 1431259994 /nfs/dbraw/zinc/25/99/94/1431259994.db2.gz KIESZLZFFFWRLA-UHFFFAOYSA-N 0 0 395.438 3.421 20 30 GGEDRN C=CCOc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)cc1 ZINC000185878652 1431260815 /nfs/dbraw/zinc/26/08/15/1431260815.db2.gz AYBFVHAVBJXJJC-FQEVSTJZSA-N 0 0 378.428 3.247 20 30 GGEDRN Cc1cn(-c2ccccc2)nc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000185884944 1431263300 /nfs/dbraw/zinc/26/33/00/1431263300.db2.gz AERPXUQULZACSD-NRFANRHFSA-N 0 0 385.471 3.031 20 30 GGEDRN CCOc1ccc(C2=CCN(S(=O)(=O)c3ccc(C#N)cc3OC)CC2)cc1 ZINC000185886740 1431263709 /nfs/dbraw/zinc/26/37/09/1431263709.db2.gz XRIDZNPXAHQOMO-UHFFFAOYSA-N 0 0 398.484 3.444 20 30 GGEDRN N#Cc1ccc(Cn2cnc(NC(=O)[C@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)n2)cc1 ZINC000185895259 1431268152 /nfs/dbraw/zinc/26/81/52/1431268152.db2.gz GLKRAOVODDSQFG-CABCVRRESA-N 0 0 397.360 3.358 20 30 GGEDRN CCOC(=O)[C@H]1CCCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000185897586 1431268623 /nfs/dbraw/zinc/26/86/23/1431268623.db2.gz ZLXNEDWFXQLJCU-HXUWFJFHSA-N 0 0 378.428 3.305 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000185899912 1431270462 /nfs/dbraw/zinc/27/04/62/1431270462.db2.gz RRYSFIFRDFEOES-OAHLLOKOSA-N 0 0 392.864 3.412 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)c1ccc2nnc(-c3ccsc3)n2n1 ZINC000185957860 1431296838 /nfs/dbraw/zinc/29/68/38/1431296838.db2.gz IRXOUMLINQHHIQ-UHFFFAOYSA-N 0 0 390.472 3.377 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185977902 1431303490 /nfs/dbraw/zinc/30/34/90/1431303490.db2.gz SAALKFGOKWOJIM-HXUWFJFHSA-N 0 0 377.423 3.362 20 30 GGEDRN COC(=O)[C@H](C)Cc1ccc(NC(=O)CCc2c(C)nn(CCC#N)c2C)cc1 ZINC000185986103 1431305201 /nfs/dbraw/zinc/30/52/01/1431305201.db2.gz XBHZZNLPNJVHRY-OAHLLOKOSA-N 0 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CC[C@H](CC#N)OC(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1 ZINC000188080482 1431843806 /nfs/dbraw/zinc/84/38/06/1431843806.db2.gz KRJBATYSSGNFMT-GOSISDBHSA-N 0 0 383.448 3.444 20 30 GGEDRN C#CCOc1ccccc1NC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000188082443 1431844051 /nfs/dbraw/zinc/84/40/51/1431844051.db2.gz DJWKKVUDUMHBBV-UHFFFAOYSA-N 0 0 395.434 3.218 20 30 GGEDRN C=CCOc1ccc(CN(C(=O)c2nc3nccc(C)n3n2)C(C)(C)C)cc1 ZINC000188083660 1431844466 /nfs/dbraw/zinc/84/44/66/1431844466.db2.gz OHBJGUVODLWHSN-UHFFFAOYSA-N 0 0 379.464 3.438 20 30 GGEDRN CCc1cc(=O)[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000188085667 1431844696 /nfs/dbraw/zinc/84/46/96/1431844696.db2.gz ISHJCMSNMQEFCM-UHFFFAOYSA-N 0 0 388.518 3.265 20 30 GGEDRN C[C@H]1C(=O)NCCCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000188092994 1431845672 /nfs/dbraw/zinc/84/56/72/1431845672.db2.gz QNXPRNLFULMFDF-ZDUSSCGKSA-N 0 0 383.835 3.355 20 30 GGEDRN C#CCOc1ccccc1NC(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000188095103 1431845881 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C=CC[C@H](C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)c1ccccc1 ZINC000188119609 1431849484 /nfs/dbraw/zinc/84/94/84/1431849484.db2.gz VRTMTBRDVBFHGS-QHCPKHFHSA-N 0 0 391.515 3.331 20 30 GGEDRN N#CC1(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CCCCC1 ZINC000188126225 1431850030 /nfs/dbraw/zinc/85/00/30/1431850030.db2.gz LXCDSZIEZXGJSA-AWEZNQCLSA-N 0 0 398.912 3.260 20 30 GGEDRN C#CCOc1ccccc1NC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000188126979 1431850238 /nfs/dbraw/zinc/85/02/38/1431850238.db2.gz AEXOGRGKJJTWTA-UHFFFAOYSA-N 0 0 395.434 3.394 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000188126805 1431850334 /nfs/dbraw/zinc/85/03/34/1431850334.db2.gz LZQNVCFRSGYFQR-PKOBYXMFSA-N 0 0 391.471 3.423 20 30 GGEDRN C#CCOc1ccccc1NC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000188129524 1431850553 /nfs/dbraw/zinc/85/05/53/1431850553.db2.gz YZTYLKJIOYSXTH-KRWDZBQOSA-N 0 0 396.422 3.266 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000188134308 1431851278 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C=CCN(CC=C)C(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000188476252 1431887524 /nfs/dbraw/zinc/88/75/24/1431887524.db2.gz YWPMONBUCXAEEI-INIZCTEOSA-N 0 0 392.883 3.427 20 30 GGEDRN C=CCC1(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCC1 ZINC000188478901 1431887730 /nfs/dbraw/zinc/88/77/30/1431887730.db2.gz CCVGNOJBISIYOO-UHFFFAOYSA-N 0 0 381.455 3.260 20 30 GGEDRN C#Cc1cccc(NC(=O)N(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000188481794 1431887946 /nfs/dbraw/zinc/88/79/46/1431887946.db2.gz OLJXOAQUNAUTFQ-INIZCTEOSA-N 0 0 397.500 3.433 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000188485280 1431888318 /nfs/dbraw/zinc/88/83/18/1431888318.db2.gz QREINWWVEDOIPA-QUCCMNQESA-N 0 0 380.916 3.058 20 30 GGEDRN Cc1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)co1 ZINC000188496240 1431889181 /nfs/dbraw/zinc/88/91/81/1431889181.db2.gz PKWGXJSRKIJWKR-DYTRJAOYSA-N 0 0 389.477 3.433 20 30 GGEDRN COC[C@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000188496847 1431889226 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GGEDRN C[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)c1ccc(NC(N)=O)cc1 ZINC000188696914 1431936467 /nfs/dbraw/zinc/93/64/67/1431936467.db2.gz WYLKDTYZHZSFDX-GFCCVEGCSA-N 0 0 375.350 3.425 20 30 GGEDRN CC(C)c1cccc2c1CCN(C(=O)C(=O)Nc1ccc(F)cc1OCC#N)C2 ZINC000188699269 1431937252 /nfs/dbraw/zinc/93/72/52/1431937252.db2.gz YHWPWNWDCPQEGX-UHFFFAOYSA-N 0 0 395.434 3.375 20 30 GGEDRN C[C@H](c1nnnn1C1CCCCC1)N1CCCN(c2ccccc2C#N)CC1 ZINC000188732896 1431950235 /nfs/dbraw/zinc/95/02/35/1431950235.db2.gz RXKAKNARCYFDSX-QGZVFWFLSA-N 0 0 379.512 3.323 20 30 GGEDRN CCO[C@@H]1C[C@](CO)(NC(=O)c2ccc(COc3ccccc3C#N)o2)C1(C)C ZINC000188806142 1431982443 /nfs/dbraw/zinc/98/24/43/1431982443.db2.gz XPVYDDRTGIWPBP-DENIHFKCSA-N 0 0 398.459 3.026 20 30 GGEDRN CNC(=O)c1ccc(OC)c(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000188829948 1431992694 /nfs/dbraw/zinc/99/26/94/1431992694.db2.gz DNMNOUNDNGRVJG-UHFFFAOYSA-N 0 0 376.334 3.064 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)NCC3(c4ccccc4C)CC3)CC2)o1 ZINC000188860173 1432000082 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C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@H](OCCOC)C2)c1=S ZINC000188921087 1432009460 /nfs/dbraw/zinc/00/94/60/1432009460.db2.gz XNDZFARVZMSLOK-SFHVURJKSA-N 0 0 388.537 3.270 20 30 GGEDRN CCOc1ccc(OC)cc1NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000188922484 1432009806 /nfs/dbraw/zinc/00/98/06/1432009806.db2.gz CPOHIRIIJLFRKW-UHFFFAOYSA-N 0 0 384.436 3.117 20 30 GGEDRN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCc1cccc(C#N)c1 ZINC000188943327 1432013557 /nfs/dbraw/zinc/01/35/57/1432013557.db2.gz ZDKDUBMALJOKCZ-ZDUSSCGKSA-N 0 0 394.880 3.104 20 30 GGEDRN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCc1cccc(C#N)c1 ZINC000188943350 1432013562 /nfs/dbraw/zinc/01/35/62/1432013562.db2.gz ZDKDUBMALJOKCZ-CYBMUJFWSA-N 0 0 394.880 3.104 20 30 GGEDRN CC(C)(COc1ncccc1C(F)(F)F)NC(=O)c1ccc(C#N)c(O)c1 ZINC000188954353 1432015709 /nfs/dbraw/zinc/01/57/09/1432015709.db2.gz MSQOLVVOEWQCCF-UHFFFAOYSA-N 0 0 379.338 3.265 20 30 GGEDRN N#Cc1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[O-] ZINC000188952730 1432015841 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WPSCJEUSZCMPTL-OAHLLOKOSA-N 0 0 375.425 3.208 20 30 GGEDRN C=CC1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2O[C@H](C)COC)CC1 ZINC000189440335 1432112570 /nfs/dbraw/zinc/11/25/70/1432112570.db2.gz OAKCNNBPOIHTIH-CYBMUJFWSA-N 0 0 380.872 3.117 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H](C)Sc3ccccc3)CC2)o1 ZINC000189446784 1432114603 /nfs/dbraw/zinc/11/46/03/1432114603.db2.gz YKSPJHSUQIKAOI-CQSZACIVSA-N 0 0 384.505 3.368 20 30 GGEDRN CC(C)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1Cl ZINC000189448030 1432115177 /nfs/dbraw/zinc/11/51/77/1432115177.db2.gz PRGDLZOBJZKLOW-AWEZNQCLSA-N 0 0 383.883 3.476 20 30 GGEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000189471114 1432124181 /nfs/dbraw/zinc/12/41/81/1432124181.db2.gz GAEHEYCFQOYGKY-UHFFFAOYSA-N 0 0 379.359 3.025 20 30 GGEDRN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000189474148 1432125722 /nfs/dbraw/zinc/12/57/22/1432125722.db2.gz XAODVZXAZTVKEV-OAQYLSRUSA-N 0 0 399.878 3.340 20 30 GGEDRN CCC(=O)N1CC[C@@H](NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000189476653 1432126750 /nfs/dbraw/zinc/12/67/50/1432126750.db2.gz IBYIFOBKMPATSY-QGZVFWFLSA-N 0 0 378.432 3.483 20 30 GGEDRN N#Cc1cc(NC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)ccc1Oc1ccccc1 ZINC000189477409 1432127269 /nfs/dbraw/zinc/12/72/69/1432127269.db2.gz UUQCXQTZACZYIJ-HNNXBMFYSA-N 0 0 390.443 3.483 20 30 GGEDRN C[C@H](CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CC(C)(C)C ZINC000189480427 1432129341 /nfs/dbraw/zinc/12/93/41/1432129341.db2.gz YZTFAUXJPLFHEH-QAPCUYQASA-N 0 0 398.507 3.342 20 30 GGEDRN N#Cc1cc(NC(=O)N2CCC[C@@H](CC(N)=O)C2)ccc1Oc1ccccc1 ZINC000189482715 1432130657 /nfs/dbraw/zinc/13/06/57/1432130657.db2.gz VIOLNFLNJBGQOV-HNNXBMFYSA-N 0 0 378.432 3.470 20 30 GGEDRN N#Cc1cc(NC(=O)N2CCC[C@H](CC(N)=O)C2)ccc1Oc1ccccc1 ZINC000189482695 1432130774 /nfs/dbraw/zinc/13/07/74/1432130774.db2.gz VIOLNFLNJBGQOV-OAHLLOKOSA-N 0 0 378.432 3.470 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3cnn(-c4ccccc4F)c3)CC2)o1 ZINC000189494943 1432134390 /nfs/dbraw/zinc/13/43/90/1432134390.db2.gz SZXMKEIDQLASEU-UHFFFAOYSA-N 0 0 394.410 3.035 20 30 GGEDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000189496391 1432135599 /nfs/dbraw/zinc/13/55/99/1432135599.db2.gz MBDZPBATFVHSAF-JJXUHFIVSA-N 0 0 386.879 3.413 20 30 GGEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(F)nc2F)CC1 ZINC000189499055 1432137206 /nfs/dbraw/zinc/13/72/06/1432137206.db2.gz VEWFNCYCRRKGDP-UHFFFAOYSA-N 0 0 399.357 3.335 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(C)(C(C)C)CC2)cc1 ZINC000189507757 1432140901 /nfs/dbraw/zinc/14/09/01/1432140901.db2.gz FWOUCPAQCYCHCF-UHFFFAOYSA-N 0 0 386.496 3.217 20 30 GGEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCOCC(F)F)c2)c1 ZINC000189511028 1432141415 /nfs/dbraw/zinc/14/14/15/1432141415.db2.gz DSMIASFLBJCHQV-UHFFFAOYSA-N 0 0 388.374 3.214 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@@H](Nc4ccccc4)C3)CC2)o1 ZINC000189513025 1432143256 /nfs/dbraw/zinc/14/32/56/1432143256.db2.gz LVYPWZCPKRXUDN-LJQANCHMSA-N 0 0 393.491 3.174 20 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/nfs/dbraw/zinc/15/55/94/1432155594.db2.gz AYAFSAGPSUVAGS-GHTZIAJQSA-N 0 0 392.455 3.156 20 30 GGEDRN C#CCCCCNC(=O)N1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000189553929 1432157015 /nfs/dbraw/zinc/15/70/15/1432157015.db2.gz VTWBRAXBIKXBAC-UHFFFAOYSA-N 0 0 382.464 3.438 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCCOc4cc(F)ccc43)CC2)o1 ZINC000189558382 1432158755 /nfs/dbraw/zinc/15/87/55/1432158755.db2.gz RLPYSNGAMHNWKB-KRWDZBQOSA-N 0 0 398.438 3.240 20 30 GGEDRN C=CCN(CCOC)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000189577269 1432165103 /nfs/dbraw/zinc/16/51/03/1432165103.db2.gz QYZIATNNTZDBKD-UHFFFAOYSA-N 0 0 385.439 3.422 20 30 GGEDRN Cn1cc(C(=O)C[C@H]2CCCN2C(=O)C#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000189603442 1432172380 /nfs/dbraw/zinc/17/23/80/1432172380.db2.gz VSAPWCKSHMFBPI-QGZVFWFLSA-N 0 0 389.377 3.054 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)CNc1ccccc1 ZINC000189608291 1432174466 /nfs/dbraw/zinc/17/44/66/1432174466.db2.gz AYEFGIBJUWIXOU-CVEARBPZSA-N 0 0 396.516 3.494 20 30 GGEDRN C[C@@H](CNc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000189612890 1432176934 /nfs/dbraw/zinc/17/69/34/1432176934.db2.gz WTHNCSDSFFFVDG-LBPRGKRZSA-N 0 0 390.365 3.132 20 30 GGEDRN Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](CCC#N)c3ccccc3)C2=O)cc1 ZINC000189637745 1432187251 /nfs/dbraw/zinc/18/72/51/1432187251.db2.gz DSGWAWZZGODMIB-NHCUHLMSSA-N 0 0 390.487 3.440 20 30 GGEDRN Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H](CCC#N)c3ccccc3)C2=O)cc1 ZINC000189637706 1432187551 /nfs/dbraw/zinc/18/75/51/1432187551.db2.gz DSGWAWZZGODMIB-LEWJYISDSA-N 0 0 390.487 3.440 20 30 GGEDRN C[C@@H](c1nnnn1C1CCCCC1)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000189680705 1432201677 /nfs/dbraw/zinc/20/16/77/1432201677.db2.gz QSCPJHHKOVYGNG-PXNSSMCTSA-N 0 0 379.512 3.122 20 30 GGEDRN C[C@H](C1CC1)n1cc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)cn1 ZINC000189699788 1432207985 /nfs/dbraw/zinc/20/79/85/1432207985.db2.gz BYOALDMONGHLBA-MRXNPFEDSA-N 0 0 378.480 3.470 20 30 GGEDRN CCCCCCC[C@@H](C)CNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC000189717136 1432212794 /nfs/dbraw/zinc/21/27/94/1432212794.db2.gz JBGGCGNOMMWEQF-QGZVFWFLSA-N 0 0 395.569 3.361 20 30 GGEDRN CCCCCCC[C@H](C)CNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC000189717150 1432212970 /nfs/dbraw/zinc/21/29/70/1432212970.db2.gz JBGGCGNOMMWEQF-KRWDZBQOSA-N 0 0 395.569 3.361 20 30 GGEDRN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C#N)c(C)n1 ZINC000189733400 1432218428 /nfs/dbraw/zinc/21/84/28/1432218428.db2.gz YYXVXJQRMNUDLA-UHFFFAOYSA-N 0 0 391.349 3.096 20 30 GGEDRN Cc1ccc(C[C@@H](CO)NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000189746270 1432222617 /nfs/dbraw/zinc/22/26/17/1432222617.db2.gz ZYVMCMDOAXSODI-IBGZPJMESA-N 0 0 390.405 3.268 20 30 GGEDRN Cc1ncsc1CN(C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000189759162 1432226480 /nfs/dbraw/zinc/22/64/80/1432226480.db2.gz GZNPDBASJKKQHM-LBPRGKRZSA-N 0 0 388.518 3.443 20 30 GGEDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000189765222 1432229050 /nfs/dbraw/zinc/22/90/50/1432229050.db2.gz QCELJGVBGXRZAK-OAHLLOKOSA-N 0 0 382.338 3.116 20 30 GGEDRN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H](C)c1cccc(C#N)c1 ZINC000189778097 1432232594 /nfs/dbraw/zinc/23/25/94/1432232594.db2.gz KEBKKYACCMSHHI-GOSISDBHSA-N 0 0 392.503 3.416 20 30 GGEDRN O=C(NCCOCC(F)F)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000189787809 1432234783 /nfs/dbraw/zinc/23/47/83/1432234783.db2.gz HSBOYWSAJPYHBZ-NSHDSACASA-N 0 0 392.271 3.472 20 30 GGEDRN C[C@@H](C1CC1)n1cc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cn1 ZINC000189789510 1432235416 /nfs/dbraw/zinc/23/54/16/1432235416.db2.gz MBGJHHVOMVHSSA-AWEZNQCLSA-N 0 0 382.443 3.219 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)c1C#N ZINC000189816161 1432243052 /nfs/dbraw/zinc/24/30/52/1432243052.db2.gz YYQYCNVOBGNPKD-IFXJQAMLSA-N 0 0 397.862 3.447 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)c1C#N ZINC000189816192 1432243180 /nfs/dbraw/zinc/24/31/80/1432243180.db2.gz YYQYCNVOBGNPKD-AUUYWEPGSA-N 0 0 397.862 3.447 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)c1C#N ZINC000189816179 1432243248 /nfs/dbraw/zinc/24/32/48/1432243248.db2.gz YYQYCNVOBGNPKD-LIRRHRJNSA-N 0 0 397.862 3.447 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000189817930 1432243564 /nfs/dbraw/zinc/24/35/64/1432243564.db2.gz WHUHLHIHOIZVIB-KUHUBIRLSA-N 0 0 397.862 3.447 20 30 GGEDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000189817213 1432243660 /nfs/dbraw/zinc/24/36/60/1432243660.db2.gz ODDTZWXJLAIXGV-SNVBAGLBSA-N 0 0 393.255 3.275 20 30 GGEDRN C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000189817653 1432243766 /nfs/dbraw/zinc/24/37/66/1432243766.db2.gz OTVDNOAIVFENNB-SCLBCKFNSA-N 0 0 383.835 3.139 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000189821018 1432244741 /nfs/dbraw/zinc/24/47/41/1432244741.db2.gz NCMZTDFVTPRGMK-BFUOFWGJSA-N 0 0 397.862 3.447 20 30 GGEDRN C[C@@H](Sc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000189823525 1432245222 /nfs/dbraw/zinc/24/52/22/1432245222.db2.gz 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381.461 3.131 20 30 GGEDRN CCOC(=O)c1csc([C@@H]2CCCN2[C@@H](C)C(=O)Nc2ccccc2C#N)n1 ZINC000191449227 1432663669 /nfs/dbraw/zinc/66/36/69/1432663669.db2.gz NUEDEXPPOBYVQU-GUYCJALGSA-N 0 0 398.488 3.356 20 30 GGEDRN C[C@@H](O)CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)[C@@H](C)CO ZINC000191454305 1432664822 /nfs/dbraw/zinc/66/48/22/1432664822.db2.gz NQQGPNVLGJXDFE-UONOGXRCSA-N 0 0 388.851 3.208 20 30 GGEDRN C=CCn1c(S[C@@H](C)c2nnnn2C2CC2)nc2sc(C)c(C)c2c1=O ZINC000191494710 1432672444 /nfs/dbraw/zinc/67/24/44/1432672444.db2.gz RNSNMUUJXGBJSM-NSHDSACASA-N 0 0 388.522 3.436 20 30 GGEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000191512888 1432676552 /nfs/dbraw/zinc/67/65/52/1432676552.db2.gz DOERTAYZSJJVBT-LJQANCHMSA-N 0 0 385.508 3.394 20 30 GGEDRN C#CCNC(=O)[C@@H](C)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1 ZINC000191514867 1432677001 /nfs/dbraw/zinc/67/70/01/1432677001.db2.gz LTIKSZCRTUPPTB-OAHLLOKOSA-N 0 0 383.517 3.136 20 30 GGEDRN C=CCn1c(S[C@@H](C)c2nnnn2C2CC2)nnc1-c1ccccc1OC 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393.418 3.354 20 30 GGEDRN N#CCOc1ccc(CC(=O)O[C@H]2CCCN(c3ccc(F)cc3C#N)C2)cc1 ZINC000191602804 1432690737 /nfs/dbraw/zinc/69/07/37/1432690737.db2.gz IMKFFGUQQBWKPH-FQEVSTJZSA-N 0 0 393.418 3.354 20 30 GGEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1ccc(Cn2cncn2)cc1 ZINC000191619285 1432693995 /nfs/dbraw/zinc/69/39/95/1432693995.db2.gz JQSLGSVQDZESDI-UHFFFAOYSA-N 0 0 384.361 3.013 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2c[nH]c(=O)c3ccccc23)ccc1OC ZINC000191649072 1432699889 /nfs/dbraw/zinc/69/98/89/1432699889.db2.gz UDDXOJFKEVEKMJ-HNNXBMFYSA-N 0 0 391.427 3.148 20 30 GGEDRN N#Cc1ccccc1CN1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000191656612 1432700755 /nfs/dbraw/zinc/70/07/55/1432700755.db2.gz WGJQFDKZFLZXOK-KRWDZBQOSA-N 0 0 375.350 3.130 20 30 GGEDRN N#Cc1cccc(CN2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)c1 ZINC000191656091 1432700877 /nfs/dbraw/zinc/70/08/77/1432700877.db2.gz RBGVDKNZARPAHS-QGZVFWFLSA-N 0 0 375.350 3.130 20 30 GGEDRN N#Cc1csc(CN2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)c1 ZINC000191656490 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3.294 20 30 GGEDRN Cc1cc(C)c(C#N)c(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)n1 ZINC000191884801 1432746834 /nfs/dbraw/zinc/74/68/34/1432746834.db2.gz SCCZTZLWFHLENG-UHFFFAOYSA-N 0 0 382.415 3.157 20 30 GGEDRN CO[C@](C)(C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000191893587 1432749307 /nfs/dbraw/zinc/74/93/07/1432749307.db2.gz QBXRHTZMJPAQSP-QHCPKHFHSA-N 0 0 395.478 3.293 20 30 GGEDRN Cc1ccc(-c2noc(CN3CCN(Cc4ccc(C#N)c(F)c4)CC3)n2)cc1 ZINC000191900100 1432751137 /nfs/dbraw/zinc/75/11/37/1432751137.db2.gz CEPHKPHQTYSZNP-UHFFFAOYSA-N 0 0 391.450 3.374 20 30 GGEDRN CCOc1cc(CN2CC(O)(CC#N)C2)ccc1OCCOc1ccc(C)cc1 ZINC000191912719 1432753967 /nfs/dbraw/zinc/75/39/67/1432753967.db2.gz DUUYDGITPIGPKF-UHFFFAOYSA-N 0 0 396.487 3.312 20 30 GGEDRN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2CN2CC(O)(CC#N)C2)cc1 ZINC000191915565 1432754814 /nfs/dbraw/zinc/75/48/14/1432754814.db2.gz MEUPOIXFLGFHDF-UHFFFAOYSA-N 0 0 376.435 3.447 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191918075 1432755506 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0 0 390.487 3.500 20 30 GGEDRN CCCCS(=O)(=O)c1ccc(C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 ZINC000192325842 1432832135 /nfs/dbraw/zinc/83/21/35/1432832135.db2.gz IYSLQLDBTVFERQ-UHFFFAOYSA-N 0 0 388.493 3.336 20 30 GGEDRN CCC1CCC(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000192328359 1432832362 /nfs/dbraw/zinc/83/23/62/1432832362.db2.gz KNPPGQMHGLGRPQ-OUNSHVDWSA-N 0 0 382.508 3.175 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CCCc3c(O)cccc32)c1 ZINC000192330362 1432832615 /nfs/dbraw/zinc/83/26/15/1432832615.db2.gz QOAJILLYFPMAAF-LJQANCHMSA-N 0 0 380.444 3.479 20 30 GGEDRN Cc1cccc([C@H](C)CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000192334624 1432833114 /nfs/dbraw/zinc/83/31/14/1432833114.db2.gz ZRNNZLCKTYZSQU-UTKZUKDTSA-N 0 0 390.487 3.071 20 30 GGEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCCCC3CCCC3)C2=O)cc1 ZINC000192339080 1432833551 /nfs/dbraw/zinc/83/35/51/1432833551.db2.gz QBLTVDKTKSVWQK-HXUWFJFHSA-N 0 0 382.508 3.319 20 30 GGEDRN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192342081 1432833831 /nfs/dbraw/zinc/83/38/31/1432833831.db2.gz JGHOYPHEGHQZOO-AYOQOUSVSA-N 0 0 382.508 3.173 20 30 GGEDRN CC1(C)CCC(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000192348344 1432835000 /nfs/dbraw/zinc/83/50/00/1432835000.db2.gz PRAGRLQKDDKVRG-IBGZPJMESA-N 0 0 382.508 3.175 20 30 GGEDRN CC[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C)cc1 ZINC000192359099 1432836525 /nfs/dbraw/zinc/83/65/25/1432836525.db2.gz RBAOVGZVPFHMGR-LEWJYISDSA-N 0 0 390.487 3.418 20 30 GGEDRN C#CCCCC(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000192359142 1432836533 /nfs/dbraw/zinc/83/65/33/1432836533.db2.gz LRXVGWJYIOCOHM-FQEVSTJZSA-N 0 0 391.439 3.377 20 30 GGEDRN C[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]1c1ccccc1 ZINC000192358925 1432836552 /nfs/dbraw/zinc/83/65/52/1432836552.db2.gz ZIFCPDQKFYARCO-DQLDELGASA-N 0 0 388.471 3.062 20 30 GGEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@H]3c3ccccc3)C2=O)cc1 ZINC000192359223 1432836583 /nfs/dbraw/zinc/83/65/83/1432836583.db2.gz WKFDWSDPPASAKK-LEWJYISDSA-N 0 0 388.471 3.206 20 30 GGEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@H]3c3ccccc3)C2=O)cc1 ZINC000192359208 1432836593 /nfs/dbraw/zinc/83/65/93/1432836593.db2.gz WKFDWSDPPASAKK-RTWAWAEBSA-N 0 0 388.471 3.206 20 30 GGEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CCCc4sccc43)C2=O)cc1 ZINC000192359928 1432836802 /nfs/dbraw/zinc/83/68/02/1432836802.db2.gz KNTDPZDZNFFWIV-QZTJIDSGSA-N 0 0 394.500 3.097 20 30 GGEDRN Cc1ccc([C@@H](C)N(C)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000192360467 1432836842 /nfs/dbraw/zinc/83/68/42/1432836842.db2.gz LOUROAIHFCLGGI-UTKZUKDTSA-N 0 0 390.487 3.370 20 30 GGEDRN CCN(Cc1ccccc1C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192359324 1432836846 /nfs/dbraw/zinc/83/68/46/1432836846.db2.gz KLHOILCUJMZCQM-NRFANRHFSA-N 0 0 390.487 3.199 20 30 GGEDRN CC(C)CC[C@@H]1CCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192360677 1432836853 /nfs/dbraw/zinc/83/68/53/1432836853.db2.gz PMSGEDACNLDHJO-VQTJNVASSA-N 0 0 382.508 3.269 20 30 GGEDRN C[C@H](c1cccs1)N(C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192361711 1432837020 /nfs/dbraw/zinc/83/70/20/1432837020.db2.gz KEFWPXANGKTXON-RHSMWYFYSA-N 0 0 382.489 3.123 20 30 GGEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@]4(CC=CCC4)C3)C2=O)cc1 ZINC000192361609 1432837069 /nfs/dbraw/zinc/83/70/69/1432837069.db2.gz JAXSJALCMJNLHD-NZQKXSOJSA-N 0 0 392.503 3.191 20 30 GGEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@H]3c3cccs3)C2=O)cc1 ZINC000192362920 1432837288 /nfs/dbraw/zinc/83/72/88/1432837288.db2.gz NDSBBPHIJCGTCL-ROUUACIJSA-N 0 0 394.500 3.267 20 30 GGEDRN CC[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccs1 ZINC000192363334 1432837306 /nfs/dbraw/zinc/83/73/06/1432837306.db2.gz AUBVBHCSPGZPEA-IRXDYDNUSA-N 0 0 382.489 3.171 20 30 GGEDRN C[C@H](c1ccccc1F)N(C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192363385 1432837451 /nfs/dbraw/zinc/83/74/51/1432837451.db2.gz PLGMARGJVQDDNS-QRWLVFNGSA-N 0 0 394.450 3.201 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000192377981 1432839162 /nfs/dbraw/zinc/83/91/62/1432839162.db2.gz LVUMNDYYMHZAIN-OAHLLOKOSA-N 0 0 382.382 3.074 20 30 GGEDRN COC(=O)[C@H](C)N(CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C1CCC1 ZINC000192381377 1432839556 /nfs/dbraw/zinc/83/95/56/1432839556.db2.gz TUIWUAWIHZBTNU-HNNXBMFYSA-N 0 0 391.899 3.311 20 30 GGEDRN C#CCCCC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 ZINC000192385979 1432840190 /nfs/dbraw/zinc/84/01/90/1432840190.db2.gz PWTHDBUNSPIWLF-UHFFFAOYSA-N 0 0 388.533 3.477 20 30 GGEDRN COC(=O)[C@@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 ZINC000192409682 1432841878 /nfs/dbraw/zinc/84/18/78/1432841878.db2.gz WVWPOBDEAGDJSX-HNNXBMFYSA-N 0 0 375.787 3.429 20 30 GGEDRN N#Cc1ccc(N2CC[C@@H](N3CCC(C(=O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000192464821 1432848028 /nfs/dbraw/zinc/84/80/28/1432848028.db2.gz HSMACTDQGMEPOI-OAQYLSRUSA-N 0 0 391.446 3.398 20 30 GGEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCCOCC(F)(F)F ZINC000192466921 1432848187 /nfs/dbraw/zinc/84/81/87/1432848187.db2.gz ASYOOYJZTPQOHA-UHFFFAOYSA-N 0 0 382.304 3.325 20 30 GGEDRN Cc1oc(NC(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)c(C#N)c1C ZINC000192469903 1432848437 /nfs/dbraw/zinc/84/84/37/1432848437.db2.gz XNHHJRVIZOSULE-UHFFFAOYSA-N 0 0 383.423 3.441 20 30 GGEDRN N#Cc1c2c(sc1NC(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)CCC2 ZINC000192468707 1432848549 /nfs/dbraw/zinc/84/85/49/1432848549.db2.gz VVVGPAQMGHPZOM-UHFFFAOYSA-N 0 0 379.401 3.455 20 30 GGEDRN N#Cc1cc(F)ccc1NC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000192472369 1432848941 /nfs/dbraw/zinc/84/89/41/1432848941.db2.gz VXJGVWPKGHRSDI-UHFFFAOYSA-N 0 0 382.395 3.286 20 30 GGEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)N1CCc2ccccc21 ZINC000192493880 1432850785 /nfs/dbraw/zinc/85/07/85/1432850785.db2.gz VQNHDLHBHAILKK-UHFFFAOYSA-N 0 0 386.459 3.031 20 30 GGEDRN Cc1ccc(SCCNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000192524684 1432854920 /nfs/dbraw/zinc/85/49/20/1432854920.db2.gz CWCOUWLRPKBJLO-UHFFFAOYSA-N 0 0 384.505 3.270 20 30 GGEDRN CC(=O)NCCCc1ccc(-c2csc(NC(=O)CSCC#N)n2)cc1 ZINC000192530403 1432855671 /nfs/dbraw/zinc/85/56/71/1432855671.db2.gz VBGGNUGPIAEDSP-UHFFFAOYSA-N 0 0 388.518 3.074 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCC1(c2ccccc2)CCC1 ZINC000192538971 1432856815 /nfs/dbraw/zinc/85/68/15/1432856815.db2.gz KAQKJWHGPVYVEB-UHFFFAOYSA-N 0 0 378.476 3.291 20 30 GGEDRN N#Cc1ccc(CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C2CC2)cc1 ZINC000192557248 1432859566 /nfs/dbraw/zinc/85/95/66/1432859566.db2.gz XMQDEOUHSDABAX-UHFFFAOYSA-N 0 0 387.399 3.457 20 30 GGEDRN CCC[C@@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(C#N)cc3)sc2C1 ZINC000192559069 1432859735 /nfs/dbraw/zinc/85/97/35/1432859735.db2.gz UHGXHIQGRGZMEC-CYBMUJFWSA-N 0 0 382.489 3.175 20 30 GGEDRN N#Cc1ccccc1/C=C/C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000192568218 1432861283 /nfs/dbraw/zinc/86/12/83/1432861283.db2.gz FQIHXHDAPACFCO-ZHACJKMWSA-N 0 0 377.419 3.085 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)CC2)o1 ZINC000192572599 1432861787 /nfs/dbraw/zinc/86/17/87/1432861787.db2.gz OIIAUOMOOQPEHA-UHFFFAOYSA-N 0 0 389.459 3.134 20 30 GGEDRN CCN(CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1C ZINC000192577807 1432862451 /nfs/dbraw/zinc/86/24/51/1432862451.db2.gz WJVAHQNVZFMLKK-UHFFFAOYSA-N 0 0 395.507 3.004 20 30 GGEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(C)c(C)n[nH]c1=O ZINC000192598690 1432864333 /nfs/dbraw/zinc/86/43/33/1432864333.db2.gz ANNKCFXRSXTYFH-UHFFFAOYSA-N 0 0 375.388 3.006 20 30 GGEDRN C=C(C)CN(CC)C(=O)C[S@@](=O)Cc1csc(-c2cccc(OC)c2)n1 ZINC000192604220 1432865118 /nfs/dbraw/zinc/86/51/18/1432865118.db2.gz WRBBRUSVDMYFDU-SANMLTNESA-N 0 0 392.546 3.492 20 30 GGEDRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192609863 1432865727 /nfs/dbraw/zinc/86/57/27/1432865727.db2.gz MSNRSZFXLXZPIA-IIDRJIIISA-N 0 0 395.528 3.484 20 30 GGEDRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192609846 1432865749 /nfs/dbraw/zinc/86/57/49/1432865749.db2.gz MSNRSZFXLXZPIA-SYWSQECDSA-N 0 0 395.528 3.484 20 30 GGEDRN C=C[C@@H](CC(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1)c1ccccc1 ZINC000192617241 1432866794 /nfs/dbraw/zinc/86/67/94/1432866794.db2.gz QMCRGRIWCLBLMD-HNNXBMFYSA-N 0 0 376.416 3.352 20 30 GGEDRN N#Cc1c(CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)cn2ccccc12 ZINC000192620012 1432867118 /nfs/dbraw/zinc/86/71/18/1432867118.db2.gz YKDOMCZLUVUEPS-QHCPKHFHSA-N 0 0 384.439 3.485 20 30 GGEDRN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1ccc(C#N)c(C)n1 ZINC000192620225 1432867176 /nfs/dbraw/zinc/86/71/76/1432867176.db2.gz RNXANTIZTRGNBZ-UHFFFAOYSA-N 0 0 376.338 3.115 20 30 GGEDRN C=CCn1c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc1-c1ccccc1F ZINC000192622875 1432867463 /nfs/dbraw/zinc/86/74/63/1432867463.db2.gz JEXLAFRUSIVRCA-LJQANCHMSA-N 0 0 387.484 3.417 20 30 GGEDRN C=CCn1c(S[C@H](C)C(=O)NC[C@H]2CCCO2)nnc1-c1ccccc1F ZINC000192623776 1432867630 /nfs/dbraw/zinc/86/76/30/1432867630.db2.gz BLHRWWLYVSRDSQ-ZIAGYGMSSA-N 0 0 390.484 3.046 20 30 GGEDRN CCc1ccccc1NC(=O)[C@@H](C)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000192635404 1432869485 /nfs/dbraw/zinc/86/94/85/1432869485.db2.gz FQBAAVCNLMZNEA-GCJKJVERSA-N 0 0 376.504 3.458 20 30 GGEDRN N#Cc1ccc(CNC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC000192645042 1432870601 /nfs/dbraw/zinc/87/06/01/1432870601.db2.gz VYONBGXQTPCPDD-UHFFFAOYSA-N 0 0 377.444 3.223 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000192649718 1432871363 /nfs/dbraw/zinc/87/13/63/1432871363.db2.gz XTDBODGHCFGNHL-UHFFFAOYSA-N 0 0 383.404 3.293 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000192663817 1432872862 /nfs/dbraw/zinc/87/28/62/1432872862.db2.gz UAADIRXIXHJJJL-GOSISDBHSA-N 0 0 378.476 3.287 20 30 GGEDRN COc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000192677054 1432874483 /nfs/dbraw/zinc/87/44/83/1432874483.db2.gz DPWWMUUIKBEEAH-CQSZACIVSA-N 0 0 382.464 3.281 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc2ncsc2c1 ZINC000192677846 1432874528 /nfs/dbraw/zinc/87/45/28/1432874528.db2.gz XHCXAJBTASHAFU-UHFFFAOYSA-N 0 0 376.445 3.399 20 30 GGEDRN COc1ccc2[nH]cc(CC(=O)N3CCCN(c4ccccc4C#N)CC3)c2c1 ZINC000192683036 1432874998 /nfs/dbraw/zinc/87/49/98/1432874998.db2.gz CZJVMEINQNYUQH-UHFFFAOYSA-N 0 0 388.471 3.330 20 30 GGEDRN CCCOc1ccc(CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000192688937 1432875647 /nfs/dbraw/zinc/87/56/47/1432875647.db2.gz USWHFGMHSWBZFC-UHFFFAOYSA-N 0 0 382.464 3.158 20 30 GGEDRN C=CCN(CC=C)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000192692417 1432875917 /nfs/dbraw/zinc/87/59/17/1432875917.db2.gz JMVQLQVDOUTEGV-MRXNPFEDSA-N 0 0 377.510 3.313 20 30 GGEDRN CC[C@H]1CCc2nc(NC(=O)C(=O)N(C)Cc3ccc(C#N)cc3)sc2C1 ZINC000192694528 1432876141 /nfs/dbraw/zinc/87/61/41/1432876141.db2.gz PWAYUEYSDWADAF-ZDUSSCGKSA-N 0 0 382.489 3.127 20 30 GGEDRN CC[C@@H]1CCc2nc(NC(=O)C(=O)N(C)Cc3ccc(C#N)cc3)sc2C1 ZINC000192694516 1432876215 /nfs/dbraw/zinc/87/62/15/1432876215.db2.gz PWAYUEYSDWADAF-CYBMUJFWSA-N 0 0 382.489 3.127 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000192694547 1432876237 /nfs/dbraw/zinc/87/62/37/1432876237.db2.gz DZOBESZRRIHTFQ-UHFFFAOYSA-N 0 0 382.489 3.271 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](N3C[C@H](O)C[C@@H]3c3cc(F)ccc3F)C2=O)cc1 ZINC000192697119 1432876597 /nfs/dbraw/zinc/87/65/97/1432876597.db2.gz FJLYJHNXZSWPJM-JRGCBEDISA-N 0 0 397.425 3.140 20 30 GGEDRN Cc1cc(C)c(CCNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)c(C)c1 ZINC000192698806 1432876646 /nfs/dbraw/zinc/87/66/46/1432876646.db2.gz DIBOZSSRTYVBRN-UHFFFAOYSA-N 0 0 380.492 3.337 20 30 GGEDRN COc1ccc(F)cc1[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192707173 1432877945 /nfs/dbraw/zinc/87/79/45/1432877945.db2.gz HYJIZGHWVRSNGY-GFCCVEGCSA-N 0 0 386.427 3.078 20 30 GGEDRN COc1cc(CN(C2CC2)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1O ZINC000192710574 1432878364 /nfs/dbraw/zinc/87/83/64/1432878364.db2.gz ALTFQNTYAOTJKK-HXUWFJFHSA-N 0 0 391.471 3.432 20 30 GGEDRN COC(=O)[C@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000192728762 1432881017 /nfs/dbraw/zinc/88/10/17/1432881017.db2.gz UPBXNAYINKMTMC-GOSISDBHSA-N 0 0 386.448 3.004 20 30 GGEDRN COc1ccc(CCCN(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000192737524 1432882624 /nfs/dbraw/zinc/88/26/24/1432882624.db2.gz YBDMVDZXKYMFSU-UHFFFAOYSA-N 0 0 396.491 3.153 20 30 GGEDRN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)c2ccc(C#N)cc2)C1=O ZINC000192761296 1432886084 /nfs/dbraw/zinc/88/60/84/1432886084.db2.gz MWUOXVPDIMPMFM-QHCPKHFHSA-N 0 0 383.407 3.361 20 30 GGEDRN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)c2ccc(C#N)cc2)C1=O ZINC000192761309 1432886126 /nfs/dbraw/zinc/88/61/26/1432886126.db2.gz MWUOXVPDIMPMFM-HSZRJFAPSA-N 0 0 383.407 3.361 20 30 GGEDRN Cn1c2ccccc2n(CCC(=O)Nc2sc3c(c2C#N)CCCC3)c1=O ZINC000192764365 1432886687 /nfs/dbraw/zinc/88/66/87/1432886687.db2.gz YSTGVQXTUKNUMW-UHFFFAOYSA-N 0 0 380.473 3.181 20 30 GGEDRN CCCc1ccc(NC(=O)C(=O)NCCSCc2ccccc2C#N)cc1 ZINC000192767634 1432887538 /nfs/dbraw/zinc/88/75/38/1432887538.db2.gz IFGBEWDCZQWODA-UHFFFAOYSA-N 0 0 381.501 3.499 20 30 GGEDRN CC(C)[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C2CC2)no1 ZINC000192767950 1432887745 /nfs/dbraw/zinc/88/77/45/1432887745.db2.gz IBKDTJWZJCHCRQ-ROUUACIJSA-N 0 0 379.464 3.301 20 30 GGEDRN CN(CC(F)(F)F)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000192768970 1432887883 /nfs/dbraw/zinc/88/78/83/1432887883.db2.gz QZAPFYWOLXSAAO-UHFFFAOYSA-N 0 0 377.322 3.310 20 30 GGEDRN C[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)N(C)CC(F)(F)F ZINC000192783063 1432890283 /nfs/dbraw/zinc/89/02/83/1432890283.db2.gz LEUBQSHDTKZEFG-LLVKDONJSA-N 0 0 382.411 3.427 20 30 GGEDRN O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000192783038 1432890298 /nfs/dbraw/zinc/89/02/98/1432890298.db2.gz RNWVGMKKDCOHNX-QZTJIDSGSA-N 0 0 386.373 3.482 20 30 GGEDRN COC(=O)[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)c(C)c1 ZINC000192787076 1432890956 /nfs/dbraw/zinc/89/09/56/1432890956.db2.gz GHGRRHMMAGKOJQ-WOJBJXKFSA-N 0 0 395.434 3.005 20 30 GGEDRN COC(=O)[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)c(C)c1 ZINC000192787100 1432891007 /nfs/dbraw/zinc/89/10/07/1432891007.db2.gz GHGRRHMMAGKOJQ-VQTJNVASSA-N 0 0 395.434 3.005 20 30 GGEDRN N#Cc1ccccc1/C=C/C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000192789293 1432891220 /nfs/dbraw/zinc/89/12/20/1432891220.db2.gz KVOKMZONGANKPJ-CVTTXWKISA-N 0 0 375.476 3.296 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000192802999 1432893095 /nfs/dbraw/zinc/89/30/95/1432893095.db2.gz DLMITONJDLJFJY-UHFFFAOYSA-N 0 0 394.500 3.437 20 30 GGEDRN Cc1cccc(C(C)(C)CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 ZINC000192803977 1432893099 /nfs/dbraw/zinc/89/30/99/1432893099.db2.gz SSVFVCIZNNQLPI-UHFFFAOYSA-N 0 0 380.492 3.456 20 30 GGEDRN CCOc1cccc([C@H](C)NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 ZINC000192803292 1432893130 /nfs/dbraw/zinc/89/31/30/1432893130.db2.gz UNRZHZAECKMMRM-AWEZNQCLSA-N 0 0 382.464 3.329 20 30 GGEDRN C=CCOc1ccccc1C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000192811274 1432893505 /nfs/dbraw/zinc/89/35/05/1432893505.db2.gz SDIYTUMLVICMGP-UHFFFAOYSA-N 0 0 382.435 3.379 20 30 GGEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H]1CCCCNC1=O ZINC000192809996 1432893518 /nfs/dbraw/zinc/89/35/18/1432893518.db2.gz SYJWEUIAZSXVAN-OAHLLOKOSA-N 0 0 392.912 3.457 20 30 GGEDRN C=CCOc1ccc(CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C)cc1 ZINC000192821980 1432895085 /nfs/dbraw/zinc/89/50/85/1432895085.db2.gz ZWLKPHWATBSRFF-UHFFFAOYSA-N 0 0 399.447 3.149 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)cc1 ZINC000192832214 1432896537 /nfs/dbraw/zinc/89/65/37/1432896537.db2.gz JENRMXDLBZGLCD-UHFFFAOYSA-N 0 0 377.448 3.060 20 30 GGEDRN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)Cc2noc3ccccc23)C1=O ZINC000192835068 1432896733 /nfs/dbraw/zinc/89/67/33/1432896733.db2.gz LMQJQJLJWOGZKM-FQEVSTJZSA-N 0 0 386.452 3.073 20 30 GGEDRN C=CCN(CCO[C@H]1CCCCO1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000192835135 1432896817 /nfs/dbraw/zinc/89/68/17/1432896817.db2.gz HXSVZOZWJIPKKN-INIZCTEOSA-N 0 0 393.427 3.425 20 30 GGEDRN COc1ccc(C)cc1CCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000192849992 1432898857 /nfs/dbraw/zinc/89/88/57/1432898857.db2.gz BWZPAJPPRHVYLH-UHFFFAOYSA-N 0 0 379.460 3.102 20 30 GGEDRN CCN(CCCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000192852079 1432899092 /nfs/dbraw/zinc/89/90/92/1432899092.db2.gz VMSFFXCJXDEICE-UHFFFAOYSA-N 0 0 392.503 3.459 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)CCCc1nc2ccccc2[nH]1 ZINC000192851578 1432899137 /nfs/dbraw/zinc/89/91/37/1432899137.db2.gz DKNNMMLDNGXKPO-UHFFFAOYSA-N 0 0 376.460 3.432 20 30 GGEDRN COc1cc(CNC(=O)c2ccc(C#N)c(C)n2)ccc1OCC(F)(F)F ZINC000192878291 1432902078 /nfs/dbraw/zinc/90/20/78/1432902078.db2.gz FJYPEHQMPZHAHN-UHFFFAOYSA-N 0 0 379.338 3.141 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)NC2(Cc3ccccc3)CC2)c1 ZINC000192905981 1432905602 /nfs/dbraw/zinc/90/56/02/1432905602.db2.gz BJSJNBPVCVQMLE-UHFFFAOYSA-N 0 0 377.444 3.199 20 30 GGEDRN COc1cc(Cl)ccc1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192909318 1432905857 /nfs/dbraw/zinc/90/58/57/1432905857.db2.gz IWAQBLISGSJTEN-UHFFFAOYSA-N 0 0 388.855 3.032 20 30 GGEDRN C[C@H]1CN(c2ccc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cn2)C[C@H](C)O1 ZINC000192915864 1432906937 /nfs/dbraw/zinc/90/69/37/1432906937.db2.gz OXMWOPDIISEXGJ-IRXDYDNUSA-N 0 0 390.487 3.372 20 30 GGEDRN Cc1csc(CNC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)n1 ZINC000192929515 1432909241 /nfs/dbraw/zinc/90/92/41/1432909241.db2.gz WKNWQGTUMFFTQN-UHFFFAOYSA-N 0 0 375.453 3.106 20 30 GGEDRN CCS[C@H]1CCCCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000192929650 1432909276 /nfs/dbraw/zinc/90/92/76/1432909276.db2.gz YPDDBGPFHVJDPL-HNNXBMFYSA-N 0 0 376.526 3.187 20 30 GGEDRN CN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H]1CCc2ccccc2C1 ZINC000192944869 1432911349 /nfs/dbraw/zinc/91/13/49/1432911349.db2.gz KLFNGJABDPEZSE-SFHVURJKSA-N 0 0 378.476 3.069 20 30 GGEDRN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192976296 1432915776 /nfs/dbraw/zinc/91/57/76/1432915776.db2.gz VEPRRDHLZJSVDV-WBVHZDCISA-N 0 0 388.512 3.011 20 30 GGEDRN C=CCn1c(COc2ccccc2F)nn(CN2CCO[C@@H](CC)C2)c1=S ZINC000192990745 1432918287 /nfs/dbraw/zinc/91/82/87/1432918287.db2.gz BUTIMNMIZQOAPL-HNNXBMFYSA-N 0 0 392.500 3.386 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000192992813 1432918653 /nfs/dbraw/zinc/91/86/53/1432918653.db2.gz JZTYQQZZTCOYIE-SFHVURJKSA-N 0 0 378.476 3.191 20 30 GGEDRN CNC(=O)c1ccc(/C=C(\C(=O)Nc2cccnc2)C(=O)c2ccccc2)cc1 ZINC000192995317 1432919017 /nfs/dbraw/zinc/91/90/17/1432919017.db2.gz GMPJQHCERLICAU-ZHZULCJRSA-N 0 0 385.423 3.346 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)NCCCc3cccc(Cl)c3)CC2)o1 ZINC000192997130 1432919283 /nfs/dbraw/zinc/91/92/83/1432919283.db2.gz FZSQDTTWKYWXLF-UHFFFAOYSA-N 0 0 386.883 3.474 20 30 GGEDRN COc1ccc(C(C)(C)CNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1 ZINC000193001091 1432919961 /nfs/dbraw/zinc/91/99/61/1432919961.db2.gz SJMGIOUYTOKYJL-UHFFFAOYSA-N 0 0 396.491 3.174 20 30 GGEDRN CC(=O)Nc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 ZINC000193003038 1432920534 /nfs/dbraw/zinc/92/05/34/1432920534.db2.gz VBKBSFYASJWVSD-CQSZACIVSA-N 0 0 392.459 3.262 20 30 GGEDRN Cc1cccc2c(CCNC(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)c[nH]c21 ZINC000193023989 1432923868 /nfs/dbraw/zinc/92/38/68/1432923868.db2.gz CVYWVLZQEAUVNH-UHFFFAOYSA-N 0 0 391.475 3.202 20 30 GGEDRN Cc1csc([C@@H](NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C2CC2)n1 ZINC000193031661 1432924800 /nfs/dbraw/zinc/92/48/00/1432924800.db2.gz OSZGOCHLCNVIGJ-HNNXBMFYSA-N 0 0 385.493 3.086 20 30 GGEDRN Cc1cc(C)cc(C[C@H](C)NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 ZINC000193043408 1432926606 /nfs/dbraw/zinc/92/66/06/1432926606.db2.gz XWAKOZFKLOWFFN-INIZCTEOSA-N 0 0 380.492 3.418 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@H](Cc1cccc(F)c1)n1nnnc1C ZINC000193043451 1432926728 /nfs/dbraw/zinc/92/67/28/1432926728.db2.gz GYYRJWHIFWUVNS-SFHVURJKSA-N 0 0 385.468 3.181 20 30 GGEDRN C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)Sc1ccccc1 ZINC000193049771 1432927977 /nfs/dbraw/zinc/92/79/77/1432927977.db2.gz NMVKZPHCHNMUED-AWEZNQCLSA-N 0 0 384.505 3.350 20 30 GGEDRN Cc1nnc(SCC(=O)NCc2ccc(OC(F)(F)F)cc2)c(C#N)c1C ZINC000193049731 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ZINC000245949869 1433549673 /nfs/dbraw/zinc/54/96/73/1433549673.db2.gz PBGVGVQSQDGUFA-RBSFLKMASA-N 0 0 375.494 3.132 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c1 ZINC000245950125 1433549817 /nfs/dbraw/zinc/54/98/17/1433549817.db2.gz BZISWWRSJDEDRR-PWRODBHTSA-N 0 0 376.456 3.425 20 30 GGEDRN N#Cc1ccc([C@H](O)CN2CCO[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000245966963 1433551797 /nfs/dbraw/zinc/55/17/97/1433551797.db2.gz DVOSWVFPLCSLLN-RTBURBONSA-N 0 0 387.277 3.428 20 30 GGEDRN C[C@@H](CC#N)N(C)Cn1nc([C@H](C)N(C)C)n(-c2ccc(F)cc2)c1=S ZINC000246098011 1433568218 /nfs/dbraw/zinc/56/82/18/1433568218.db2.gz HPSBFBSIIJDQOG-KBPBESRZSA-N 0 0 376.505 3.356 20 30 GGEDRN N#Cc1csc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(C#N)cs3)CC2)c1 ZINC000246161797 1433576468 /nfs/dbraw/zinc/57/64/68/1433576468.db2.gz RATJGRDDSCGICO-HDJSIYSDSA-N 0 0 384.486 3.024 20 30 GGEDRN C=CCOCCCC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC000246192095 1433580013 /nfs/dbraw/zinc/58/00/13/1433580013.db2.gz MGLGVBYJPAGFFF-CRAIPNDOSA-N 0 0 398.906 3.340 20 30 GGEDRN CCC[C@H](C)[C@H]1CCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000246233294 1433584816 /nfs/dbraw/zinc/58/48/16/1433584816.db2.gz FKYXCBKVXZIHJW-ZYSHUDEJSA-N 0 0 396.491 3.190 20 30 GGEDRN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H]2CC[C@@H](C#N)C2)c1 ZINC000246287210 1433590209 /nfs/dbraw/zinc/59/02/09/1433590209.db2.gz BYEJYFYDTJTWNN-OLZOCXBDSA-N 0 0 384.885 3.218 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)CNc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000246289986 1433590565 /nfs/dbraw/zinc/59/05/65/1433590565.db2.gz ULNDXUNNYLPZRF-KZNAEPCWSA-N 0 0 384.524 3.225 20 30 GGEDRN COc1cccc([C@@H]2C[C@H]2C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000246295256 1433591314 /nfs/dbraw/zinc/59/13/14/1433591314.db2.gz CRCSPALCQSRTBV-BHDDXSALSA-N 0 0 375.472 3.208 20 30 GGEDRN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCCC[C@H]2[C@H](C)O)c1C#N ZINC000246300487 1433591631 /nfs/dbraw/zinc/59/16/31/1433591631.db2.gz DOMMRPQQCKZDGI-RXVVDRJESA-N 0 0 394.519 3.199 20 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ZINC000246390865 1433605804 /nfs/dbraw/zinc/60/58/04/1433605804.db2.gz PGEKNKKNRRWLKM-MJGOQNOKSA-N 0 0 396.560 3.092 20 30 GGEDRN N#C[C@@H]1CC[C@@H](OC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)C1 ZINC000246411019 1433608902 /nfs/dbraw/zinc/60/89/02/1433608902.db2.gz MLSGBPGBCXZVQL-LXGCGDOSSA-N 0 0 376.412 3.478 20 30 GGEDRN CCSc1nn(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(=S)s1 ZINC000246432111 1433612364 /nfs/dbraw/zinc/61/23/64/1433612364.db2.gz VLIQPHGPTQFOCO-HNNXBMFYSA-N 0 0 391.591 3.454 20 30 GGEDRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)O[C@@H]3CC[C@@H](C#N)C3)cc2)C1 ZINC000246438783 1433613085 /nfs/dbraw/zinc/61/30/85/1433613085.db2.gz OJAHIMHHMRJRNJ-KYHPRHEASA-N 0 0 390.505 3.202 20 30 GGEDRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)O[C@H]3CC[C@H](C#N)C3)cc2)C1 ZINC000246438756 1433613182 /nfs/dbraw/zinc/61/31/82/1433613182.db2.gz OJAHIMHHMRJRNJ-DFGXFYAUSA-N 0 0 390.505 3.202 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)cc1OC ZINC000246450562 1433614558 /nfs/dbraw/zinc/61/45/58/1433614558.db2.gz VCUZKVGRIHGXED-YWOYERNXSA-N 0 0 391.533 3.469 20 30 GGEDRN N#C[C@@H]1CC[C@H](OC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000246457907 1433615525 /nfs/dbraw/zinc/61/55/25/1433615525.db2.gz PQQWDUJPHXQNCA-KCXAZCMYSA-N 0 0 391.265 3.289 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCC[C@H]([S@](=O)CC)C1 ZINC000246467813 1433617283 /nfs/dbraw/zinc/61/72/83/1433617283.db2.gz GONGRMAGXWPUGS-QKSGUBBWSA-N 0 0 378.538 3.473 20 30 GGEDRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)O[C@@H]1CC[C@@H](C#N)C1 ZINC000246483354 1433619459 /nfs/dbraw/zinc/61/94/59/1433619459.db2.gz RLBVLEMBBUZLKU-XNRPHZJLSA-N 0 0 376.840 3.189 20 30 GGEDRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O[C@H]2CC[C@@H](C#N)C2)c1 ZINC000246491011 1433620709 /nfs/dbraw/zinc/62/07/09/1433620709.db2.gz RWBRNVZPVPCBMA-QAPCUYQASA-N 0 0 384.457 3.361 20 30 GGEDRN C[C@](C#N)(NC(=O)CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)C1CC1 ZINC000246503302 1433622152 /nfs/dbraw/zinc/62/21/52/1433622152.db2.gz HTBKHUBEDCLKOJ-BDJLRTHQSA-N 0 0 386.443 3.150 20 30 GGEDRN Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H](C)CO1 ZINC000246503311 1433622592 /nfs/dbraw/zinc/62/25/92/1433622592.db2.gz JHPXBRJGQCQXDQ-UGSOOPFHSA-N 0 0 392.427 3.296 20 30 GGEDRN CC[C@H](C)[C@@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccccc1 ZINC000246506423 1433622616 /nfs/dbraw/zinc/62/26/16/1433622616.db2.gz SLWXBPQHUGVBKL-SQGPQFPESA-N 0 0 377.492 3.215 20 30 GGEDRN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000246504814 1433622626 /nfs/dbraw/zinc/62/26/26/1433622626.db2.gz OKINOOMEPFPIFL-CABCVRRESA-N 0 0 395.935 3.038 20 30 GGEDRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@H]1CC[C@@H](C#N)C1 ZINC000246517183 1433624369 /nfs/dbraw/zinc/62/43/69/1433624369.db2.gz ULUNSODXKKKIRS-WWGRRREGSA-N 0 0 380.897 3.427 20 30 GGEDRN CC(C)[C@H](C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1cccc(Cl)c1 ZINC000246526533 1433625887 /nfs/dbraw/zinc/62/58/87/1433625887.db2.gz UPQPRLOZOGNOJS-KXBFYZLASA-N 0 0 397.910 3.479 20 30 GGEDRN 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397.500 3.259 20 30 GGEDRN CCOC(=O)C1=C(C(C)=O)[C@H](c2scnc2C)NC(=O)N1Cc1ccccc1 ZINC000266600176 1434353130 /nfs/dbraw/zinc/35/31/30/1434353130.db2.gz ZLNHPRLZJZXBML-MRXNPFEDSA-N 0 0 399.472 3.124 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCc3occc32)cc1C(F)(F)F ZINC000266610826 1434354196 /nfs/dbraw/zinc/35/41/96/1434354196.db2.gz ZWPVNWNYTRTXNI-CQSZACIVSA-N 0 0 377.322 3.302 20 30 GGEDRN Cc1nc(C)c(CNC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)s1 ZINC000266609214 1434354258 /nfs/dbraw/zinc/35/42/58/1434354258.db2.gz FDAUGJAPTFSELU-LLVKDONJSA-N 0 0 388.518 3.267 20 30 GGEDRN COCCOC[C@H]1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000266612654 1434354687 /nfs/dbraw/zinc/35/46/87/1434354687.db2.gz IIBJAGQBDLDHQI-IRXDYDNUSA-N 0 0 391.537 3.004 20 30 GGEDRN N#CCCSc1ccccc1NC(=O)C(=O)N1CCOC2(CCCCC2)C1 ZINC000266621858 1434355404 /nfs/dbraw/zinc/35/54/04/1434355404.db2.gz BMUCQMFNJGJZMQ-UHFFFAOYSA-N 0 0 387.505 3.193 20 30 GGEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)C2CCC2)cc1 ZINC000266624938 1434355591 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3.204 20 30 GGEDRN N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000266650127 1434358939 /nfs/dbraw/zinc/35/89/39/1434358939.db2.gz KOYHMPOVXKGLBF-SJLPKXTDSA-N 0 0 379.485 3.378 20 30 GGEDRN CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CCS1 ZINC000266657076 1434359904 /nfs/dbraw/zinc/35/99/04/1434359904.db2.gz PKIMXZZDNXOQLO-HNNXBMFYSA-N 0 0 396.472 3.038 20 30 GGEDRN C[C@H](O)CC(C)(C)CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000266660676 1434360364 /nfs/dbraw/zinc/36/03/64/1434360364.db2.gz LWICUDBRPOKZQS-HNNXBMFYSA-N 0 0 395.459 3.202 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N2CCC(C(F)(F)F)CC2)cc1C(F)(F)F ZINC000266666314 1434361359 /nfs/dbraw/zinc/36/13/59/1434361359.db2.gz ZZYJHMPJEIDIIN-UHFFFAOYSA-N 0 0 393.287 3.316 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C[C@H](C)CC)cc1 ZINC000266669559 1434361711 /nfs/dbraw/zinc/36/17/11/1434361711.db2.gz IUNPWVYVJZFSNX-IAGOWNOFSA-N 0 0 385.508 3.380 20 30 GGEDRN CCOC(=O)CN(C(=O)CCCCOc1cccc(C#N)c1)c1ccc(F)cn1 ZINC000266669045 1434361735 /nfs/dbraw/zinc/36/17/35/1434361735.db2.gz OKUGTCXEXLLYPZ-UHFFFAOYSA-N 0 0 399.422 3.238 20 30 GGEDRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)Cc3ccc(OCC#N)cc3)ccc2NC1=O ZINC000266669891 1434361775 /nfs/dbraw/zinc/36/17/75/1434361775.db2.gz VDQLRICBWYRLDX-AUUYWEPGSA-N 0 0 393.443 3.118 20 30 GGEDRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3ccccc3OCC#N)ccc2NC1=O ZINC000266674693 1434362246 /nfs/dbraw/zinc/36/22/46/1434362246.db2.gz XGEYSTWEHJIEAA-CXAGYDPISA-N 0 0 379.416 3.189 20 30 GGEDRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3ccccc3OCC#N)ccc2NC1=O ZINC000266674695 1434362325 /nfs/dbraw/zinc/36/23/25/1434362325.db2.gz XGEYSTWEHJIEAA-GUYCJALGSA-N 0 0 379.416 3.189 20 30 GGEDRN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)/C=C/c2ccc(OCC#N)cc2)n1 ZINC000266675883 1434362520 /nfs/dbraw/zinc/36/25/20/1434362520.db2.gz JJBUZFZQVLKDNX-JCVNQNCUSA-N 0 0 398.463 3.377 20 30 GGEDRN CC(C)(CO)CCCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000266678031 1434362774 /nfs/dbraw/zinc/36/27/74/1434362774.db2.gz SLGXGUFDMJIDLN-UHFFFAOYSA-N 0 0 395.459 3.204 20 30 GGEDRN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000266680415 1434363188 /nfs/dbraw/zinc/36/31/88/1434363188.db2.gz KLEXCQRVYJGAAR-IFXJQAMLSA-N 0 0 381.407 3.276 20 30 GGEDRN CC[C@@H]1CN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)c2ccccc2O1 ZINC000266713887 1434366576 /nfs/dbraw/zinc/36/65/76/1434366576.db2.gz FNGQQHGTWLAWOT-GDBMZVCRSA-N 0 0 388.427 3.189 20 30 GGEDRN C[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000266725493 1434367979 /nfs/dbraw/zinc/36/79/79/1434367979.db2.gz IWAKPHIRAHDQHJ-PBHICJAKSA-N 0 0 397.479 3.343 20 30 GGEDRN C[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000266725500 1434368007 /nfs/dbraw/zinc/36/80/07/1434368007.db2.gz IWAKPHIRAHDQHJ-WMLDXEAASA-N 0 0 397.479 3.343 20 30 GGEDRN CSC1(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CCOCC1 ZINC000266725229 1434368080 /nfs/dbraw/zinc/36/80/80/1434368080.db2.gz BWDOOQAQTSWIRE-UHFFFAOYSA-N 0 0 389.521 3.023 20 30 GGEDRN COC(=O)[C@@H](NCC(=O)N(CCC#N)c1cccc(C)c1C)c1ccccc1 ZINC000266729226 1434368447 /nfs/dbraw/zinc/36/84/47/1434368447.db2.gz KFUUGYWDXMLFFZ-NRFANRHFSA-N 0 0 379.460 3.054 20 30 GGEDRN Cc1ccc(O[C@H](C)CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)cc1 ZINC000266737389 1434369403 /nfs/dbraw/zinc/36/94/03/1434369403.db2.gz QLBDZYXTQUCJCH-QGZVFWFLSA-N 0 0 395.459 3.200 20 30 GGEDRN COCCN(CCc1ccccc1)CC(=O)Nc1ccccc1SCC#N ZINC000266748783 1434370839 /nfs/dbraw/zinc/37/08/39/1434370839.db2.gz POSCLNAPSKZJLE-UHFFFAOYSA-N 0 0 383.517 3.432 20 30 GGEDRN CO[C@@H](CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)(C)C ZINC000266766174 1434372853 /nfs/dbraw/zinc/37/28/53/1434372853.db2.gz AAPPEFABDDGHIP-BBRMVZONSA-N 0 0 377.510 3.197 20 30 GGEDRN CC(C)CCOc1ccc(NC(=O)C(=O)NCc2ccc(OCC#N)cc2)cc1 ZINC000266769582 1434373407 /nfs/dbraw/zinc/37/34/07/1434373407.db2.gz AOUIWDHPNNSWMR-UHFFFAOYSA-N 0 0 395.459 3.269 20 30 GGEDRN CCC(CC)(CCO)CNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000266830566 1434379804 /nfs/dbraw/zinc/37/98/04/1434379804.db2.gz DTVLNBDAVZWPOD-OAHLLOKOSA-N 0 0 391.537 3.182 20 30 GGEDRN C[C@H](OCCCNC(=O)CN(CCC#N)Cc1ccccn1)c1ccccc1 ZINC000266847425 1434381515 /nfs/dbraw/zinc/38/15/15/1434381515.db2.gz AWSJGFOUVWMKBX-IBGZPJMESA-N 0 0 380.492 3.081 20 30 GGEDRN CCC1(CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)CCOCC1 ZINC000266849461 1434381563 /nfs/dbraw/zinc/38/15/63/1434381563.db2.gz INOQHWKQHPKIKY-OAHLLOKOSA-N 0 0 389.521 3.342 20 30 GGEDRN CCC1(CNC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)CCOCC1 ZINC000266849460 1434381696 /nfs/dbraw/zinc/38/16/96/1434381696.db2.gz INOQHWKQHPKIKY-HNNXBMFYSA-N 0 0 389.521 3.342 20 30 GGEDRN CC(=O)c1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000266871917 1434383720 /nfs/dbraw/zinc/38/37/20/1434383720.db2.gz YAKATRNJTVERGV-UHFFFAOYSA-N 0 0 375.428 3.252 20 30 GGEDRN CO[C@]1(C)C[C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C1(C)C ZINC000266928249 1434389570 /nfs/dbraw/zinc/38/95/70/1434389570.db2.gz ZZBHYQDKAMSHNG-OWDMVUQNSA-N 0 0 389.521 3.197 20 30 GGEDRN 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391.475 3.083 20 30 GGEDRN COc1cccc(C2(NC(=O)C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CC2)c1 ZINC000277579654 1435314084 /nfs/dbraw/zinc/31/40/84/1435314084.db2.gz RIQXJGBGEPXOSQ-UHFFFAOYSA-N 0 0 393.443 3.098 20 30 GGEDRN N#CCOc1cccc(CC(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c1 ZINC000277604710 1435315833 /nfs/dbraw/zinc/31/58/33/1435315833.db2.gz QGNSIVHZELMJGX-JTHBVZDNSA-N 0 0 396.462 3.161 20 30 GGEDRN Cc1ccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)cc1OC(F)F ZINC000277605801 1435315843 /nfs/dbraw/zinc/31/58/43/1435315843.db2.gz USFGDSCYXBZFCP-UHFFFAOYSA-N 0 0 385.370 3.212 20 30 GGEDRN CC(=O)Nc1ccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1F ZINC000277615841 1435316623 /nfs/dbraw/zinc/31/66/23/1435316623.db2.gz WCKLNJTYGDXLDE-UHFFFAOYSA-N 0 0 381.407 3.339 20 30 GGEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[S@](=O)C[C@@H](C)C2)cc1 ZINC000277626132 1435317389 /nfs/dbraw/zinc/31/73/89/1435317389.db2.gz RDKMZHMZBKKWSO-QZXCRCNTSA-N 0 0 382.485 3.500 20 30 GGEDRN N#Cc1cccc(C2(NC(=O)C(=O)Nc3ccc(OCC4CC4)cc3)CC2)c1 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WJZJCYVGTYJDKL-LLVKDONJSA-N 0 0 380.400 3.227 20 30 GGEDRN N#Cc1cccc(NC(=O)C2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)c1 ZINC000278455090 1435392056 /nfs/dbraw/zinc/39/20/56/1435392056.db2.gz SDPSUGUJDQKBKP-UHFFFAOYSA-N 0 0 391.431 3.290 20 30 GGEDRN Cc1cnc(C2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)s1 ZINC000278469438 1435393244 /nfs/dbraw/zinc/39/32/44/1435393244.db2.gz JQZPTRBSPHKYBF-UHFFFAOYSA-N 0 0 388.880 3.321 20 30 GGEDRN Cc1ccc([C@H](O)CNc2ccc(C#N)c(NC[C@@H](O)c3ccc(C)o3)n2)o1 ZINC000278468831 1435393365 /nfs/dbraw/zinc/39/33/65/1435393365.db2.gz UHIGGYTZLWOQRK-HZPDHXFCSA-N 0 0 382.420 3.047 20 30 GGEDRN Cc1cnc(C2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)CC2)s1 ZINC000278471271 1435393443 /nfs/dbraw/zinc/39/34/43/1435393443.db2.gz WUIKFCFJZIFBIZ-UHFFFAOYSA-N 0 0 388.880 3.321 20 30 GGEDRN CCn1c(COc2ccc(C)cc2)nnc1S(=O)(=O)Cc1ccccc1C#N ZINC000278495945 1435395149 /nfs/dbraw/zinc/39/51/49/1435395149.db2.gz BXRGJDBTRRAZBV-UHFFFAOYSA-N 0 0 396.472 3.031 20 30 GGEDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCN(CC(F)F)CC1 ZINC000278501388 1435395330 /nfs/dbraw/zinc/39/53/30/1435395330.db2.gz QOKDMZJERTTWTC-UHFFFAOYSA-N 0 0 390.259 3.031 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000278508207 1435395938 /nfs/dbraw/zinc/39/59/38/1435395938.db2.gz MNAFXPPYBGOCAI-CYBMUJFWSA-N 0 0 391.435 3.328 20 30 GGEDRN N#Cc1cc(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)ccc1F ZINC000278512195 1435396292 /nfs/dbraw/zinc/39/62/92/1435396292.db2.gz BOSXLVPNNKQBBN-QGZVFWFLSA-N 0 0 382.395 3.250 20 30 GGEDRN CCc1cnc(CN(C)C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)s1 ZINC000278530299 1435397644 /nfs/dbraw/zinc/39/76/44/1435397644.db2.gz DZLWNDWRZAWOHQ-GFCCVEGCSA-N 0 0 392.506 3.055 20 30 GGEDRN Cc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1OC(C)C ZINC000278536226 1435397998 /nfs/dbraw/zinc/39/79/98/1435397998.db2.gz RFTMNDRPORQCKW-UHFFFAOYSA-N 0 0 386.473 3.207 20 30 GGEDRN COCCC1(CNC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CCCC1 ZINC000278542798 1435398654 /nfs/dbraw/zinc/39/86/54/1435398654.db2.gz GOTXRUYQBCIQQS-OAHLLOKOSA-N 0 0 393.509 3.091 20 30 GGEDRN CC[C@](C)(NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)c1nccs1 ZINC000278544198 1435398754 /nfs/dbraw/zinc/39/87/54/1435398754.db2.gz GRUNCERTNAWFHZ-PXAZEXFGSA-N 0 0 392.506 3.276 20 30 GGEDRN CCOCCCn1c2nnc(S[C@H]3CC[C@@H](C#N)C3)n2c2ccccc2c1=O ZINC000278549259 1435399306 /nfs/dbraw/zinc/39/93/06/1435399306.db2.gz LFFHRWAXIJAWTE-CABCVRRESA-N 0 0 397.504 3.255 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)[C@@H]3CCCC[C@H]32)cc1 ZINC000278564222 1435400214 /nfs/dbraw/zinc/40/02/14/1435400214.db2.gz IQJRLYBXTKRJFI-KJWYOANISA-N 0 0 375.494 3.415 20 30 GGEDRN Cc1[nH]nc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)c1C#N ZINC000278563757 1435400303 /nfs/dbraw/zinc/40/03/03/1435400303.db2.gz HTFVQWKUXVUMML-INIZCTEOSA-N 0 0 387.443 3.234 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(c3ccccc3)CC2)cc1 ZINC000278569882 1435401138 /nfs/dbraw/zinc/40/11/38/1435401138.db2.gz JEYAQKQMLRXSES-OAHLLOKOSA-N 0 0 383.473 3.226 20 30 GGEDRN NC(=NOCc1nnc2n1CCCCC2)c1ccc(Oc2ccc(F)cc2)nc1 ZINC000278576061 1435401420 /nfs/dbraw/zinc/40/14/20/1435401420.db2.gz FHMBQSYIUCVHSP-UHFFFAOYSA-N 0 0 396.426 3.168 20 30 GGEDRN C#CCOc1ccc([C@@H](C)Nc2cnn(Cc3nnc4n3CCCC4)c2)cc1 ZINC000278574732 1435401461 /nfs/dbraw/zinc/40/14/61/1435401461.db2.gz XQUISTXKPYSBEU-MRXNPFEDSA-N 0 0 376.464 3.044 20 30 GGEDRN COC(=O)c1c[nH]c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 ZINC000278578024 1435401827 /nfs/dbraw/zinc/40/18/27/1435401827.db2.gz FJUICPOMHWQLCJ-AWEZNQCLSA-N 0 0 386.477 3.241 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)n1 ZINC000278598505 1435404037 /nfs/dbraw/zinc/40/40/37/1435404037.db2.gz FDDFUNFMSSAMDU-UHFFFAOYSA-N 0 0 376.464 3.373 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)n1 ZINC000278603741 1435404406 /nfs/dbraw/zinc/40/44/06/1435404406.db2.gz ALUKKNNTYYLYEC-UHFFFAOYSA-N 0 0 394.454 3.022 20 30 GGEDRN Cc1[nH]nc(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c1C#N ZINC000278657714 1435411299 /nfs/dbraw/zinc/41/12/99/1435411299.db2.gz PEPNIBHRVVYJSX-KBPBESRZSA-N 0 0 395.463 3.010 20 30 GGEDRN C#CC[C@]1(C(=O)Nc2cc(C(=O)NC)ccc2C)CCCN1C(=O)OC(C)(C)C ZINC000278663231 1435411322 /nfs/dbraw/zinc/41/13/22/1435411322.db2.gz PNRSOJRAPYNRMK-JOCHJYFZSA-N 0 0 399.491 3.086 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)cc1 ZINC000278714145 1435416467 /nfs/dbraw/zinc/41/64/67/1435416467.db2.gz UOJPXIIOHJRKPM-WBVHZDCISA-N 0 0 383.473 3.394 20 30 GGEDRN N#Cc1ccc(CN2CCCN(C(=O)c3ccc(NCC4CC4)nc3)CC2)cc1 ZINC000278717430 1435416646 /nfs/dbraw/zinc/41/66/46/1435416646.db2.gz SMRAAOFKJUGJIG-UHFFFAOYSA-N 0 0 389.503 3.123 20 30 GGEDRN Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(F)c1Cl ZINC000278719347 1435416908 /nfs/dbraw/zinc/41/69/08/1435416908.db2.gz LGZBXCMZXXTBJW-MRXNPFEDSA-N 0 0 385.826 3.190 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)N1CCC(Oc2ncccc2F)CC1 ZINC000278732310 1435418439 /nfs/dbraw/zinc/41/84/39/1435418439.db2.gz RXPNDJALABNFIN-UHFFFAOYSA-N 0 0 399.426 3.374 20 30 GGEDRN Cc1[nH]nc(NC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c1C#N ZINC000278741156 1435419190 /nfs/dbraw/zinc/41/91/90/1435419190.db2.gz VZFXQCKCMFQVOR-FQEVSTJZSA-N 0 0 389.459 3.065 20 30 GGEDRN CCCCCCC[C@H](C)CNC(=O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000278744174 1435419381 /nfs/dbraw/zinc/41/93/81/1435419381.db2.gz AFFVHVHUJDLVRO-RDJZCZTQSA-N 0 0 378.517 3.323 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000278748621 1435419666 /nfs/dbraw/zinc/41/96/66/1435419666.db2.gz JHKKWJIRIYYSDG-IEBWSBKVSA-N 0 0 397.475 3.432 20 30 GGEDRN C#Cc1cccc(N(C)C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)c1 ZINC000278749854 1435419667 /nfs/dbraw/zinc/41/96/67/1435419667.db2.gz SGNTZMKISKQZBG-INIZCTEOSA-N 0 0 394.475 3.392 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](O)Cc2ccccc21 ZINC000278769936 1435422064 /nfs/dbraw/zinc/42/20/64/1435422064.db2.gz CFNPUFZKRVKDIH-RDJZCZTQSA-N 0 0 381.501 3.443 20 30 GGEDRN CO[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000278777766 1435422657 /nfs/dbraw/zinc/42/26/57/1435422657.db2.gz XBUBCXRWNDQYLO-NVXWUHKLSA-N 0 0 398.463 3.096 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccc(C(C)(C)C(=O)OC)cc2)n1 ZINC000278781985 1435423219 /nfs/dbraw/zinc/42/32/19/1435423219.db2.gz LTYZKPXURDWVCU-UHFFFAOYSA-N 0 0 382.464 3.021 20 30 GGEDRN C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000278781490 1435423226 /nfs/dbraw/zinc/42/32/26/1435423226.db2.gz WXECWRYEWBQYRJ-VIFPVBQESA-N 0 0 393.312 3.048 20 30 GGEDRN C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2cc(Cl)cn2C)cc1 ZINC000278782555 1435423228 /nfs/dbraw/zinc/42/32/28/1435423228.db2.gz ZPAKMPFKVBMEQX-LBPRGKRZSA-N 0 0 394.884 3.028 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1 ZINC000278785280 1435423489 /nfs/dbraw/zinc/42/34/89/1435423489.db2.gz MDBAWRMMYYFYBK-NJDAHSKKSA-N 0 0 384.520 3.269 20 30 GGEDRN C[C@@H]1C[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC000278815989 1435426458 /nfs/dbraw/zinc/42/64/58/1435426458.db2.gz UDZGWBROHQDGDJ-CRAIPNDOSA-N 0 0 386.496 3.488 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccc(C(=O)N(CC)CC)cc2)n1 ZINC000278829191 1435427964 /nfs/dbraw/zinc/42/79/64/1435427964.db2.gz JXIQNOTWCBIQGJ-UHFFFAOYSA-N 0 0 381.480 3.052 20 30 GGEDRN CC(C)(C#N)CC(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000278829519 1435428002 /nfs/dbraw/zinc/42/80/02/1435428002.db2.gz UWYRLQAUWZYZCO-OAHLLOKOSA-N 0 0 381.398 3.252 20 30 GGEDRN C#CCn1ccc(CN(CC)c2ncc(C(=O)N3CCCCC3)cc2Cl)n1 ZINC000278852084 1435431123 /nfs/dbraw/zinc/43/11/23/1435431123.db2.gz LWRPYVBXVRSMEO-UHFFFAOYSA-N 0 0 385.899 3.217 20 30 GGEDRN C#CCn1ccc(CN(CC)c2ncccc2C(=O)N2CCc3ccccc32)n1 ZINC000278875452 1435434033 /nfs/dbraw/zinc/43/40/33/1435434033.db2.gz NZKNBICOKLJMHJ-UHFFFAOYSA-N 0 0 385.471 3.141 20 30 GGEDRN Cc1oc(NC(=O)CN2CCC(c3ncc4n3CCCC4)CC2)c(C#N)c1C ZINC000278883746 1435435229 /nfs/dbraw/zinc/43/52/29/1435435229.db2.gz NKNNBEVWBWPEAP-UHFFFAOYSA-N 0 0 381.480 3.119 20 30 GGEDRN Cc1cc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)nn1CCC#N ZINC000278912185 1435438841 /nfs/dbraw/zinc/43/88/41/1435438841.db2.gz VVGAZNKAGOVCQE-UHFFFAOYSA-N 0 0 383.427 3.371 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2cccc(C(=O)N(CCC)CCC)c2)n1 ZINC000278910992 1435438856 /nfs/dbraw/zinc/43/88/56/1435438856.db2.gz HHMUCPHUEILCKY-UHFFFAOYSA-N 0 0 394.519 3.441 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)n1 ZINC000278917920 1435439706 /nfs/dbraw/zinc/43/97/06/1435439706.db2.gz IBRZPKFXKFYJBD-OAQYLSRUSA-N 0 0 394.519 3.018 20 30 GGEDRN N#Cc1cccc(-c2cc(C(=O)N3CCC(CN4CCCCC4=O)CC3)on2)c1 ZINC000278921849 1435440337 /nfs/dbraw/zinc/44/03/37/1435440337.db2.gz BHXCCELGYOYFED-UHFFFAOYSA-N 0 0 392.459 3.078 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC000278925069 1435440652 /nfs/dbraw/zinc/44/06/52/1435440652.db2.gz JAHNSOVATHAZSF-UHFFFAOYSA-N 0 0 396.491 3.455 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)n1 ZINC000278936932 1435442081 /nfs/dbraw/zinc/44/20/81/1435442081.db2.gz KMLMJBVEMNBLPW-CMDGGOBGSA-N 0 0 387.915 3.393 20 30 GGEDRN CCn1nccc1C1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000278935558 1435442131 /nfs/dbraw/zinc/44/21/31/1435442131.db2.gz XVPLDPCXXXJGIK-UHFFFAOYSA-N 0 0 382.468 3.392 20 30 GGEDRN C=CCN(C(=O)CCC[C@@H](C)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000278940513 1435442857 /nfs/dbraw/zinc/44/28/57/1435442857.db2.gz FKZDDQWOPWSMLC-SJLPKXTDSA-N 0 0 379.522 3.171 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)n1 ZINC000278948060 1435444072 /nfs/dbraw/zinc/44/40/72/1435444072.db2.gz WZYMYJBQOYHANW-UHFFFAOYSA-N 0 0 399.882 3.351 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2cc(OCC)c(OCC)c(OCC)c2)n1 ZINC000278967253 1435446445 /nfs/dbraw/zinc/44/64/45/1435446445.db2.gz OAEYXXLFKAITME-UHFFFAOYSA-N 0 0 399.491 3.375 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(C2CCC2)cc1 ZINC000278974078 1435447665 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GGEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@]1(O)CCO[C@@H]1C ZINC000279002186 1435450917 /nfs/dbraw/zinc/45/09/17/1435450917.db2.gz FZISBEQENRFXPD-VFNWGFHPSA-N 0 0 381.432 3.320 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)C2(c3ccccc3Cl)CCOCC2)n1 ZINC000279016042 1435452233 /nfs/dbraw/zinc/45/22/33/1435452233.db2.gz AAOWKKOZYQGUFQ-UHFFFAOYSA-N 0 0 385.895 3.267 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)Nc2cc([C@@H]3CCCO3)nn2C)cc1C#N ZINC000279021780 1435452944 /nfs/dbraw/zinc/45/29/44/1435452944.db2.gz PMDFGTZIIKWUSG-INIZCTEOSA-N 0 0 398.423 3.356 20 30 GGEDRN CCc1cccc2c1OCC[C@H]2NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000279029646 1435453808 /nfs/dbraw/zinc/45/38/08/1435453808.db2.gz HRQPZRWLYCSWAJ-QGZVFWFLSA-N 0 0 394.475 3.256 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2cccc(-n3nc(C)cc3C)c2)n1 ZINC000279034955 1435454230 /nfs/dbraw/zinc/45/42/30/1435454230.db2.gz IVVVTTUTWLSMAB-UHFFFAOYSA-N 0 0 376.464 3.373 20 30 GGEDRN COCCn1cc(CNc2nnc(SCc3ccc(C#N)cc3)s2)cn1 ZINC000279038841 1435454678 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398.463 3.144 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)n2)n1 ZINC000279209562 1435471919 /nfs/dbraw/zinc/47/19/19/1435471919.db2.gz WLRIBBCXMFGKAF-UHFFFAOYSA-N 0 0 381.867 3.326 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)Cc2cc(OC)c(O)c(OC)c2)cc1 ZINC000279210429 1435472018 /nfs/dbraw/zinc/47/20/18/1435472018.db2.gz KXGOXJGSBRPFAS-UHFFFAOYSA-N 0 0 384.432 3.297 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)CSc2nc3ccccc3n2CC)n1 ZINC000279213778 1435472550 /nfs/dbraw/zinc/47/25/50/1435472550.db2.gz XCAYCDXNSUUCGS-UHFFFAOYSA-N 0 0 381.505 3.027 20 30 GGEDRN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)C(=O)Nc3cccc(OCC#N)c3)C2)cc1 ZINC000279217695 1435472789 /nfs/dbraw/zinc/47/27/89/1435472789.db2.gz OTORNJIYAYSMGQ-FUHWJXTLSA-N 0 0 377.444 3.241 20 30 GGEDRN Cc1ccc([C@H]2C[C@@H](C)N(C(=O)C(=O)Nc3cccc(OCC#N)c3)C2)cc1 ZINC000279217684 1435472868 /nfs/dbraw/zinc/47/28/68/1435472868.db2.gz OTORNJIYAYSMGQ-AEFFLSMTSA-N 0 0 377.444 3.241 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2c(C)nc(-c3ccco3)nc2SC)n1 ZINC000279230522 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C[C@H]1OCC[C@]12CN(C(=O)c1cccc(COc3cccc(C#N)c3)c1)CCO2 ZINC000279307838 1435484717 /nfs/dbraw/zinc/48/47/17/1435484717.db2.gz CHBUUCMTLUORRN-HXOBKFHXSA-N 0 0 392.455 3.157 20 30 GGEDRN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000279310573 1435485004 /nfs/dbraw/zinc/48/50/04/1435485004.db2.gz WLSSGAOSWMRHBJ-YJBOKZPZSA-N 0 0 394.475 3.370 20 30 GGEDRN C[C@H]1OCC[C@@]12CN(C(=O)c1cccc(COc3ccccc3C#N)c1)CCO2 ZINC000279318860 1435485890 /nfs/dbraw/zinc/48/58/90/1435485890.db2.gz DCSGVZIWWUSCCD-UZUQRXQVSA-N 0 0 392.455 3.157 20 30 GGEDRN C[C@@H]1CN(c2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000279332327 1435487582 /nfs/dbraw/zinc/48/75/82/1435487582.db2.gz OYJLMZDQZLOJKP-FUHIMQAGSA-N 0 0 388.471 3.493 20 30 GGEDRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(F)c(C#N)c2)c1C ZINC000279336518 1435488182 /nfs/dbraw/zinc/48/81/82/1435488182.db2.gz DFBMKOFSMPPLAA-GOSISDBHSA-N 0 0 383.448 3.468 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)N[C@@H](Cc2ccccc2OC)C(C)C)n1 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LSMZSLKNHSFZTG-UHFFFAOYSA-N 0 0 392.227 3.456 20 30 GGEDRN C[C@@H]1OCC[C@@]1(O)CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000279576435 1435515068 /nfs/dbraw/zinc/51/50/68/1435515068.db2.gz TZEMOXISIDXRSU-RNODOKPDSA-N 0 0 386.835 3.274 20 30 GGEDRN N#CCCN(C(=O)CCC(=O)Nc1cccc(N2CCC2=O)c1)c1ccccc1 ZINC000279583566 1435515906 /nfs/dbraw/zinc/51/59/06/1435515906.db2.gz NIGKNQLBUONGNK-UHFFFAOYSA-N 0 0 390.443 3.089 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1OC ZINC000279593664 1435517133 /nfs/dbraw/zinc/51/71/33/1435517133.db2.gz FUBNBICBHAVSHG-LPULASQFSA-N 0 0 387.476 3.068 20 30 GGEDRN N#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000279596807 1435517353 /nfs/dbraw/zinc/51/73/53/1435517353.db2.gz MZKKHORNZGJGFA-MAUKXSAKSA-N 0 0 381.407 3.119 20 30 GGEDRN N#CCOc1cccc(NC(=O)C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000279596809 1435517373 /nfs/dbraw/zinc/51/73/73/1435517373.db2.gz MZKKHORNZGJGFA-YJBOKZPZSA-N 0 0 381.407 3.119 20 30 GGEDRN 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380.558 3.423 20 30 GGEDRN N#Cc1cccc(OCCCCC(=O)NC2CCN(c3nccs3)CC2)c1 ZINC000281326183 1435803879 /nfs/dbraw/zinc/80/38/79/1435803879.db2.gz QIPFOOHHVWTZPN-UHFFFAOYSA-N 0 0 384.505 3.349 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000281326231 1435803907 /nfs/dbraw/zinc/80/39/07/1435803907.db2.gz JBSWCBCFTBIUGM-BLLLJJGKSA-N 0 0 391.518 3.097 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000281332892 1435804096 /nfs/dbraw/zinc/80/40/96/1435804096.db2.gz COKPLGOBCHJICP-XLIONFOSSA-N 0 0 383.492 3.333 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)C1=O ZINC000281334046 1435804222 /nfs/dbraw/zinc/80/42/22/1435804222.db2.gz KFUFWZFTYRNCMS-QGZVFWFLSA-N 0 0 388.468 3.142 20 30 GGEDRN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000281337697 1435804434 /nfs/dbraw/zinc/80/44/34/1435804434.db2.gz COCXNLOCFGBKRA-SFHVURJKSA-N 0 0 391.471 3.299 20 30 GGEDRN CCOc1ccc([C@@H]2C[C@H]2NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)cc1 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IGXLGYNUAPLUEX-CYBMUJFWSA-N 0 0 379.888 3.135 20 30 GGEDRN CC(C)(CO)[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000281404637 1435807499 /nfs/dbraw/zinc/80/74/99/1435807499.db2.gz CHBFOUVOHFPYDH-NHCUHLMSSA-N 0 0 375.472 3.159 20 30 GGEDRN COC(=O)c1cccc(NC(=O)Nc2cc(C)n(CCC#N)n2)c1OC(C)C ZINC000281405190 1435807504 /nfs/dbraw/zinc/80/75/04/1435807504.db2.gz XARQWQQRSRKFSQ-UHFFFAOYSA-N 0 0 385.424 3.323 20 30 GGEDRN C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)N1CCCC1 ZINC000281408592 1435807616 /nfs/dbraw/zinc/80/76/16/1435807616.db2.gz PMFWSMBNWRMUNH-HNNXBMFYSA-N 0 0 378.432 3.483 20 30 GGEDRN COC(=O)c1cccc(NC(=O)NCc2ccc(OCC#N)cc2)c1OC(C)C ZINC000281410442 1435807792 /nfs/dbraw/zinc/80/77/92/1435807792.db2.gz XWOSWIXPGSILCL-UHFFFAOYSA-N 0 0 397.431 3.484 20 30 GGEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)C(C)C ZINC000281418184 1435808160 /nfs/dbraw/zinc/80/81/60/1435808160.db2.gz DKDAOBYCPLPDCU-HXUWFJFHSA-N 0 0 389.455 3.158 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)C1=O ZINC000281423727 1435808296 /nfs/dbraw/zinc/80/82/96/1435808296.db2.gz QHENCAJBIZQPAB-AWEZNQCLSA-N 0 0 393.365 3.219 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000281435522 1435808807 /nfs/dbraw/zinc/80/88/07/1435808807.db2.gz NWTOIIVNRGUSER-IFXJQAMLSA-N 0 0 386.473 3.179 20 30 GGEDRN Cc1ccc2c(c1)scc2C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000281435855 1435808850 /nfs/dbraw/zinc/80/88/50/1435808850.db2.gz JSTJRNRCWFDRQL-AWEZNQCLSA-N 0 0 377.473 3.222 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccccc1CS(=O)(=O)c1ccccc1 ZINC000281447379 1435809350 /nfs/dbraw/zinc/80/93/50/1435809350.db2.gz OJQKNQOHTCJUQG-LAUBAEHRSA-N 0 0 399.512 3.372 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CSc1nccn1-c1ccc(OC)cc1 ZINC000281449841 1435809411 /nfs/dbraw/zinc/80/94/11/1435809411.db2.gz OOLRXHDLDMRLSM-DNVCBOLYSA-N 0 0 387.505 3.070 20 30 GGEDRN N#CC1(CCCN2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)CCOCC1 ZINC000281467021 1435810153 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GGEDRN C=CCn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000282133877 1435835956 /nfs/dbraw/zinc/83/59/56/1435835956.db2.gz AXAFZNBMAVIHFD-LSDHHAIUSA-N 0 0 379.464 3.248 20 30 GGEDRN C=CCn1c(CC2CC2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000282133942 1435835963 /nfs/dbraw/zinc/83/59/63/1435835963.db2.gz AXGPPLBQLBWJSV-UHFFFAOYSA-N 0 0 398.486 3.346 20 30 GGEDRN C=CCn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000282141656 1435836231 /nfs/dbraw/zinc/83/62/31/1435836231.db2.gz BKIRIXJYCDGFLK-HNNXBMFYSA-N 0 0 375.517 3.425 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)O[C@H](COC)C1 ZINC000282143806 1435836252 /nfs/dbraw/zinc/83/62/52/1435836252.db2.gz BQDXWRXWGXLVMO-HIFRSBDPSA-N 0 0 392.887 3.033 20 30 GGEDRN C=CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000282149974 1435836536 /nfs/dbraw/zinc/83/65/36/1435836536.db2.gz CBCVGXMPEBFYQF-UHFFFAOYSA-N 0 0 394.323 3.186 20 30 GGEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@@H]2CCCC(F)(F)C2)CC1 ZINC000282157578 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/nfs/dbraw/zinc/83/78/45/1435837845.db2.gz GDWXUHYWXMYKAX-UHFFFAOYSA-N 0 0 379.464 3.064 20 30 GGEDRN C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](COC)C1 ZINC000282194527 1435837918 /nfs/dbraw/zinc/83/79/18/1435837918.db2.gz GOPQGRAFICHABW-INIZCTEOSA-N 0 0 386.496 3.401 20 30 GGEDRN C=CCn1c(-c2ccccn2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000282202087 1435838140 /nfs/dbraw/zinc/83/81/40/1435838140.db2.gz HCVXZGNIWWCSPF-JKSUJKDBSA-N 0 0 398.511 3.266 20 30 GGEDRN C=CCn1c(CSc2ccccc2OC)nnc1N(C)Cc1cnn(C)c1 ZINC000282218644 1435838902 /nfs/dbraw/zinc/83/89/02/1435838902.db2.gz ILDYGMNJJGKMLB-UHFFFAOYSA-N 0 0 384.509 3.135 20 30 GGEDRN COc1cc(C#N)ccc1Oc1ccc(NS(=O)(=O)C[C@@H](C)OC)cc1 ZINC000282220433 1435838945 /nfs/dbraw/zinc/83/89/45/1435838945.db2.gz NXSDOKJCGKUZHD-CYBMUJFWSA-N 0 0 376.434 3.136 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC000282224957 1435839142 /nfs/dbraw/zinc/83/91/42/1435839142.db2.gz IWFAIOMCYUHKDO-LBPRGKRZSA-N 0 0 377.851 3.015 20 30 GGEDRN C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000282225339 1435839148 /nfs/dbraw/zinc/83/91/48/1435839148.db2.gz BGSQHMJMGBCMFO-RDTXWAMCSA-N 0 0 392.912 3.087 20 30 GGEDRN C=CCn1c(COc2ccccc2F)nnc1N(C)Cc1ncc(Cl)n1C ZINC000282229040 1435839254 /nfs/dbraw/zinc/83/92/54/1435839254.db2.gz JHBMHRMKOJUEEK-UHFFFAOYSA-N 0 0 390.850 3.206 20 30 GGEDRN C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CCc1cnccn1 ZINC000282226966 1435839277 /nfs/dbraw/zinc/83/92/77/1435839277.db2.gz JDEOVNSRRXYRGZ-HNNXBMFYSA-N 0 0 382.443 3.212 20 30 GGEDRN C=CCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000282227024 1435839302 /nfs/dbraw/zinc/83/93/02/1435839302.db2.gz JECZHCXWIYOLLQ-IBGZPJMESA-N 0 0 377.448 3.113 20 30 GGEDRN C=CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000282236931 1435839673 /nfs/dbraw/zinc/83/96/73/1435839673.db2.gz JUVNSOTWVRSRLW-INIZCTEOSA-N 0 0 385.487 3.259 20 30 GGEDRN O=C(NC[C@@H]1CCCC(F)(F)C1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000282242728 1435839695 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GGEDRN C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(c2ccccc2)C1 ZINC000282245485 1435840036 /nfs/dbraw/zinc/84/00/36/1435840036.db2.gz KIZJSWOQRAGDOK-JOCHJYFZSA-N 0 0 379.508 3.258 20 30 GGEDRN COc1ccc(CN[C@]2(CO)CCOc3ccccc32)cc1OCCCC#N ZINC000282249105 1435840083 /nfs/dbraw/zinc/84/00/83/1435840083.db2.gz GLXPWLRHVARFPR-QFIPXVFZSA-N 0 0 382.460 3.138 20 30 GGEDRN C=CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000282249978 1435840127 /nfs/dbraw/zinc/84/01/27/1435840127.db2.gz KSBDWSRTFSANMC-UHFFFAOYSA-N 0 0 396.539 3.135 20 30 GGEDRN C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCC2(CCOCC2)C1 ZINC000282250164 1435840131 /nfs/dbraw/zinc/84/01/31/1435840131.db2.gz KTMQTXRUJDAAEX-LJQANCHMSA-N 0 0 396.491 3.374 20 30 GGEDRN C#C[C@@H](NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])C(C)C ZINC000282253503 1435840225 /nfs/dbraw/zinc/84/02/25/1435840225.db2.gz VWXWJBMKWHAHBN-CQSZACIVSA-N 0 0 389.433 3.027 20 30 GGEDRN C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](COC)C1 ZINC000282256481 1435840310 /nfs/dbraw/zinc/84/03/10/1435840310.db2.gz LEXNLHANGVCJTL-QZTJIDSGSA-N 0 0 386.496 3.073 20 30 GGEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCC(F)(F)C2)c1 ZINC000282259062 1435840479 /nfs/dbraw/zinc/84/04/79/1435840479.db2.gz ULDZRORWAUBBID-GHOZOMOVSA-N 0 0 399.463 3.263 20 30 GGEDRN C=CCn1c([C@@H](C)OCCOC)nnc1N(C)CCOc1ccccc1Cl ZINC000282261165 1435840644 /nfs/dbraw/zinc/84/06/44/1435840644.db2.gz LOGKBHJKSCZAAR-OAHLLOKOSA-N 0 0 394.903 3.357 20 30 GGEDRN C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC(F)F)CC1 ZINC000282263589 1435840706 /nfs/dbraw/zinc/84/07/06/1435840706.db2.gz LSNOHSYBEICJHM-CQSZACIVSA-N 0 0 395.429 3.130 20 30 GGEDRN Cc1csc(NC(=O)CS[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000282268961 1435840897 /nfs/dbraw/zinc/84/08/97/1435840897.db2.gz UYBRXKRUSUNCCF-OAHLLOKOSA-N 0 0 386.502 3.191 20 30 GGEDRN C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CCc1cnccn1 ZINC000282278057 1435841301 /nfs/dbraw/zinc/84/13/01/1435841301.db2.gz MRQMIDVDFKFHKE-HNNXBMFYSA-N 0 0 382.443 3.212 20 30 GGEDRN C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC000282278403 1435841307 /nfs/dbraw/zinc/84/13/07/1435841307.db2.gz MTCVJFSYBOWWOP-QZTJIDSGSA-N 0 0 397.523 3.183 20 30 GGEDRN C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC000282278504 1435841309 /nfs/dbraw/zinc/84/13/09/1435841309.db2.gz MTNHTYLAWZWKGF-HSZRJFAPSA-N 0 0 389.503 3.171 20 30 GGEDRN C#CCn1ccc(CN(CC)Cc2cnc(NC(=O)OC(C)(C)C)s2)n1 ZINC000282278241 1435841338 /nfs/dbraw/zinc/84/13/38/1435841338.db2.gz DTLYGZSYVZOKHG-UHFFFAOYSA-N 0 0 375.498 3.342 20 30 GGEDRN C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(C)C)cc1 ZINC000282280324 1435841401 /nfs/dbraw/zinc/84/14/01/1435841401.db2.gz MXWJVFAOIZCLNG-GOSISDBHSA-N 0 0 388.537 3.126 20 30 GGEDRN C=CCn1c(-c2ccccc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC000282280129 1435841433 /nfs/dbraw/zinc/84/14/33/1435841433.db2.gz MWFZGEASEOBSOA-UHFFFAOYSA-N 0 0 385.475 3.033 20 30 GGEDRN COc1cc(CN2CCCN(C(=O)CCc3ccccc3)CC2)ccc1C#N ZINC000282281037 1435841437 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ZINC000282627183 1435854285 /nfs/dbraw/zinc/85/42/85/1435854285.db2.gz OQQPEZGBJXUCDP-GCJKJVERSA-N 0 0 398.507 3.044 20 30 GGEDRN C=CCn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC000282631711 1435854408 /nfs/dbraw/zinc/85/44/08/1435854408.db2.gz OYEZDTKQNWUEQQ-OAHLLOKOSA-N 0 0 384.509 3.372 20 30 GGEDRN C=CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000282633830 1435854471 /nfs/dbraw/zinc/85/44/71/1435854471.db2.gz PFUZBFNALAPJRX-IYBDPMFKSA-N 0 0 390.491 3.097 20 30 GGEDRN C=CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@H]2CCC[C@@H]2C1 ZINC000282633826 1435854494 /nfs/dbraw/zinc/85/44/94/1435854494.db2.gz PFUZBFNALAPJRX-HZPDHXFCSA-N 0 0 390.491 3.097 20 30 GGEDRN C=CCCO[C@@H](C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccncc1 ZINC000282636451 1435854599 /nfs/dbraw/zinc/85/45/99/1435854599.db2.gz KDICPBKIQINCFL-WMZOPIPTSA-N 0 0 389.496 3.183 20 30 GGEDRN C=CCn1c(-c2cccn2C)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000282653937 1435855237 /nfs/dbraw/zinc/85/52/37/1435855237.db2.gz QRAGTUZBCDSDCF-GOSISDBHSA-N 0 0 385.512 3.024 20 30 GGEDRN C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](COCCOC)C1 ZINC000282659309 1435855488 /nfs/dbraw/zinc/85/54/88/1435855488.db2.gz RCLQOAULNQKASO-UYAOXDASSA-N 0 0 384.524 3.495 20 30 GGEDRN C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](COCCOC)C1 ZINC000282659302 1435855521 /nfs/dbraw/zinc/85/55/21/1435855521.db2.gz RCLQOAULNQKASO-ICSRJNTNSA-N 0 0 384.524 3.495 20 30 GGEDRN C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](COCCOC)C1 ZINC000282659305 1435855526 /nfs/dbraw/zinc/85/55/26/1435855526.db2.gz RCLQOAULNQKASO-QUCCMNQESA-N 0 0 384.524 3.495 20 30 GGEDRN C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ncsc1C(F)(F)F ZINC000282664871 1435855600 /nfs/dbraw/zinc/85/56/00/1435855600.db2.gz OGKSUSLFGMKQRQ-UHFFFAOYSA-N 0 0 382.411 3.238 20 30 GGEDRN C=CCn1c(C2CCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000282666951 1435855760 /nfs/dbraw/zinc/85/57/60/1435855760.db2.gz RQMOCOJMSCIMEZ-OAHLLOKOSA-N 0 0 375.517 3.425 20 30 GGEDRN 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C=CCn1c(C2CC2)nnc1N1CCC(Nc2cccc(C(=O)OC)c2)CC1 ZINC000282725835 1435857898 /nfs/dbraw/zinc/85/78/98/1435857898.db2.gz WSEACHFTIJNOJB-UHFFFAOYSA-N 0 0 381.480 3.209 20 30 GGEDRN C=CCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000282727562 1435858034 /nfs/dbraw/zinc/85/80/34/1435858034.db2.gz WVJDEEIHUCVJID-UHFFFAOYSA-N 0 0 376.526 3.093 20 30 GGEDRN C=CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000282727657 1435858047 /nfs/dbraw/zinc/85/80/47/1435858047.db2.gz WWKHPNYIRKBBNB-INIZCTEOSA-N 0 0 394.454 3.103 20 30 GGEDRN C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)C#N ZINC000282729641 1435858140 /nfs/dbraw/zinc/85/81/40/1435858140.db2.gz WZNBWMVOTBOXHA-CVEARBPZSA-N 0 0 388.516 3.174 20 30 GGEDRN CC(C)(CO)[C@@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccccc1 ZINC000282732199 1435858238 /nfs/dbraw/zinc/85/82/38/1435858238.db2.gz MJCYLSAUPSSGNH-FQEVSTJZSA-N 0 0 388.471 3.276 20 30 GGEDRN C=CCn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1nc(CCOC)no1 ZINC000282731612 1435858263 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ZINC000283276309 1435882589 /nfs/dbraw/zinc/88/25/89/1435882589.db2.gz NGQVURKPWWGDCL-LPHOPBHVSA-N 0 0 384.480 3.230 20 30 GGEDRN CC1(C#N)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 ZINC000283289575 1435882986 /nfs/dbraw/zinc/88/29/86/1435882986.db2.gz GRVRVFBAEDENFL-SFHVURJKSA-N 0 0 376.464 3.126 20 30 GGEDRN N#Cc1ccc(OCc2nnc(N3CCC4(CCC4)C3)n2C[C@H]2CCOC2)cc1 ZINC000283312806 1435883927 /nfs/dbraw/zinc/88/39/27/1435883927.db2.gz IHJQOCHBWUQUOZ-GOSISDBHSA-N 0 0 393.491 3.146 20 30 GGEDRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCOC2)c1 ZINC000283324765 1435884387 /nfs/dbraw/zinc/88/43/87/1435884387.db2.gz JALRASOFWFGZBQ-ZWKOTPCHSA-N 0 0 383.496 3.106 20 30 GGEDRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCOC2)c1 ZINC000283324764 1435884427 /nfs/dbraw/zinc/88/44/27/1435884427.db2.gz JALRASOFWFGZBQ-ROUUACIJSA-N 0 0 383.496 3.106 20 30 GGEDRN C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCO1 ZINC000283332510 1435884722 /nfs/dbraw/zinc/88/47/22/1435884722.db2.gz IUSFRVRUCXAYQV-PMPSAXMXSA-N 0 0 387.459 3.332 20 30 GGEDRN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC000283339881 1435885067 /nfs/dbraw/zinc/88/50/67/1435885067.db2.gz RLFCYEBGUWUGMB-UHFFFAOYSA-N 0 0 390.491 3.221 20 30 GGEDRN Cc1cc(Cl)nc(CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000283342774 1435885222 /nfs/dbraw/zinc/88/52/22/1435885222.db2.gz AWMVXIZBXWXQPY-UHFFFAOYSA-N 0 0 399.882 3.500 20 30 GGEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000283344889 1435885307 /nfs/dbraw/zinc/88/53/07/1435885307.db2.gz RQRSPJGKRPPNPD-KRWDZBQOSA-N 0 0 383.496 3.474 20 30 GGEDRN C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000283347696 1435885459 /nfs/dbraw/zinc/88/54/59/1435885459.db2.gz AWLBWMSWSGROSM-WBVHZDCISA-N 0 0 391.475 3.315 20 30 GGEDRN COc1cc(C=CC(=O)N2CCC[C@H](c3cc(C)n[nH]3)C2)ccc1OCC#N ZINC000283350071 1435885502 /nfs/dbraw/zinc/88/55/02/1435885502.db2.gz POCOUYWZYPSTNF-JKNJVXJCSA-N 0 0 380.448 3.049 20 30 GGEDRN C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](COCC)C1 ZINC000283349937 1435885524 /nfs/dbraw/zinc/88/55/24/1435885524.db2.gz RZWHNRMLVLTOIM-QGZVFWFLSA-N 0 0 386.496 3.305 20 30 GGEDRN CC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)C1 ZINC000283360489 1435885934 /nfs/dbraw/zinc/88/59/34/1435885934.db2.gz LHCMCODYCCVYFI-FUHWJXTLSA-N 0 0 381.480 3.002 20 30 GGEDRN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC000283360224 1435885940 /nfs/dbraw/zinc/88/59/40/1435885940.db2.gz SWKOTDIAHNXPEZ-MRXNPFEDSA-N 0 0 397.552 3.199 20 30 GGEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC000283360033 1435885943 /nfs/dbraw/zinc/88/59/43/1435885943.db2.gz SUNZMIBTGHBTMF-UHFFFAOYSA-N 0 0 395.898 3.291 20 30 GGEDRN C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC000283365887 1435886268 /nfs/dbraw/zinc/88/62/68/1435886268.db2.gz UBIVMJZCHPPNRY-QGZVFWFLSA-N 0 0 390.491 3.032 20 30 GGEDRN C[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)C1 ZINC000283370322 1435886493 /nfs/dbraw/zinc/88/64/93/1435886493.db2.gz MAUCIMSPJPZGNW-AEFFLSMTSA-N 0 0 381.480 3.002 20 30 GGEDRN CC1(C#N)CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCO2)CC1 ZINC000283373169 1435886649 /nfs/dbraw/zinc/88/66/49/1435886649.db2.gz KRFMFQXRFYTHEA-INIZCTEOSA-N 0 0 399.470 3.305 20 30 GGEDRN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N(C)Cc1ncc(CC)s1 ZINC000283375779 1435886741 /nfs/dbraw/zinc/88/67/41/1435886741.db2.gz URQYQEOAYIJZHL-AWEZNQCLSA-N 0 0 379.530 3.234 20 30 GGEDRN C[C@@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCO1 ZINC000283375454 1435886759 /nfs/dbraw/zinc/88/67/59/1435886759.db2.gz KURLWDSVTWYOQW-RDJZCZTQSA-N 0 0 376.464 3.268 20 30 GGEDRN C=C(C)Cn1c(N(C)Cc2ccc(S(C)(=O)=O)cc2)nnc1C(C)(C)C ZINC000283388288 1435887357 /nfs/dbraw/zinc/88/73/57/1435887357.db2.gz VMYVJNAHIZEZHH-UHFFFAOYSA-N 0 0 376.526 3.192 20 30 GGEDRN CC(C)(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CCO1 ZINC000283389305 1435887525 /nfs/dbraw/zinc/88/75/25/1435887525.db2.gz LLJUSXRSQUYPQQ-RTBURBONSA-N 0 0 395.507 3.247 20 30 GGEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 ZINC000283398175 1435887980 /nfs/dbraw/zinc/88/79/80/1435887980.db2.gz WLGZFDNCIXIQIF-HKUYNNGSSA-N 0 0 396.539 3.437 20 30 GGEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C(=O)NCCC)C1 ZINC000283403610 1435888174 /nfs/dbraw/zinc/88/81/74/1435888174.db2.gz WPURSWPWLPABBB-QGZVFWFLSA-N 0 0 397.523 3.272 20 30 GGEDRN CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCO[C@H](C#N)C1 ZINC000283402329 1435888181 /nfs/dbraw/zinc/88/81/81/1435888181.db2.gz HHPBUZCWIAFCJR-HNAYVOBHSA-N 0 0 377.448 3.320 20 30 GGEDRN C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)C[C@@H]1C ZINC000283401985 1435888190 /nfs/dbraw/zinc/88/81/90/1435888190.db2.gz OGESVLVILWHLMH-ZIFCJYIRSA-N 0 0 395.507 3.248 20 30 GGEDRN C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)C[C@H]1C ZINC000283401978 1435888195 /nfs/dbraw/zinc/88/81/95/1435888195.db2.gz OGESVLVILWHLMH-ZHALLVOQSA-N 0 0 395.507 3.248 20 30 GGEDRN C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)C[C@@H]1C ZINC000283401963 1435888226 /nfs/dbraw/zinc/88/82/26/1435888226.db2.gz OGESVLVILWHLMH-AOIWGVFYSA-N 0 0 395.507 3.248 20 30 GGEDRN CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCO[C@H](C#N)C1 ZINC000283402319 1435888228 /nfs/dbraw/zinc/88/82/28/1435888228.db2.gz HHPBUZCWIAFCJR-DNVCBOLYSA-N 0 0 377.448 3.320 20 30 GGEDRN CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC000283406728 1435888478 /nfs/dbraw/zinc/88/84/78/1435888478.db2.gz HNQQXIRWNXLNAN-OAHLLOKOSA-N 0 0 393.520 3.176 20 30 GGEDRN CC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)C1 ZINC000283408655 1435888571 /nfs/dbraw/zinc/88/85/71/1435888571.db2.gz MILGSOWSKOIXPA-LPHOPBHVSA-N 0 0 381.480 3.144 20 30 GGEDRN Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)o1 ZINC000283411896 1435888694 /nfs/dbraw/zinc/88/86/94/1435888694.db2.gz OVOGGWVKWDKTCE-SFHVURJKSA-N 0 0 377.448 3.391 20 30 GGEDRN CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)C1 ZINC000283413643 1435888733 /nfs/dbraw/zinc/88/87/33/1435888733.db2.gz MPFGAEZLSRLLBG-NQIIRXRSSA-N 0 0 381.480 3.001 20 30 GGEDRN CO[C@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)C1 ZINC000283413637 1435888767 /nfs/dbraw/zinc/88/87/67/1435888767.db2.gz MPFGAEZLSRLLBG-GHTZIAJQSA-N 0 0 381.480 3.001 20 30 GGEDRN C=CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000283419203 1435888990 /nfs/dbraw/zinc/88/89/90/1435888990.db2.gz GOLJVQIYFHZESG-UHFFFAOYSA-N 0 0 394.454 3.000 20 30 GGEDRN N#Cc1ccc(OCc2nnc(N3C[C@@H]4CCC[C@@H]4C3)n2C[C@@H]2CCCO2)cc1 ZINC000283427503 1435889295 /nfs/dbraw/zinc/88/92/95/1435889295.db2.gz NFKBHEFHYRRTQS-NSHGMRRFSA-N 0 0 393.491 3.144 20 30 GGEDRN N#Cc1ccc(OCc2nnc(N3C[C@@H]4CCC[C@H]4C3)n2C[C@@H]2CCCO2)cc1 ZINC000283427492 1435889341 /nfs/dbraw/zinc/88/93/41/1435889341.db2.gz NFKBHEFHYRRTQS-BJLQDIEVSA-N 0 0 393.491 3.144 20 30 GGEDRN Cc1ncsc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO1 ZINC000283435607 1435889676 /nfs/dbraw/zinc/88/96/76/1435889676.db2.gz NOFSHPSRODEDQF-KRWDZBQOSA-N 0 0 394.504 3.397 20 30 GGEDRN C#Cc1cc(F)c(NC(=O)C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c(F)c1 ZINC000283447024 1435890137 /nfs/dbraw/zinc/89/01/37/1435890137.db2.gz ZDPHGAGXFRGABK-HNAYVOBHSA-N 0 0 398.409 3.169 20 30 GGEDRN C=C(C)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000283449253 1435890345 /nfs/dbraw/zinc/89/03/45/1435890345.db2.gz ZHHLOZVRXZBCMQ-OAHLLOKOSA-N 0 0 399.461 3.092 20 30 GGEDRN C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@@H](C(=O)OCC)C1 ZINC000283458314 1435890861 /nfs/dbraw/zinc/89/08/61/1435890861.db2.gz AGHGEIQLMJDSBD-LJQANCHMSA-N 0 0 398.507 3.351 20 30 GGEDRN CCc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCOC1 ZINC000283461062 1435891010 /nfs/dbraw/zinc/89/10/10/1435891010.db2.gz RRLBDLMGXKEWAC-DLBZAZTESA-N 0 0 383.496 3.052 20 30 GGEDRN CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000283466287 1435891116 /nfs/dbraw/zinc/89/11/16/1435891116.db2.gz LZXFNKLOCAUHOR-UHFFFAOYSA-N 0 0 389.463 3.020 20 30 GGEDRN C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 ZINC000283474078 1435891485 /nfs/dbraw/zinc/89/14/85/1435891485.db2.gz BPMMQRRNVCTOPL-YOEHRIQHSA-N 0 0 387.871 3.376 20 30 GGEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC000283475811 1435891580 /nfs/dbraw/zinc/89/15/80/1435891580.db2.gz BRBHUXIIWAMMJP-CABCVRRESA-N 0 0 388.443 3.133 20 30 GGEDRN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000283484352 1435892059 /nfs/dbraw/zinc/89/20/59/1435892059.db2.gz CMEIJXRYWJPJPP-UHFFFAOYSA-N 0 0 394.523 3.288 20 30 GGEDRN N#CCCSc1ccccc1NC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000283486008 1435892102 /nfs/dbraw/zinc/89/21/02/1435892102.db2.gz COXLTUCQEOKKOH-UHFFFAOYSA-N 0 0 397.382 3.028 20 30 GGEDRN C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC2(C1)CCOCC2 ZINC000283497234 1435892575 /nfs/dbraw/zinc/89/25/75/1435892575.db2.gz DKEJXEUXMMNOHP-LJQANCHMSA-N 0 0 396.491 3.374 20 30 GGEDRN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](COc2ccccc2)C1 ZINC000283499476 1435892701 /nfs/dbraw/zinc/89/27/01/1435892701.db2.gz DMVNPLDSOJSEFX-QGZVFWFLSA-N 0 0 378.480 3.160 20 30 GGEDRN C[C@@H](NC(=O)C(=O)NCC1(c2ccccc2Cl)CC1)c1ccc(C#N)cc1 ZINC000283506701 1435893038 /nfs/dbraw/zinc/89/30/38/1435893038.db2.gz BFSSVOVMNBJVDK-CQSZACIVSA-N 0 0 381.863 3.237 20 30 GGEDRN CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC(C)(C)O1 ZINC000283508264 1435893157 /nfs/dbraw/zinc/89/31/57/1435893157.db2.gz VROJVMZNRZCEDL-KRWDZBQOSA-N 0 0 395.507 3.247 20 30 GGEDRN C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC000283512303 1435893321 /nfs/dbraw/zinc/89/33/21/1435893321.db2.gz FMHQTHZJOHSBKQ-UGKGYDQZSA-N 0 0 382.508 3.392 20 30 GGEDRN C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(Cn2ccnn2)CC1 ZINC000283514180 1435893391 /nfs/dbraw/zinc/89/33/91/1435893391.db2.gz FOIOMPAFYOHZIE-UHFFFAOYSA-N 0 0 377.496 3.338 20 30 GGEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](CC)C1 ZINC000283519482 1435893602 /nfs/dbraw/zinc/89/36/02/1435893602.db2.gz FXAFXAHFTYIRTL-QGZVFWFLSA-N 0 0 381.528 3.265 20 30 GGEDRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCO2)c1 ZINC000283519671 1435893607 /nfs/dbraw/zinc/89/36/07/1435893607.db2.gz RTMJITXOZRDWIU-MSOLQXFVSA-N 0 0 383.496 3.249 20 30 GGEDRN C=CCn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000283530947 1435894136 /nfs/dbraw/zinc/89/41/36/1435894136.db2.gz OGKVXNKPTXYYCK-AEFFLSMTSA-N 0 0 388.487 3.396 20 30 GGEDRN C=CCn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000283530969 1435894201 /nfs/dbraw/zinc/89/42/01/1435894201.db2.gz OGKVXNKPTXYYCK-WMZOPIPTSA-N 0 0 388.487 3.396 20 30 GGEDRN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000283535137 1435894302 /nfs/dbraw/zinc/89/43/02/1435894302.db2.gz SKXWXXHXIWSFRM-JKSBSHDWSA-N 0 0 395.507 3.245 20 30 GGEDRN COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)CC1 ZINC000283541187 1435894594 /nfs/dbraw/zinc/89/45/94/1435894594.db2.gz SRVRUBFCYSSZBH-UHFFFAOYSA-N 0 0 383.496 3.105 20 30 GGEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCCC2)C1 ZINC000283553280 1435895129 /nfs/dbraw/zinc/89/51/29/1435895129.db2.gz 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C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000284041750 1435979416 /nfs/dbraw/zinc/97/94/16/1435979416.db2.gz JPHIEKNUNPMIMG-AWEZNQCLSA-N 0 0 392.402 3.316 20 30 GGEDRN N#Cc1c(NC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)sc2c1CCCC2 ZINC000284050041 1435981326 /nfs/dbraw/zinc/98/13/26/1435981326.db2.gz XUPXGODCTXFJFE-CQSZACIVSA-N 0 0 386.498 3.398 20 30 GGEDRN CC1(NC(=S)C(C(=O)c2ccc3c(c2)CCC3)[n+]2cc([O-])ccc2F)CC1 ZINC000284054527 1435981976 /nfs/dbraw/zinc/98/19/76/1435981976.db2.gz JKSHOBZEVFEHNK-UHFFFAOYSA-O 0 0 385.484 3.388 20 30 GGEDRN C=CCCCCCN(C)C(=O)C(=O)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000284064817 1435983746 /nfs/dbraw/zinc/98/37/46/1435983746.db2.gz KTPPDBJPSSKUKY-OAHLLOKOSA-N 0 0 392.496 3.094 20 30 GGEDRN CCc1cccc2c(CCNC(=O)C(=O)N[C@@H](C)c3ccc(C#N)cc3)c[nH]c21 ZINC000284069326 1435984704 /nfs/dbraw/zinc/98/47/04/1435984704.db2.gz RFXBOTWWSNAPJV-HNNXBMFYSA-N 0 0 388.471 3.138 20 30 GGEDRN CCCCOc1ccc(C(=O)C(C(=S)NC)[n+]2cc([O-])ccc2F)cc1 ZINC000284078109 1435986400 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387.509 3.082 20 30 GGEDRN CC(C)c1ccoc1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000284159158 1436000338 /nfs/dbraw/zinc/00/03/38/1436000338.db2.gz WQKKJTVCCBBPBE-HEHNFIMWSA-N 0 0 389.477 3.468 20 30 GGEDRN N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000284162688 1436000735 /nfs/dbraw/zinc/00/07/35/1436000735.db2.gz FTBBVEFREQGGHY-HNNXBMFYSA-N 0 0 386.498 3.440 20 30 GGEDRN CCOc1ccccc1[C@H](CC)NC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000284164209 1436000896 /nfs/dbraw/zinc/00/08/96/1436000896.db2.gz YGDCAINRTCDVDY-BEFAXECRSA-N 0 0 379.460 3.402 20 30 GGEDRN COc1ccc2c(c1)[C@H](OC(=O)C1CCN(c3oc(C)nc3C#N)CC1)CCO2 ZINC000284177540 1436001771 /nfs/dbraw/zinc/00/17/71/1436001771.db2.gz KVLNIDAQKRDDGA-LJQANCHMSA-N 0 0 397.431 3.147 20 30 GGEDRN COCCCCN(Cc1ccccc1)C(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000284183732 1436002020 /nfs/dbraw/zinc/00/20/20/1436002020.db2.gz ZQIXAXJXRPUZDC-GOSISDBHSA-N 0 0 393.487 3.191 20 30 GGEDRN CCCCOc1cccc(CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000284207968 1436004108 /nfs/dbraw/zinc/00/41/08/1436004108.db2.gz MSXZJTVHYSRYDL-UHFFFAOYSA-N 0 0 379.460 3.012 20 30 GGEDRN COc1ccc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000284221949 1436005018 /nfs/dbraw/zinc/00/50/18/1436005018.db2.gz SROAOMMPOXSMDD-MRXNPFEDSA-N 0 0 379.460 3.181 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000284265333 1436008481 /nfs/dbraw/zinc/00/84/81/1436008481.db2.gz AOFMDTCJTRSPMM-FGZHOGPDSA-N 0 0 392.499 3.485 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000284265336 1436008549 /nfs/dbraw/zinc/00/85/49/1436008549.db2.gz AOFMDTCJTRSPMM-VXKWHMMOSA-N 0 0 392.499 3.485 20 30 GGEDRN CC(C)Oc1cccc([C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC000284273549 1436009058 /nfs/dbraw/zinc/00/90/58/1436009058.db2.gz OAJIDSFVMIISSX-MRXNPFEDSA-N 0 0 379.460 3.181 20 30 GGEDRN CCn1c(-c2ccc(OCCC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 ZINC000284293708 1436010631 /nfs/dbraw/zinc/01/06/31/1436010631.db2.gz GGBWTDYYBXXJTC-KRWDZBQOSA-N 0 0 399.495 3.127 20 30 GGEDRN C=CCCCCCN(C)S(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2 ZINC000284309575 1436012123 /nfs/dbraw/zinc/01/21/23/1436012123.db2.gz NOFBWGSTYTZWFB-UHFFFAOYSA-N 0 0 378.538 3.001 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H](CC)c1ccc(OC)cc1 ZINC000284337902 1436014213 /nfs/dbraw/zinc/01/42/13/1436014213.db2.gz WJKQYUNTDMKKCJ-OAQYLSRUSA-N 0 0 391.471 3.349 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccc(OCC)cc1 ZINC000284344351 1436014630 /nfs/dbraw/zinc/01/46/30/1436014630.db2.gz XMDRRRDUWREBPB-UHFFFAOYSA-N 0 0 379.460 3.012 20 30 GGEDRN CCC(=O)c1ccc(OC(=O)C2CCN(c3oc(C)nc3C#N)CC2)c(F)c1 ZINC000284358571 1436015697 /nfs/dbraw/zinc/01/56/97/1436015697.db2.gz YYNVWAYDMMMTIT-UHFFFAOYSA-N 0 0 385.395 3.409 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000284358048 1436015788 /nfs/dbraw/zinc/01/57/88/1436015788.db2.gz UAKVIPJFHYAJCD-AWEZNQCLSA-N 0 0 392.402 3.316 20 30 GGEDRN Cc1cc(F)cc2c1ncc(C#N)c2N1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000284441467 1436021929 /nfs/dbraw/zinc/02/19/29/1436021929.db2.gz FQJSNMPSTZSTMP-KRWDZBQOSA-N 0 0 392.438 3.308 20 30 GGEDRN CCc1cccc(C)c1NC(=O)CON=C(N)C(C)(C)NC(=O)OC(C)(C)C ZINC000284469583 1436024065 /nfs/dbraw/zinc/02/40/65/1436024065.db2.gz RFCRVMDIEGFDTQ-UHFFFAOYSA-N 0 0 392.500 3.088 20 30 GGEDRN C=CCC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)nc1)c1ccccc1 ZINC000284509601 1436027000 /nfs/dbraw/zinc/02/70/00/1436027000.db2.gz QNOUZQQICNBHNX-HXUWFJFHSA-N 0 0 392.503 3.122 20 30 GGEDRN N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000284514711 1436027450 /nfs/dbraw/zinc/02/74/50/1436027450.db2.gz DDPGAZGTIPKXMN-QGZVFWFLSA-N 0 0 392.459 3.061 20 30 GGEDRN COc1ccc([C@@H](NC(=O)OC(C)(C)C)C(N)=NOCc2cc(C)on2)cc1 ZINC000284516941 1436027780 /nfs/dbraw/zinc/02/77/80/1436027780.db2.gz UJXHLLYEUGJAPG-MRXNPFEDSA-N 0 0 390.440 3.046 20 30 GGEDRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)Nc2cc(C#N)ccc2OC)cc1 ZINC000284552466 1436029885 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GGEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1C[C@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001164961293 722047319 /nfs/dbraw/zinc/04/73/19/722047319.db2.gz YHYLNCBPSCUXSG-CHWSQXEVSA-N 0 0 392.793 3.095 20 30 GGEDRN N#Cc1cc(C(F)(F)N2C[C@H]3CCN(C(=O)c4ccco4)[C@H]3C2)cnc1Cl ZINC001164956846 722047358 /nfs/dbraw/zinc/04/73/58/722047358.db2.gz DGSPSDJWBZWSTF-RISCZKNCSA-N 0 0 392.793 3.095 20 30 GGEDRN N#Cc1cc(C(F)(F)N2C[C@H]3[C@@H](CCN3C(=O)c3ccco3)C2)cnc1Cl ZINC001164956845 722047381 /nfs/dbraw/zinc/04/73/81/722047381.db2.gz DGSPSDJWBZWSTF-FZMZJTMJSA-N 0 0 392.793 3.095 20 30 GGEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1C[C@H]2CCN(C(=O)c3ccco3)[C@H]2C1 ZINC001164961295 722047419 /nfs/dbraw/zinc/04/74/19/722047419.db2.gz YHYLNCBPSCUXSG-OLZOCXBDSA-N 0 0 392.793 3.095 20 30 GGEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001164956960 722047802 /nfs/dbraw/zinc/04/78/02/722047802.db2.gz FPZHPYOHNBBATO-SMDDNHRTSA-N 0 0 392.793 3.095 20 30 GGEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1C[C@H]2CC(C(=O)NC3CCC3)C[C@@H]2C1 ZINC001164977770 722084868 /nfs/dbraw/zinc/08/48/68/722084868.db2.gz YHAVFIWUZFSVIA-CHWSQXEVSA-N 0 0 394.853 3.283 20 30 GGEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1C[C@@H]2C[C@@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001164977773 722084886 /nfs/dbraw/zinc/08/48/86/722084886.db2.gz YHAVFIWUZFSVIA-CLLJXQQHSA-N 0 0 394.853 3.283 20 30 GGEDRN N#Cc1cc(C(F)(F)N2C[C@H]3CC(C(=O)NC4CCC4)C[C@@H]3C2)cnc1Cl ZINC001164974287 722085143 /nfs/dbraw/zinc/08/51/43/722085143.db2.gz QBLFTKBKDSIMDX-ZIAGYGMSSA-N 0 0 394.853 3.283 20 30 GGEDRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3cc(Cl)nc(C#N)c3)C2)C1=O ZINC001164979256 722161875 /nfs/dbraw/zinc/16/18/75/722161875.db2.gz JNFVKWQLKSLKCB-SFHVURJKSA-N 0 0 388.805 3.276 20 30 GGEDRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3nc(Cl)ccc3C#N)C2)C1=O ZINC001164982318 722162178 /nfs/dbraw/zinc/16/21/78/722162178.db2.gz VQLUHNGONFNJQA-SFHVURJKSA-N 0 0 388.805 3.276 20 30 GGEDRN C=CCOC[C@@H]1CCC[C@]12CN(C(F)(F)c1cnc(Cl)c(N)c1)CCO2 ZINC001164974766 722168934 /nfs/dbraw/zinc/16/89/34/722168934.db2.gz HIVKEHYFZXORQY-GUYCJALGSA-N 0 0 387.858 3.440 20 30 GGEDRN C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)Oc1cnc(Cl)cn1)CCO2 ZINC001164980947 722170081 /nfs/dbraw/zinc/17/00/81/722170081.db2.gz ZCQTXYIMWKHAGB-XJKSGUPXSA-N 0 0 389.830 3.133 20 30 GGEDRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(CC#N)c(C)n4)CC[C@@H]32)cs1 ZINC001164993342 722185506 /nfs/dbraw/zinc/18/55/06/722185506.db2.gz YZSPPLCNMJYQLX-PMACEKPBSA-N 0 0 397.548 3.091 20 30 GGEDRN N#Cc1cc(NC(=O)CCOc2ccc3ccccc3c2)ccc1-c1nn[nH]n1 ZINC000737705214 945115185 /nfs/dbraw/zinc/11/51/85/945115185.db2.gz OSFZWYXUQLNYPR-UHFFFAOYSA-N 0 0 384.399 3.299 20 30 GGEDRN C=CC[C@@]1(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CCCN1C(=O)OC(C)(C)C ZINC000790245294 945270643 /nfs/dbraw/zinc/27/06/43/945270643.db2.gz KSDQYDOYHKOYOD-FQEVSTJZSA-N 0 0 398.467 3.151 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[C@@H](OCC)C(C)C ZINC000819743638 945279650 /nfs/dbraw/zinc/27/96/50/945279650.db2.gz MZFQCDFWJFZXRG-GOSISDBHSA-N 0 0 386.500 3.016 20 30 GGEDRN CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000819898351 945310941 /nfs/dbraw/zinc/31/09/41/945310941.db2.gz FIGWNKSGTUVOEG-QGZVFWFLSA-N 0 0 376.420 3.327 20 30 GGEDRN CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000819899026 945310965 /nfs/dbraw/zinc/31/09/65/945310965.db2.gz MLJOWBGWRWMYJW-GOSISDBHSA-N 0 0 390.447 3.114 20 30 GGEDRN CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)o1 ZINC000735939380 944721320 /nfs/dbraw/zinc/72/13/20/944721320.db2.gz OIUGCTVXWADKTB-HIFRSBDPSA-N 0 0 386.504 3.421 20 30 GGEDRN CCc1nc2ccc(C(=O)Nc3ccc(-c4nn[nH]n4)c(C#N)c3)cc2nc1CC ZINC000736704890 944873513 /nfs/dbraw/zinc/87/35/13/944873513.db2.gz CTGCGSZZHXTBMP-UHFFFAOYSA-N 0 0 398.430 3.059 20 30 GGEDRN CCN(CCC#N)Cc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000821207634 945653358 /nfs/dbraw/zinc/65/33/58/945653358.db2.gz RIDBJEKCZLDPJQ-UHFFFAOYSA-N 0 0 392.463 3.190 20 30 GGEDRN C=CCCOCCCCC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823899247 946510522 /nfs/dbraw/zinc/51/05/22/946510522.db2.gz ROISILSOEPUZQD-UHFFFAOYSA-N 0 0 381.480 3.245 20 30 GGEDRN C=CCN(C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[nH]n2)n1)C(C)C ZINC000823904010 946512311 /nfs/dbraw/zinc/51/23/11/946512311.db2.gz QYXOZNJECRIHTA-UHFFFAOYSA-N 0 0 386.847 3.134 20 30 GGEDRN C=CCN(Cc1ncc(Br)s1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914916 946519130 /nfs/dbraw/zinc/51/91/30/946519130.db2.gz OTSQZJZXYYLRMR-UHFFFAOYSA-N 0 0 391.298 3.274 20 30 GGEDRN CC(C)(C#N)CCOC(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1 ZINC000824058944 946572796 /nfs/dbraw/zinc/57/27/96/946572796.db2.gz KGZSAUSYCLZZBV-UHFFFAOYSA-N 0 0 381.392 3.135 20 30 GGEDRN C#C[C@@H](CC)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[nH]n2)c1 ZINC001573279187 946633633 /nfs/dbraw/zinc/63/36/33/946633633.db2.gz CZYDSRPZRWICOT-AWEZNQCLSA-N 0 0 381.823 3.454 20 30 GGEDRN CC(C)COc1ncc(C(=O)Nc2ccc(C#N)c(-c3nn[nH]n3)c2)cc1Cl ZINC000824271128 946640719 /nfs/dbraw/zinc/64/07/19/946640719.db2.gz LDPKDRNZZSGLIY-UHFFFAOYSA-N 0 0 397.826 3.074 20 30 GGEDRN C#C[C@@H](NCc1cc(-c2nn[nH]n2)ccc1Br)c1ccc(F)cc1 ZINC001573279486 946640988 /nfs/dbraw/zinc/64/09/88/946640988.db2.gz IBGAFSBWOOZWPU-MRXNPFEDSA-N 0 0 386.228 3.232 20 30 GGEDRN C#C[C@@H](NC(=O)N(C)[C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC001573279912 946650624 /nfs/dbraw/zinc/65/06/24/946650624.db2.gz LSGLFYKQTBFJPW-SCLBCKFNSA-N 0 0 378.411 3.083 20 30 GGEDRN C#C[C@@H](NC(=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1)C(C)(C)C ZINC001573281441 946676583 /nfs/dbraw/zinc/67/65/83/946676583.db2.gz YVFGDZJZRXNAGF-LJQANCHMSA-N 0 0 389.459 3.223 20 30 GGEDRN C#CCCCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N(C)C[C@H](C)CC ZINC001573282220 946686611 /nfs/dbraw/zinc/68/66/11/946686611.db2.gz GWMWMMSUVRHYSO-OAHLLOKOSA-N 0 0 378.484 3.021 20 30 GGEDRN C#CCN(CC)c1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CC1=CCCCC1 ZINC001573282948 946701992 /nfs/dbraw/zinc/70/19/92/946701992.db2.gz NWCFXQPDUOKRDV-UHFFFAOYSA-N 0 0 388.479 3.085 20 30 GGEDRN C#CCN(C(=O)c1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCCc2ccccc21 ZINC001573283281 946712423 /nfs/dbraw/zinc/71/24/23/946712423.db2.gz QVVULZLJTMUGOV-IBGZPJMESA-N 0 0 375.407 3.159 20 30 GGEDRN C#CCN(Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001573283506 946717443 /nfs/dbraw/zinc/71/74/43/946717443.db2.gz SMDFERSOGQNGFJ-LJQANCHMSA-N 0 0 388.431 3.288 20 30 GGEDRN C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824513927 946754377 /nfs/dbraw/zinc/75/43/77/946754377.db2.gz KHAIXYAJCQIEMT-ZDUSSCGKSA-N 0 0 383.415 3.224 20 30 GGEDRN C#CCSc1ccc(COC(=O)C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC001573287802 946845492 /nfs/dbraw/zinc/84/54/92/946845492.db2.gz FPXHEXQJTNDUJO-UHFFFAOYSA-N 0 0 390.468 3.367 20 30 GGEDRN C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(-c3nn[nH]n3)n2C)c1 ZINC001573291094 946914324 /nfs/dbraw/zinc/91/43/24/946914324.db2.gz VZVKASHTDCIBQE-UHFFFAOYSA-N 0 0 388.456 3.095 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001573293651 946962612 /nfs/dbraw/zinc/96/26/12/946962612.db2.gz FKGRJSMVVFOCNM-MAUKXSAKSA-N 0 0 390.495 3.470 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N(C)[C@H](C)CCSC ZINC001573294068 946977708 /nfs/dbraw/zinc/97/77/08/946977708.db2.gz SQUAPIBRGMNKOE-CQSZACIVSA-N 0 0 398.540 3.279 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(-c2nn[nH]n2)c(Br)c1F ZINC001573299669 947100295 /nfs/dbraw/zinc/10/02/95/947100295.db2.gz KUFGLHDQZOZHST-YMTOWFKASA-N 0 0 382.237 3.161 20 30 GGEDRN C=C(C)C[C@@H](Nc1cc(Br)c(-c2nn[nH]n2)cc1F)C(=O)OCC ZINC001573300701 947119292 /nfs/dbraw/zinc/11/92/92/947119292.db2.gz SMFWOKGMWITUOG-CYBMUJFWSA-N 0 0 398.236 3.078 20 30 GGEDRN C=C(C)C[C@H](CO)NC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[nH]n2)c1 ZINC001573300695 947119552 /nfs/dbraw/zinc/11/95/52/947119552.db2.gz SELAQOPOORSJAH-OAHLLOKOSA-N 0 0 394.435 3.108 20 30 GGEDRN C=CC(C)(C)CCCNC(=O)NCCSCc1ccccc1-c1nn[nH]n1 ZINC001573306739 947174495 /nfs/dbraw/zinc/17/44/95/947174495.db2.gz MMAXVMOJYBTZIU-UHFFFAOYSA-N 0 0 388.541 3.392 20 30 GGEDRN C=CC1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC001573315378 947252016 /nfs/dbraw/zinc/25/20/16/947252016.db2.gz MCKFALWHIYBCFE-ZDUSSCGKSA-N 0 0 382.472 3.015 20 30 GGEDRN C=CC[C@H](Cc1ccccc1)NC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC001573326781 947378931 /nfs/dbraw/zinc/37/89/31/947378931.db2.gz VDKMKVLFDYASRW-QGZVFWFLSA-N 0 0 379.489 3.262 20 30 GGEDRN C=CCC1([NH2+]CC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)[O-])CCCC1 ZINC001602718773 971377002 /nfs/dbraw/zinc/37/70/02/971377002.db2.gz WEICAXNNORIJHG-UHFFFAOYSA-N 0 0 394.493 3.348 20 30 GGEDRN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nn[nH]n2)c1Br ZINC001573329558 947422704 /nfs/dbraw/zinc/42/27/04/947422704.db2.gz KYLGZNSYZFTHLI-BXUZGUMPSA-N 0 0 390.285 3.494 20 30 GGEDRN C=CCCC[C@H](NS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC001573334953 947466228 /nfs/dbraw/zinc/46/62/28/947466228.db2.gz JVMVENNAHMJPSD-IBGZPJMESA-N 0 0 397.504 3.384 20 30 GGEDRN C=CCCCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CCS[C@H](C)C1 ZINC001573335192 947474981 /nfs/dbraw/zinc/47/49/81/947474981.db2.gz NYFCLNACRIFPNB-CQSZACIVSA-N 0 0 396.524 3.033 20 30 GGEDRN C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)C(C)C ZINC001602722607 971387325 /nfs/dbraw/zinc/38/73/25/971387325.db2.gz BAUWERVARQZXDB-PWRODBHTSA-N 0 0 399.535 3.195 20 30 GGEDRN C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)C(C)C ZINC001602722606 971387399 /nfs/dbraw/zinc/38/73/99/971387399.db2.gz BAUWERVARQZXDB-HBMCJLEFSA-N 0 0 399.535 3.195 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H](C)OCc1cccc(C)c1 ZINC001573341107 947526738 /nfs/dbraw/zinc/52/67/38/947526738.db2.gz HDBDOAVLTSKVJE-QGZVFWFLSA-N 0 0 391.475 3.295 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001573341812 947535248 /nfs/dbraw/zinc/53/52/48/947535248.db2.gz QPEHFFYNCPVSOR-LJQANCHMSA-N 0 0 377.423 3.250 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)c(-c2nn[nH]n2)c(C)c1 ZINC001573342230 947538602 /nfs/dbraw/zinc/53/86/02/947538602.db2.gz VSXYNASNGRGYJE-UHFFFAOYSA-N 0 0 377.448 3.321 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)/C=C\COc1ccccc1 ZINC001573342225 947539238 /nfs/dbraw/zinc/53/92/38/947539238.db2.gz VRVIROWOYAOMDA-GHXNOFRVSA-N 0 0 375.432 3.017 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)/C=C/COc1ccccc1 ZINC001573342228 947539602 /nfs/dbraw/zinc/53/96/02/947539602.db2.gz VRVIROWOYAOMDA-KPKJPENVSA-N 0 0 375.432 3.017 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C=C(C)c1ccc(OC)cc1 ZINC001573342414 947542405 /nfs/dbraw/zinc/54/24/05/947542405.db2.gz XPNXGBHOVZCWLH-SSZFMOIBSA-N 0 0 389.459 3.493 20 30 GGEDRN C=CCOc1ccc(C=CC(=O)Nc2cc(F)cc(-c3nn[nH]n3)c2)cc1OC ZINC001573348966 947588857 /nfs/dbraw/zinc/58/88/57/947588857.db2.gz XKOQQOIPUFLVSE-ALCCZGGFSA-N 0 0 395.394 3.231 20 30 GGEDRN C=CCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001573348959 947589747 /nfs/dbraw/zinc/58/97/47/947589747.db2.gz XJDOYMFNSKZYFJ-RHSMWYFYSA-N 0 0 376.468 3.080 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nn[nH]n1 ZINC001573350830 947603447 /nfs/dbraw/zinc/60/34/47/947603447.db2.gz IHFJXHSHDDAGMJ-CVEARBPZSA-N 0 0 393.472 3.091 20 30 GGEDRN COc1nc2ccccc2cc1C=CC(=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826221514 947656866 /nfs/dbraw/zinc/65/68/66/947656866.db2.gz JGRPHPVDDIGKCF-VQHVLOKHSA-N 0 0 375.363 3.459 20 30 GGEDRN Cc1c(C(=O)C=Cc2ccccc2C#N)cnn1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826234389 947686629 /nfs/dbraw/zinc/68/66/29/947686629.db2.gz UAFDVHCFHYSSCG-FLIBITNWSA-N 0 0 381.399 3.129 20 30 GGEDRN C=CCc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2F)cc(OC)c1OC ZINC001275482764 948495412 /nfs/dbraw/zinc/49/54/12/948495412.db2.gz BTAUVPKKFXVXAY-UHFFFAOYSA-N 0 0 383.383 3.004 20 30 GGEDRN C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001602781107 971521867 /nfs/dbraw/zinc/52/18/67/971521867.db2.gz RLWXVFZXTOCJIS-OAQYLSRUSA-N 0 0 383.492 3.038 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](Cc1ccccc1)C(=O)[O-] ZINC001602785999 971530121 /nfs/dbraw/zinc/53/01/21/971530121.db2.gz AFHDAHSZQWTYRM-MAUKXSAKSA-N 0 0 397.500 3.162 20 30 GGEDRN CC1(c2cc(NC(=O)[C@H](C#N)Cc3ccc(-c4nn[nH]n4)cc3)no2)CCCC1 ZINC001575857435 949264370 /nfs/dbraw/zinc/26/43/70/949264370.db2.gz QTIHPRGEJVQYSV-HNNXBMFYSA-N 0 0 391.435 3.007 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC[C@H](CNc2c(C#N)cccc2-c2nn[nH]n2)CC1 ZINC001573854038 950338883 /nfs/dbraw/zinc/33/88/83/950338883.db2.gz XOULJLHVLWGBOP-AWEZNQCLSA-N 0 0 397.483 3.187 20 30 GGEDRN CC[NH+](CC)[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589722966 950434767 /nfs/dbraw/zinc/43/47/67/950434767.db2.gz KTNDTRDWCVIAAA-QAPCUYQASA-N 0 0 399.413 3.209 20 30 GGEDRN CC[NH+](CC)[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589722964 950435053 /nfs/dbraw/zinc/43/50/53/950435053.db2.gz KTNDTRDWCVIAAA-CRAIPNDOSA-N 0 0 399.413 3.209 20 30 GGEDRN CC(C)(C)c1cc(C(=O)Nc2ccc(-c3nn[nH]n3)c(C#N)c2)cc(Cl)n1 ZINC001573879725 950727525 /nfs/dbraw/zinc/72/75/25/950727525.db2.gz JDLQVSLCUNJMDB-UHFFFAOYSA-N 0 0 381.827 3.337 20 30 GGEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC001573881848 950761113 /nfs/dbraw/zinc/76/11/13/950761113.db2.gz JBHJGYUYNREPNP-KRWDZBQOSA-N 0 0 378.411 3.298 20 30 GGEDRN CC(C)(C)c1ccc(C(C)(C)CNc2cnc(-c3nn[nH]n3)c(C#N)n2)cc1 ZINC001573882092 950769957 /nfs/dbraw/zinc/76/99/57/950769957.db2.gz RPMAWGSSSZPSCQ-UHFFFAOYSA-N 0 0 376.468 3.216 20 30 GGEDRN CC1(C)C[C@H](CNc2nc3c(c(-c4nn[nH]n4)c2C#N)CCCCCC3)CCO1 ZINC001575638399 950824368 /nfs/dbraw/zinc/82/43/68/950824368.db2.gz BHWDRQFXVRVLEY-CQSZACIVSA-N 0 0 395.511 3.409 20 30 GGEDRN CC1(C)C[C@@H](CNc2nc3c(c(-c4nn[nH]n4)c2C#N)CCCCCC3)CCO1 ZINC001575638398 950828776 /nfs/dbraw/zinc/82/87/76/950828776.db2.gz BHWDRQFXVRVLEY-AWEZNQCLSA-N 0 0 395.511 3.409 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H](C)C[C@@H](C(=O)[O-])C3)sc2C1 ZINC001589364460 954178524 /nfs/dbraw/zinc/17/85/24/954178524.db2.gz UMOGPJASGVHHIX-MGPQQGTHSA-N 0 0 389.521 3.116 20 30 GGEDRN C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC[C@@H]3C(=O)[O-])sc2C1 ZINC001589364970 954181802 /nfs/dbraw/zinc/18/18/02/954181802.db2.gz ZNKNXSZVMZPPQB-SWLSCSKDSA-N 0 0 375.494 3.012 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC[C@@H]3C(=O)[O-])sc2C1 ZINC001589364969 954182621 /nfs/dbraw/zinc/18/26/21/954182621.db2.gz ZNKNXSZVMZPPQB-IUODEOHRSA-N 0 0 375.494 3.012 20 30 GGEDRN COC(=O)c1cccc(CN2CCC(c3ccccc3C(=O)[O-])CC2)c1C#N ZINC001593884948 955736530 /nfs/dbraw/zinc/73/65/30/955736530.db2.gz JCHFVJMHHQATJB-UHFFFAOYSA-N 0 0 378.428 3.423 20 30 GGEDRN N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCC[C@H]1CCC(=O)[O-])CCC2 ZINC001594614140 956227793 /nfs/dbraw/zinc/22/77/93/956227793.db2.gz JRFSGGAWPLAOEY-ZDUSSCGKSA-N 0 0 375.494 3.156 20 30 GGEDRN N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCC[C@@H]1CCC(=O)[O-])CCC2 ZINC001594614138 956228581 /nfs/dbraw/zinc/22/85/81/956228581.db2.gz JRFSGGAWPLAOEY-CYBMUJFWSA-N 0 0 375.494 3.156 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588464396 958491438 /nfs/dbraw/zinc/49/14/38/958491438.db2.gz PAJRUMAWOLSXRD-FFZOFVMBSA-N 0 0 398.528 3.451 20 30 GGEDRN C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@H]2C(=O)[O-])cc1OC ZINC001588466395 958512324 /nfs/dbraw/zinc/51/23/24/958512324.db2.gz NVMGNRKPOHLIBQ-OCCSQVGLSA-N 0 0 384.270 3.365 20 30 GGEDRN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588544997 958990437 /nfs/dbraw/zinc/99/04/37/958990437.db2.gz GDRKAGZUFWSUDH-CVEARBPZSA-N 0 0 375.444 3.038 20 30 GGEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1C#N ZINC001594252539 959622360 /nfs/dbraw/zinc/62/23/60/959622360.db2.gz AMMLNJGRKCAODF-BBRMVZONSA-N 0 0 386.496 3.073 20 30 GGEDRN Cc1cccc([C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C(=O)[O-])c1 ZINC001574395153 961208290 /nfs/dbraw/zinc/20/82/90/961208290.db2.gz UMQYCDCWCJWWHP-GOSISDBHSA-N 0 0 383.473 3.161 20 30 GGEDRN N#Cc1cccc(COc2cccc(C[NH2+][C@@H](Cc3ccncc3)C(=O)[O-])c2)c1 ZINC001574489762 961706476 /nfs/dbraw/zinc/70/64/76/961706476.db2.gz OEYDDCPPIHXDLM-QFIPXVFZSA-N 0 0 387.439 3.318 20 30 GGEDRN C=CC[NH+](CC=C)[C@@H](CNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C(C)C ZINC001341354029 962132133 /nfs/dbraw/zinc/13/21/33/962132133.db2.gz OEXZGXJOPYYESP-UXHICEINSA-N 0 0 385.508 3.079 20 30 GGEDRN C=CC[NH+](CC=C)[C@@H](CNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C(C)C ZINC001341354028 962132674 /nfs/dbraw/zinc/13/26/74/962132674.db2.gz OEXZGXJOPYYESP-PMACEKPBSA-N 0 0 385.508 3.079 20 30 GGEDRN C#CC[N@H+](C[C@H]1CCCC[C@@H]1C(=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001573311444 962703300 /nfs/dbraw/zinc/70/33/00/962703300.db2.gz QKGDSXKAMDXRIG-AEFFLSMTSA-N 0 0 378.513 3.212 20 30 GGEDRN C=C(CCC(=O)[O-])C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001573325468 962795481 /nfs/dbraw/zinc/79/54/81/962795481.db2.gz JUULUSXCVIOUHN-QGZVFWFLSA-N 0 0 398.425 3.320 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](Cc1ccccc1)C(=O)[O-] ZINC001588989317 962796250 /nfs/dbraw/zinc/79/62/50/962796250.db2.gz DLYYUIFDRALWOU-YJBOKZPZSA-N 0 0 397.500 3.305 20 30 GGEDRN C#CCC[N@@H+](CCOC)Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001588446959 964082338 /nfs/dbraw/zinc/08/23/38/964082338.db2.gz AKQROAZAFJUTCT-UHFFFAOYSA-N 0 0 396.274 3.349 20 30 GGEDRN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)cn1 ZINC000873646204 969361001 /nfs/dbraw/zinc/36/10/01/969361001.db2.gz YMZOZBDLBMYIPW-HUUCEWRRSA-N 0 0 392.381 3.001 20 30 GGEDRN C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@]3(C)C(=O)[O-])sc2C1 ZINC001603434252 973197406 /nfs/dbraw/zinc/19/74/06/973197406.db2.gz OLUABVSRBWDCMR-HXPMCKFVSA-N 0 0 375.494 3.012 20 30 GGEDRN N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3ccccc3C(=O)[O-])CC2)cc1 ZINC001605601215 973902028 /nfs/dbraw/zinc/90/20/28/973902028.db2.gz BCZCEOAXKAVXPO-IBGZPJMESA-N 0 0 394.471 3.070 20 30 GGEDRN N#Cc1ccc(Oc2cccc(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)c2)cc1 ZINC001605611838 973921210 /nfs/dbraw/zinc/92/12/10/973921210.db2.gz GNEFQCBJOIFBAQ-UHFFFAOYSA-N 0 0 394.431 3.021 20 30 GGEDRN CC(C)[C@H]([NH2+]CCCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC001591902049 976296546 /nfs/dbraw/zinc/29/65/46/976296546.db2.gz SJVDSQBKXGGKSS-FQEVSTJZSA-N 0 0 395.459 3.169 20 30 GGEDRN CC1(C)CN(C2(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)CCCCC2)CCO1 ZINC000736735711 978353599 /nfs/dbraw/zinc/35/35/99/978353599.db2.gz OUHFFRRWWNBKDF-LJQANCHMSA-N 0 0 385.508 3.087 20 30 GGEDRN CC1(C)CN(C2(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)CCCCC2)CCO1 ZINC000736735710 978353632 /nfs/dbraw/zinc/35/36/32/978353632.db2.gz OUHFFRRWWNBKDF-IBGZPJMESA-N 0 0 385.508 3.087 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC ZINC000736848775 978362078 /nfs/dbraw/zinc/36/20/78/978362078.db2.gz NDODABBBOIURAN-PXNSSMCTSA-N 0 0 379.416 3.163 20 30 GGEDRN CCC(CC)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C(=O)[O-] ZINC001595101206 979404246 /nfs/dbraw/zinc/40/42/46/979404246.db2.gz MNLIBSUNCASPBX-UHFFFAOYSA-N 0 0 396.491 3.196 20 30 GGEDRN C=C(C)C[C@H]([NH2+]Cc1cn(-c2cccc(Br)c2)nc1C)C(=O)[O-] ZINC000864530358 979944937 /nfs/dbraw/zinc/94/49/37/979944937.db2.gz WONNFSZIQPTDHO-INIZCTEOSA-N 0 0 378.270 3.452 20 30 GGEDRN CCC1CCC([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)(C(=O)[O-])CC1 ZINC001595428137 981047885 /nfs/dbraw/zinc/04/78/85/981047885.db2.gz GPESALXQARJORF-UHFFFAOYSA-N 0 0 389.521 3.450 20 30 GGEDRN C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000905750316 981137856 /nfs/dbraw/zinc/13/78/56/981137856.db2.gz PTVBRYRSERDQJM-LBPRGKRZSA-N 0 0 376.865 3.496 20 30 GGEDRN CN(CC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)[C@H]1CCSC1 ZINC000909108068 981418370 /nfs/dbraw/zinc/41/83/70/981418370.db2.gz PZZRJROGCBWANB-FQEVSTJZSA-N 0 0 394.496 3.160 20 30 GGEDRN CC[C@@](C)(C(=O)[O-])[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)CC1CC1 ZINC001594778482 981777379 /nfs/dbraw/zinc/77/73/79/981777379.db2.gz SSEZJERNWVXSFW-VLIAUNLRSA-N 0 0 385.489 3.438 20 30 GGEDRN CC[C@](C)(C(=O)[O-])[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC1CC1 ZINC001594778625 981779518 /nfs/dbraw/zinc/77/95/18/981779518.db2.gz XIEGEGIFEFJLCK-OPAMFIHVSA-N 0 0 392.459 3.189 20 30 GGEDRN CCCC[C@H](C(=O)[O-])[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC001595628046 981780580 /nfs/dbraw/zinc/78/05/80/981780580.db2.gz HWAXKCSVBIHJKE-IAGOWNOFSA-N 0 0 394.313 3.275 20 30 GGEDRN C=CCCC[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000910916469 982163282 /nfs/dbraw/zinc/16/32/82/982163282.db2.gz WBMUIYGOYBWTBH-VQIMIIECSA-N 0 0 398.425 3.367 20 30 GGEDRN C=CC[C@H](C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1)c1ccccc1 ZINC000911338892 982362328 /nfs/dbraw/zinc/36/23/28/982362328.db2.gz IQHLPQARVMZNFJ-NRFANRHFSA-N 0 0 393.487 3.192 20 30 GGEDRN C#C[C@H]([NH2+]Cc1ccccc1OCc1ccc(C(=O)[O-])cc1)C1CCOCC1 ZINC001588377979 983359968 /nfs/dbraw/zinc/35/99/68/983359968.db2.gz SZZDQNAMPPNLIZ-NRFANRHFSA-N 0 0 379.456 3.482 20 30 GGEDRN C#CC[N@H+](Cc1ccc(C(=O)[O-])cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001588469968 983503932 /nfs/dbraw/zinc/50/39/32/983503932.db2.gz WZRXMAFJIYOMLL-UHFFFAOYSA-N 0 0 390.455 3.359 20 30 GGEDRN C=C(C)[C@H]([NH2+]CCCN1C(=O)CS/C1=C\C(=O)[O-])c1ccc(F)c(F)c1 ZINC001588534405 983585373 /nfs/dbraw/zinc/58/53/73/983585373.db2.gz GGHLJZYKHROMHW-VUZIPCMWSA-N 0 0 382.432 3.063 20 30 GGEDRN C=C(CCC(=O)[O-])C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC001588629351 983737018 /nfs/dbraw/zinc/73/70/18/983737018.db2.gz IEEQDLPWHBVRCQ-UHFFFAOYSA-N 0 0 379.888 3.232 20 30 GGEDRN C=C[C@@H](Sc1nc2ccccc2c(=O)n1CC[NH+](C(C)C)C(C)C)C(=O)[O-] ZINC001588714214 983950686 /nfs/dbraw/zinc/95/06/86/983950686.db2.gz BXFCSTSSYXZVKD-QGZVFWFLSA-N 0 0 389.521 3.247 20 30 GGEDRN C=CC[C@H](C(=O)[O-])[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001588728383 983982299 /nfs/dbraw/zinc/98/22/99/983982299.db2.gz JHLUJEYYDWRKIW-UKRRQHHQSA-N 0 0 385.245 3.185 20 30 GGEDRN C=CC[C@H](C(=O)[O-])[N@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001588731673 984010591 /nfs/dbraw/zinc/01/05/91/984010591.db2.gz MMYOIIQHWWWLIZ-USXIJHARSA-N 0 0 378.444 3.148 20 30 GGEDRN CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001596415236 984019676 /nfs/dbraw/zinc/01/96/76/984019676.db2.gz HZEHSQBPLOVSOC-HXUWFJFHSA-N 0 0 377.444 3.000 20 30 GGEDRN C=CC[C@@H](CO)C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001588737981 984031214 /nfs/dbraw/zinc/03/12/14/984031214.db2.gz ZHSYKOCGUFRUDC-LLVKDONJSA-N 0 0 384.263 3.152 20 30 GGEDRN C=CC[C@@H]1[N@H+](CC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)CCCC1(C)C ZINC001588773945 984149976 /nfs/dbraw/zinc/14/99/76/984149976.db2.gz NRMHKXROPCVTEF-KRWDZBQOSA-N 0 0 388.464 3.177 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001588831730 984316295 /nfs/dbraw/zinc/31/62/95/984316295.db2.gz MHKMGBFIJLPNTA-HTAPYJJXSA-N 0 0 398.528 3.380 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001588831733 984316531 /nfs/dbraw/zinc/31/65/31/984316531.db2.gz MHKMGBFIJLPNTA-VGSWGCGISA-N 0 0 398.528 3.380 20 30 GGEDRN C=CCOC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588860496 984413656 /nfs/dbraw/zinc/41/36/56/984413656.db2.gz WHBGMFWVVQMNOQ-IKGGRYGDSA-N 0 0 384.517 3.190 20 30 GGEDRN C=CCOC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588860497 984413728 /nfs/dbraw/zinc/41/37/28/984413728.db2.gz WHBGMFWVVQMNOQ-ULQDDVLXSA-N 0 0 384.517 3.190 20 30 GGEDRN C=CCOC[C@H]([NH2+]Cc1c(C)nn(-c2cc(C)ccc2C)c1Cl)C(=O)[O-] ZINC001588866409 984425085 /nfs/dbraw/zinc/42/50/85/984425085.db2.gz OZSYJAPHCXZRAW-INIZCTEOSA-N 0 0 377.872 3.196 20 30 GGEDRN C=CCOC[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)[O-] ZINC001588866486 984425633 /nfs/dbraw/zinc/42/56/33/984425633.db2.gz NJOPDRICIYZLCA-FQEVSTJZSA-N 0 0 395.434 3.424 20 30 GGEDRN C=CCOC[C@H]([NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1Cl)C(=O)[O-] ZINC001588866909 984428878 /nfs/dbraw/zinc/42/88/78/984428878.db2.gz VQSDYQYACNJZDV-HNNXBMFYSA-N 0 0 384.263 3.233 20 30 GGEDRN C=CCSc1ccccc1NC(=O)CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001588879702 984458305 /nfs/dbraw/zinc/45/83/05/984458305.db2.gz JXWWEDNEZCMZID-INIZCTEOSA-N 0 0 388.411 3.242 20 30 GGEDRN C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cc(C(=O)[O-])oc1C ZINC001588901142 984522769 /nfs/dbraw/zinc/52/27/69/984522769.db2.gz QLIRSDUJTFDNME-UHFFFAOYSA-N 0 0 390.509 3.384 20 30 GGEDRN CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1)c1ccccc1 ZINC001589020865 985009231 /nfs/dbraw/zinc/00/92/31/985009231.db2.gz GJVQOGNDTPKBTF-MGPUTAFESA-N 0 0 383.473 3.071 20 30 GGEDRN CCOCCC[N@@H+](Cc1cc(C#N)ccc1Br)C[C@H](C)C(=O)[O-] ZINC001596914550 985927562 /nfs/dbraw/zinc/92/75/62/985927562.db2.gz ABQBCOCCQHGLEN-ZDUSSCGKSA-N 0 0 383.286 3.270 20 30 GGEDRN Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)C(C)(C)CC(=O)[O-])c1C#N ZINC001599974060 986059609 /nfs/dbraw/zinc/05/96/09/986059609.db2.gz JDKOZCHQIIWRPC-UHFFFAOYSA-N 0 0 396.491 3.149 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC001589331534 986187296 /nfs/dbraw/zinc/18/72/96/986187296.db2.gz HNUCHCBDLJWHLH-NXEZDXNNSA-N 0 0 387.505 3.062 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC001589331535 986187736 /nfs/dbraw/zinc/18/77/36/986187736.db2.gz HNUCHCBDLJWHLH-QZNHQWIBSA-N 0 0 387.505 3.062 20 30 GGEDRN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001594568201 986369533 /nfs/dbraw/zinc/36/95/33/986369533.db2.gz JCTLPCPRJHHWFB-GOSISDBHSA-N 0 0 392.503 3.445 20 30 GGEDRN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001594568210 986370288 /nfs/dbraw/zinc/37/02/88/986370288.db2.gz JCTLPCPRJHHWFB-SFHVURJKSA-N 0 0 392.503 3.445 20 30 GGEDRN C[C@H](C(=O)[O-])[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 ZINC001589470155 986953734 /nfs/dbraw/zinc/95/37/34/986953734.db2.gz XCOYYVGJLHIPSN-ORAYPTAESA-N 0 0 397.500 3.489 20 30 GGEDRN CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC001589627532 987521786 /nfs/dbraw/zinc/52/17/86/987521786.db2.gz FJPIWHZJRLMJPH-UHFFFAOYSA-N 0 0 391.471 3.099 20 30 GGEDRN CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](CCCCC1(C#N)CCC1)C[C@H]2C(=O)[O-] ZINC001589948023 988738962 /nfs/dbraw/zinc/73/89/62/988738962.db2.gz JLRRZNWQTBAIBE-INIZCTEOSA-N 0 0 391.512 3.104 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC12CC[NH+]([C@@H](C(=O)[O-])c1ccc(C#N)cc1)CC2 ZINC001589992562 988903981 /nfs/dbraw/zinc/90/39/81/988903981.db2.gz VWZDRGLNKBOEKY-QGZVFWFLSA-N 0 0 385.464 3.159 20 30 GGEDRN CC(C)(C)OC(=O)N1C[C@@H]2CCCN(Cc3cccc(C(=O)[O-])c3C#N)[C@@H]2C1 ZINC001590091677 989210424 /nfs/dbraw/zinc/21/04/24/989210424.db2.gz RVVFIANVOSUEMI-MAUKXSAKSA-N 0 0 385.464 3.088 20 30 GGEDRN CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001590184986 989536360 /nfs/dbraw/zinc/53/63/60/989536360.db2.gz MVJNSOMBCGUETA-MAUKXSAKSA-N 0 0 387.480 3.311 20 30 GGEDRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+]([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001590215494 989584573 /nfs/dbraw/zinc/58/45/73/989584573.db2.gz GZIMZJMAJTYZKR-SVMVAKDDSA-N 0 0 399.491 3.311 20 30 GGEDRN C[NH+](C)[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)c1cccc(C(F)(F)F)c1 ZINC001598175730 990725413 /nfs/dbraw/zinc/72/54/13/990725413.db2.gz HGCREYHCVWTHEB-INIZCTEOSA-N 0 0 378.354 3.385 20 30 GGEDRN CC(C)([NH2+]CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1cccc(C#N)c1 ZINC001590866966 990763867 /nfs/dbraw/zinc/76/38/67/990763867.db2.gz XZARIVNFHWGWSY-UHFFFAOYSA-N 0 0 383.473 3.270 20 30 GGEDRN C[NH+](C)C1CCN(c2ccc(Nc3ccc(C(=O)[O-])nc3C#N)cc2F)CC1 ZINC001598194222 990798997 /nfs/dbraw/zinc/79/89/97/990798997.db2.gz WICYSDFDCMZORV-UHFFFAOYSA-N 0 0 383.427 3.065 20 30 GGEDRN COc1ccccc1COC1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC001599712467 991395544 /nfs/dbraw/zinc/39/55/44/991395544.db2.gz FXHXKKJMDHENJB-OAQYLSRUSA-N 0 0 380.444 3.374 20 30 GGEDRN COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001599715161 991441063 /nfs/dbraw/zinc/44/10/63/991441063.db2.gz LWJUXZFQEABTNA-YLJYHZDGSA-N 0 0 393.443 3.043 20 30 GGEDRN CC(C)C[C@@H](C(=O)[O-])[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC001591123123 991802913 /nfs/dbraw/zinc/80/29/13/991802913.db2.gz MYODOESYFIPUQK-IRXDYDNUSA-N 0 0 394.313 3.131 20 30 GGEDRN C[N@H+](CCOCC(F)(F)C(F)F)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598496882 992378993 /nfs/dbraw/zinc/37/89/93/992378993.db2.gz NHAOCLWTWOSZJI-NSHDSACASA-N 0 0 377.256 3.078 20 30 GGEDRN Cn1c2ccc(F)cc2c(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)c1C(=O)[O-] ZINC001598506134 992505358 /nfs/dbraw/zinc/50/53/58/992505358.db2.gz VNQNXGAWWIGXBO-IBGZPJMESA-N 0 0 381.407 3.053 20 30 GGEDRN C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598532779 992804518 /nfs/dbraw/zinc/80/45/18/992804518.db2.gz GXVWHZLBWQYDAV-KRWDZBQOSA-N 0 0 399.248 3.226 20 30 GGEDRN C[C@H]([NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001593188879 994105932 /nfs/dbraw/zinc/10/59/32/994105932.db2.gz BWIYZSHBEZICKS-LHSJRXKWSA-N 0 0 397.450 3.135 20 30 GGEDRN C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593237887 994416244 /nfs/dbraw/zinc/41/62/44/994416244.db2.gz UMKICQUSGSBVBQ-GUYCJALGSA-N 0 0 385.851 3.072 20 30 GGEDRN C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)c1ccc(C#N)cc1 ZINC001593240400 994429664 /nfs/dbraw/zinc/42/96/64/994429664.db2.gz OHZAKPIPDSNDDF-GFCCVEGCSA-N 0 0 383.473 3.486 20 30 GGEDRN COc1cccc([C@H](O)C2CC[NH+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC001599658936 994626247 /nfs/dbraw/zinc/62/62/47/994626247.db2.gz IAJFNRNXKVUXDU-NHCUHLMSSA-N 0 0 380.444 3.138 20 30 GGEDRN COc1cccc(COc2ccc(C[NH+]3CCC(C#N)(C(=O)[O-])CC3)cc2)c1 ZINC001599675873 994896033 /nfs/dbraw/zinc/89/60/33/994896033.db2.gz AVXIWVOUTGQEJO-UHFFFAOYSA-N 0 0 380.444 3.465 20 30 GGEDRN C[C@@H](Oc1ccccc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1)C(=O)[O-] ZINC001593645702 995977461 /nfs/dbraw/zinc/97/74/61/995977461.db2.gz LNRAEFPCHZDBBX-QGZVFWFLSA-N 0 0 379.460 3.122 20 30 GGEDRN COC[C@H]([NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC001599174710 996820282 /nfs/dbraw/zinc/82/02/82/996820282.db2.gz XXUVPDUBUVICED-IRXDYDNUSA-N 0 0 389.249 3.424 20 30 GGEDRN COC[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC001599193174 997162707 /nfs/dbraw/zinc/16/27/07/997162707.db2.gz ZGWZENORODVSHV-QFIPXVFZSA-N 0 0 380.444 3.203 20 30 GGEDRN COc1cc(C[NH2+][C@@H](CC(=O)[O-])C2CC2)ccc1OCc1cccc(C#N)c1 ZINC001599415302 997496458 /nfs/dbraw/zinc/49/64/58/997496458.db2.gz ABMOSZCAPAVRBG-IBGZPJMESA-N 0 0 380.444 3.489 20 30 GGEDRN COc1cc(C[NH2+][C@](C)(C(=O)[O-])c2cccc(Br)c2)ccc1C#N ZINC001599416351 997519019 /nfs/dbraw/zinc/51/90/19/997519019.db2.gz UIOGEXFLGXFDST-SFHVURJKSA-N 0 0 389.249 3.419 20 30 GGEDRN COc1cc(C[NH2+][C@H]2CCC[C@H]2C(=O)[O-])ccc1OCc1cccc(C#N)c1 ZINC001599417303 997533450 /nfs/dbraw/zinc/53/34/50/997533450.db2.gz WRRDBZXFHWQFFY-MOPGFXCFSA-N 0 0 380.444 3.489 20 30 GGEDRN COc1ccc([C@H](O)C2CC[NH+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC001599531675 997666239 /nfs/dbraw/zinc/66/62/39/997666239.db2.gz JHJGGEXMMXLVOC-SFTDATJTSA-N 0 0 380.444 3.138 20 30 GGEDRN COc1cc(C#N)ccc1C[NH2+][C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC001599347783 998038906 /nfs/dbraw/zinc/03/89/06/998038906.db2.gz LLZCOFAPDWALHK-GOSISDBHSA-N 0 0 389.249 3.419 20 30 GGEDRN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1ccc(C)c(C#N)c1)CC2 ZINC001599465504 998353103 /nfs/dbraw/zinc/35/31/03/998353103.db2.gz KIRUNSIQSUFGOZ-LJQANCHMSA-N 0 0 380.444 3.458 20 30 GGEDRN COC(=O)c1cccc([C@H](C(=O)[O-])[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001598995226 998773462 /nfs/dbraw/zinc/77/34/62/998773462.db2.gz GPIBOGRXUJAVCV-HXUWFJFHSA-N 0 0 378.428 3.350 20 30 GGEDRN C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)n1 ZINC001594287657 999113241 /nfs/dbraw/zinc/11/32/41/999113241.db2.gz YLISCGHKEKDILJ-XVGQJIODSA-N 0 0 380.448 3.145 20 30 GGEDRN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001594292769 999129515 /nfs/dbraw/zinc/12/95/15/999129515.db2.gz UGERWSHTWPAIOQ-DDDLWCFWSA-N 0 0 397.519 3.034 20 30 GGEDRN C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](C(=O)[O-])C1 ZINC001594418854 999563383 /nfs/dbraw/zinc/56/33/83/999563383.db2.gz KVJORTCRPOEOHV-WFASDCNBSA-N 0 0 375.494 3.012 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCCC[C@H]3C(=O)[O-])sc2C1 ZINC001594441436 999627176 /nfs/dbraw/zinc/62/71/76/999627176.db2.gz CIIXSCIPCCNWMS-CJNGLKHVSA-N 0 0 389.521 3.402 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C(C)(C)CC(=O)[O-])sc2C1 ZINC001594442602 999629770 /nfs/dbraw/zinc/62/97/70/999629770.db2.gz VTALMGQIUSXOSO-GFCCVEGCSA-N 0 0 377.510 3.258 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C3(C(=O)[O-])CCCC3)sc2C1 ZINC001594442710 999630287 /nfs/dbraw/zinc/63/02/87/999630287.db2.gz YYWZCUMMLGJFDL-CYBMUJFWSA-N 0 0 389.521 3.402 20 30 GGEDRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000426758432 1126088426 /nfs/dbraw/zinc/08/84/26/1126088426.db2.gz HZZXCRYCTIZROI-LLVKDONJSA-N 0 0 399.266 3.303 20 30 GGEDRN 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GGEDRN C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)N(C)CCC ZINC000120119835 564304550 /nfs/dbraw/zinc/30/45/50/564304550.db2.gz WVCPTDRWJRPPDQ-UHFFFAOYSA-N 0 0 379.295 3.163 20 30 GGEDRN C=CCn1nnnc1SCc1ccnc(-c2ccc(Br)cc2)n1 ZINC000120192262 564309113 /nfs/dbraw/zinc/30/91/13/564309113.db2.gz AHIAWKXFVXMCDT-UHFFFAOYSA-N 0 0 389.282 3.371 20 30 GGEDRN C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccccc2Br)C1=O ZINC000021242177 564309899 /nfs/dbraw/zinc/30/98/99/564309899.db2.gz WHJLBNQQORQKDB-GOSISDBHSA-N 0 0 384.233 3.288 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nncn1-c1cccc(Cl)c1 ZINC000021463821 564310979 /nfs/dbraw/zinc/31/09/79/564310979.db2.gz JMMODMBAVURLQD-PXAZEXFGSA-N 0 0 377.901 3.456 20 30 GGEDRN N#Cc1cc(C#N)c(SCC(=O)Nc2cccc(Cl)c2Cl)nc1N ZINC000021424554 564310988 /nfs/dbraw/zinc/31/09/88/564310988.db2.gz KHHOKZZIIZLLCS-UHFFFAOYSA-N 0 0 378.244 3.445 20 30 GGEDRN C[C@@H](CC#N)N(C)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000120283042 564312978 /nfs/dbraw/zinc/31/29/78/564312978.db2.gz BFTYGSKJOZOSMA-ZETCQYMHSA-N 0 0 379.148 3.335 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000021930446 564313257 /nfs/dbraw/zinc/31/32/57/564313257.db2.gz WNTDAVKBXUJVCW-UHFFFAOYSA-N 0 0 378.519 3.263 20 30 GGEDRN C[C@H](CC#N)N(C)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000120283211 564313769 /nfs/dbraw/zinc/31/37/69/564313769.db2.gz BFTYGSKJOZOSMA-SSDOTTSWSA-N 0 0 379.148 3.335 20 30 GGEDRN Cn1ccnc1[C@H](O)[C@H]1CCCN(c2ccc(C#N)cc2Br)C1 ZINC000120300355 564313969 /nfs/dbraw/zinc/31/39/69/564313969.db2.gz LCZAAPROKIAQMT-XJKSGUPXSA-N 0 0 375.270 3.004 20 30 GGEDRN C=CCNc1nnc(S[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)s1 ZINC000022346665 564316456 /nfs/dbraw/zinc/31/64/56/564316456.db2.gz ZJTFCPPRJGQFOT-JTQLQIEISA-N 0 0 377.495 3.214 20 30 GGEDRN CN(Cc1ccc(Br)cc1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000120411972 564318819 /nfs/dbraw/zinc/31/88/19/564318819.db2.gz BXIMSOTZXPPKCB-UHFFFAOYSA-N 0 0 397.269 3.422 20 30 GGEDRN C=CCN(CC=C)C(=O)[C@@H](C)SCc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000022739222 564319559 /nfs/dbraw/zinc/31/95/59/564319559.db2.gz CXSJKMQWADOTHT-CYBMUJFWSA-N 0 0 377.535 3.424 20 30 GGEDRN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NOC)ccc1Cl ZINC000023041177 564320676 /nfs/dbraw/zinc/32/06/76/564320676.db2.gz NCWLXDVZEVTGJH-UHFFFAOYSA-N 0 0 380.853 3.013 20 30 GGEDRN N#CCOc1ccc(NC(=O)c2ccccc2I)cc1 ZINC000023150607 564322355 /nfs/dbraw/zinc/32/23/55/564322355.db2.gz OVWUPDJVYCGZQT-UHFFFAOYSA-N 0 0 378.169 3.446 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)NCC)ccc1C ZINC000023739208 564326302 /nfs/dbraw/zinc/32/63/02/564326302.db2.gz DCWDOCYXFNCJPH-UHFFFAOYSA-N 0 0 378.519 3.183 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N(CC=C)Cc2cccs2)c1 ZINC000023739192 564326436 /nfs/dbraw/zinc/32/64/36/564326436.db2.gz CYTAZIVPHLKJSE-UHFFFAOYSA-N 0 0 376.503 3.041 20 30 GGEDRN COC(=O)CN(CC#N)C(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC000120583566 564327032 /nfs/dbraw/zinc/32/70/32/564327032.db2.gz WQMGAMJKEVXRDZ-UHFFFAOYSA-N 0 0 393.262 3.316 20 30 GGEDRN CN(CC(=O)Nc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C#N)cc1 ZINC000024354533 564329908 /nfs/dbraw/zinc/32/99/08/564329908.db2.gz RUGPMEIVCJEXFI-UHFFFAOYSA-N 0 0 398.271 3.124 20 30 GGEDRN Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2C#N)cc1Br ZINC000120778929 564337076 /nfs/dbraw/zinc/33/70/76/564337076.db2.gz MBGJZPWDLWHYRF-UHFFFAOYSA-N 0 0 376.185 3.346 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)CNC(=O)c2ccc(Br)o2)cc1 ZINC000025438840 564338838 /nfs/dbraw/zinc/33/88/38/564338838.db2.gz JRVLDADRTWGIMJ-UHFFFAOYSA-N 0 0 390.237 3.212 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(Br)s1 ZINC000025515510 564339529 /nfs/dbraw/zinc/33/95/29/564339529.db2.gz HAPUZSJLMOAQJL-UHFFFAOYSA-N 0 0 395.326 3.487 20 30 GGEDRN C=CCn1c2ncn(Cc3cc(C(=O)OC)sc3C)c(=O)c2sc1=S ZINC000120856596 564340258 /nfs/dbraw/zinc/34/02/58/564340258.db2.gz NTIFUFIVLWSJRH-UHFFFAOYSA-N 0 0 393.515 3.380 20 30 GGEDRN CN(Cc1ccccc1Br)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025866832 564341609 /nfs/dbraw/zinc/34/16/09/564341609.db2.gz VJGHDYRIEJKVAE-QGZVFWFLSA-N 0 0 389.293 3.387 20 30 GGEDRN N#Cc1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccc1Cl ZINC000025766665 564341850 /nfs/dbraw/zinc/34/18/50/564341850.db2.gz TUBXNTIXVVBXNL-UHFFFAOYSA-N 0 0 375.837 3.139 20 30 GGEDRN CN(Cc1ccccc1Br)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025866836 564341873 /nfs/dbraw/zinc/34/18/73/564341873.db2.gz VJGHDYRIEJKVAE-KRWDZBQOSA-N 0 0 389.293 3.387 20 30 GGEDRN CCOCCCNC(=O)[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N ZINC000026143711 564344442 /nfs/dbraw/zinc/34/44/42/564344442.db2.gz OFLBPSBSZMEVPW-NSHDSACASA-N 0 0 375.416 3.304 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1Br ZINC000120937245 564344415 /nfs/dbraw/zinc/34/44/15/564344415.db2.gz ATMPCLIQNVACIK-LBPRGKRZSA-N 0 0 386.249 3.445 20 30 GGEDRN C[C@@](C#N)(NC(=O)CN(Cc1cccc(Br)c1)C1CC1)C1CC1 ZINC000026446507 564347040 /nfs/dbraw/zinc/34/70/40/564347040.db2.gz DIJBLDBFWSEIDK-SFHVURJKSA-N 0 0 376.298 3.222 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)NCc2cc(C#N)ccc2F)c1Br ZINC000121079548 564352227 /nfs/dbraw/zinc/35/22/27/564352227.db2.gz XLGSLUJFMHPDES-UHFFFAOYSA-N 0 0 390.212 3.023 20 30 GGEDRN C=CCn1c(SCCN2C(=O)CCC2=O)nnc1-c1ccc(Cl)cc1 ZINC000028012445 564358628 /nfs/dbraw/zinc/35/86/28/564358628.db2.gz NLLLCAOOTHDLEZ-UHFFFAOYSA-N 0 0 376.869 3.026 20 30 GGEDRN C[C@@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccc(Cl)s1 ZINC000028410810 564362516 /nfs/dbraw/zinc/36/25/16/564362516.db2.gz KOPKBDPDFVQTMH-GFCCVEGCSA-N 0 0 375.885 3.261 20 30 GGEDRN C=CCNC(=O)CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000028660677 564363940 /nfs/dbraw/zinc/36/39/40/564363940.db2.gz YSBRNRHZOAHSQA-JTQLQIEISA-N 0 0 375.475 3.341 20 30 GGEDRN CSCCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000121346888 564364602 /nfs/dbraw/zinc/36/46/02/564364602.db2.gz CBHGMRVPVKRCGW-UHFFFAOYSA-N 0 0 377.447 3.173 20 30 GGEDRN N#Cc1ccsc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000121345509 564364805 /nfs/dbraw/zinc/36/48/05/564364805.db2.gz AZPVWOWLKLDWDN-NSHDSACASA-N 0 0 390.262 3.374 20 30 GGEDRN CCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000121384926 564366757 /nfs/dbraw/zinc/36/67/57/564366757.db2.gz YFMPSLWGFWVULA-UHFFFAOYSA-N 0 0 377.853 3.152 20 30 GGEDRN C=CCN(C)C(=O)C(=O)Nc1ccnn1[C@@H](C)c1cc(Cl)ccc1Cl ZINC000121442811 564369589 /nfs/dbraw/zinc/36/95/89/564369589.db2.gz RNAAIEYJFPPZOF-NSHDSACASA-N 0 0 381.263 3.382 20 30 GGEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000121442787 564369634 /nfs/dbraw/zinc/36/96/34/564369634.db2.gz GBTWYJNGCYEVNC-UHFFFAOYSA-N 0 0 377.809 3.087 20 30 GGEDRN N#Cc1cc(Br)cc(S(=O)(=O)N2CCSc3ccncc32)c1 ZINC000121468312 564370638 /nfs/dbraw/zinc/37/06/38/564370638.db2.gz GOJLMODNNOVKIC-UHFFFAOYSA-N 0 0 396.291 3.017 20 30 GGEDRN Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000121464282 564371013 /nfs/dbraw/zinc/37/10/13/564371013.db2.gz JDYVMTJJFCYHNK-UHFFFAOYSA-N 0 0 377.853 3.023 20 30 GGEDRN CCCC(C#N)(CCC)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000121550922 564373693 /nfs/dbraw/zinc/37/36/93/564373693.db2.gz CHQSMPDDNXCDAR-UHFFFAOYSA-N 0 0 391.946 3.001 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)c3occc3Br)CC2)nc1 ZINC000121573559 564375724 /nfs/dbraw/zinc/37/57/24/564375724.db2.gz CJBVELUYXPINEP-UHFFFAOYSA-N 0 0 390.237 3.429 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)c1cc(I)c(F)cc1F ZINC000121604406 564377830 /nfs/dbraw/zinc/37/78/30/564377830.db2.gz UQYWHBVFWIGDJN-MRVPVSSYSA-N 0 0 378.160 3.191 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1 ZINC000030303087 564379152 /nfs/dbraw/zinc/37/91/52/564379152.db2.gz SDKOVUMDGLJJIT-UHFFFAOYSA-N 0 0 376.503 3.017 20 30 GGEDRN COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000030360052 564379963 /nfs/dbraw/zinc/37/99/63/564379963.db2.gz UCZXLRJPTHFKLP-LLVKDONJSA-N 0 0 395.278 3.369 20 30 GGEDRN C=CCN1C(=S)N=NC1c1sc(NC(=O)CSC(F)(F)F)nc1C ZINC000030600443 564383515 /nfs/dbraw/zinc/38/35/15/564383515.db2.gz AYGAQFVODRXWPC-UHFFFAOYSA-N 0 0 395.457 3.376 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N(Cc2cccs2)C2CC2)c1 ZINC000030841184 564384519 /nfs/dbraw/zinc/38/45/19/564384519.db2.gz JBKFBHRYOCNFLL-UHFFFAOYSA-N 0 0 376.503 3.017 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000121784149 564386443 /nfs/dbraw/zinc/38/64/43/564386443.db2.gz NHOKCPDHDHFQBK-UHFFFAOYSA-N 0 0 376.243 3.253 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1O ZINC000031225024 564387093 /nfs/dbraw/zinc/38/70/93/564387093.db2.gz FQWQZZNTCRDSMP-UHFFFAOYSA-N 0 0 391.221 3.443 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(C)ccn1 ZINC000031215527 564387335 /nfs/dbraw/zinc/38/73/35/564387335.db2.gz KZCBDGIDVMCYAB-UHFFFAOYSA-N 0 0 390.237 3.440 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000031403023 564389049 /nfs/dbraw/zinc/38/90/49/564389049.db2.gz GVDWGVFXVLQEEH-UHFFFAOYSA-N 0 0 378.201 3.015 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)NC2(c3cccc(Br)c3)CC2)c1 ZINC000121887142 564391570 /nfs/dbraw/zinc/39/15/70/564391570.db2.gz APKNGCAASLRKPW-UHFFFAOYSA-N 0 0 391.290 3.429 20 30 GGEDRN C=CCNc1nnc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)s1 ZINC000031839972 564393693 /nfs/dbraw/zinc/39/36/93/564393693.db2.gz RPDKUJBRLKYLLJ-UHFFFAOYSA-N 0 0 376.423 3.387 20 30 GGEDRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H](C#N)C(C)(C)C ZINC000122172684 564403088 /nfs/dbraw/zinc/40/30/88/564403088.db2.gz SOAXNYVYPGQRME-CZUORRHYSA-N 0 0 382.551 3.405 20 30 GGEDRN N#Cc1cc(Br)cc(S(=O)(=O)N2CCSc3ncccc32)c1 ZINC000122179550 564403639 /nfs/dbraw/zinc/40/36/39/564403639.db2.gz IWDQVOZJNIICTQ-UHFFFAOYSA-N 0 0 396.291 3.017 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)c1cc(I)ccc1O ZINC000032615593 564403734 /nfs/dbraw/zinc/40/37/34/564403734.db2.gz KYAZEGWLENDCRH-UHFFFAOYSA-N 0 0 392.196 3.141 20 30 GGEDRN Cc1cc(Br)oc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000122207255 564403865 /nfs/dbraw/zinc/40/38/65/564403865.db2.gz VLLLMRUFLMRDSH-OAHLLOKOSA-N 0 0 388.265 3.373 20 30 GGEDRN Cc1cc(Br)oc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000122207053 564404106 /nfs/dbraw/zinc/40/41/06/564404106.db2.gz VLLLMRUFLMRDSH-HNNXBMFYSA-N 0 0 388.265 3.373 20 30 GGEDRN 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ZINC000125825669 564528020 /nfs/dbraw/zinc/52/80/20/564528020.db2.gz AJNSMLWNDKFRLW-DYVFJYSZSA-N 0 0 376.298 3.204 20 30 GGEDRN N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCCS2)CC1 ZINC000125824576 564528091 /nfs/dbraw/zinc/52/80/91/564528091.db2.gz FACOCHYWNIZDMT-HZPDHXFCSA-N 0 0 394.338 3.054 20 30 GGEDRN C[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)Nc1cc(Cl)ccc1F ZINC000125973250 564533249 /nfs/dbraw/zinc/53/32/49/564533249.db2.gz HLXGASVDFGPLEQ-QMMMGPOBSA-N 0 0 375.816 3.319 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000126171736 564540209 /nfs/dbraw/zinc/54/02/09/564540209.db2.gz IYUWWVOOLIHLNI-UHFFFAOYSA-N 0 0 388.240 3.422 20 30 GGEDRN N#CCCN(Cc1cccnc1)S(=O)(=O)c1sccc1Br ZINC000048444183 564540293 /nfs/dbraw/zinc/54/02/93/564540293.db2.gz OAWVJSJNNWBTCD-UHFFFAOYSA-N 0 0 386.296 3.010 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)c2csc(Br)c2)CC1 ZINC000126270667 564542739 /nfs/dbraw/zinc/54/27/39/564542739.db2.gz HLVVAWZZMYUADQ-UHFFFAOYSA-N 0 0 376.279 3.345 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2ccncc2Br)cc1 ZINC000126305148 564544973 /nfs/dbraw/zinc/54/49/73/564544973.db2.gz OXKOADDNNYVESO-UHFFFAOYSA-N 0 0 375.226 3.404 20 30 GGEDRN COc1ccc(CCCN(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000126326031 564545640 /nfs/dbraw/zinc/54/56/40/564545640.db2.gz YPYCZZGLNSLJBG-UHFFFAOYSA-N 0 0 378.881 3.474 20 30 GGEDRN Cc1nc(C)c(C#N)c(S[C@H](C(N)=O)c2ccc(Br)cc2F)n1 ZINC000126391157 564547692 /nfs/dbraw/zinc/54/76/92/564547692.db2.gz CDBIOHYWVHIYMU-ZDUSSCGKSA-N 0 0 395.257 3.185 20 30 GGEDRN CC(C)(C)CN(CCC#N)C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000126495262 564551420 /nfs/dbraw/zinc/55/14/20/564551420.db2.gz PDDOTUKBNNYGFE-UHFFFAOYSA-N 0 0 394.273 3.084 20 30 GGEDRN COc1ccc(Br)cc1CN(C)C(=O)CNc1ccc(C#N)cc1 ZINC000050024895 564555525 /nfs/dbraw/zinc/55/55/25/564555525.db2.gz DFMKIRHYUZPAJI-UHFFFAOYSA-N 0 0 388.265 3.400 20 30 GGEDRN CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cc(C#N)ccc1OC ZINC000050168598 564556425 /nfs/dbraw/zinc/55/64/25/564556425.db2.gz UCERKTGRRJYOJO-UHFFFAOYSA-N 0 0 377.853 3.269 20 30 GGEDRN COc1ccc(I)c(NC(=O)c2cccc(C#N)c2)c1 ZINC000050492392 564558595 /nfs/dbraw/zinc/55/85/95/564558595.db2.gz XWUNZDKVLGZJFT-UHFFFAOYSA-N 0 0 378.169 3.424 20 30 GGEDRN COc1cc(C(=O)NCC#N)ccc1OCc1ccc(Br)s1 ZINC000126753307 564560777 /nfs/dbraw/zinc/56/07/77/564560777.db2.gz MZNBDFJFPQFZPG-UHFFFAOYSA-N 0 0 381.251 3.352 20 30 GGEDRN CC(=O)N[C@H](CC(=O)Nc1n[nH]c(C(F)(F)F)n1)c1ccc(Cl)cc1 ZINC000051265886 564563064 /nfs/dbraw/zinc/56/30/64/564563064.db2.gz HSLYSORMWLHYBW-SNVBAGLBSA-N 0 0 375.738 3.332 20 30 GGEDRN N#Cc1c(Cl)nsc1N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000051379128 564564083 /nfs/dbraw/zinc/56/40/83/564564083.db2.gz PJAZBYBCFSHHKQ-UHFFFAOYSA-N 0 0 396.303 3.082 20 30 GGEDRN C=CCc1cc(CNC(=O)c2cc(Br)cn2C)cc(OC)c1OC ZINC000051470942 564565150 /nfs/dbraw/zinc/56/51/50/564565150.db2.gz BUHXSTNIKSKNAC-UHFFFAOYSA-N 0 0 393.281 3.463 20 30 GGEDRN CC[C@H](SC)C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000126869429 564565715 /nfs/dbraw/zinc/56/57/15/564565715.db2.gz 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/nfs/dbraw/zinc/56/92/17/564569217.db2.gz ORSCIVDEYLZABH-UHFFFAOYSA-N 0 0 385.251 3.423 20 30 GGEDRN N#Cc1ccsc1C(=O)Nc1ncn(Cc2ccc(Br)cc2)n1 ZINC000052033566 564569226 /nfs/dbraw/zinc/56/92/26/564569226.db2.gz FBZCZTXDYCNWGG-UHFFFAOYSA-N 0 0 388.250 3.274 20 30 GGEDRN N#Cc1ccsc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000052028553 564569252 /nfs/dbraw/zinc/56/92/52/564569252.db2.gz XOYXVOLXLUWVOW-UHFFFAOYSA-N 0 0 395.893 3.310 20 30 GGEDRN CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)c2sccc2C#N)c1 ZINC000052032615 564569665 /nfs/dbraw/zinc/56/96/65/564569665.db2.gz LTHKLZGAKLHQPP-UHFFFAOYSA-N 0 0 377.491 3.090 20 30 GGEDRN CCOC(=O)CSc1nnc(NC(=O)c2cc(C)n(C(C)(C)C)n2)s1 ZINC000052282766 564570674 /nfs/dbraw/zinc/57/06/74/564570674.db2.gz AWKIQGOUFBDZNR-UHFFFAOYSA-N 0 0 383.499 3.090 20 30 GGEDRN CC[C@](C)(C#N)NC(=O)CCCOc1ccc(I)cc1 ZINC000127008363 564570735 /nfs/dbraw/zinc/57/07/35/564570735.db2.gz PGMDPQSJCIDTOZ-OAHLLOKOSA-N 0 0 386.233 3.259 20 30 GGEDRN COc1ccccc1Nc1nnc(S[C@H](C)C(=O)N(C)CCC#N)s1 ZINC000052425167 564571405 /nfs/dbraw/zinc/57/14/05/564571405.db2.gz YKZOZEOXKYUVIJ-LLVKDONJSA-N 0 0 377.495 3.143 20 30 GGEDRN C[C@H](Nc1snc(Cl)c1C#N)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000052411607 564571431 /nfs/dbraw/zinc/57/14/31/564571431.db2.gz ZOCJHQRRPREJTK-JTQLQIEISA-N 0 0 376.869 3.499 20 30 GGEDRN N#Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000052431680 564571574 /nfs/dbraw/zinc/57/15/74/564571574.db2.gz UKLRCNKZOFBLRZ-UHFFFAOYSA-N 0 0 378.219 3.495 20 30 GGEDRN C=CCCOCCNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000127071616 564572117 /nfs/dbraw/zinc/57/21/17/564572117.db2.gz YTNIUGRGDRDGAK-INIZCTEOSA-N 0 0 383.286 3.125 20 30 GGEDRN N#CCCN(CCC#N)C(=O)CNc1cc(Br)c(F)cc1Cl ZINC000127060027 564572416 /nfs/dbraw/zinc/57/24/16/564572416.db2.gz VSNHHPCXWSYAAQ-UHFFFAOYSA-N 0 0 387.640 3.309 20 30 GGEDRN COCCn1c2ccc(Cl)cc2nc1S[C@@H](C)C(=O)N(C)CCC#N ZINC000052448752 564572420 /nfs/dbraw/zinc/57/24/20/564572420.db2.gz PIOQUPTYVNTAFJ-LBPRGKRZSA-N 0 0 380.901 3.189 20 30 GGEDRN CCn1c(S[C@@H](C)C(=O)N(C)CCC#N)nnc1-c1cccc(Cl)c1 ZINC000052442144 564572623 /nfs/dbraw/zinc/57/26/23/564572623.db2.gz POPMJHAWKXVNTO-LBPRGKRZSA-N 0 0 377.901 3.471 20 30 GGEDRN COCCN(Cc1ccccn1)C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000052495903 564572955 /nfs/dbraw/zinc/57/29/55/564572955.db2.gz SIFJUKDRTGGVHU-UHFFFAOYSA-N 0 0 375.479 3.356 20 30 GGEDRN CCOC(=O)N[C@H]1CCCN(C(=O)Nc2nnc(-c3ccsc3)s2)C1 ZINC000052495996 564573203 /nfs/dbraw/zinc/57/32/03/564573203.db2.gz OKTVJKINUQCCFP-NSHDSACASA-N 0 0 381.483 3.023 20 30 GGEDRN CC[C@@H](C#N)Sc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)o1 ZINC000127094386 564573423 /nfs/dbraw/zinc/57/34/23/564573423.db2.gz HJLSSRSTJSHIQP-ZDUSSCGKSA-N 0 0 380.495 3.161 20 30 GGEDRN N#CC1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CCCC1 ZINC000052738376 564576274 /nfs/dbraw/zinc/57/62/74/564576274.db2.gz PFNKREYICDBAFY-UHFFFAOYSA-N 0 0 381.885 3.147 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)c2sccc2Br)CC1 ZINC000052716722 564576527 /nfs/dbraw/zinc/57/65/27/564576527.db2.gz NLKXHXKFLMOSEO-UHFFFAOYSA-N 0 0 394.269 3.484 20 30 GGEDRN Cc1cc(Br)oc1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000052716791 564576563 /nfs/dbraw/zinc/57/65/63/564576563.db2.gz DLSRCPZTFZKUKX-UHFFFAOYSA-N 0 0 392.228 3.324 20 30 GGEDRN Cc1ccc(Br)c(S(=O)(=O)N(CCC#N)Cc2ccccn2)c1 ZINC000127221104 564576987 /nfs/dbraw/zinc/57/69/87/564576987.db2.gz NPNNIHMAAYCFFD-UHFFFAOYSA-N 0 0 394.294 3.257 20 30 GGEDRN CC[C@@](C)(C#N)NC(=O)CCSCC(=O)Nc1ccc(Br)cc1 ZINC000127193966 564577138 /nfs/dbraw/zinc/57/71/38/564577138.db2.gz UEISHGJAPOZIOO-INIZCTEOSA-N 0 0 398.326 3.319 20 30 GGEDRN CC[C@H](C#N)Sc1nc2ccc(Br)cc2c(=O)n1CCOC ZINC000127219102 564577162 /nfs/dbraw/zinc/57/71/62/564577162.db2.gz FTPAKYAACQOSSG-LLVKDONJSA-N 0 0 382.283 3.200 20 30 GGEDRN N#CCSc1ccccc1NC(=O)CSc1nnc(N2CCCC2)s1 ZINC000052911956 564578710 /nfs/dbraw/zinc/57/87/10/564578710.db2.gz OOSRCAUTTIYIAD-UHFFFAOYSA-N 0 0 391.547 3.485 20 30 GGEDRN CC[C@@H](C#N)NS(=O)(=O)c1cc(Br)c(C)cc1Br ZINC000127303323 564579716 /nfs/dbraw/zinc/57/97/16/564579716.db2.gz FCNDHXJNEAACKV-QMMMGPOBSA-N 0 0 396.104 3.101 20 30 GGEDRN COC(=O)C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000052973762 564580419 /nfs/dbraw/zinc/58/04/19/564580419.db2.gz KOQFDIHYVUAJOI-MRXNPFEDSA-N 0 0 387.233 3.355 20 30 GGEDRN C[C@@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)N(C)CCC#N ZINC000053010123 564581149 /nfs/dbraw/zinc/58/11/49/564581149.db2.gz GUNPDNRTHCXQEC-LLVKDONJSA-N 0 0 379.486 3.142 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)[C@@H]2COc3ccc(Br)cc32)n1 ZINC000127465413 564584010 /nfs/dbraw/zinc/58/40/10/564584010.db2.gz FZHMJEDRSUURNA-CYBMUJFWSA-N 0 0 389.253 3.387 20 30 GGEDRN C=CCNc1nnc(SCC(=O)NCCOc2c(C)cccc2C)s1 ZINC000053280777 564584111 /nfs/dbraw/zinc/58/41/11/564584111.db2.gz ASEDGIFIIKUIRS-UHFFFAOYSA-N 0 0 378.523 3.040 20 30 GGEDRN C=CCn1c(N)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000127524160 564586814 /nfs/dbraw/zinc/58/68/14/564586814.db2.gz OWGKBUOQFWZASL-UHFFFAOYSA-N 0 0 391.806 3.449 20 30 GGEDRN C=CCn1c(N)nnc1SCc1nc(-c2cccc(Br)c2)no1 ZINC000127538742 564587141 /nfs/dbraw/zinc/58/71/41/564587141.db2.gz HKWQEDOBJKJLRK-UHFFFAOYSA-N 0 0 393.270 3.151 20 30 GGEDRN C=CCn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nnc1C1CC1 ZINC000053424547 564588714 /nfs/dbraw/zinc/58/87/14/564588714.db2.gz BHTVLDHZUHWZCH-UHFFFAOYSA-N 0 0 375.523 3.408 20 30 GGEDRN CCN(CCC#N)C(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000053454513 564589642 /nfs/dbraw/zinc/58/96/42/564589642.db2.gz DVVMXJOHASNESF-UHFFFAOYSA-N 0 0 391.806 3.256 20 30 GGEDRN CCCNC(=O)CSc1nnc(SCCOc2cccc(C#N)c2)s1 ZINC000053504603 564589767 /nfs/dbraw/zinc/58/97/67/564589767.db2.gz RWTQZGLVKGDUDV-UHFFFAOYSA-N 0 0 394.547 3.199 20 30 GGEDRN Cc1ccc(-n2cnnc2SCC(=O)N(CCC#N)C(C)C)cc1Cl ZINC000053485602 564589785 /nfs/dbraw/zinc/58/97/85/564589785.db2.gz ZDADMGKUXBCGNS-UHFFFAOYSA-N 0 0 377.901 3.472 20 30 GGEDRN N#C[C@@H](NC(=O)CSCc1cccnc1)c1cccc(Br)c1 ZINC000127651592 564590684 /nfs/dbraw/zinc/59/06/84/564590684.db2.gz GFHDXONGIBCKGU-OAHLLOKOSA-N 0 0 376.279 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392.640 3.229 20 30 GGEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCOc1ccc(Br)cc1 ZINC000065765263 564749530 /nfs/dbraw/zinc/74/95/30/564749530.db2.gz XBJZOMMKGFYPGV-CYBMUJFWSA-N 0 0 389.249 3.283 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000065834364 564750373 /nfs/dbraw/zinc/75/03/73/564750373.db2.gz FVQGYDLVASGGOJ-UHFFFAOYSA-N 0 0 376.503 3.041 20 30 GGEDRN C=CCN1C(=S)N=NC1c1sc(NC(=O)C2=C(C)OCCC2)nc1C ZINC000132706250 564750749 /nfs/dbraw/zinc/75/07/49/564750749.db2.gz RRAYUHHVSPTJHC-UHFFFAOYSA-N 0 0 377.495 3.208 20 30 GGEDRN N#CCN(C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)C1CC1 ZINC000065894740 564751709 /nfs/dbraw/zinc/75/17/09/564751709.db2.gz NIXQFBXKKYHGNJ-UHFFFAOYSA-N 0 0 388.221 3.423 20 30 GGEDRN C=CCN(CC=C)C(=O)COc1c(Br)cc(C#N)cc1OCC ZINC000066059614 564754944 /nfs/dbraw/zinc/75/49/44/564754944.db2.gz BEBSDUYRBKAMFF-UHFFFAOYSA-N 0 0 379.254 3.299 20 30 GGEDRN N#Cc1cnn(-c2ccc(C(=O)Nc3cccc(Br)c3)cc2)c1N ZINC000066239564 564758114 /nfs/dbraw/zinc/75/81/14/564758114.db2.gz 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/nfs/dbraw/zinc/86/08/63/564860863.db2.gz QDNRVHUBZXGRHS-GOSISDBHSA-N 0 0 384.233 3.288 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)Cc1ccccc1I ZINC000137367857 564862161 /nfs/dbraw/zinc/86/21/61/564862161.db2.gz FRHQIRLPWHWPMC-UHFFFAOYSA-N 0 0 390.224 3.364 20 30 GGEDRN COc1ccc(NS(=O)(=O)c2cccc(C)c2C#N)c(Br)c1 ZINC000137411522 564862179 /nfs/dbraw/zinc/86/21/79/564862179.db2.gz HJEPYECEHFHFBX-UHFFFAOYSA-N 0 0 381.251 3.439 20 30 GGEDRN N#Cc1cc(NC(=O)Cc2ccccc2I)ccc1F ZINC000137544028 564863028 /nfs/dbraw/zinc/86/30/28/564863028.db2.gz QZVWJUOILRUBJS-UHFFFAOYSA-N 0 0 380.160 3.483 20 30 GGEDRN C=CCN(CC=C)C(=O)[C@@H](C)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000138346427 564865732 /nfs/dbraw/zinc/86/57/32/564865732.db2.gz UXASJVMUIBHDKV-QAPCUYQASA-N 0 0 393.325 3.412 20 30 GGEDRN N#Cc1cccc(OCCn2cnc3c(F)cc(Br)cc3c2=O)c1 ZINC000079072942 564867084 /nfs/dbraw/zinc/86/70/84/564867084.db2.gz GAALFEUWNHYOSZ-UHFFFAOYSA-N 0 0 388.196 3.249 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000084325772 564869384 /nfs/dbraw/zinc/86/93/84/564869384.db2.gz GIQYXKIYWQLHSW-UHFFFAOYSA-N 0 0 379.869 3.424 20 30 GGEDRN CN(C(=O)CSc1n[nH]c(Cc2cccs2)n1)C1(C#N)CCCCC1 ZINC000141556957 564874286 /nfs/dbraw/zinc/87/42/86/564874286.db2.gz FHPNMHNPDVHKKR-UHFFFAOYSA-N 0 0 375.523 3.234 20 30 GGEDRN C=CCN(Cc1cc(Cl)ccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000092361195 564876215 /nfs/dbraw/zinc/87/62/15/564876215.db2.gz VSRZSSSHXKRCRQ-CYBMUJFWSA-N 0 0 378.719 3.278 20 30 GGEDRN C=CCN(CC1=Cc2cc(Cl)cc(Cl)c2OC1)[C@H]1CCS(=O)(=O)C1 ZINC000092361096 564876291 /nfs/dbraw/zinc/87/62/91/564876291.db2.gz VHWARCDFSSGKSI-HNNXBMFYSA-N 0 0 388.316 3.444 20 30 GGEDRN C=CCOc1c(Br)cc(CN2CCC(NC(C)=O)CC2)cc1OC ZINC000092669780 564879928 /nfs/dbraw/zinc/87/99/28/564879928.db2.gz QKHRKKODODQUNG-UHFFFAOYSA-N 0 0 397.313 3.123 20 30 GGEDRN N#CC1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000146941790 564881506 /nfs/dbraw/zinc/88/15/06/564881506.db2.gz PGTQKKRMQYDFBO-MRXNPFEDSA-N 0 0 380.275 3.360 20 30 GGEDRN N#CC1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000146942406 564881756 /nfs/dbraw/zinc/88/17/56/564881756.db2.gz KSFKTYZMIHVPCE-MRXNPFEDSA-N 0 0 380.275 3.360 20 30 GGEDRN N#CC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000146942574 564882092 /nfs/dbraw/zinc/88/20/92/564882092.db2.gz KSFKTYZMIHVPCE-INIZCTEOSA-N 0 0 380.275 3.360 20 30 GGEDRN COc1ccc2c(c1)OC[C@@H](C(=O)Nc1nc(C)c(SCC#N)s1)C2 ZINC000147003664 564883047 /nfs/dbraw/zinc/88/30/47/564883047.db2.gz XNMZOBBRRIZVGZ-LBPRGKRZSA-N 0 0 375.475 3.266 20 30 GGEDRN CN(Cc1ccc(C#N)cc1F)S(=O)(=O)c1ccc(Br)s1 ZINC000148993096 564884809 /nfs/dbraw/zinc/88/48/09/564884809.db2.gz CCNWQTZCJDZCLY-UHFFFAOYSA-N 0 0 389.271 3.342 20 30 GGEDRN CCO[C@@H](C)c1nc(CN2CCN(Cc3cc(C#N)cs3)CC2)cs1 ZINC000093737111 564888615 /nfs/dbraw/zinc/88/86/15/564888615.db2.gz SUQBYLYHKPQLRL-AWEZNQCLSA-N 0 0 376.551 3.492 20 30 GGEDRN COc1cc(C(=O)Nc2ccc(C#N)c(C#N)c2)cc(OC)c1Br ZINC000150776618 564889915 /nfs/dbraw/zinc/88/99/15/564889915.db2.gz FCVRFAFVDUIPPC-UHFFFAOYSA-N 0 0 386.205 3.462 20 30 GGEDRN N#Cc1ccc(NC(=O)c2ccc(F)cc2I)cc1C#N ZINC000150797244 564891219 /nfs/dbraw/zinc/89/12/19/564891219.db2.gz WQGPDCMEDIGKMX-UHFFFAOYSA-N 0 0 391.143 3.426 20 30 GGEDRN CCN(CCC#N)C(=O)CNc1ccc(Cl)cc1I ZINC000150820951 564892232 /nfs/dbraw/zinc/89/22/32/564892232.db2.gz LYDPKTQVBJSDHX-UHFFFAOYSA-N 0 0 391.640 3.119 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)cc1O ZINC000093931805 564894781 /nfs/dbraw/zinc/89/47/81/564894781.db2.gz WZPHFDFKJPSABB-UHFFFAOYSA-N 0 0 389.249 3.315 20 30 GGEDRN Cc1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1C(=O)N(C)C ZINC000150872541 564894864 /nfs/dbraw/zinc/89/48/64/564894864.db2.gz RJKRPWKDOTZLHH-UHFFFAOYSA-N 0 0 377.853 3.023 20 30 GGEDRN N#Cc1cc(F)c(NC[C@H](O)COc2ccccc2Br)c(F)c1 ZINC000150914446 564896565 /nfs/dbraw/zinc/89/65/65/564896565.db2.gz DWUIHVPERLIMTA-NSHDSACASA-N 0 0 383.192 3.451 20 30 GGEDRN CN(C)c1nc2ccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2o1 ZINC000150963282 564899325 /nfs/dbraw/zinc/89/93/25/564899325.db2.gz ZTROZQVROHOYSU-UHFFFAOYSA-N 0 0 376.825 3.220 20 30 GGEDRN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)S(=O)(=O)N(C)CCC#N ZINC000150974059 564899870 /nfs/dbraw/zinc/89/98/70/564899870.db2.gz KUMGHALEAQFYSR-AWEZNQCLSA-N 0 0 378.523 3.202 20 30 GGEDRN CC(C)[C@H](C#N)NS(=O)(=O)c1cc(Br)ccc1Br ZINC000096710834 564903196 /nfs/dbraw/zinc/90/31/96/564903196.db2.gz OUINFLOHPNEDKV-JTQLQIEISA-N 0 0 396.104 3.038 20 30 GGEDRN Cn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nc2sccc2c1=O ZINC000097601724 564909579 /nfs/dbraw/zinc/90/95/79/564909579.db2.gz PJGNSEUHEQZDPH-UHFFFAOYSA-N 0 0 390.877 3.251 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(F)c1 ZINC000151204811 564909818 /nfs/dbraw/zinc/90/98/18/564909818.db2.gz ROCXMQDRHZEKTE-UHFFFAOYSA-N 0 0 390.280 3.203 20 30 GGEDRN Cc1ccc([C@@H]2CSCCN2S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000151201175 564909923 /nfs/dbraw/zinc/90/99/23/564909923.db2.gz SNXBXYVCJHYTFV-KRWDZBQOSA-N 0 0 376.478 3.485 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1Cl ZINC000098038662 564912316 /nfs/dbraw/zinc/91/23/16/564912316.db2.gz KFQKFHWQUWCPRB-HNNXBMFYSA-N 0 0 380.853 3.175 20 30 GGEDRN N#Cc1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2Br)cc1 ZINC000151510219 564923376 /nfs/dbraw/zinc/92/33/76/564923376.db2.gz JJYRYCYURZDWSQ-UHFFFAOYSA-N 0 0 392.640 3.229 20 30 GGEDRN CN(CC(=O)N(CCC#N)c1ccccc1)Cc1cc(Br)cn1C ZINC000151567957 564927519 /nfs/dbraw/zinc/92/75/19/564927519.db2.gz JAOUUCQBCSIMCR-UHFFFAOYSA-N 0 0 389.297 3.166 20 30 GGEDRN CC(C)c1nc(CCNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)cs1 ZINC000102377266 564928335 /nfs/dbraw/zinc/92/83/35/564928335.db2.gz PNGNPLSHKGEBFP-UHFFFAOYSA-N 0 0 376.869 3.089 20 30 GGEDRN CC[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000102351781 564928530 /nfs/dbraw/zinc/92/85/30/564928530.db2.gz RSTCONINSDTUIQ-AWEZNQCLSA-N 0 0 377.853 3.173 20 30 GGEDRN Cc1nc(=O)[nH]c(C)c1CCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000151611422 564929363 /nfs/dbraw/zinc/92/93/63/564929363.db2.gz 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/nfs/dbraw/zinc/94/05/58/564940558.db2.gz DMFKXYKJOOAWAC-UHFFFAOYSA-N 0 0 377.828 3.198 20 30 GGEDRN CN(Cc1ccc(Br)cc1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000102963597 564940582 /nfs/dbraw/zinc/94/05/82/564940582.db2.gz BPFWSCNXTUOCIA-UHFFFAOYSA-N 0 0 390.212 3.057 20 30 GGEDRN CCCN(CC#N)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000151957209 564942571 /nfs/dbraw/zinc/94/25/71/564942571.db2.gz XDDVYMZXGCAQCG-UHFFFAOYSA-N 0 0 387.281 3.499 20 30 GGEDRN CCCSCC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000151964731 564942619 /nfs/dbraw/zinc/94/26/19/564942619.db2.gz NKFVSUJJIDQUDF-MRXNPFEDSA-N 0 0 396.354 3.301 20 30 GGEDRN C=CCCSCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000151986280 564943340 /nfs/dbraw/zinc/94/33/40/564943340.db2.gz XMTCQZBKCNJDGL-UHFFFAOYSA-N 0 0 382.551 3.417 20 30 GGEDRN CCCN(CCC)C(=O)Cn1cc(C#N)c(=O)c2cc(Br)ccc21 ZINC000103262485 564945556 /nfs/dbraw/zinc/94/55/56/564945556.db2.gz YYYZPWMLDPRFRI-UHFFFAOYSA-N 0 0 390.281 3.284 20 30 GGEDRN C=C(C)CN(CC)C(=O)Cn1cc(C#N)c(=O)c2cc(Br)ccc21 ZINC000103262563 564945670 /nfs/dbraw/zinc/94/56/70/564945670.db2.gz SGGVRPAMLXWLDH-UHFFFAOYSA-N 0 0 388.265 3.060 20 30 GGEDRN COC(=O)c1ccc(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)o1 ZINC000103262584 564945758 /nfs/dbraw/zinc/94/57/58/564945758.db2.gz CNSJXUCUCWUFJT-UHFFFAOYSA-N 0 0 387.189 3.064 20 30 GGEDRN N#Cc1cn(CC(=O)NC2CCCCC2)c2ccc(Br)cc2c1=O ZINC000103262520 564945868 /nfs/dbraw/zinc/94/58/68/564945868.db2.gz OOZHWIJRNNYOJQ-UHFFFAOYSA-N 0 0 388.265 3.085 20 30 GGEDRN C=CCCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000103356758 564946629 /nfs/dbraw/zinc/94/66/29/564946629.db2.gz SNBWZUAKJMZUAC-ZDUSSCGKSA-N 0 0 388.917 3.290 20 30 GGEDRN N#CCCN(CC1CC1)C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000103437506 564947904 /nfs/dbraw/zinc/94/79/04/564947904.db2.gz YNPXCXCGIYDQEM-AWEZNQCLSA-N 0 0 380.275 3.499 20 30 GGEDRN C=CCc1ccc(OC[C@H](O)Cn2nc(C)c(Br)c2C)c(OC)c1 ZINC000152168456 564949477 /nfs/dbraw/zinc/94/94/77/564949477.db2.gz 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Cn1nc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1OC(F)F ZINC000186111270 565241382 /nfs/dbraw/zinc/24/13/82/565241382.db2.gz PKZCFYWKMVFFHT-JTQLQIEISA-N 0 0 375.162 3.323 20 30 GGEDRN N#C[C@]1(C(=O)NC[C@H](CO)Cc2ccccc2Br)CC12CCCC2 ZINC000295072935 565243091 /nfs/dbraw/zinc/24/30/91/565243091.db2.gz ABOKTBLKTAOHJT-KUHUBIRLSA-N 0 0 391.309 3.190 20 30 GGEDRN COc1cc(OC)c(NC(=O)c2ccc(C#N)c(C)n2)cc1Br ZINC000186189648 565246295 /nfs/dbraw/zinc/24/62/95/565246295.db2.gz COCOOFMSEBLBQH-UHFFFAOYSA-N 0 0 376.210 3.294 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(OC)c(OC)cc1Br ZINC000295164914 565248904 /nfs/dbraw/zinc/24/89/04/565248904.db2.gz PFJVTWZBYRNNQS-BDJLRTHQSA-N 0 0 384.270 3.177 20 30 GGEDRN COc1ccccc1[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000160541531 565249322 /nfs/dbraw/zinc/24/93/22/565249322.db2.gz DGNIIHLGJHVJMN-ZDUSSCGKSA-N 0 0 376.865 3.398 20 30 GGEDRN CC(C)(CC#N)CS(=O)(=O)NCc1cccc(COCC(F)(F)F)c1 ZINC000295166267 565249337 /nfs/dbraw/zinc/24/93/37/565249337.db2.gz NVGFSNKWAIQQTE-UHFFFAOYSA-N 0 0 378.416 3.125 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000186252775 565249473 /nfs/dbraw/zinc/24/94/73/565249473.db2.gz CXMQLCALCFIUMH-UHFFFAOYSA-N 0 0 381.857 3.240 20 30 GGEDRN CC(=O)Nc1cccc([C@@H](C)NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000186245150 565249689 /nfs/dbraw/zinc/24/96/89/565249689.db2.gz NAFCXXCSFVZEEC-LLVKDONJSA-N 0 0 377.853 3.210 20 30 GGEDRN CC(=O)Nc1cccc([C@H](C)NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000186245127 565249806 /nfs/dbraw/zinc/24/98/06/565249806.db2.gz NAFCXXCSFVZEEC-NSHDSACASA-N 0 0 377.853 3.210 20 30 GGEDRN COc1cc(Br)c(C(=O)Nc2n[nH]c(C3CC3)c2C#N)cc1OC ZINC000295193489 565250458 /nfs/dbraw/zinc/25/04/58/565250458.db2.gz DMESTEJNFDGOHM-UHFFFAOYSA-N 0 0 391.225 3.191 20 30 GGEDRN C=CCN(C(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)C1CC1 ZINC000271369054 565250832 /nfs/dbraw/zinc/25/08/32/565250832.db2.gz HNIRDEAMIFGVLT-UHFFFAOYSA-N 0 0 376.503 3.017 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2CCSc3c(F)cccc32)c1 ZINC000160579500 565251394 /nfs/dbraw/zinc/25/13/94/565251394.db2.gz UVISNEMWGJYKHQ-MRXNPFEDSA-N 0 0 380.441 3.493 20 30 GGEDRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)CSCC#N ZINC000186298467 565253033 /nfs/dbraw/zinc/25/30/33/565253033.db2.gz SIMGZJDIJITGLF-OAHLLOKOSA-N 0 0 385.327 3.160 20 30 GGEDRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)CSCC#N ZINC000186298485 565253519 /nfs/dbraw/zinc/25/35/19/565253519.db2.gz SIMGZJDIJITGLF-HNNXBMFYSA-N 0 0 385.327 3.160 20 30 GGEDRN N#Cc1ccc(Br)c(CN2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000372807902 565255622 /nfs/dbraw/zinc/25/56/22/565255622.db2.gz RXQKRRQCLQJIGL-OAHLLOKOSA-N 0 0 379.298 3.338 20 30 GGEDRN N#CC1(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000160756827 565257731 /nfs/dbraw/zinc/25/77/31/565257731.db2.gz FNJQOLZIGNDNNH-UHFFFAOYSA-N 0 0 398.260 3.416 20 30 GGEDRN C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@@H](O)c1ccccc1Br ZINC000295314328 565258859 /nfs/dbraw/zinc/25/88/59/565258859.db2.gz LLNIGOYYKXRSID-ZWKOTPCHSA-N 0 0 375.266 3.020 20 30 GGEDRN CC[C@H](CC#N)NS(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000186432506 565261171 /nfs/dbraw/zinc/26/11/71/565261171.db2.gz DCIKTSHMRREUBP-MRVPVSSYSA-N 0 0 381.679 3.082 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(Cl)ccc1Cl ZINC000160839328 565262361 /nfs/dbraw/zinc/26/23/61/565262361.db2.gz AASXXAYPAZAVJB-LLVKDONJSA-N 0 0 376.247 3.006 20 30 GGEDRN CC(C)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000271643972 565262667 /nfs/dbraw/zinc/26/26/67/565262667.db2.gz GZDUZJFEPQXBBG-GXTWGEPZSA-N 0 0 376.400 3.059 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1nocc1C ZINC000160921448 565264348 /nfs/dbraw/zinc/26/43/48/565264348.db2.gz RESYZBCWIRJLAZ-UHFFFAOYSA-N 0 0 396.216 3.038 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)OCC(F)(F)C(F)F)cc1Br ZINC000295412229 565264687 /nfs/dbraw/zinc/26/46/87/565264687.db2.gz XKRHHKGLGYECTF-UHFFFAOYSA-N 0 0 394.115 3.066 20 30 GGEDRN N#C[C@H]1CSCCN1C(=O)c1ccc(Cl)c(I)c1 ZINC000271686043 565264990 /nfs/dbraw/zinc/26/49/90/565264990.db2.gz CYXCCDSZPRGGPK-VIFPVBQESA-N 0 0 392.649 3.026 20 30 GGEDRN N#CCCn1ccc(NC(=O)Nc2cccc(I)c2)n1 ZINC000186521939 565264973 /nfs/dbraw/zinc/26/49/73/565264973.db2.gz JWTGLSULUDGSFU-UHFFFAOYSA-N 0 0 381.177 3.045 20 30 GGEDRN N#CCCn1ccc(NC(=O)Nc2ccc(I)cc2)n1 ZINC000186516728 565265076 /nfs/dbraw/zinc/26/50/76/565265076.db2.gz NRPMDWJOUGHBDR-UHFFFAOYSA-N 0 0 381.177 3.045 20 30 GGEDRN N#CCCN(Cc1cccnc1)C(=O)Cc1ccc(F)cc1Br ZINC000186521632 565265364 /nfs/dbraw/zinc/26/53/64/565265364.db2.gz IRFSGLCGEPRXCJ-UHFFFAOYSA-N 0 0 376.229 3.468 20 30 GGEDRN C[C@H](Cc1ccccc1Br)NC(=O)Nc1ccn(CCC#N)n1 ZINC000160948663 565265462 /nfs/dbraw/zinc/26/54/62/565265462.db2.gz OTELQESQLLFXBG-GFCCVEGCSA-N 0 0 376.258 3.312 20 30 GGEDRN N#C[C@H]1CSCCN1C(=O)c1cc(Br)cc(Br)c1 ZINC000271716897 565265633 /nfs/dbraw/zinc/26/56/33/565265633.db2.gz KPLVBVPRPCAFMG-NSHDSACASA-N 0 0 390.100 3.293 20 30 GGEDRN Cc1c(C(=O)N2CCSC[C@@H]2C#N)cnn1-c1cccc(Br)c1 ZINC000271736418 565265653 /nfs/dbraw/zinc/26/56/53/565265653.db2.gz OKUMJFPDCUSAIF-AWEZNQCLSA-N 0 0 391.294 3.024 20 30 GGEDRN N#C[C@@H]1CSCCN1C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000271772137 565267171 /nfs/dbraw/zinc/26/71/71/565267171.db2.gz XPJLOSFBLGOUDG-OAHLLOKOSA-N 0 0 377.922 3.397 20 30 GGEDRN N#C[C@H]1CSCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000271766850 565267261 /nfs/dbraw/zinc/26/72/61/565267261.db2.gz PWMUXWJGHKYCPC-QMMMGPOBSA-N 0 0 390.646 3.092 20 30 GGEDRN C#CCN(C(=O)CSCC(C)=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000373054891 565267844 /nfs/dbraw/zinc/26/78/44/565267844.db2.gz XEGCXARQUNSAPD-OAHLLOKOSA-N 0 0 396.306 3.057 20 30 GGEDRN COC(=O)[C@](C)(NC(=O)c1ccc(C#N)cn1)c1ccc(Cl)c(Cl)c1 ZINC000186576285 565270007 /nfs/dbraw/zinc/27/00/07/565270007.db2.gz GCBHMKBSJLOSSL-QGZVFWFLSA-N 0 0 378.215 3.078 20 30 GGEDRN N#Cc1cc(Br)cnc1N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000295503211 565270307 /nfs/dbraw/zinc/27/03/07/565270307.db2.gz KVYSWIINEDXYKV-AWEZNQCLSA-N 0 0 387.285 3.375 20 30 GGEDRN N#Cc1cc(Br)cnc1N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000295503215 565270378 /nfs/dbraw/zinc/27/03/78/565270378.db2.gz KVYSWIINEDXYKV-CQSZACIVSA-N 0 0 387.285 3.375 20 30 GGEDRN CC(C)(C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1)C(N)=O ZINC000295546091 565272219 /nfs/dbraw/zinc/27/22/19/565272219.db2.gz JZHUMEFFEVASDU-AWEZNQCLSA-N 0 0 378.314 3.434 20 30 GGEDRN N#Cc1cc(Br)ccc1C(=O)N1CC[C@H](OCc2ccccn2)C1 ZINC000295546326 565272521 /nfs/dbraw/zinc/27/25/21/565272521.db2.gz UKQVQVCWZQBFSC-INIZCTEOSA-N 0 0 386.249 3.147 20 30 GGEDRN C#CCN(C(=O)Nc1ccncn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000373190494 565273768 /nfs/dbraw/zinc/27/37/68/565273768.db2.gz AURANIWPNFJDFZ-CQSZACIVSA-N 0 0 387.237 3.230 20 30 GGEDRN C=CCN(C(=O)Nc1cc(C(F)F)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000272028365 565274348 /nfs/dbraw/zinc/27/43/48/565274348.db2.gz MOYZRPKBPDZFOA-LLVKDONJSA-N 0 0 378.828 3.485 20 30 GGEDRN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C#N)C2CCCCC2)cc1Cl ZINC000161160317 565275486 /nfs/dbraw/zinc/27/54/86/565275486.db2.gz YYDLMCBRINNCTJ-OAHLLOKOSA-N 0 0 387.864 3.188 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)c2ccc(I)c(F)c2)n1 ZINC000161151458 565275496 /nfs/dbraw/zinc/27/54/96/565275496.db2.gz TWOSKSQZQSJIGN-UHFFFAOYSA-N 0 0 398.179 3.332 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2CCOc3c(Cl)cccc32)c1 ZINC000161145803 565275504 /nfs/dbraw/zinc/27/55/04/565275504.db2.gz LCKSAZQWSACYOG-MRXNPFEDSA-N 0 0 380.828 3.294 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)c2csc(I)c2)n1 ZINC000161162549 565275529 /nfs/dbraw/zinc/27/55/29/565275529.db2.gz KGVDHBVYAULHRJ-UHFFFAOYSA-N 0 0 386.218 3.254 20 30 GGEDRN C=C(C)[C@H](CC(=O)Nc1cc2c(cc1Br)NC(=O)CO2)OCC ZINC000272134633 565278327 /nfs/dbraw/zinc/27/83/27/565278327.db2.gz LXXFLRJEKBDEGC-ZDUSSCGKSA-N 0 0 383.242 3.090 20 30 GGEDRN Cc1cc(NC(=O)NCc2cc(F)ccc2Br)nn1CCC#N ZINC000272117704 565278747 /nfs/dbraw/zinc/27/87/47/565278747.db2.gz ROYFDENYHMALLW-UHFFFAOYSA-N 0 0 380.221 3.329 20 30 GGEDRN C=C(C)CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000161277849 565278884 /nfs/dbraw/zinc/27/88/84/565278884.db2.gz KLBSUIYKKPKARI-ZDUSSCGKSA-N 0 0 383.261 3.133 20 30 GGEDRN CCOC(=O)c1sc(SCC(=O)N(CC#N)c2ccccc2)nc1C ZINC000295659402 565279220 /nfs/dbraw/zinc/27/92/20/565279220.db2.gz AGLMCZZWJOOFHW-UHFFFAOYSA-N 0 0 375.475 3.277 20 30 GGEDRN COc1ccc(CNC(=O)Nc2cc(C)n(CCC#N)n2)cc1Br ZINC000272151304 565279317 /nfs/dbraw/zinc/27/93/17/565279317.db2.gz XQZYMDJEFJCPJY-UHFFFAOYSA-N 0 0 392.257 3.198 20 30 GGEDRN N#CCOc1ccccc1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000373374059 565281029 /nfs/dbraw/zinc/28/10/29/565281029.db2.gz AGJFZXMQEKMNFO-UHFFFAOYSA-N 0 0 398.220 3.184 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCC(C)(F)F ZINC000295688095 565281808 /nfs/dbraw/zinc/28/18/08/565281808.db2.gz ZDJVKQVMUWSDHI-UHFFFAOYSA-N 0 0 391.212 3.260 20 30 GGEDRN CN(C)c1ncc(Br)cc1C(=O)N[C@H](C#N)c1ccccc1F ZINC000161390921 565282684 /nfs/dbraw/zinc/28/26/84/565282684.db2.gz IEGFXZBKYKJDKV-CQSZACIVSA-N 0 0 377.217 3.044 20 30 GGEDRN Cc1cnc([C@H](C)CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)s1 ZINC000186737715 565282696 /nfs/dbraw/zinc/28/26/96/565282696.db2.gz BWRWFZOMLBEWLB-SECBINFHSA-N 0 0 389.424 3.424 20 30 GGEDRN C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1cc(Cl)ccc1Cl ZINC000186762156 565283702 /nfs/dbraw/zinc/28/37/02/565283702.db2.gz YRNNWYJYIYRCRK-NSHDSACASA-N 0 0 376.243 3.472 20 30 GGEDRN CC(C)(CC#N)CS(=O)(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000295724483 565283893 /nfs/dbraw/zinc/28/38/93/565283893.db2.gz HGFGODZEMNFSPJ-UHFFFAOYSA-N 0 0 383.945 3.164 20 30 GGEDRN CC[C@](C)(C#N)C(=O)NCc1c(Br)cncc1Br ZINC000295756709 565284605 /nfs/dbraw/zinc/28/46/05/565284605.db2.gz ONROUCPMZKTWIH-GFCCVEGCSA-N 0 0 375.064 3.163 20 30 GGEDRN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@](C)(C#N)C(C)(C)C)cc1Cl ZINC000272364892 565284896 /nfs/dbraw/zinc/28/48/96/565284896.db2.gz FVCZZTWFAAIVCX-HNNXBMFYSA-N 0 0 375.853 3.044 20 30 GGEDRN N#CCN1CCC[C@@H](CNC(=O)CSCc2ccc(Br)cc2)C1 ZINC000295756078 565285254 /nfs/dbraw/zinc/28/52/54/565285254.db2.gz HJXZUJHVWFMKHO-HNNXBMFYSA-N 0 0 396.354 3.034 20 30 GGEDRN CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000373439777 565285556 /nfs/dbraw/zinc/28/55/56/565285556.db2.gz LXGCTCRADWZSFD-QAPCUYQASA-N 0 0 392.297 3.013 20 30 GGEDRN CCN(CC#N)C(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000161555855 565287245 /nfs/dbraw/zinc/28/72/45/565287245.db2.gz FRGSTTNOPMQXOX-CQSZACIVSA-N 0 0 388.320 3.217 20 30 GGEDRN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCSC2(CCOCC2)C1 ZINC000186847983 565289874 /nfs/dbraw/zinc/28/98/74/565289874.db2.gz LKTBOAOCPRLHHH-CYBMUJFWSA-N 0 0 379.913 3.137 20 30 GGEDRN C=CCSCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N\[C@@H](C)c1cccs1 ZINC000272578726 565290687 /nfs/dbraw/zinc/29/06/87/565290687.db2.gz AMYIWMFTIVEEEJ-VJCCAIGVSA-N 0 0 397.591 3.164 20 30 GGEDRN C=CCOCCCC(=O)NCc1c(Br)cncc1Br ZINC000295877669 565291476 /nfs/dbraw/zinc/29/14/76/565291476.db2.gz XXOWAZWQWGGXRE-UHFFFAOYSA-N 0 0 392.091 3.206 20 30 GGEDRN C[C@@H](CC#N)N(C)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000186900213 565294463 /nfs/dbraw/zinc/29/44/63/565294463.db2.gz QBRGKWSVHTYHEU-ZFWWWQNUSA-N 0 0 386.901 3.211 20 30 GGEDRN COC(=O)c1cc(Br)ccc1NC(=O)N1CCC(C)(C#N)CC1 ZINC000272716666 565295563 /nfs/dbraw/zinc/29/55/63/565295563.db2.gz YWVGXRGJMOLBSI-UHFFFAOYSA-N 0 0 380.242 3.393 20 30 GGEDRN Cc1cc(Br)cc(S(=O)(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC000186933049 565296205 /nfs/dbraw/zinc/29/62/05/565296205.db2.gz JXFMTJNWMBNODS-UHFFFAOYSA-N 0 0 379.279 3.450 20 30 GGEDRN N#C[C@H](NC(=O)c1cccn1-c1ccc(I)cc1)C1CC1 ZINC000161878827 565296436 /nfs/dbraw/zinc/29/64/36/565296436.db2.gz DYHFFKRWBDBVHR-AWEZNQCLSA-N 0 0 391.212 3.114 20 30 GGEDRN C[C@@H](c1cccnc1)N1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000295987114 565297643 /nfs/dbraw/zinc/29/76/43/565297643.db2.gz WTKBSZRANLFDGI-AWEZNQCLSA-N 0 0 399.292 3.235 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1[C@H](C)CC[C@H]1C ZINC000161906658 565297704 /nfs/dbraw/zinc/29/77/04/565297704.db2.gz QFRCGSJQTKEHLA-VXGBXAGGSA-N 0 0 381.270 3.498 20 30 GGEDRN Cn1ccnc1[C@H](NS(=O)(=O)CC(C)(C)CC#N)c1ccc(Cl)cc1 ZINC000296021542 565298442 /nfs/dbraw/zinc/29/84/42/565298442.db2.gz RERSBQRNYCICLX-OAHLLOKOSA-N 0 0 380.901 3.022 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)c1cc(-c2ccc(OC)cc2)c(C)s1 ZINC000272845325 565299457 /nfs/dbraw/zinc/29/94/57/565299457.db2.gz KHJQZXNWCGWQGE-UHFFFAOYSA-N 0 0 379.503 3.063 20 30 GGEDRN Cn1ccnc1[C@@H](O)[C@H]1CCCN(c2ccc(Br)cc2C#N)C1 ZINC000272835121 565299705 /nfs/dbraw/zinc/29/97/05/565299705.db2.gz LSWYFXZUEVTCMQ-LRDDRELGSA-N 0 0 375.270 3.004 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)s1 ZINC000373767891 565302078 /nfs/dbraw/zinc/30/20/78/565302078.db2.gz CMYVKXZAOIHKMO-KRWDZBQOSA-N 0 0 396.921 3.407 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)Nc1ccc(Sc2nc(C)cs2)cc1 ZINC000272940223 565302232 /nfs/dbraw/zinc/30/22/32/565302232.db2.gz IJUGTQHEEYKQEJ-UHFFFAOYSA-N 0 0 397.547 3.325 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000272913561 565302371 /nfs/dbraw/zinc/30/23/71/565302371.db2.gz DVNJNRGFPVXFCY-LBPRGKRZSA-N 0 0 378.416 3.009 20 30 GGEDRN Cc1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])nn1CCC#N 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20 30 GGEDRN N#Cc1ccc(Cl)cc1NC(=O)CN1CCSC[C@@H]1c1nccs1 ZINC000187059331 565306278 /nfs/dbraw/zinc/30/62/78/565306278.db2.gz JEXLLWPWMYZLJH-CQSZACIVSA-N 0 0 378.910 3.397 20 30 GGEDRN N#CCCCNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000273094557 565306477 /nfs/dbraw/zinc/30/64/77/565306477.db2.gz DBFMZLWERDEMPR-UHFFFAOYSA-N 0 0 380.286 3.100 20 30 GGEDRN CCCc1c(C(=O)NCCCC#N)nnn1Cc1cccc(Br)c1 ZINC000273072929 565307046 /nfs/dbraw/zinc/30/70/46/565307046.db2.gz VXXPXIDMASPCFH-UHFFFAOYSA-N 0 0 390.285 3.075 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3sccc32)cc1 ZINC000162203198 565308304 /nfs/dbraw/zinc/30/83/04/565308304.db2.gz JMXIZXIGJVMNNY-MRXNPFEDSA-N 0 0 376.503 3.020 20 30 GGEDRN Cc1c(C(=O)N[C@H](C#N)c2cccc(Br)c2)cnn1-c1ccccn1 ZINC000162192193 565308937 /nfs/dbraw/zinc/30/89/37/565308937.db2.gz NVYKTXOZKCXYRZ-MRXNPFEDSA-N 0 0 396.248 3.333 20 30 GGEDRN N#CCCCNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000273127143 565309285 /nfs/dbraw/zinc/30/92/85/565309285.db2.gz SNZHVLPZJQPBCB-HNNXBMFYSA-N 0 0 396.260 3.003 20 30 GGEDRN COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1C ZINC000162214253 565309610 /nfs/dbraw/zinc/30/96/10/565309610.db2.gz XTWLCDWQBJBJKX-ZDUSSCGKSA-N 0 0 390.237 3.175 20 30 GGEDRN C=CC[C@@H](C)NC(=O)NCc1c(Br)cncc1Br ZINC000296273934 565309677 /nfs/dbraw/zinc/30/96/77/565309677.db2.gz DHOFCFXMCOOLAY-MRVPVSSYSA-N 0 0 377.080 3.370 20 30 GGEDRN COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C#N)c2cccc(Br)c2)c1C ZINC000162214396 565309852 /nfs/dbraw/zinc/30/98/52/565309852.db2.gz XTWLCDWQBJBJKX-CYBMUJFWSA-N 0 0 390.237 3.175 20 30 GGEDRN N#C[C@@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)C1CCCCC1 ZINC000162282873 565311319 /nfs/dbraw/zinc/31/13/19/565311319.db2.gz FQVVBNCNZSLXOJ-OAHLLOKOSA-N 0 0 393.281 3.351 20 30 GGEDRN Cc1cc(=NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)[nH]n1CCC#N ZINC000373930911 565311476 /nfs/dbraw/zinc/31/14/76/565311476.db2.gz BQNQXKHROAETIJ-GHMZBOCLSA-N 0 0 394.298 3.029 20 30 GGEDRN N#CCCCNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000273220352 565313151 /nfs/dbraw/zinc/31/31/51/565313151.db2.gz NMNMSQOINIDYIJ-UHFFFAOYSA-N 0 0 376.258 3.314 20 30 GGEDRN C=CCn1c(S[C@@H](C(N)=O)c2cccc(Br)c2)nnc1C1CC1 ZINC000162330570 565313473 /nfs/dbraw/zinc/31/34/73/565313473.db2.gz NMGYHUFMSSQQQP-CYBMUJFWSA-N 0 0 393.310 3.423 20 30 GGEDRN C=CCn1c(S[C@H](C(N)=O)c2cccc(Br)c2)nnc1C1CC1 ZINC000162330444 565314017 /nfs/dbraw/zinc/31/40/17/565314017.db2.gz NMGYHUFMSSQQQP-ZDUSSCGKSA-N 0 0 393.310 3.423 20 30 GGEDRN CN(CCC#N)C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000162343871 565314147 /nfs/dbraw/zinc/31/41/47/565314147.db2.gz DYWPFKDPBIMHLC-UHFFFAOYSA-N 0 0 376.214 3.409 20 30 GGEDRN N#CC1CCN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)CC1 ZINC000162360094 565314755 /nfs/dbraw/zinc/31/47/55/565314755.db2.gz JKMXAUIVFNMBBY-UHFFFAOYSA-N 0 0 399.292 3.499 20 30 GGEDRN CCc1nn(C)c(Cl)c1C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000162371797 565315411 /nfs/dbraw/zinc/31/54/11/565315411.db2.gz RCULZMZLTVHCKB-GFCCVEGCSA-N 0 0 381.661 3.393 20 30 GGEDRN N#C[C@H](NC(=O)c1ncccc1OCC(F)F)c1cccc(Br)c1 ZINC000162427052 565316467 /nfs/dbraw/zinc/31/64/67/565316467.db2.gz BRPLBQZYMADSNV-LBPRGKRZSA-N 0 0 396.191 3.483 20 30 GGEDRN N#CC1(NC(=O)Cc2c[nH]c3cc(Br)ccc23)CCSCC1 ZINC000162389792 565316575 /nfs/dbraw/zinc/31/65/75/565316575.db2.gz VRSKSVJELHOMPP-UHFFFAOYSA-N 0 0 378.295 3.378 20 30 GGEDRN O=C1[C@@H](/N=C/c2cc(Br)ccc2O)CCCN1Cc1ccccn1 ZINC000273322165 565316681 /nfs/dbraw/zinc/31/66/81/565316681.db2.gz GJEVHXMBLGZSKD-XYHOIZSOSA-N 0 0 388.265 3.160 20 30 GGEDRN N#CC1(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CCSCC1 ZINC000162422640 565316663 /nfs/dbraw/zinc/31/66/63/565316663.db2.gz ZXQRVOCCWIRCRH-NSHDSACASA-N 0 0 398.315 3.252 20 30 GGEDRN N#Cc1ccc(F)c(CN2CCC(O)(c3scnc3Br)CC2)c1 ZINC000374042380 565317872 /nfs/dbraw/zinc/31/78/72/565317872.db2.gz VVGTWTOHIVHNGJ-UHFFFAOYSA-N 0 0 396.285 3.400 20 30 GGEDRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC1(C#N)CCSCC1 ZINC000162438860 565317891 /nfs/dbraw/zinc/31/78/91/565317891.db2.gz UUXPYYICPDSBTB-UHFFFAOYSA-N 0 0 375.475 3.421 20 30 GGEDRN Cc1ccc(OCCC(=O)NC2(C#N)CCSCC2)c(Br)c1 ZINC000162488388 565318894 /nfs/dbraw/zinc/31/88/94/565318894.db2.gz SOAFZRGDLPPMLJ-UHFFFAOYSA-N 0 0 383.311 3.432 20 30 GGEDRN COCc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)o1 ZINC000162561187 565321203 /nfs/dbraw/zinc/32/12/03/565321203.db2.gz CUKGFDMBOBLBIB-OAHLLOKOSA-N 0 0 380.853 3.477 20 30 GGEDRN N#Cc1cc(Br)cnc1N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000296530438 565321383 /nfs/dbraw/zinc/32/13/83/565321383.db2.gz NGGCCLMWEQTWOL-LBPRGKRZSA-N 0 0 383.253 3.142 20 30 GGEDRN N#CCN(C1CCCC1)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000162620207 565322510 /nfs/dbraw/zinc/32/25/10/565322510.db2.gz HFCQQYVOJLDJHT-UHFFFAOYSA-N 0 0 379.226 3.184 20 30 GGEDRN N#CC1(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CCSCC1 ZINC000162646699 565323682 /nfs/dbraw/zinc/32/36/82/565323682.db2.gz SINKGOOJOTUFGI-UHFFFAOYSA-N 0 0 376.869 3.228 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1c(C)csc1C(=O)OC ZINC000187332059 565323870 /nfs/dbraw/zinc/32/38/70/565323870.db2.gz UELWEMHIGOSOLT-UHFFFAOYSA-N 0 0 378.475 3.058 20 30 GGEDRN Cc1ccc(Br)cc1NC(=O)CNC(=O)c1cccc(F)c1C#N ZINC000187334314 565324381 /nfs/dbraw/zinc/32/43/81/565324381.db2.gz FHPVWUKGLCVOLE-UHFFFAOYSA-N 0 0 390.212 3.137 20 30 GGEDRN N#CCN(CC#N)C(=O)c1cccc(Sc2cccc(Br)c2)n1 ZINC000162673878 565324792 /nfs/dbraw/zinc/32/47/92/565324792.db2.gz UPQCIJDOTLBGRW-UHFFFAOYSA-N 0 0 387.262 3.485 20 30 GGEDRN Cc1cnc([C@@H](C)CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1 ZINC000273542639 565325075 /nfs/dbraw/zinc/32/50/75/565325075.db2.gz UGIZYWXBTLONRJ-VIFPVBQESA-N 0 0 389.424 3.424 20 30 GGEDRN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC1(C#N)CCSCC1 ZINC000162715278 565325406 /nfs/dbraw/zinc/32/54/06/565325406.db2.gz APGXSQROPSVDGF-SNVBAGLBSA-N 0 0 386.304 3.017 20 30 GGEDRN CN(C)c1ccc(-c2noc(C3(C#N)CCOCC3)n2)cc1Br ZINC000296621325 565326432 /nfs/dbraw/zinc/32/64/32/565326432.db2.gz ZEKSQPPESPUNLC-UHFFFAOYSA-N 0 0 377.242 3.137 20 30 GGEDRN CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NCc2ccc(Cl)nc2)s1 ZINC000296617746 565327067 /nfs/dbraw/zinc/32/70/67/565327067.db2.gz SRAFOLJWSIIIAO-UHFFFAOYSA-N 0 0 376.869 3.221 20 30 GGEDRN N#Cc1cc(Br)ccc1C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000296667935 565329040 /nfs/dbraw/zinc/32/90/40/565329040.db2.gz ZADOKVCCQPOIMR-XJKSGUPXSA-N 0 0 381.295 3.105 20 30 GGEDRN COc1ccc(CN(CCC#N)Cc2ccccn2)c(Br)c1O ZINC000273697771 565331170 /nfs/dbraw/zinc/33/11/70/565331170.db2.gz CMXFZVOFINMGSK-UHFFFAOYSA-N 0 0 376.254 3.474 20 30 GGEDRN COc1cc(Br)c(CNC(=O)c2cccc(F)c2C#N)cc1OC ZINC000187455663 565333684 /nfs/dbraw/zinc/33/36/84/565333684.db2.gz MTKAGZNLYIISRQ-UHFFFAOYSA-N 0 0 393.212 3.407 20 30 GGEDRN Cc1nsc(N2CCN(C(=O)Nc3cncc(Cl)c3C)CC2)c1C#N ZINC000296760031 565334533 /nfs/dbraw/zinc/33/45/33/565334533.db2.gz BDFXPAHDIOKFRI-UHFFFAOYSA-N 0 0 376.873 3.034 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000163033520 565334686 /nfs/dbraw/zinc/33/46/86/565334686.db2.gz YEXUZCOMACYYJD-UHFFFAOYSA-N 0 0 385.272 3.048 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000163032192 565334955 /nfs/dbraw/zinc/33/49/55/565334955.db2.gz QUIVMBYBURFYKV-UHFFFAOYSA-N 0 0 399.299 3.357 20 30 GGEDRN COc1ccc(Br)c(CC(=O)Nc2nn(C(C)(C)C)cc2C#N)c1 ZINC000163064968 565335058 /nfs/dbraw/zinc/33/50/58/565335058.db2.gz WDLZEUZPGYZVOJ-UHFFFAOYSA-N 0 0 391.269 3.462 20 30 GGEDRN N#C[C@@]1(C(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CC12CCCC2 ZINC000296797739 565337866 /nfs/dbraw/zinc/33/78/66/565337866.db2.gz QWYGHCRZYMWEIW-HNAYVOBHSA-N 0 0 391.309 3.190 20 30 GGEDRN N#CC1CCN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000163164822 565338110 /nfs/dbraw/zinc/33/81/10/565338110.db2.gz DMRNRPGPBQZQOL-UHFFFAOYSA-N 0 0 397.216 3.392 20 30 GGEDRN C=CCNc1nnc(SCC(=O)c2cc3c(s2)CCN(C(C)=O)C3)s1 ZINC000163223947 565339719 /nfs/dbraw/zinc/33/97/19/565339719.db2.gz TWKRMCGAVANECA-UHFFFAOYSA-N 0 0 394.547 3.077 20 30 GGEDRN N#CC1(c2ccccn2)CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000374464502 565341368 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N#CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000171980010 565460262 /nfs/dbraw/zinc/46/02/62/565460262.db2.gz UTZGVBXKQUVQSX-AWEZNQCLSA-N 0 0 390.292 3.030 20 30 GGEDRN N#CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000171980012 565460392 /nfs/dbraw/zinc/46/03/92/565460392.db2.gz UTZGVBXKQUVQSX-CQSZACIVSA-N 0 0 390.292 3.030 20 30 GGEDRN Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000189370089 565461006 /nfs/dbraw/zinc/46/10/06/565461006.db2.gz SOPFTLSEGLBNDT-UHFFFAOYSA-N 0 0 398.260 3.153 20 30 GGEDRN N#Cc1cc(N2CCC(n3cc(Br)cn3)CC2)ccc1[N+](=O)[O-] ZINC000376947446 565461008 /nfs/dbraw/zinc/46/10/08/565461008.db2.gz HRCHQTAURIMBBP-UHFFFAOYSA-N 0 0 376.214 3.267 20 30 GGEDRN N#C[C@H](NC(=O)c1cc(N2CCCC2)ccn1)c1cccc(Br)c1 ZINC000189365610 565461645 /nfs/dbraw/zinc/46/16/45/565461645.db2.gz GMCLFGNYLJFSMB-KRWDZBQOSA-N 0 0 385.265 3.439 20 30 GGEDRN CC(C)C(=O)Nc1nc(CC(=O)N[C@H](C#N)c2ccccc2Cl)cs1 ZINC000172035091 565463514 /nfs/dbraw/zinc/46/35/14/565463514.db2.gz 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20 30 GGEDRN CN(CCC#N)C(=O)Nc1nc2ccc(I)cc2s1 ZINC000189625149 565478559 /nfs/dbraw/zinc/47/85/59/565478559.db2.gz CJVFQABCRNDDMW-UHFFFAOYSA-N 0 0 386.218 3.278 20 30 GGEDRN C=CCSCCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000172335695 565479072 /nfs/dbraw/zinc/47/90/72/565479072.db2.gz MVWVXZXWMSNVIG-UHFFFAOYSA-N 0 0 377.691 3.076 20 30 GGEDRN C=CC[C@H]([NH2+]Cc1cc(Br)cc(Br)c1OC)C(=O)[O-] ZINC000277157004 565479247 /nfs/dbraw/zinc/47/92/47/565479247.db2.gz CYBZZXSSYHAORT-NSHDSACASA-N 0 0 393.075 3.339 20 30 GGEDRN N#Cc1cccc(Cl)c1N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000301342302 565480454 /nfs/dbraw/zinc/48/04/54/565480454.db2.gz FYROXFZIULMJIE-UHFFFAOYSA-N 0 0 376.825 3.144 20 30 GGEDRN C=CCN(Cc1ccc(Br)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000189663776 565481142 /nfs/dbraw/zinc/48/11/42/565481142.db2.gz BHYWKTCLBPRMFA-LBPRGKRZSA-N 0 0 378.719 3.278 20 30 GGEDRN N#Cc1ccc(-c2cccc(CNc3ncc(S(N)(=O)=O)s3)c2)s1 ZINC000301362419 565481871 /nfs/dbraw/zinc/48/18/71/565481871.db2.gz 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CN(CCCc1[nH]nc(N)c1C#N)c1ccnc2cc(Br)ccc21 ZINC000301500837 565491516 /nfs/dbraw/zinc/49/15/16/565491516.db2.gz DRMHKCCQPLQWGQ-UHFFFAOYSA-N 0 0 385.269 3.243 20 30 GGEDRN COc1cc(CN2CC[C@H](Nc3snc(Cl)c3C#N)C2)cc(OC)c1 ZINC000301541311 565493634 /nfs/dbraw/zinc/49/36/34/565493634.db2.gz BXKARJIKZYJXAU-LBPRGKRZSA-N 0 0 378.885 3.372 20 30 GGEDRN N#CCc1ccc(C(=O)NC[C@@H](CO)Cc2cccc(Br)c2)cc1 ZINC000277432562 565496763 /nfs/dbraw/zinc/49/67/63/565496763.db2.gz WBMGUPHAHWDOCN-INIZCTEOSA-N 0 0 387.277 3.096 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000172671722 565497854 /nfs/dbraw/zinc/49/78/54/565497854.db2.gz USSGEKXMFZEXQU-INIZCTEOSA-N 0 0 376.503 3.298 20 30 GGEDRN N#Cc1c(N)n[nH]c1CCCNc1ccc2cc(Br)c(F)cc2n1 ZINC000301600316 565498745 /nfs/dbraw/zinc/49/87/45/565498745.db2.gz UXUPHYOSCVFTIF-UHFFFAOYSA-N 0 0 389.232 3.358 20 30 GGEDRN COc1cc(Br)c(CNc2nccc(C#N)c2[N+](=O)[O-])cc1OC ZINC000301644268 565502138 /nfs/dbraw/zinc/50/21/38/565502138.db2.gz NGEUORUYXUMYGW-UHFFFAOYSA-N 0 0 393.197 3.253 20 30 GGEDRN C=CCn1c(-c2sc(NC(=O)c3oc(C)nc3C)nc2C)n[nH]c1=S ZINC000172797119 565503594 /nfs/dbraw/zinc/50/35/94/565503594.db2.gz SQIPUJVIEOJTDO-UHFFFAOYSA-N 0 0 376.467 3.416 20 30 GGEDRN Cc1csc([C@](O)(CC(=O)N2CCCC(C)(C)[C@@H]2C#N)C(F)(F)F)n1 ZINC000277552002 565505602 /nfs/dbraw/zinc/50/56/02/565505602.db2.gz OIEVMANDVWVPGB-XHDPSFHLSA-N 0 0 375.416 3.132 20 30 GGEDRN CN(CCNc1ccc(C#N)c(C(F)(F)F)c1)S(=O)(=O)c1cccs1 ZINC000301750802 565508006 /nfs/dbraw/zinc/50/80/06/565508006.db2.gz UOCKLSLXMWSKHI-UHFFFAOYSA-N 0 0 389.424 3.371 20 30 GGEDRN N#Cc1ccc(NCCNS(=O)(=O)c2ccc(Cl)s2)cc1Cl ZINC000301785497 565509811 /nfs/dbraw/zinc/50/98/11/565509811.db2.gz LCHRCFCNOICPGM-UHFFFAOYSA-N 0 0 376.290 3.317 20 30 GGEDRN O=C(NCCOCC(F)(F)C(F)F)c1cccnc1SC(F)(F)F ZINC000277618028 565510207 /nfs/dbraw/zinc/51/02/07/565510207.db2.gz VZCBHHINMUMGDH-UHFFFAOYSA-N 0 0 380.285 3.340 20 30 GGEDRN Cc1cc(N2CCN(c3cccc(F)c3C#N)CC2)ncc1Br ZINC000301811500 565510732 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N#Cc1cccc(CS(=O)(=O)N2CCc3cc(Br)ccc3C2)c1 ZINC000190212586 565516403 /nfs/dbraw/zinc/51/64/03/565516403.db2.gz NIIPZZSEFHZOMT-UHFFFAOYSA-N 0 0 391.290 3.209 20 30 GGEDRN N#Cc1ccc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c(Br)c1 ZINC000301884199 565516654 /nfs/dbraw/zinc/51/66/54/565516654.db2.gz YSBBJRKFTQNZPQ-DLBZAZTESA-N 0 0 386.293 3.368 20 30 GGEDRN Cc1ccc(S(=O)(=O)N(CCC#N)Cc2cccnc2)cc1Br ZINC000172986650 565517133 /nfs/dbraw/zinc/51/71/33/565517133.db2.gz WZORFLOOHRXDMC-UHFFFAOYSA-N 0 0 394.294 3.257 20 30 GGEDRN Cc1ccc(S(=O)(=O)N(CCC#N)Cc2ccco2)cc1Br ZINC000172986491 565517260 /nfs/dbraw/zinc/51/72/60/565517260.db2.gz BVBQYIAMGSUEFQ-UHFFFAOYSA-N 0 0 383.267 3.455 20 30 GGEDRN C[C@](C#N)(NC(=O)CN[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C1CC1 ZINC000277747367 565517389 /nfs/dbraw/zinc/51/73/89/565517389.db2.gz IQUAHZLCJKQSJN-HUUCEWRRSA-N 0 0 377.769 3.481 20 30 GGEDRN C[C@](C#N)(NC(=O)CN[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C1CC1 ZINC000277747372 565517844 /nfs/dbraw/zinc/51/78/44/565517844.db2.gz 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CC1(C)CCCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)[C@H]1C#N ZINC000278013041 565534476 /nfs/dbraw/zinc/53/44/76/565534476.db2.gz SOWILKZMPFKSGG-AWEZNQCLSA-N 0 0 399.310 3.007 20 30 GGEDRN N#Cc1cc(Br)ccc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000302173772 565535286 /nfs/dbraw/zinc/53/52/86/565535286.db2.gz MOBPBBXQDLBQQC-UHFFFAOYSA-N 0 0 388.240 3.309 20 30 GGEDRN C=CCN(CC=C)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000173184053 565535352 /nfs/dbraw/zinc/53/53/52/565535352.db2.gz HYUKLGZTHXMODZ-UHFFFAOYSA-N 0 0 375.244 3.028 20 30 GGEDRN C=CCSCCNC(=O)c1nc(Br)ccc1Br ZINC000190484061 565535820 /nfs/dbraw/zinc/53/58/20/565535820.db2.gz BGSBRUDHRCIWEO-UHFFFAOYSA-N 0 0 380.105 3.256 20 30 GGEDRN C#CCNC(=O)c1ccc(NCc2cc3cc(Br)ccc3[nH]2)nc1 ZINC000302195583 565536064 /nfs/dbraw/zinc/53/60/64/565536064.db2.gz DVIQSNHIMYYABF-UHFFFAOYSA-N 0 0 383.249 3.301 20 30 GGEDRN N#Cc1cc(Br)ccc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000302191406 565536266 /nfs/dbraw/zinc/53/62/66/565536266.db2.gz RCEGOXNPYODRSY-UHFFFAOYSA-N 0 0 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C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)OC)c1Br ZINC000190701855 565552916 /nfs/dbraw/zinc/55/29/16/565552916.db2.gz CRKOEOBOGXGDEV-LLVKDONJSA-N 0 0 397.269 3.035 20 30 GGEDRN C=CCN(CC(=O)N1CCC[C@H](C(=O)OCC)C1)Cc1ccc(Cl)s1 ZINC000302739388 565554023 /nfs/dbraw/zinc/55/40/23/565554023.db2.gz ILXXJUTVXKIBNR-AWEZNQCLSA-N 0 0 384.929 3.191 20 30 GGEDRN Cc1cc(-n2cncn2)ccc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000173374144 565554105 /nfs/dbraw/zinc/55/41/05/565554105.db2.gz UETYHDMQTBRUEZ-KRWDZBQOSA-N 0 0 396.248 3.333 20 30 GGEDRN C=CCN(CC(=O)N1CCC[C@@H](C(=O)OCC)C1)Cc1ccc(Cl)s1 ZINC000302739389 565554800 /nfs/dbraw/zinc/55/48/00/565554800.db2.gz ILXXJUTVXKIBNR-CQSZACIVSA-N 0 0 384.929 3.191 20 30 GGEDRN N#C[C@H](NC(=O)c1c[nH]c(=O)c2ccccc12)c1cccc(Br)c1 ZINC000190742883 565556133 /nfs/dbraw/zinc/55/61/33/565556133.db2.gz YXGZNUGADYXZQM-INIZCTEOSA-N 0 0 382.217 3.285 20 30 GGEDRN C[C@@H](C#N)CNCc1cc(I)c(Br)cc1F ZINC000390247277 565556521 /nfs/dbraw/zinc/55/65/21/565556521.db2.gz 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ZINC000392033455 565562579 /nfs/dbraw/zinc/56/25/79/565562579.db2.gz ISBPNVNQEYCJPO-UHFFFAOYSA-N 0 0 394.246 3.066 20 30 GGEDRN N#Cc1cccc(C#N)c1N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000302905867 565562963 /nfs/dbraw/zinc/56/29/63/565562963.db2.gz WFNLOXHKUQVQHP-UHFFFAOYSA-N 0 0 395.260 3.155 20 30 GGEDRN N#Cc1cccc(C#N)c1NCCCNC(=O)c1cccc(Br)c1 ZINC000302884551 565563309 /nfs/dbraw/zinc/56/33/09/565563309.db2.gz LTNKPNLPOXCUBK-UHFFFAOYSA-N 0 0 383.249 3.424 20 30 GGEDRN C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCc3sccc3C2)cc1 ZINC000278587743 565567281 /nfs/dbraw/zinc/56/72/81/565567281.db2.gz KSAXWMFBLQJCPI-LBPRGKRZSA-N 0 0 375.475 3.024 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC(c3ccc(O)cc3)CC2)c1 ZINC000393053105 565567513 /nfs/dbraw/zinc/56/75/13/565567513.db2.gz PFLBWTQWCVZJSQ-UHFFFAOYSA-N 0 0 376.865 3.486 20 30 GGEDRN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccc(C#N)cc2Cl)c1C ZINC000393199052 565568167 /nfs/dbraw/zinc/56/81/67/565568167.db2.gz FNHHJUKMQOCWJU-UHFFFAOYSA-N 0 0 381.841 3.134 20 30 GGEDRN CC(C)(C#N)CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000278669220 565571880 /nfs/dbraw/zinc/57/18/80/565571880.db2.gz QVVQHZBGKOVFJI-MRXNPFEDSA-N 0 0 389.297 3.098 20 30 GGEDRN Cc1[nH]nc(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)c1C#N ZINC000278696536 565573028 /nfs/dbraw/zinc/57/30/28/565573028.db2.gz RPSGIDDJTBEJML-HNNXBMFYSA-N 0 0 388.269 3.128 20 30 GGEDRN N#C[C@H](NC(=O)C(=O)NCc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000173640951 565573168 /nfs/dbraw/zinc/57/31/68/565573168.db2.gz OLOWOAPVZOYBBX-HNNXBMFYSA-N 0 0 380.206 3.130 20 30 GGEDRN C=CCC1(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)CCC1 ZINC000190968052 565573389 /nfs/dbraw/zinc/57/33/89/565573389.db2.gz XSPAZWCPKWKSBY-UHFFFAOYSA-N 0 0 391.309 3.480 20 30 GGEDRN N#CCN(C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CCCC1 ZINC000303805930 565574191 /nfs/dbraw/zinc/57/41/91/565574191.db2.gz XWRZYJBBVILVCG-ZDUSSCGKSA-N 0 0 390.281 3.097 20 30 GGEDRN C=CCn1c(SCCCCCS(=O)(=O)CC)nc2sccc2c1=O ZINC000190987375 565574575 /nfs/dbraw/zinc/57/45/75/565574575.db2.gz QGYNLWRNQROXDM-UHFFFAOYSA-N 0 0 386.564 3.341 20 30 GGEDRN COc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1C#N)C[C@@H](C)O2 ZINC000173664423 565574876 /nfs/dbraw/zinc/57/48/76/565574876.db2.gz GAQDDMUOXOOIJH-LLVKDONJSA-N 0 0 378.837 3.196 20 30 GGEDRN C=CCn1c(SC[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccc(Cl)c1 ZINC000278739859 565575055 /nfs/dbraw/zinc/57/50/55/565575055.db2.gz QGMIIFZLKGGNCD-LBPRGKRZSA-N 0 0 383.926 3.311 20 30 GGEDRN N#CC[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000397784435 565576723 /nfs/dbraw/zinc/57/67/23/565576723.db2.gz JUCCAFRWTVOLHG-SNVBAGLBSA-N 0 0 377.691 3.417 20 30 GGEDRN CNC(=O)CC1S/C(=N\[C@H](C)c2cccs2)N(CC2(SC)CC2)C1=O ZINC000278777609 565577507 /nfs/dbraw/zinc/57/75/07/565577507.db2.gz TYWGFEDRMAAGER-PLMVQGPJSA-N 0 0 397.591 3.141 20 30 GGEDRN COc1ccc(S(=O)(=O)Nc2ccc(C#N)c(F)c2)cc1Br ZINC000307957764 565578460 /nfs/dbraw/zinc/57/84/60/565578460.db2.gz HIZUQVJFBOPSPZ-UHFFFAOYSA-N 0 0 385.214 3.269 20 30 GGEDRN CCOC(=O)[C@H](NC(=O)CC(C)(C)C#N)c1ccc(OC)c(Br)c1 ZINC000278816440 565578485 /nfs/dbraw/zinc/57/84/85/565578485.db2.gz OXRJFPWERPICMB-OAHLLOKOSA-N 0 0 397.269 3.118 20 30 GGEDRN N#CCCC1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000399274721 565578894 /nfs/dbraw/zinc/57/88/94/565578894.db2.gz JDQPWMXGUQQGSQ-UHFFFAOYSA-N 0 0 375.263 3.293 20 30 GGEDRN Cc1cc(S(=O)(=O)NCc2cc(C#N)ccc2F)ccc1Br ZINC000173739516 565580108 /nfs/dbraw/zinc/58/01/08/565580108.db2.gz PFCSXLLMBUOJIA-UHFFFAOYSA-N 0 0 383.242 3.247 20 30 GGEDRN N#Cc1ccc(F)c(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000173739645 565580263 /nfs/dbraw/zinc/58/02/63/565580263.db2.gz OYRKHJXJSUGIJN-UHFFFAOYSA-N 0 0 376.306 3.334 20 30 GGEDRN COc1ccc(Br)cc1Cn1cc(Br)cc(C#N)c1=O ZINC000312718872 565581510 /nfs/dbraw/zinc/58/15/10/565581510.db2.gz HDXLUUDELBWPRD-UHFFFAOYSA-N 0 0 398.054 3.302 20 30 GGEDRN COc1cc(Br)ccc1OC[C@H](O)COc1ccc(C#N)cc1 ZINC000402413556 565582035 /nfs/dbraw/zinc/58/20/35/565582035.db2.gz XBXNEURAJUUACT-CQSZACIVSA-N 0 0 378.222 3.148 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)/C=C/c2cc(Br)cs2)n1 ZINC000278878237 565582908 /nfs/dbraw/zinc/58/29/08/565582908.db2.gz COXXMFLHBLKBGR-AATRIKPKSA-N 0 0 378.295 3.402 20 30 GGEDRN C=CCN(CCOC)C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000191128689 565583946 /nfs/dbraw/zinc/58/39/46/565583946.db2.gz BZQQTPVQNDLVRI-LBPRGKRZSA-N 0 0 399.285 3.125 20 30 GGEDRN Cc1noc(C)c1[C@@H](C)CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278910716 565585491 /nfs/dbraw/zinc/58/54/91/565585491.db2.gz VSVSFBAWMICXHC-VIFPVBQESA-N 0 0 398.282 3.008 20 30 GGEDRN CC(C)(C#N)CC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000278945377 565586665 /nfs/dbraw/zinc/58/66/65/565586665.db2.gz GNLMFHVNMKCKQJ-UHFFFAOYSA-N 0 0 378.314 3.470 20 30 GGEDRN C[C@@H]1CC[C@H](COc2c(I)cc(C#N)cc2[N+](=O)[O-])O1 ZINC000191210322 565588665 /nfs/dbraw/zinc/58/86/65/565588665.db2.gz AFCBQLJKBUJSCM-PSASIEDQSA-N 0 0 388.161 3.017 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)CCc2cc(F)ccc2Br)n1 ZINC000278990152 565588863 /nfs/dbraw/zinc/58/88/63/565588863.db2.gz QVQTWAIWZCBBSW-UHFFFAOYSA-N 0 0 392.272 3.399 20 30 GGEDRN C[C@H]1CC[C@@H](COc2c(I)cc(C#N)cc2[N+](=O)[O-])O1 ZINC000191210363 565588971 /nfs/dbraw/zinc/58/89/71/565588971.db2.gz AFCBQLJKBUJSCM-WPRPVWTQSA-N 0 0 388.161 3.017 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)c1ccc(Br)cc1Br ZINC000315697586 565590434 /nfs/dbraw/zinc/59/04/34/565590434.db2.gz DNKPDZZBYYAHCP-SNVBAGLBSA-N 0 0 377.076 3.269 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)Nc1cc2c(cc1Cl)CCC2=O ZINC000191226303 565589872 /nfs/dbraw/zinc/58/98/72/565589872.db2.gz NHLKDNJKGOBHNF-UHFFFAOYSA-N 0 0 376.821 3.150 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)[C@H](C)Oc2ccccc2Br)n1 ZINC000279009594 565589860 /nfs/dbraw/zinc/58/98/60/565589860.db2.gz UCZLVELYQYRTET-AWEZNQCLSA-N 0 0 390.281 3.095 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N(C)Cc1ccc(Br)cc1 ZINC000315932437 565590473 /nfs/dbraw/zinc/59/04/73/565590473.db2.gz HVYQRCSSOLMBJJ-UHFFFAOYSA-N 0 0 379.279 3.450 20 30 GGEDRN CC(C)CCN(CCC#N)C(=O)c1cc(I)ccc1O ZINC000191251541 565591387 /nfs/dbraw/zinc/59/13/87/565591387.db2.gz IODLGOBIZCVTRH-UHFFFAOYSA-N 0 0 386.233 3.399 20 30 GGEDRN CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000173836379 565592187 /nfs/dbraw/zinc/59/21/87/565592187.db2.gz CTHWHKSNHYVOFP-NSHDSACASA-N 0 0 375.397 3.463 20 30 GGEDRN CC[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000173836040 565592471 /nfs/dbraw/zinc/59/24/71/565592471.db2.gz TXYNHJWFBXXLLB-LLVKDONJSA-N 0 0 375.397 3.463 20 30 GGEDRN CNC(=O)CC1S/C(=N/c2ccc(Cl)cc2)N(C[C@@H]2CCSC2)C1=O ZINC000279057309 565593151 /nfs/dbraw/zinc/59/31/51/565593151.db2.gz APGOKQPTLRXCIK-AXSIEWBXSA-N 0 0 397.953 3.161 20 30 GGEDRN C=CCCS(=O)(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000279088113 565594202 /nfs/dbraw/zinc/59/42/02/565594202.db2.gz MZEORLBMDONSML-UHFFFAOYSA-N 0 0 387.299 3.003 20 30 GGEDRN C=CCN(C(=O)Nc1cc(Cl)c(Cl)cc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000191289117 565594748 /nfs/dbraw/zinc/59/47/48/565594748.db2.gz YTFLTHOOCXJDPG-JTQLQIEISA-N 0 0 393.292 3.209 20 30 GGEDRN CCc1cc(C#N)c(NC(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)s1 ZINC000279096102 565595337 /nfs/dbraw/zinc/59/53/37/565595337.db2.gz GUHOQPPDUNDSSR-INIZCTEOSA-N 0 0 376.503 3.339 20 30 GGEDRN N#Cc1c(Br)cccc1S(=O)(=O)NC1CCC(F)(F)CC1 ZINC000408113824 565596024 /nfs/dbraw/zinc/59/60/24/565596024.db2.gz ASVVQQYMIZAZFX-UHFFFAOYSA-N 0 0 379.226 3.177 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)cc1Br ZINC000279117939 565597307 /nfs/dbraw/zinc/59/73/07/565597307.db2.gz PUIGCYNPBMYZON-MRXNPFEDSA-N 0 0 392.278 3.242 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1Br ZINC000408191001 565597797 /nfs/dbraw/zinc/59/77/97/565597797.db2.gz CATJQSNVFYGGAA-PHIMTYICSA-N 0 0 387.274 3.271 20 30 GGEDRN CN(Cc1cccc(Br)c1OCC(C)(C)O)C[C@@H](C#N)CCC#N ZINC000191347895 565598186 /nfs/dbraw/zinc/59/81/86/565598186.db2.gz QZRPRGJURUXNFI-CQSZACIVSA-N 0 0 394.313 3.474 20 30 GGEDRN O=C(Nc1ccc(C(=O)NCC(F)(F)C(F)F)cc1)OCC(F)(F)F ZINC000191344091 565598337 /nfs/dbraw/zinc/59/83/37/565598337.db2.gz HDFRGSGTSUDWTC-UHFFFAOYSA-N 0 0 376.228 3.428 20 30 GGEDRN COc1cc(Br)cc(NS(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000319737917 565599867 /nfs/dbraw/zinc/59/98/67/565599867.db2.gz NZHQNZXLNRJYOP-UHFFFAOYSA-N 0 0 381.251 3.439 20 30 GGEDRN N#Cc1cccc(NC(=O)CS(=O)(=O)Cc2cc(Cl)ccc2Cl)c1 ZINC000173951752 565601925 /nfs/dbraw/zinc/60/19/25/565601925.db2.gz RQCKHYJTIMQHOS-UHFFFAOYSA-N 0 0 383.256 3.419 20 30 GGEDRN CS(=O)(=O)c1cc(NC(=O)CSc2ccc(C#N)cc2)ccc1Cl ZINC000191418700 565602410 /nfs/dbraw/zinc/60/24/10/565602410.db2.gz NMSSDOGPQOSJAZ-UHFFFAOYSA-N 0 0 380.878 3.346 20 30 GGEDRN N#CCCN(CC(F)(F)F)S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000173977075 565604031 /nfs/dbraw/zinc/60/40/31/565604031.db2.gz SRQPBLAPFSZSBY-UHFFFAOYSA-N 0 0 376.278 3.052 20 30 GGEDRN C=CCC[C@@H](CO)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC000321116417 565604112 /nfs/dbraw/zinc/60/41/12/565604112.db2.gz PLXWLJXWZUDTTB-JQWIXIFHSA-N 0 0 376.678 3.313 20 30 GGEDRN N#CCSCCCSc1nnc(-c2ccccc2Br)n1N ZINC000174001022 565604944 /nfs/dbraw/zinc/60/49/44/565604944.db2.gz YHEMUHXUVYYYKJ-UHFFFAOYSA-N 0 0 384.328 3.160 20 30 GGEDRN N#C[C@@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)CCO1 ZINC000279283895 565605860 /nfs/dbraw/zinc/60/58/60/565605860.db2.gz APNLGSYWHNOKTP-SECBINFHSA-N 0 0 394.147 3.104 20 30 GGEDRN N#CCSCCCSc1nnc(-c2cccc(Br)c2)n1N ZINC000174008859 565606619 /nfs/dbraw/zinc/60/66/19/565606619.db2.gz UIVKHPOPJSFJHJ-UHFFFAOYSA-N 0 0 384.328 3.160 20 30 GGEDRN N#CC1(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CCOCC1 ZINC000191469649 565606727 /nfs/dbraw/zinc/60/67/27/565606727.db2.gz URDBVOYOYHPPJE-AWEZNQCLSA-N 0 0 382.291 3.399 20 30 GGEDRN N#CCCN(Cc1ccccn1)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000174008450 565606802 /nfs/dbraw/zinc/60/68/02/565606802.db2.gz IEYINIBDZVUVBK-UHFFFAOYSA-N 0 0 394.294 3.090 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)Cc2ccc(I)cc2)C1 ZINC000191464467 565606856 /nfs/dbraw/zinc/60/68/56/565606856.db2.gz VRINCKMDNXPPSN-WBMJQRKESA-N 0 0 382.245 3.422 20 30 GGEDRN CC1(C)CCCN(S(=O)(=O)c2cc(Br)ccc2F)[C@@H]1C#N ZINC000408402052 565607028 /nfs/dbraw/zinc/60/70/28/565607028.db2.gz JQJWLCNRROINLE-CYBMUJFWSA-N 0 0 375.263 3.291 20 30 GGEDRN CS[C@@H]1CCCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000408398308 565607174 /nfs/dbraw/zinc/60/71/74/565607174.db2.gz YADKVPIQHDZAEI-GFCCVEGCSA-N 0 0 389.340 3.227 20 30 GGEDRN N#C[C@@H](NC(=O)Cc1ccc(I)cc1)C1CCCCC1 ZINC000191468159 565607146 /nfs/dbraw/zinc/60/71/46/565607146.db2.gz ZBQTUGFJWPSBAN-OAHLLOKOSA-N 0 0 382.245 3.422 20 30 GGEDRN N#CCCN(Cc1ccco1)C(=O)Cc1ccc(I)cc1 ZINC000191496053 565608381 /nfs/dbraw/zinc/60/83/81/565608381.db2.gz KDZKYNWHUNVYOI-UHFFFAOYSA-N 0 0 394.212 3.369 20 30 GGEDRN COc1ccc(S(=O)(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1Br ZINC000408404601 565608549 /nfs/dbraw/zinc/60/85/49/565608549.db2.gz ZOPJVKWNTYPAPB-AWEZNQCLSA-N 0 0 387.299 3.161 20 30 GGEDRN CC1(C)CCCN(S(=O)(=O)c2ccc(Br)cc2F)[C@H]1C#N ZINC000408404320 565608627 /nfs/dbraw/zinc/60/86/27/565608627.db2.gz YKDZIQRZIXUYFC-ZDUSSCGKSA-N 0 0 375.263 3.291 20 30 GGEDRN CC1(C)CCCN(S(=O)(=O)c2ccc(Br)cc2F)[C@@H]1C#N ZINC000408404318 565608646 /nfs/dbraw/zinc/60/86/46/565608646.db2.gz YKDZIQRZIXUYFC-CYBMUJFWSA-N 0 0 375.263 3.291 20 30 GGEDRN CC#CCNC(=O)Nc1cc(OC)c(Br)cc1Br ZINC000191506059 565608810 /nfs/dbraw/zinc/60/88/10/565608810.db2.gz QXUNBCYERPFGDZ-UHFFFAOYSA-N 0 0 376.048 3.365 20 30 GGEDRN Cn1cc(CN2CCO[C@H](c3ccc(F)c(Br)c3)C2)cc1C#N ZINC000191508578 565609035 /nfs/dbraw/zinc/60/90/35/565609035.db2.gz NNVANNWHOWKEOM-KRWDZBQOSA-N 0 0 378.245 3.372 20 30 GGEDRN C#CCn1ccc(CN(CC)Cc2ccc(OC)c(O)c2Br)n1 ZINC000279407706 565611494 /nfs/dbraw/zinc/61/14/94/565611494.db2.gz NIOANGMQRXYXSG-UHFFFAOYSA-N 0 0 378.270 3.015 20 30 GGEDRN C[C@H](O/N=C/C(=O)Nc1ccccc1Br)c1nc(C2CC2)no1 ZINC000174103669 565613522 /nfs/dbraw/zinc/61/35/22/565613522.db2.gz PLFQJPYEBSURCI-PCYPHTAMSA-N 0 0 379.214 3.412 20 30 GGEDRN C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H](c2ccccc2)CO1 ZINC000174095795 565613564 /nfs/dbraw/zinc/61/35/64/565613564.db2.gz VEVNAWLPGUEJGD-UGSOOPFHSA-N 0 0 376.865 3.362 20 30 GGEDRN N#CCN1CCC(NC(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000323368115 565614215 /nfs/dbraw/zinc/61/42/15/565614215.db2.gz CYJAWWFFWRZXQP-UHFFFAOYSA-N 0 0 390.203 3.186 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)NCc2ccc(F)cc2Br)n1 ZINC000279471814 565614648 /nfs/dbraw/zinc/61/46/48/565614648.db2.gz LYCVYHAOYZXXPF-UHFFFAOYSA-N 0 0 393.260 3.150 20 30 GGEDRN N#CC1(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)CCOCC1 ZINC000279491565 565615505 /nfs/dbraw/zinc/61/55/05/565615505.db2.gz YCNVVVIZEBQEHN-MRXNPFEDSA-N 0 0 392.297 3.172 20 30 GGEDRN COc1cccc(CS(=O)(=O)Cc2cc(C#N)ccc2Br)c1 ZINC000191617811 565617024 /nfs/dbraw/zinc/61/70/24/565617024.db2.gz XHQDLEXXNZGJNX-UHFFFAOYSA-N 0 0 380.263 3.444 20 30 GGEDRN COC(=O)CCc1nc(CSCc2cc(C#N)ccc2Br)no1 ZINC000191607352 565617212 /nfs/dbraw/zinc/61/72/12/565617212.db2.gz SPQRLBMUFQHRLU-UHFFFAOYSA-N 0 0 396.266 3.243 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000409473698 565617561 /nfs/dbraw/zinc/61/75/61/565617561.db2.gz GFUAKBGQMRBBQW-RYUDHWBXSA-N 0 0 378.325 3.240 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C)Cc1c(Cl)cccc1Cl ZINC000409473697 565617565 /nfs/dbraw/zinc/61/75/65/565617565.db2.gz GFUAKBGQMRBBQW-NWDGAFQWSA-N 0 0 378.325 3.240 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000409479764 565618097 /nfs/dbraw/zinc/61/80/97/565618097.db2.gz YWNPSDBDGWCLIZ-LLVKDONJSA-N 0 0 376.309 3.298 20 30 GGEDRN C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000409485647 565618147 /nfs/dbraw/zinc/61/81/47/565618147.db2.gz NIPJXUXANHVUIY-CYBMUJFWSA-N 0 0 387.958 3.233 20 30 GGEDRN CC1(C)C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C(C)(C)O1 ZINC000409482524 565618176 /nfs/dbraw/zinc/61/81/76/565618176.db2.gz FPKHFGPAAIQXEQ-ZDUSSCGKSA-N 0 0 376.400 3.201 20 30 GGEDRN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000409485648 565618602 /nfs/dbraw/zinc/61/86/02/565618602.db2.gz NIPJXUXANHVUIY-ZDUSSCGKSA-N 0 0 387.958 3.233 20 30 GGEDRN C[C@@H]1C[C@@H](CCNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCO1 ZINC000409495299 565619559 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CCN(CCC#N)S(=O)(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000409502310 565620742 /nfs/dbraw/zinc/62/07/42/565620742.db2.gz OYUPWGIPGCQVGA-UHFFFAOYSA-N 0 0 398.941 3.076 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)[C@H](C)Oc1ccc(I)cc1 ZINC000409520262 565621380 /nfs/dbraw/zinc/62/13/80/565621380.db2.gz RAJYACQFTGWRNU-NEPJUHHUSA-N 0 0 386.233 3.067 20 30 GGEDRN COc1cc2c(=O)ncn(Cc3cc(C#N)ccc3Br)c2cc1F ZINC000191690409 565621494 /nfs/dbraw/zinc/62/14/94/565621494.db2.gz OOTXCUZRGWJYPH-UHFFFAOYSA-N 0 0 388.196 3.227 20 30 GGEDRN C[C@@H](Oc1ccc(OCc2cc(C#N)ccc2Br)cc1)C(N)=O ZINC000191686374 565621625 /nfs/dbraw/zinc/62/16/25/565621625.db2.gz FHBLAPXFGUSCLU-LLVKDONJSA-N 0 0 375.222 3.152 20 30 GGEDRN N#Cc1ccc(Br)c(CNc2ccc(C(=O)NCCCO)cc2)c1 ZINC000191697111 565621890 /nfs/dbraw/zinc/62/18/90/565621890.db2.gz WYQSLYNWMCZWDL-UHFFFAOYSA-N 0 0 388.265 3.045 20 30 GGEDRN CS(=O)(=O)Cc1ccccc1NCc1cc(C#N)ccc1Br ZINC000191696125 565621952 /nfs/dbraw/zinc/62/19/52/565621952.db2.gz UKPJKRNDURXISA-UHFFFAOYSA-N 0 0 379.279 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BCARJCLRFOUGFS-UHFFFAOYSA-N 0 0 386.184 3.497 20 30 GGEDRN C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000409551647 565623768 /nfs/dbraw/zinc/62/37/68/565623768.db2.gz BWSQMGKUOHCPAI-KDOFPFPSSA-N 0 0 377.897 3.355 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000409554111 565623910 /nfs/dbraw/zinc/62/39/10/565623910.db2.gz QQERSZGVHCNSHR-CXAGYDPISA-N 0 0 395.575 3.483 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N(Cc1ccco1)Cc1ccc(C)s1 ZINC000409562709 565624597 /nfs/dbraw/zinc/62/45/97/565624597.db2.gz SJFDMKIGSHBESB-CQSZACIVSA-N 0 0 381.523 3.378 20 30 GGEDRN C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000409560640 565624858 /nfs/dbraw/zinc/62/48/58/565624858.db2.gz GMSLEMNUNUKZGP-WBMJQRKESA-N 0 0 383.926 3.417 20 30 GGEDRN CCC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000191725643 565625600 /nfs/dbraw/zinc/62/56/00/565625600.db2.gz NUFSKRFBFJXTBA-WDEREUQCSA-N 0 0 376.400 3.044 20 30 GGEDRN C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000409586280 565625815 /nfs/dbraw/zinc/62/58/15/565625815.db2.gz JKPRJWGPVPBARD-BLLLJJGKSA-N 0 0 383.926 3.417 20 30 GGEDRN COCCN(CCC#N)S(=O)(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000409587127 565626049 /nfs/dbraw/zinc/62/60/49/565626049.db2.gz ZIVOHNPECCQBEF-GFCCVEGCSA-N 0 0 394.324 3.093 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000409592903 565626942 /nfs/dbraw/zinc/62/69/42/565626942.db2.gz AHTWBHFJELUEHS-OAHLLOKOSA-N 0 0 386.315 3.066 20 30 GGEDRN N#Cc1cc(S(=O)(=O)NCc2cc(F)cc(F)c2)ccc1C(F)(F)F ZINC000409593090 565627042 /nfs/dbraw/zinc/62/70/42/565627042.db2.gz BFWMPOMQCGLMPO-UHFFFAOYSA-N 0 0 376.306 3.334 20 30 GGEDRN CC(C)OC(=O)c1ccn(Cc2cc(C#N)ccc2Br)c(=O)c1 ZINC000191743273 565627643 /nfs/dbraw/zinc/62/76/43/565627643.db2.gz CRCQOTUSTOJLBD-UHFFFAOYSA-N 0 0 375.222 3.096 20 30 GGEDRN CSCc1noc(CCC(=O)OCc2cc(Br)cc(C#N)c2)n1 ZINC000279715877 565629404 /nfs/dbraw/zinc/62/94/04/565629404.db2.gz 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CSc1ccccc1[C@@H](C)NC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000328690013 565637911 /nfs/dbraw/zinc/63/79/11/565637911.db2.gz BNRPEJLURFSMMD-UKPHBRMFSA-N 0 0 382.551 3.425 20 30 GGEDRN Cc1cc(S(=O)(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)sc1Cl ZINC000191861904 565638048 /nfs/dbraw/zinc/63/80/48/565638048.db2.gz YZBYKXIZGRSDCC-HNNXBMFYSA-N 0 0 395.937 3.281 20 30 GGEDRN Cn1c(CC#N)nnc1S[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000279874148 565638289 /nfs/dbraw/zinc/63/82/89/565638289.db2.gz GSOHCYIXPWRWIS-LBPRGKRZSA-N 0 0 382.276 3.086 20 30 GGEDRN C=CCN(C(=O)NCc1nc(-c2cccc(Br)c2)no1)C1CC1 ZINC000279879695 565638470 /nfs/dbraw/zinc/63/84/70/565638470.db2.gz RORHNXREKGWZFS-UHFFFAOYSA-N 0 0 377.242 3.359 20 30 GGEDRN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1Cl ZINC000328693150 565638613 /nfs/dbraw/zinc/63/86/13/565638613.db2.gz SAGKPKWBEUDRPM-DAXOMENPSA-N 0 0 384.885 3.184 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000328670083 565638682 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C=CCN(Cc1cccs1)C(=O)C(=O)Nc1sccc1C(=O)OCC ZINC000174702746 565653445 /nfs/dbraw/zinc/65/34/45/565653445.db2.gz YRONRIHCWZUOPQ-UHFFFAOYSA-N 0 0 378.475 3.140 20 30 GGEDRN O=C(CN1CCOC[C@@H]1[C@@H]1CCCO1)NCCc1cccc(Cl)c1Cl ZINC000329082969 565653651 /nfs/dbraw/zinc/65/36/51/565653651.db2.gz SMWRXNHYHKYJCQ-CVEARBPZSA-N 0 0 387.307 3.372 20 30 GGEDRN Cc1cc(Br)ccc1CNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329120885 565654209 /nfs/dbraw/zinc/65/42/09/565654209.db2.gz QEFQQNPSYZCMGF-WBVHZDCISA-N 0 0 383.286 3.099 20 30 GGEDRN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(S(=O)(=O)c2ccsc2)C1 ZINC000329097784 565654460 /nfs/dbraw/zinc/65/44/60/565654460.db2.gz YNUHXBDUYSJTGB-LLVKDONJSA-N 0 0 385.898 3.485 20 30 GGEDRN Cc1nc2cc(Cl)c(NC(=O)N3CC[C@H]4OCCN(C)[C@@H]4C3)cc2s1 ZINC000329109416 565654675 /nfs/dbraw/zinc/65/46/75/565654675.db2.gz FXHWQKQQEFMHBH-HUUCEWRRSA-N 0 0 380.901 3.209 20 30 GGEDRN C[C@H](NC(=O)CCS(=O)(=O)C1CCCC1)c1ncc(Br)cn1 ZINC000329109191 565654738 /nfs/dbraw/zinc/65/47/38/565654738.db2.gz IVEAYHFTAALETQ-JTQLQIEISA-N 0 0 390.303 3.004 20 30 GGEDRN O=C(N[C@H]1CCc2c1cccc2Br)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329102744 565654773 /nfs/dbraw/zinc/65/47/73/565654773.db2.gz FSFNZYHOOVCLSZ-PZPSRYQVSA-N 0 0 395.297 3.278 20 30 GGEDRN Cc1nc2cc(Cl)c(NC(=O)N3CC[C@@H]4OCCN(C)[C@H]4C3)cc2s1 ZINC000329109415 565654795 /nfs/dbraw/zinc/65/47/95/565654795.db2.gz FXHWQKQQEFMHBH-GJZGRUSLSA-N 0 0 380.901 3.209 20 30 GGEDRN C#CCCCCNC(=O)c1cc(Br)c(C(=O)NCCCCC#C)o1 ZINC000280156501 565654969 /nfs/dbraw/zinc/65/49/69/565654969.db2.gz RVXRMAPQRLXTFI-UHFFFAOYSA-N 0 0 393.281 3.109 20 30 GGEDRN Cc1ccc2c(ncc(C#N)c2NCC2(CO)CCOCC2)c1Br ZINC000280149715 565655618 /nfs/dbraw/zinc/65/56/18/565655618.db2.gz BBNNEPDKICRZMM-UHFFFAOYSA-N 0 0 390.281 3.378 20 30 GGEDRN O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc(Br)c1 ZINC000329122657 565656139 /nfs/dbraw/zinc/65/61/39/565656139.db2.gz RGXUIDFHQQIHFT-OAHLLOKOSA-N 0 0 380.286 3.434 20 30 GGEDRN O=C(NC[C@@H]1CCCOC1)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000329169027 565657254 /nfs/dbraw/zinc/65/72/54/565657254.db2.gz IZRBSKYJEDJRDQ-WFASDCNBSA-N 0 0 396.285 3.103 20 30 GGEDRN CCC(=O)N1CCC[C@@H](C(=O)Nc2cnc3c(Br)cccn23)C1 ZINC000329156722 565657284 /nfs/dbraw/zinc/65/72/84/565657284.db2.gz CVGDOUOOFWIGRE-LLVKDONJSA-N 0 0 379.258 3.333 20 30 GGEDRN CN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3c(Cl)cccc3Cl)CC2)C1=O ZINC000329157987 565657349 /nfs/dbraw/zinc/65/73/49/565657349.db2.gz DITLAFDDBFSTHX-MRXNPFEDSA-N 0 0 384.307 3.188 20 30 GGEDRN CC(C)[C@@H](C(=O)Nc1cnc2c(Br)cccn12)N1CCCC1=O ZINC000329162075 565657378 /nfs/dbraw/zinc/65/73/78/565657378.db2.gz FWXHYKNSGLXXSU-AWEZNQCLSA-N 0 0 379.258 3.332 20 30 GGEDRN C=CCOc1cccnc1C(=O)Nc1ccc(I)c(C)n1 ZINC000410007069 565657457 /nfs/dbraw/zinc/65/74/57/565657457.db2.gz NIZSYXSDDWJZQT-UHFFFAOYSA-N 0 0 395.200 3.207 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)NCc2cc(F)ccc2Br)c1C#N ZINC000174768894 565657551 /nfs/dbraw/zinc/65/75/51/565657551.db2.gz RPNXJUGMSDFDCS-UHFFFAOYSA-N 0 0 390.212 3.023 20 30 GGEDRN C[C@H](NC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)c1ccccc1Br ZINC000329184211 565657946 /nfs/dbraw/zinc/65/79/46/565657946.db2.gz AAGSXAWUGSMYML-MAZHCROVSA-N 0 0 383.286 3.304 20 30 GGEDRN O=C(CN1CCCCCCC1=O)Nc1cnc2c(Br)cccn12 ZINC000329190997 565658328 /nfs/dbraw/zinc/65/83/28/565658328.db2.gz RFEXYTDSZRFIMD-UHFFFAOYSA-N 0 0 379.258 3.478 20 30 GGEDRN N#CC1(NC(=O)CN2CCO[C@H](c3cccc(Br)c3)C2)CCC1 ZINC000329226071 565659077 /nfs/dbraw/zinc/65/90/77/565659077.db2.gz HEDPJCURRBFWDI-HNNXBMFYSA-N 0 0 378.270 3.225 20 30 GGEDRN O=C(CCc1cc(Cl)cs1)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000329221266 565659207 /nfs/dbraw/zinc/65/92/07/565659207.db2.gz UOIVJAJAXBPDRX-WFASDCNBSA-N 0 0 377.915 3.027 20 30 GGEDRN CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc3c(s2)CCOC3)C1 ZINC000329206234 565659436 /nfs/dbraw/zinc/65/94/36/565659436.db2.gz XJABSWLRMUYSMO-RISCZKNCSA-N 0 0 376.400 3.333 20 30 GGEDRN O=C(N[C@@H]1CCCOCC1)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000329227761 565659574 /nfs/dbraw/zinc/65/95/74/565659574.db2.gz IIPMOFZSRHESID-DOMZBBRYSA-N 0 0 396.285 3.245 20 30 GGEDRN O=C(Nc1ccc(Cl)cc1Cl)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000329209655 565659663 /nfs/dbraw/zinc/65/96/63/565659663.db2.gz ZDJZFZGGEINQEU-LLVKDONJSA-N 0 0 392.308 3.276 20 30 GGEDRN O=C(N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1cc(Cl)sc1Cl ZINC000329214036 565659836 /nfs/dbraw/zinc/65/98/36/565659836.db2.gz KMEXYCCYKYYAEP-SDBXPKJASA-N 0 0 384.306 3.096 20 30 GGEDRN CCS[C@@H]1CCCCN(C(=O)Nc2nc(CN3CCOCC3)cs2)C1 ZINC000329255992 565660595 /nfs/dbraw/zinc/66/05/95/565660595.db2.gz XKLSCEOVCIFVKG-OAHLLOKOSA-N 0 0 384.571 3.128 20 30 GGEDRN CCN1CCCN(C(=O)Nc2cccc3cc(Br)cnc32)CC1=O ZINC000329246666 565660639 /nfs/dbraw/zinc/66/06/39/565660639.db2.gz RFQWXKKZJGBKBZ-UHFFFAOYSA-N 0 0 391.269 3.097 20 30 GGEDRN Cc1cc(Br)cc(C)c1CNC(=O)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329262705 565660710 /nfs/dbraw/zinc/66/07/10/565660710.db2.gz GFQHHXBAMCYTNG-IAGOWNOFSA-N 0 0 397.313 3.360 20 30 GGEDRN Cc1cc(NC(=O)N2CCn3c(nnc3C3CC3)C2)c(F)cc1Br ZINC000329270927 565660782 /nfs/dbraw/zinc/66/07/82/565660782.db2.gz HSKZXCJZJLXKRD-UHFFFAOYSA-N 0 0 394.248 3.427 20 30 GGEDRN Cc1cc(NC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c(Cl)cc1F ZINC000329260806 565661125 /nfs/dbraw/zinc/66/11/25/565661125.db2.gz ZALACBUPWOSTTD-LLVKDONJSA-N 0 0 389.880 3.070 20 30 GGEDRN Cc1ccc(S(=O)(=O)N(CCC#N)CC(F)(F)F)cc1Br ZINC000192123664 565661271 /nfs/dbraw/zinc/66/12/71/565661271.db2.gz SKSAQLJWMCULGM-UHFFFAOYSA-N 0 0 385.205 3.224 20 30 GGEDRN Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000192128590 565661338 /nfs/dbraw/zinc/66/13/38/565661338.db2.gz HWRNQCDUOUNJAT-LBPRGKRZSA-N 0 0 398.893 3.135 20 30 GGEDRN CCCC(=O)N1CSC[C@H]1C(=O)Nc1cnc2c(Br)cccn12 ZINC000329311664 565661830 /nfs/dbraw/zinc/66/18/30/565661830.db2.gz CSUBMQHCBTYYPB-NSHDSACASA-N 0 0 397.298 3.386 20 30 GGEDRN C[C@@H]1CN(Cc2csc(NC(=O)N3CCS[C@H](C)[C@H]3C)n2)C[C@H](C)O1 ZINC000329305721 565662104 /nfs/dbraw/zinc/66/21/04/565662104.db2.gz AVYQAKOHVCTVRC-XJFOESAGSA-N 0 0 384.571 3.124 20 30 GGEDRN CC1CCN(Cc2csc(NC(=O)C(C)(C)S(=O)(=O)C3CC3)n2)CC1 ZINC000329276822 565662268 /nfs/dbraw/zinc/66/22/68/565662268.db2.gz JDLBABDCWSUXFD-UHFFFAOYSA-N 0 0 385.555 3.319 20 30 GGEDRN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cnc(NC(C)=O)s2)C12CCCCC2 ZINC000329280807 565662322 /nfs/dbraw/zinc/66/23/22/565662322.db2.gz MZZHZMXZRPPILI-CHWSQXEVSA-N 0 0 387.527 3.157 20 30 GGEDRN N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000329327278 565663097 /nfs/dbraw/zinc/66/30/97/565663097.db2.gz XEASSAQAMVJLTP-HNAYVOBHSA-N 0 0 397.276 3.186 20 30 GGEDRN C=CCCOCCNC(=O)C1(c2ccc(I)cc2)CC1 ZINC000410092921 565663198 /nfs/dbraw/zinc/66/31/98/565663198.db2.gz DYNLAXVNAIFVMV-UHFFFAOYSA-N 0 0 385.245 3.032 20 30 GGEDRN Cc1sc2ncnc(SCCC(=O)N[C@H]3CCN(C(N)=O)C3)c2c1C ZINC000329331445 565663327 /nfs/dbraw/zinc/66/33/27/565663327.db2.gz ZMCNYKGBDWCIMF-NSHDSACASA-N 0 0 379.511 3.314 20 30 GGEDRN COc1c(Cl)cc(NC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)cc1Cl ZINC000329394224 565664170 /nfs/dbraw/zinc/66/41/70/565664170.db2.gz WNFDIGFLJLCSRN-ZIAGYGMSSA-N 0 0 375.252 3.427 20 30 GGEDRN O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1csc(Br)c1 ZINC000329381798 565664177 /nfs/dbraw/zinc/66/41/77/565664177.db2.gz NXLGEOFAWMGZFI-GFCCVEGCSA-N 0 0 386.315 3.495 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)c2ccc(Br)c(Cl)c2F)C1=O ZINC000410108605 565664209 /nfs/dbraw/zinc/66/42/09/565664209.db2.gz XEKAEUHDIVZWFN-NSHDSACASA-N 0 0 389.652 3.101 20 30 GGEDRN C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329378563 565664189 /nfs/dbraw/zinc/66/41/89/565664189.db2.gz PBAHGAGDZUIMOT-NILFDRSVSA-N 0 0 380.286 3.345 20 30 GGEDRN CC1(C)CN(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)CC[C@H]1O ZINC000329399933 565664244 /nfs/dbraw/zinc/66/42/44/565664244.db2.gz XPIGIANAGYCETL-CABCVRRESA-N 0 0 382.302 3.302 20 30 GGEDRN CC1(C)CN(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)CC[C@@H]1O ZINC000329399936 565664531 /nfs/dbraw/zinc/66/45/31/565664531.db2.gz XPIGIANAGYCETL-GJZGRUSLSA-N 0 0 382.302 3.302 20 30 GGEDRN CN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)NC1CCCC1 ZINC000329399438 565664705 /nfs/dbraw/zinc/66/47/05/565664705.db2.gz ASPUQKFPJOGMGB-UHFFFAOYSA-N 0 0 380.297 3.290 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)CCc2cc(Cl)ccc2Br)C1=O ZINC000410122117 565664920 /nfs/dbraw/zinc/66/49/20/565664920.db2.gz VLGWRLZZUUJJDA-OAHLLOKOSA-N 0 0 399.716 3.280 20 30 GGEDRN C[C@@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000410119016 565664994 /nfs/dbraw/zinc/66/49/94/565664994.db2.gz CDIOCTCUUQRMHC-NSHDSACASA-N 0 0 378.325 3.197 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)NCCCc1ccc(Cl)cc1Cl ZINC000410121613 565665053 /nfs/dbraw/zinc/66/50/53/565665053.db2.gz OEAWXLAQDNHJMY-GFCCVEGCSA-N 0 0 378.325 3.242 20 30 GGEDRN C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000410118235 565665138 /nfs/dbraw/zinc/66/51/38/565665138.db2.gz ALMVDHPGFMLHHL-AWEZNQCLSA-N 0 0 377.897 3.433 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)CSc2ccc(Br)cc2C)C1=O ZINC000410119657 565665144 /nfs/dbraw/zinc/66/51/44/565665144.db2.gz OQUNGLMYZUYHKV-AWEZNQCLSA-N 0 0 397.338 3.095 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3cc(Br)ccc3c2)C1=O ZINC000410115294 565665151 /nfs/dbraw/zinc/66/51/51/565665151.db2.gz JZGBXXNSLHSCSP-QGZVFWFLSA-N 0 0 387.277 3.461 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000410115414 565665196 /nfs/dbraw/zinc/66/51/96/565665196.db2.gz GUBBNTUYUDSQDT-UHFFFAOYSA-N 0 0 377.432 3.053 20 30 GGEDRN O=C(Nc1cc2n(n1)CCCC2)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000329429118 565665305 /nfs/dbraw/zinc/66/53/05/565665305.db2.gz JTFUTTVXEGAOGB-CYBMUJFWSA-N 0 0 395.232 3.003 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](CC)Cc2ccccc2Br)C1=O ZINC000410121413 565665283 /nfs/dbraw/zinc/66/52/83/565665283.db2.gz SJCAOSLKPOAKAV-WMLDXEAASA-N 0 0 393.325 3.263 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)CCC(=O)c2cc(Cl)sc2Cl)C1=O ZINC000410113531 565665296 /nfs/dbraw/zinc/66/52/96/565665296.db2.gz SHMKEJYBPYAMOC-LLVKDONJSA-N 0 0 389.304 3.263 20 30 GGEDRN C=CC[C@@H](CC)NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000410121892 565665346 /nfs/dbraw/zinc/66/53/46/565665346.db2.gz BCMWGNZSLLLOCM-OAHLLOKOSA-N 0 0 378.519 3.311 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)Cc2ccc(F)c(Br)c2)C1=O ZINC000410112117 565665381 /nfs/dbraw/zinc/66/53/81/565665381.db2.gz ZIBJNGLJODNYST-MLGOLLRUSA-N 0 0 397.288 3.012 20 30 GGEDRN O=C(NC1CC1)N[C@@H]1CCN(c2ccnc3cc(Br)ccc32)C1 ZINC000329437443 565665459 /nfs/dbraw/zinc/66/54/59/565665459.db2.gz AFNQZZCSGVJWNM-CYBMUJFWSA-N 0 0 375.270 3.242 20 30 GGEDRN O=C(Nc1csc2ccccc12)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000329426360 565665906 /nfs/dbraw/zinc/66/59/06/565665906.db2.gz IVMUTOMPIJNRTC-HNNXBMFYSA-N 0 0 375.519 3.487 20 30 GGEDRN O=C(N=c1[nH]c2c(cccc2Br)s1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329414284 565665923 /nfs/dbraw/zinc/66/59/23/565665923.db2.gz DZMKXTXIDRYJOP-NGZCFLSTSA-N 0 0 382.283 3.307 20 30 GGEDRN CCCC(O)(CCC)CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410141490 565665896 /nfs/dbraw/zinc/66/58/96/565665896.db2.gz UZTZRXBLGVURPO-UHFFFAOYSA-N 0 0 378.416 3.187 20 30 GGEDRN C[C@]1(NC(=O)c2cc(Br)c3c(c2)OCCO3)CCO[C@@H]1C1CC1 ZINC000329404135 565666087 /nfs/dbraw/zinc/66/60/87/565666087.db2.gz BLLIPLMNQSNNOE-WBVHZDCISA-N 0 0 382.254 3.483 20 30 GGEDRN O=C(Nc1cc(F)c(Br)c(Cl)c1)N1CCN2C(=O)CC[C@@H]2C1 ZINC000329423199 565666258 /nfs/dbraw/zinc/66/62/58/565666258.db2.gz HRVORMGCMBPGKF-SECBINFHSA-N 0 0 390.640 3.094 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)CCSc2ccccc2Br)C1=O ZINC000410141305 565666343 /nfs/dbraw/zinc/66/63/43/565666343.db2.gz LVWRPQVJUWGXJY-CQSZACIVSA-N 0 0 397.338 3.177 20 30 GGEDRN C=CC[C@@H](CC)NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000410139394 565666503 /nfs/dbraw/zinc/66/65/03/565666503.db2.gz LBDRYTYASYBHOU-SNVBAGLBSA-N 0 0 378.263 3.076 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)NC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000410131046 565666531 /nfs/dbraw/zinc/66/65/31/565666531.db2.gz PFFAXLATOOCOBP-GFCCVEGCSA-N 0 0 377.432 3.256 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000410132496 565666578 /nfs/dbraw/zinc/66/65/78/565666578.db2.gz DIEZNTFLPBIBCV-OAHLLOKOSA-N 0 0 377.432 3.472 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N[C@@H](Cc1ccccc1)c1sccc1C ZINC000410154011 565666786 /nfs/dbraw/zinc/66/67/86/565666786.db2.gz KXJLVHXMNARLCI-KRWDZBQOSA-N 0 0 377.535 3.410 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000410145522 565666941 /nfs/dbraw/zinc/66/69/41/565666941.db2.gz MPYPAXPFAIEKTN-CYBMUJFWSA-N 0 0 377.432 3.269 20 30 GGEDRN Cc1ccsc1[C@@H](Cc1ccccc1)NS(=O)(=O)N(C)C[C@@H](C)C#N ZINC000410154443 565667123 /nfs/dbraw/zinc/66/71/23/565667123.db2.gz NTMFBHUHLKYCBH-WMLDXEAASA-N 0 0 377.535 3.266 20 30 GGEDRN Cc1ccsc1[C@@H](Cc1ccccc1)NS(=O)(=O)N(C)C[C@H](C)C#N ZINC000410154442 565667158 /nfs/dbraw/zinc/66/71/58/565667158.db2.gz NTMFBHUHLKYCBH-RHSMWYFYSA-N 0 0 377.535 3.266 20 30 GGEDRN C[C@@H](C#N)CN(C)S(=O)(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000410145754 565667253 /nfs/dbraw/zinc/66/72/53/565667253.db2.gz OJGLIZJMPRPCJV-QWHCGFSZSA-N 0 0 377.432 3.125 20 30 GGEDRN O=C(Nc1cc2n(n1)CCCC2)N[C@H]1CCOc2ccc(Br)cc21 ZINC000329471682 565667377 /nfs/dbraw/zinc/66/73/77/565667377.db2.gz ZQOOSFFJMGCUOH-AWEZNQCLSA-N 0 0 391.269 3.254 20 30 GGEDRN O=C(Nc1cc2n(n1)CCCC2)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000329471683 565667385 /nfs/dbraw/zinc/66/73/85/565667385.db2.gz ZQOOSFFJMGCUOH-CQSZACIVSA-N 0 0 391.269 3.254 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)CCSc2ccc(Br)cc2)C1=O ZINC000410143137 565667316 /nfs/dbraw/zinc/66/73/16/565667316.db2.gz RLOWZDWMEQIZCN-HNNXBMFYSA-N 0 0 397.338 3.177 20 30 GGEDRN C[C@H](CCNS(=O)(=O)N(C)C[C@H](C)C#N)c1cccc(C(F)(F)F)c1 ZINC000410145752 565667548 /nfs/dbraw/zinc/66/75/48/565667548.db2.gz OJGLIZJMPRPCJV-CHWSQXEVSA-N 0 0 377.432 3.125 20 30 GGEDRN CC1(C#N)CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000280352453 565667466 /nfs/dbraw/zinc/66/74/66/565667466.db2.gz CDXPKXRBHDZFCU-UHFFFAOYSA-N 0 0 380.191 3.073 20 30 GGEDRN N#Cc1cccc(OCCn2c(=O)oc3cc(F)c(Br)cc32)c1 ZINC000192194554 565668016 /nfs/dbraw/zinc/66/80/16/565668016.db2.gz 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565668842 /nfs/dbraw/zinc/66/88/42/565668842.db2.gz XRANIEWDGLOPIV-UHFFFAOYSA-N 0 0 391.269 3.293 20 30 GGEDRN C[C@@H](NC(=O)N1CCOC[C@@H]1[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000329495396 565668945 /nfs/dbraw/zinc/66/89/45/565668945.db2.gz URWOVXSFERTTBE-DAXOMENPSA-N 0 0 383.286 3.304 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)C2(c3ccc(Br)cc3)CCC2)C1=O ZINC000410178999 565669074 /nfs/dbraw/zinc/66/90/74/565669074.db2.gz PNPOSXHBXYEBQF-INIZCTEOSA-N 0 0 391.309 3.116 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)[C@H](CC)Cc2cccc(Br)c2)C1=O ZINC000410180336 565669456 /nfs/dbraw/zinc/66/94/56/565669456.db2.gz XNMSCJIZSYBNPH-NVXWUHKLSA-N 0 0 393.325 3.263 20 30 GGEDRN COc1cc(NC(=O)[C@H]2COCCN2C2CCCC2)ncc1Br ZINC000329529503 565669703 /nfs/dbraw/zinc/66/97/03/565669703.db2.gz IKPFQYGTAKHATD-CYBMUJFWSA-N 0 0 384.274 3.084 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000192213539 565670075 /nfs/dbraw/zinc/67/00/75/565670075.db2.gz JMBWSCCJDPYSGP-UHFFFAOYSA-N 0 0 398.260 3.153 20 30 GGEDRN C[C@@H](NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O)c1ccc(Br)cc1 ZINC000329529725 565670301 /nfs/dbraw/zinc/67/03/01/565670301.db2.gz UAKBQZJWHQAEML-VJUNAUMWSA-N 0 0 397.313 3.286 20 30 GGEDRN O=C(NC1CC1)N[C@H]1CCN(c2ccnc3ccc(Br)cc32)C1 ZINC000329549989 565670334 /nfs/dbraw/zinc/67/03/34/565670334.db2.gz FIXSHXHHBBLDPE-ZDUSSCGKSA-N 0 0 375.270 3.242 20 30 GGEDRN COc1ccc(Br)c(CNC(=O)N[C@]2(C)CCO[C@H]2C2CC2)c1 ZINC000329561230 565670913 /nfs/dbraw/zinc/67/09/13/565670913.db2.gz MOYCYXBMHREBIB-DOTOQJQBSA-N 0 0 383.286 3.419 20 30 GGEDRN CC(C)(C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc2ncccc2c1 ZINC000329562575 565670960 /nfs/dbraw/zinc/67/09/60/565670960.db2.gz JOMVYFAVICSAQR-OAHLLOKOSA-N 0 0 379.507 3.053 20 30 GGEDRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CCn2cncc2C1 ZINC000329558258 565671403 /nfs/dbraw/zinc/67/14/03/565671403.db2.gz CEBBWKODSJDPTF-ZDUSSCGKSA-N 0 0 380.279 3.198 20 30 GGEDRN O=C(NCc1nc2cc(Br)cnc2[nH]1)C1(C2CC2)CCOCC1 ZINC000329613720 565672558 /nfs/dbraw/zinc/67/25/58/565672558.db2.gz 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CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000329626385 565674484 /nfs/dbraw/zinc/67/44/84/565674484.db2.gz GSIGAURNHFXIOH-HNNXBMFYSA-N 0 0 384.523 3.018 20 30 GGEDRN C[C@H]1C[C@H](NC(=O)N2CCc3cccc(F)c32)c2ccsc2S1(=O)=O ZINC000329637694 565674528 /nfs/dbraw/zinc/67/45/28/565674528.db2.gz VSWDFUIRXOFZGM-HZMBPMFUSA-N 0 0 380.466 3.471 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192267772 565674983 /nfs/dbraw/zinc/67/49/83/565674983.db2.gz CGVVGEYYJDQMQP-KSSFIOAISA-N 0 0 376.865 3.268 20 30 GGEDRN CCn1cc(Br)c(=O)c(NC(=O)[C@H](C)OC[C@H]2CCCCO2)c1 ZINC000329654875 565675027 /nfs/dbraw/zinc/67/50/27/565675027.db2.gz FOQNFUVEICIISC-NWDGAFQWSA-N 0 0 387.274 3.193 20 30 GGEDRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)N2CCCO2)C1=O ZINC000329660084 565675073 /nfs/dbraw/zinc/67/50/73/565675073.db2.gz OADPUDFUYJKEMM-CQSZACIVSA-N 0 0 396.285 3.113 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)c(Cl)c1 ZINC000192266414 565675089 /nfs/dbraw/zinc/67/50/89/565675089.db2.gz VANAJGJVASGMFM-YJBOKZPZSA-N 0 0 376.865 3.268 20 30 GGEDRN Cc1cc(CNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)ccc1Cl ZINC000329660923 565675239 /nfs/dbraw/zinc/67/52/39/565675239.db2.gz ILWWWAHYCHMYIF-UHFFFAOYSA-N 0 0 384.929 3.496 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192269939 565675368 /nfs/dbraw/zinc/67/53/68/565675368.db2.gz ZORXSQPBUOYMGR-KSSFIOAISA-N 0 0 376.865 3.268 20 30 GGEDRN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C ZINC000329681027 565675700 /nfs/dbraw/zinc/67/57/00/565675700.db2.gz WSJHPVVDWFSFBS-FEUHOPSXSA-N 0 0 391.320 3.260 20 30 GGEDRN CCn1cc(Br)c(=O)c(NC(=O)[C@@H](C)OC[C@@H]2CCCCO2)c1 ZINC000329654874 565675728 /nfs/dbraw/zinc/67/57/28/565675728.db2.gz FOQNFUVEICIISC-NEPJUHHUSA-N 0 0 387.274 3.193 20 30 GGEDRN CCn1cc(Br)c(=O)c(NC(=O)[C@H](C)c2c(C)nn(C)c2C)c1 ZINC000329669265 565675767 /nfs/dbraw/zinc/67/57/67/565675767.db2.gz MGUIPDAMBCZEEB-SECBINFHSA-N 0 0 381.274 3.373 20 30 GGEDRN CC[C@@H]1CC[C@H](C)N1C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000329706916 565676308 /nfs/dbraw/zinc/67/63/08/565676308.db2.gz LFPSUPRRKSVMDB-RRFJBIMHSA-N 0 0 385.555 3.078 20 30 GGEDRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329687511 565676421 /nfs/dbraw/zinc/67/64/21/565676421.db2.gz AOLNKOLKXHFOPG-IFOZYUSPSA-N 0 0 384.307 3.189 20 30 GGEDRN CC[C@@H]1CC[C@@H](C)N1C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000329706915 565676445 /nfs/dbraw/zinc/67/64/45/565676445.db2.gz LFPSUPRRKSVMDB-RBSFLKMASA-N 0 0 385.555 3.078 20 30 GGEDRN N#Cc1c(Br)cccc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000329706812 565676759 /nfs/dbraw/zinc/67/67/59/565676759.db2.gz KEVMDAPBUOYNNK-UHFFFAOYSA-N 0 0 383.311 3.258 20 30 GGEDRN O=C(N[C@@H]1CCCc2sccc21)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000329687767 565676788 /nfs/dbraw/zinc/67/67/88/565676788.db2.gz BWMVXBCORIDMQA-OAHLLOKOSA-N 0 0 382.551 3.473 20 30 GGEDRN Cc1cc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)c2ccc(Br)cc2n1 ZINC000329711933 565676858 /nfs/dbraw/zinc/67/68/58/565676858.db2.gz PGINTPGYTFENAU-GFCCVEGCSA-N 0 0 397.294 3.188 20 30 GGEDRN C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329699941 565676941 /nfs/dbraw/zinc/67/69/41/565676941.db2.gz GJEPUJPLBUGLDJ-CMPLNLGQSA-N 0 0 392.340 3.463 20 30 GGEDRN Cc1cccc2oc(CCNS(=O)(=O)c3ccc(Cl)cc3C#N)nc21 ZINC000410319583 565677069 /nfs/dbraw/zinc/67/70/69/565677069.db2.gz WVGQXYCGDSYCRO-UHFFFAOYSA-N 0 0 375.837 3.182 20 30 GGEDRN C[C@H]1C[C@H](NC(=O)NC2CC(C(F)(F)F)C2)c2ccsc2S1(=O)=O ZINC000329743548 565678125 /nfs/dbraw/zinc/67/81/25/565678125.db2.gz QBWXXKNQTCQLLO-XVLZHWOZSA-N 0 0 382.429 3.200 20 30 GGEDRN O=C(NCC1(c2ccccc2Br)CC1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329724730 565678302 /nfs/dbraw/zinc/67/83/02/565678302.db2.gz DHFGSXKPSPAVAI-XEZPLFJOSA-N 0 0 379.298 3.097 20 30 GGEDRN Cc1nsc(N2CCCN(C(=O)N[C@H]3CSc4ccccc43)CC2)n1 ZINC000329769357 565678938 /nfs/dbraw/zinc/67/89/38/565678938.db2.gz HSIAHSPZFSJAKY-AWEZNQCLSA-N 0 0 375.523 3.120 20 30 GGEDRN O=C(N[C@H]1CCCS(=O)(=O)C1)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000329776164 565679032 /nfs/dbraw/zinc/67/90/32/565679032.db2.gz JTMBRJTUVQGLBD-JTQLQIEISA-N 0 0 377.293 3.063 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)CCOC(C)C ZINC000175096651 565679149 /nfs/dbraw/zinc/67/91/49/565679149.db2.gz ZWZIWZVASNITJO-UHFFFAOYSA-N 0 0 394.306 3.331 20 30 GGEDRN CC(C)(CNC(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1)c1ccc(Br)cc1 ZINC000329760354 565679259 /nfs/dbraw/zinc/67/92/59/565679259.db2.gz QBOSVFYPAIEIOT-RCBQFDQVSA-N 0 0 381.314 3.343 20 30 GGEDRN CC(C)(CNC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)c1ccccc1Br ZINC000329764906 565679290 /nfs/dbraw/zinc/67/92/90/565679290.db2.gz WINCURSUQICCIG-ZENOOKHLSA-N 0 0 381.314 3.343 20 30 GGEDRN N#Cc1cc(Br)cc(S(=O)(=O)N2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000329776890 565679458 /nfs/dbraw/zinc/67/94/58/565679458.db2.gz KFSJYMHNVLAFJV-OAHLLOKOSA-N 0 0 381.295 3.274 20 30 GGEDRN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000175119163 565679898 /nfs/dbraw/zinc/67/98/98/565679898.db2.gz CKRPYJPFLXDTHM-LLVKDONJSA-N 0 0 379.825 3.468 20 30 GGEDRN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000329793069 565680297 /nfs/dbraw/zinc/68/02/97/565680297.db2.gz VLHPBXBHDGEPDX-PWSUYJOCSA-N 0 0 379.309 3.477 20 30 GGEDRN C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000329801593 565680315 /nfs/dbraw/zinc/68/03/15/565680315.db2.gz JTCWRKAEEIZSPM-FZMZJTMJSA-N 0 0 396.285 3.274 20 30 GGEDRN Cc1csc([C@H](NC(=O)N2CCN(Cc3cscn3)CC2)C2CC2)n1 ZINC000329809925 565680888 /nfs/dbraw/zinc/68/08/88/565680888.db2.gz QIPNUDDGHFBOAV-OAHLLOKOSA-N 0 0 377.539 3.091 20 30 GGEDRN C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000329801591 565681099 /nfs/dbraw/zinc/68/10/99/565681099.db2.gz JTCWRKAEEIZSPM-BXUZGUMPSA-N 0 0 396.285 3.274 20 30 GGEDRN CCCCS(=O)(=O)c1ccc(C(=O)N(CCC#N)CC(F)(F)F)cc1 ZINC000192324226 565681167 /nfs/dbraw/zinc/68/11/67/565681167.db2.gz WNSUMZQNWGUDMQ-UHFFFAOYSA-N 0 0 376.400 3.179 20 30 GGEDRN N#C[C@H]1N(C(=O)Cc2ccc(Br)cc2)CCC[C@]12CCCCO2 ZINC000329839202 565681921 /nfs/dbraw/zinc/68/19/21/565681921.db2.gz IZTJMUUBFJLXLS-SJLPKXTDSA-N 0 0 377.282 3.445 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(C)(c2cccc(Cl)c2)CC1 ZINC000410388051 565681937 /nfs/dbraw/zinc/68/19/37/565681937.db2.gz IXPZQORERFWMIJ-HNNXBMFYSA-N 0 0 383.945 3.420 20 30 GGEDRN C[C@]1(NC(=O)NCc2cc(Br)cc3c2OCC3)CCO[C@H]1C1CC1 ZINC000329820922 565682299 /nfs/dbraw/zinc/68/22/99/565682299.db2.gz PQGGPCNWVKAOMM-WMZOPIPTSA-N 0 0 395.297 3.345 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H]3CCCSC3)CC2)cc1 ZINC000329838360 565682308 /nfs/dbraw/zinc/68/23/08/565682308.db2.gz MMIPNXKYPLQCGT-HNNXBMFYSA-N 0 0 382.551 3.248 20 30 GGEDRN C=C(C)CS(=O)(=O)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000280580476 565682922 /nfs/dbraw/zinc/68/29/22/565682922.db2.gz MRKKQTGORUBXAQ-UHFFFAOYSA-N 0 0 379.400 3.086 20 30 GGEDRN C[C@H](C#N)CN(C)S(=O)(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000410400735 565682970 /nfs/dbraw/zinc/68/29/70/565682970.db2.gz MFOQRIGYDXPNSZ-GFCCVEGCSA-N 0 0 390.336 3.341 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Nc2cc(F)c(Br)cc2Cl)cn1 ZINC000410398058 565682995 /nfs/dbraw/zinc/68/29/95/565682995.db2.gz NSHYCTWYCYGECY-UHFFFAOYSA-N 0 0 390.621 3.309 20 30 GGEDRN Cc1sc2nc(S[C@H](C)C(=O)NC3(C#N)CCC3)n(C)c(=O)c2c1C ZINC000329863248 565683028 /nfs/dbraw/zinc/68/30/28/565683028.db2.gz RRZPQYROCGXUJD-LLVKDONJSA-N 0 0 376.507 3.495 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000410401068 565683225 /nfs/dbraw/zinc/68/32/25/565683225.db2.gz NBZYRHUUORQVAL-CHWSQXEVSA-N 0 0 377.432 3.125 20 30 GGEDRN COc1ccc(Br)c(S(=O)(=O)OCC(F)(F)C(F)F)c1 ZINC000175182518 565683552 /nfs/dbraw/zinc/68/35/52/565683552.db2.gz DGEIIWURYOLJIJ-UHFFFAOYSA-N 0 0 381.141 3.063 20 30 GGEDRN N#C[C@H]1N(C(=O)COc2ccccc2Br)CCC[C@]12CCCCO2 ZINC000329867161 565683410 /nfs/dbraw/zinc/68/34/10/565683410.db2.gz VPDFHMVTTAQLLU-SJLPKXTDSA-N 0 0 393.281 3.282 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000410401074 565683471 /nfs/dbraw/zinc/68/34/71/565683471.db2.gz NBZYRHUUORQVAL-QWHCGFSZSA-N 0 0 377.432 3.125 20 30 GGEDRN CSc1ccc([C@@H](C)NC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)cc1 ZINC000329852462 565683583 /nfs/dbraw/zinc/68/35/83/565683583.db2.gz UTFIDYMZMKWYPT-XOKHGSTOSA-N 0 0 382.551 3.425 20 30 GGEDRN CSc1ccc([C@@H](C)NC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)cc1 ZINC000329852461 565683609 /nfs/dbraw/zinc/68/36/09/565683609.db2.gz UTFIDYMZMKWYPT-KBRIMQKVSA-N 0 0 382.551 3.425 20 30 GGEDRN Cc1oc(C#N)cc1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000280606217 565683676 /nfs/dbraw/zinc/68/36/76/565683676.db2.gz PYDSKSUCWUOTCC-UHFFFAOYSA-N 0 0 390.237 3.311 20 30 GGEDRN O=C(N[C@H]1CCOc2ccc(Br)cc21)c1cc2n(n1)CCCO2 ZINC000329909391 565684338 /nfs/dbraw/zinc/68/43/38/565684338.db2.gz UZNINDUCTCCCTF-LBPRGKRZSA-N 0 0 378.226 3.257 20 30 GGEDRN N#C[C@H]1N(C(=O)COc2cccc(Br)c2)CCC[C@]12CCCCO2 ZINC000329878518 565684635 /nfs/dbraw/zinc/68/46/35/565684635.db2.gz KXCGAVGXBGAWBO-SJLPKXTDSA-N 0 0 393.281 3.282 20 30 GGEDRN C=CCOCCCC(=O)Nc1ccc(OC)cc1I ZINC000192400446 565684816 /nfs/dbraw/zinc/68/48/16/565684816.db2.gz CBGSWEVGNNYROD-UHFFFAOYSA-N 0 0 375.206 3.221 20 30 GGEDRN COc1cc(C(=O)/C=C/c2c(Br)c(C)nn2C)cc(OC)c1OC ZINC000280631603 565684814 /nfs/dbraw/zinc/68/48/14/565684814.db2.gz LVZSSUPRSUQJSQ-VOTSOKGWSA-N 0 0 395.253 3.413 20 30 GGEDRN COc1ccc(NC(=O)c2cccc(C#N)c2)c(I)c1 ZINC000192400288 565684921 /nfs/dbraw/zinc/68/49/21/565684921.db2.gz GLHNATZILLEOAM-UHFFFAOYSA-N 0 0 378.169 3.424 20 30 GGEDRN Cc1ccc(Br)cc1NC(=O)Nc1cc([C@@H]2CCCOC2)[nH]n1 ZINC000329905507 565685007 /nfs/dbraw/zinc/68/50/07/565685007.db2.gz JPKATZCTSSZYEA-LLVKDONJSA-N 0 0 379.258 3.454 20 30 GGEDRN Cc1csc(NC2CCN(C(=O)Nc3nc4c(s3)COCC4)CC2)n1 ZINC000329927282 565685394 /nfs/dbraw/zinc/68/53/94/565685394.db2.gz LMOHASSGKSGURE-UHFFFAOYSA-N 0 0 379.511 3.103 20 30 GGEDRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CCn2ccnc2C1 ZINC000329935365 565685554 /nfs/dbraw/zinc/68/55/54/565685554.db2.gz QZPQWEJNPCFDKD-CYBMUJFWSA-N 0 0 380.279 3.198 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)N(C)CCCC ZINC000410436507 565685704 /nfs/dbraw/zinc/68/57/04/565685704.db2.gz HTCYAJQROZDRLX-UHFFFAOYSA-N 0 0 385.277 3.361 20 30 GGEDRN Cc1c(Br)cccc1NC(=O)Nc1cc([C@@H]2CCCOC2)[nH]n1 ZINC000329920412 565685728 /nfs/dbraw/zinc/68/57/28/565685728.db2.gz DYNUUKQZESSBKJ-LLVKDONJSA-N 0 0 379.258 3.454 20 30 GGEDRN CC(C)(C)CC[C@@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410424479 565685925 /nfs/dbraw/zinc/68/59/25/565685925.db2.gz SMEOYWIOVUFRMK-LBPRGKRZSA-N 0 0 378.416 3.043 20 30 GGEDRN C=CCc1cc(CNCc2ccc(S(=O)(=O)CC)s2)cc(OC)c1O ZINC000280639116 565686327 /nfs/dbraw/zinc/68/63/27/565686327.db2.gz RACXQOVYPVSWGF-UHFFFAOYSA-N 0 0 381.519 3.274 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)N(C)CC(=C)C ZINC000410455168 565686744 /nfs/dbraw/zinc/68/67/44/565686744.db2.gz ZZEBYRTVTYHMTL-UHFFFAOYSA-N 0 0 383.261 3.137 20 30 GGEDRN C=C(C)CN(C)C(=O)C(=O)N1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000410457276 565686925 /nfs/dbraw/zinc/68/69/25/565686925.db2.gz GFXLVCIEUKQOCD-OAHLLOKOSA-N 0 0 395.297 3.156 20 30 GGEDRN C[C@]1(O)CCCN(C(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000329950029 565686918 /nfs/dbraw/zinc/68/69/18/565686918.db2.gz MCVYJEGZQFPHDM-KRWDZBQOSA-N 0 0 383.286 3.035 20 30 GGEDRN O=C(NC[C@@H]1CCCCO1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000329946509 565687129 /nfs/dbraw/zinc/68/71/29/565687129.db2.gz GKOQCPNJPMCSTE-GJZGRUSLSA-N 0 0 396.285 3.245 20 30 GGEDRN CC1(c2cccc(Cl)c2)CCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000329955421 565687472 /nfs/dbraw/zinc/68/74/72/565687472.db2.gz KQHPBTDFTRZTHZ-MRXNPFEDSA-N 0 0 384.929 3.185 20 30 GGEDRN COc1cc(C)c(Br)cc1S(=O)(=O)NCc1cccc(C#N)c1 ZINC000175240916 565687519 /nfs/dbraw/zinc/68/75/19/565687519.db2.gz JLESSUUCFGOATR-UHFFFAOYSA-N 0 0 395.278 3.116 20 30 GGEDRN C=CCCN(C)C(=O)C(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 ZINC000410494669 565687903 /nfs/dbraw/zinc/68/79/03/565687903.db2.gz RJHYOCMHVOSYIK-AWEZNQCLSA-N 0 0 397.338 3.479 20 30 GGEDRN C=C(C)CN(C)C(=O)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000410510542 565688062 /nfs/dbraw/zinc/68/80/62/565688062.db2.gz QUVCCXXKQTWMTJ-OAHLLOKOSA-N 0 0 389.254 3.067 20 30 GGEDRN C[C@@H]1CN(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)C[C@@]2(CCOC2)O1 ZINC000329997377 565688030 /nfs/dbraw/zinc/68/80/30/565688030.db2.gz QLUNXPCKHNJOPC-OMXAPOSASA-N 0 0 387.263 3.221 20 30 GGEDRN Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(Br)cn2)no1 ZINC000329993603 565688250 /nfs/dbraw/zinc/68/82/50/565688250.db2.gz LOZVDMFVQUPHQD-RNCFNFMXSA-N 0 0 380.246 3.348 20 30 GGEDRN C[C@H](NC(=O)N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(Br)cn1 ZINC000329986744 565688668 /nfs/dbraw/zinc/68/86/68/565688668.db2.gz FOAMDJSHRJGTBQ-GXTWGEPZSA-N 0 0 398.301 3.137 20 30 GGEDRN CCN1CCN(C(=O)NCc2ccc(Br)s2)C[C@H]1c1ncc[nH]1 ZINC000329991034 565688847 /nfs/dbraw/zinc/68/88/47/565688847.db2.gz JOMSWNPXADFXFN-LBPRGKRZSA-N 0 0 398.330 3.027 20 30 GGEDRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N(C)CCC#N ZINC000175272429 565689200 /nfs/dbraw/zinc/68/92/00/565689200.db2.gz IZSHEVOKOWCYSW-UHFFFAOYSA-N 0 0 375.270 3.296 20 30 GGEDRN COc1ccc(Br)c(S(=O)(=O)N(CCC#N)CC(C)(C)C)c1 ZINC000175272917 565689219 /nfs/dbraw/zinc/68/92/19/565689219.db2.gz QGNRINIIAYVRAA-UHFFFAOYSA-N 0 0 389.315 3.408 20 30 GGEDRN CCN1CCN(C(=O)Nc2cccc(Br)c2)C[C@H]1c1ncc[nH]1 ZINC000330014992 565689770 /nfs/dbraw/zinc/68/97/70/565689770.db2.gz BIGFBHLUJZLCNQ-AWEZNQCLSA-N 0 0 378.274 3.097 20 30 GGEDRN CCO[C@@H]1C[C@H](NC(=O)c2cc3sc(N4CCCC4)nc3s2)[C@@H]1OC ZINC000330018809 565689797 /nfs/dbraw/zinc/68/97/97/565689797.db2.gz UDBCNWXKMKKYFW-WDMOLILDSA-N 0 0 381.523 3.455 20 30 GGEDRN C=CCSCCNC(=O)Nc1ccc(OC)cc1I ZINC000192431975 565690930 /nfs/dbraw/zinc/69/09/30/565690930.db2.gz KIQMVXUEKITFJT-UHFFFAOYSA-N 0 0 392.262 3.341 20 30 GGEDRN NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000330017898 565689858 /nfs/dbraw/zinc/68/98/58/565689858.db2.gz RXUQHXRTJKKEST-AAEUAGOBSA-N 0 0 385.251 3.012 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1ccsc1Br ZINC000410576973 565689866 /nfs/dbraw/zinc/68/98/66/565689866.db2.gz ZHZDGQYJZGGYBO-UHFFFAOYSA-N 0 0 397.254 3.050 20 30 GGEDRN C=CC1CCN(S(=O)(=O)c2cc(Br)c(OC)cc2OC)CC1 ZINC000175280682 565690401 /nfs/dbraw/zinc/69/04/01/565690401.db2.gz UXIFDQIEQUCKSB-UHFFFAOYSA-N 0 0 390.299 3.053 20 30 GGEDRN Cc1nn(CCS(C)(=O)=O)c(C)c1CS[C@@H](C)c1ccc(C#N)cc1 ZINC000280710207 565690482 /nfs/dbraw/zinc/69/04/82/565690482.db2.gz UBAFAJDGGVVKKN-HNNXBMFYSA-N 0 0 377.535 3.411 20 30 GGEDRN C[C@@H]1CN(Cc2csc(NC(=O)N3CCSCC[C@H]3C)n2)C[C@@H](C)O1 ZINC000330074838 565690963 /nfs/dbraw/zinc/69/09/63/565690963.db2.gz CZHIHZGBDJAKFL-MGPQQGTHSA-N 0 0 384.571 3.125 20 30 GGEDRN C[C@@H]1CN(Cc2csc(NC(=O)N3CCSCC[C@@H]3C)n2)C[C@@H](C)O1 ZINC000330074818 565690986 /nfs/dbraw/zinc/69/09/86/565690986.db2.gz CZHIHZGBDJAKFL-BFHYXJOUSA-N 0 0 384.571 3.125 20 30 GGEDRN O=C(NC[C@H]1CCCCS1(=O)=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000330079113 565691078 /nfs/dbraw/zinc/69/10/78/565691078.db2.gz ILAYAPVBPFLRNH-QGZVFWFLSA-N 0 0 384.929 3.401 20 30 GGEDRN O=C(NCCc1c[nH]c2ccc(Br)cc12)[C@H]1CCCCS1(=O)=O ZINC000330071413 565691152 /nfs/dbraw/zinc/69/11/52/565691152.db2.gz YBDKLPARGAOZJO-OAHLLOKOSA-N 0 0 399.310 3.397 20 30 GGEDRN C=CCCOCCNC(=O)Nc1ccc(OC)cc1I ZINC000192433283 565692023 /nfs/dbraw/zinc/69/20/23/565692023.db2.gz SFTJATAAPKQMGQ-UHFFFAOYSA-N 0 0 390.221 3.014 20 30 GGEDRN O=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)N[C@H]1CCCSC1 ZINC000330100260 565692129 /nfs/dbraw/zinc/69/21/29/565692129.db2.gz DTEOMUHOENXYMP-AWEZNQCLSA-N 0 0 383.539 3.083 20 30 GGEDRN C[C@@H]1CN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@@H](C)S1=O ZINC000330102398 565692273 /nfs/dbraw/zinc/69/22/73/565692273.db2.gz GCTCSQGQGIBOBD-VXGBXAGGSA-N 0 0 381.498 3.379 20 30 GGEDRN CCS[C@@H]1CCC[C@@H](NC(=O)Nc2nc(CN3CCOCC3)cs2)C1 ZINC000330102011 565692303 /nfs/dbraw/zinc/69/23/03/565692303.db2.gz FUTKCDIXWIRSDW-UKRRQHHQSA-N 0 0 384.571 3.366 20 30 GGEDRN CCc1nc(CN2CCC(CNC(=O)N[C@H]3CCCSC3)CC2)cs1 ZINC000330099307 565692487 /nfs/dbraw/zinc/69/24/87/565692487.db2.gz CYLJNNPFIBRZMT-HNNXBMFYSA-N 0 0 382.599 3.317 20 30 GGEDRN C[C@H](C(=O)N[C@H]1CCSc2c(F)cccc21)S(=O)(=O)C1CCOCC1 ZINC000330108332 565692554 /nfs/dbraw/zinc/69/25/54/565692554.db2.gz NMVLSWDEKKEBIV-ABAIWWIYSA-N 0 0 387.498 3.301 20 30 GGEDRN CC(C)(C)c1nnc2sc(SCc3cc(C#N)ccc3F)nn2c1=O ZINC000192455530 565692574 /nfs/dbraw/zinc/69/25/74/565692574.db2.gz HEUWSYJDKLLWKC-UHFFFAOYSA-N 0 0 375.454 3.147 20 30 GGEDRN O=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)N[C@@H]1CCCSC1 ZINC000330100261 565692630 /nfs/dbraw/zinc/69/26/30/565692630.db2.gz DTEOMUHOENXYMP-CQSZACIVSA-N 0 0 383.539 3.083 20 30 GGEDRN O=C(N[C@@H]1CCCc2c[nH]nc21)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000330113698 565693118 /nfs/dbraw/zinc/69/31/18/565693118.db2.gz DFNFIZRJMNDAAJ-CQSZACIVSA-N 0 0 379.917 3.234 20 30 GGEDRN Cc1cccc(CNC(=O)N2C[C@H](C)O[C@@]3(CCCOC3)C2)c1Br ZINC000330127259 565693162 /nfs/dbraw/zinc/69/31/62/565693162.db2.gz MSDFNILITJBLCI-KSSFIOAISA-N 0 0 397.313 3.441 20 30 GGEDRN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)N[C@@H]1CCCSC1 ZINC000330120596 565693357 /nfs/dbraw/zinc/69/33/57/565693357.db2.gz JDCXTGSMZOWUBI-IAGOWNOFSA-N 0 0 383.945 3.113 20 30 GGEDRN O=C(N[C@H]1CCCc2c[nH]nc21)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000330113697 565693481 /nfs/dbraw/zinc/69/34/81/565693481.db2.gz DFNFIZRJMNDAAJ-AWEZNQCLSA-N 0 0 379.917 3.234 20 30 GGEDRN Cn1cc([C@H]2CSCCN2CC(=O)Nc2nc3c(s2)CCCC3)cn1 ZINC000330123161 565693654 /nfs/dbraw/zinc/69/36/54/565693654.db2.gz KQYSQPLIAJGMEE-CQSZACIVSA-N 0 0 377.539 3.134 20 30 GGEDRN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)N[C@H]1CCCSC1 ZINC000330120595 565693666 /nfs/dbraw/zinc/69/36/66/565693666.db2.gz JDCXTGSMZOWUBI-DLBZAZTESA-N 0 0 383.945 3.113 20 30 GGEDRN CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc2ncsc2c1)N1CCCS1(=O)=O ZINC000330119953 565693924 /nfs/dbraw/zinc/69/39/24/565693924.db2.gz GCIRQRSWQYOKLO-LRDDRELGSA-N 0 0 381.523 3.374 20 30 GGEDRN O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)N[C@H]1CCCSC1 ZINC000330149836 565694259 /nfs/dbraw/zinc/69/42/59/565694259.db2.gz KJAQPRAOFXCOPP-DLBZAZTESA-N 0 0 383.945 3.113 20 30 GGEDRN CC1(C)CC[C@@H](NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)C1 ZINC000330148518 565694334 /nfs/dbraw/zinc/69/43/34/565694334.db2.gz USBHXKPQSSVDRI-SNVBAGLBSA-N 0 0 377.436 3.172 20 30 GGEDRN N#CCCN(CC1CC1)C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000280776705 565694469 /nfs/dbraw/zinc/69/44/69/565694469.db2.gz ZOVJGUAOZWUOFN-UHFFFAOYSA-N 0 0 389.257 3.187 20 30 GGEDRN O=C(N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000330142224 565694522 /nfs/dbraw/zinc/69/45/22/565694522.db2.gz QLMYKGFBCUABPQ-LGSVPQMISA-N 0 0 389.926 3.198 20 30 GGEDRN Cc1nc(C)c(NC(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)s1 ZINC000330138468 565694606 /nfs/dbraw/zinc/69/46/06/565694606.db2.gz IIIPZTBYBXMKPB-LBPRGKRZSA-N 0 0 385.898 3.419 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000280765753 565694595 /nfs/dbraw/zinc/69/45/95/565694595.db2.gz YKBYLNUECZSUEY-AWEZNQCLSA-N 0 0 393.285 3.499 20 30 GGEDRN Cc1cscc1NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000330139335 565694962 /nfs/dbraw/zinc/69/49/62/565694962.db2.gz OTMVEEAFXRRNIP-UHFFFAOYSA-N 0 0 377.417 3.295 20 30 GGEDRN CC[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000330139655 565695160 /nfs/dbraw/zinc/69/51/60/565695160.db2.gz OZPPIXHGBKFNHA-GHMZBOCLSA-N 0 0 377.436 3.172 20 30 GGEDRN [O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+][C@@H]1CCc2cc(Br)ccc21 ZINC000330173199 565695532 /nfs/dbraw/zinc/69/55/32/565695532.db2.gz HDDWZFNVWAWRFM-UKRRQHHQSA-N 0 0 375.270 3.152 20 30 GGEDRN O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)N[C@H]1CCCSC1 ZINC000330165202 565695579 /nfs/dbraw/zinc/69/55/79/565695579.db2.gz WSCJPKMNCYANLW-WMLDXEAASA-N 0 0 383.945 3.113 20 30 GGEDRN O=C(N[C@H]1CCOc2ccc(Br)cc21)N1CC2(C1)CCOCC2 ZINC000330177048 565696310 /nfs/dbraw/zinc/69/63/10/565696310.db2.gz KKGWLRWTJMJUAO-AWEZNQCLSA-N 0 0 381.270 3.299 20 30 GGEDRN N#Cc1cccc(CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)c1 ZINC000175370196 565696518 /nfs/dbraw/zinc/69/65/18/565696518.db2.gz 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ZINC000416390849 566061192 /nfs/dbraw/zinc/06/11/92/566061192.db2.gz PXOZKNMKEVIOAK-NHYWBVRUSA-N 0 0 377.491 3.028 20 30 GGEDRN C[C@@H](C#N)S(=O)(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000416391804 566061244 /nfs/dbraw/zinc/06/12/44/566061244.db2.gz RYLSCMYBRDDWRD-JOYOIKCWSA-N 0 0 375.313 3.160 20 30 GGEDRN CCOc1ccc(Br)cc1CN(C1CC1)S(=O)(=O)[C@H](C)C#N ZINC000416395645 566062388 /nfs/dbraw/zinc/06/23/88/566062388.db2.gz ZMMJTEQRDNOYJR-LLVKDONJSA-N 0 0 387.299 3.054 20 30 GGEDRN N#Cc1ccccc1NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000247659253 566064171 /nfs/dbraw/zinc/06/41/71/566064171.db2.gz RFLUVWPAKUFBBP-UHFFFAOYSA-N 0 0 397.232 3.059 20 30 GGEDRN N#Cc1ccc(NC(=O)CS(=O)(=O)CCCc2ccccc2)cc1Cl ZINC000247635566 566064287 /nfs/dbraw/zinc/06/42/87/566064287.db2.gz DNUCVHJBHCMKMC-UHFFFAOYSA-N 0 0 376.865 3.198 20 30 GGEDRN N#CCCn1ccc(NC(=O)NCCOCc2ccc(Cl)cc2Cl)n1 ZINC000180487190 566066681 /nfs/dbraw/zinc/06/66/81/566066681.db2.gz LOHWSZVBONXFBW-UHFFFAOYSA-N 0 0 382.251 3.442 20 30 GGEDRN COCCN(C)c1ccc(CNc2cccc(C#N)c2Br)cn1 ZINC000416426533 566066840 /nfs/dbraw/zinc/06/68/40/566066840.db2.gz JURGKPJUNJINDR-UHFFFAOYSA-N 0 0 375.270 3.410 20 30 GGEDRN N#Cc1ccc(Br)cc1S(=O)(=O)N1CC=C(C(F)(F)F)CC1 ZINC000416436080 566068029 /nfs/dbraw/zinc/06/80/29/566068029.db2.gz BLQWPMNRRVQKBN-UHFFFAOYSA-N 0 0 395.200 3.204 20 30 GGEDRN N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000416434557 566068395 /nfs/dbraw/zinc/06/83/95/566068395.db2.gz VDEPAPYAZGAPIT-CQSZACIVSA-N 0 0 399.310 3.091 20 30 GGEDRN Cc1cccc(Cl)c1S(=O)(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000416437178 566068807 /nfs/dbraw/zinc/06/88/07/566068807.db2.gz GLCPROJTCYIKJK-QGZVFWFLSA-N 0 0 376.865 3.282 20 30 GGEDRN N#Cc1ccc(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)nc1 ZINC000180503358 566068832 /nfs/dbraw/zinc/06/88/32/566068832.db2.gz NQOBABQFAVZOSC-KRWDZBQOSA-N 0 0 385.265 3.491 20 30 GGEDRN N#Cc1ccc(NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)nc1 ZINC000180503376 566069155 /nfs/dbraw/zinc/06/91/55/566069155.db2.gz NQOBABQFAVZOSC-QGZVFWFLSA-N 0 0 385.265 3.491 20 30 GGEDRN Cc1noc(C)c1[C@H](C)CNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416445726 566069598 /nfs/dbraw/zinc/06/95/98/566069598.db2.gz MOAVKVZRRYOYJX-SECBINFHSA-N 0 0 398.282 3.008 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)N[C@@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000416454314 566069947 /nfs/dbraw/zinc/06/99/47/566069947.db2.gz IJYZPLIBYFUKDF-LYRGGWFBSA-N 0 0 387.908 3.224 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000288394974 566071533 /nfs/dbraw/zinc/07/15/33/566071533.db2.gz PXLYKQCNZKZGJB-IAGOWNOFSA-N 0 0 376.503 3.038 20 30 GGEDRN CN(Cc1cc(Br)ccc1F)C(=O)COc1ccccc1C#N ZINC000248056936 566071673 /nfs/dbraw/zinc/07/16/73/566071673.db2.gz OTWIBNXMPQIBGG-UHFFFAOYSA-N 0 0 377.213 3.497 20 30 GGEDRN CC1(C)CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)[C@H]1C#N ZINC000416469330 566071714 /nfs/dbraw/zinc/07/17/14/566071714.db2.gz JEDHUZGSYJPRCC-AWEZNQCLSA-N 0 0 382.283 3.024 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000416475633 566073036 /nfs/dbraw/zinc/07/30/36/566073036.db2.gz VDZXRHTZXMRPML-OTYXRUKQSA-N 0 0 375.263 3.261 20 30 GGEDRN C[C@@H](C#N)S(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000416478678 566073163 /nfs/dbraw/zinc/07/31/63/566073163.db2.gz CYNABNPFCVPBKG-FZMZJTMJSA-N 0 0 397.850 3.097 20 30 GGEDRN C[C@@H](C#N)S(=O)(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000416475632 566073244 /nfs/dbraw/zinc/07/32/44/566073244.db2.gz VDZXRHTZXMRPML-LKFCYVNXSA-N 0 0 375.263 3.261 20 30 GGEDRN C[C@@H](C#N)S(=O)(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000416480324 566074447 /nfs/dbraw/zinc/07/44/47/566074447.db2.gz QKHQNTCLXPTQOK-NHYWBVRUSA-N 0 0 376.400 3.005 20 30 GGEDRN CSC[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416491817 566075369 /nfs/dbraw/zinc/07/53/69/566075369.db2.gz ZZRSJKFEUIYINE-NSHDSACASA-N 0 0 389.340 3.084 20 30 GGEDRN Cc1cc(Br)ccc1CN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000180590112 566076041 /nfs/dbraw/zinc/07/60/41/566076041.db2.gz BDSRUFYZMLXKNW-AWEZNQCLSA-N 0 0 386.297 3.130 20 30 GGEDRN CC1(C)C[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCO1 ZINC000416500024 566076444 /nfs/dbraw/zinc/07/64/44/566076444.db2.gz AYCCGAXEYWXQFO-NSHDSACASA-N 0 0 376.400 3.061 20 30 GGEDRN Cc1c(Br)ccc2c1N(S(=O)(=O)c1ccc(C#N)nc1)CCC2 ZINC000416507974 566078860 /nfs/dbraw/zinc/07/88/60/566078860.db2.gz MVVVTRWLPVQNLC-UHFFFAOYSA-N 0 0 392.278 3.166 20 30 GGEDRN C[C@@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H](c2ccccc2)CO1 ZINC000248467254 566079704 /nfs/dbraw/zinc/07/97/04/566079704.db2.gz FBTMZZYRJHFZJP-CXAGYDPISA-N 0 0 376.865 3.362 20 30 GGEDRN CN(C)c1ccc(Br)c(S(=O)(=O)NC2(C#N)CCCCC2)c1 ZINC000180669741 566080248 /nfs/dbraw/zinc/08/02/48/566080248.db2.gz LPBFSZKWPDHXIE-UHFFFAOYSA-N 0 0 386.315 3.020 20 30 GGEDRN N#Cc1ncccc1S(=O)(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000365056784 566080624 /nfs/dbraw/zinc/08/06/24/566080624.db2.gz RUCGAQVXRWJQRY-KRWDZBQOSA-N 0 0 387.511 3.413 20 30 GGEDRN C=C(C)CN(C)C(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000180667322 566080654 /nfs/dbraw/zinc/08/06/54/566080654.db2.gz AAFBNIPRJOZPBW-UHFFFAOYSA-N 0 0 381.263 3.211 20 30 GGEDRN C=C(C)CN(C)C(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000180664083 566080887 /nfs/dbraw/zinc/08/08/87/566080887.db2.gz PYTPPPXTYPKCNE-UHFFFAOYSA-N 0 0 390.075 3.185 20 30 GGEDRN CCOc1ccc(S(=O)(=O)NCC(C)(C)CC#N)cc1Br ZINC000416527936 566081245 /nfs/dbraw/zinc/08/12/45/566081245.db2.gz HCVHLFGKYFOEDG-UHFFFAOYSA-N 0 0 375.288 3.066 20 30 GGEDRN CCOC(=O)c1cc2cc(S(=O)(=O)NCC(C)(C)CC#N)ccc2s1 ZINC000416534887 566082289 /nfs/dbraw/zinc/08/22/89/566082289.db2.gz YUPWCLIFJZRFIC-UHFFFAOYSA-N 0 0 380.491 3.296 20 30 GGEDRN COC(=O)c1nc([N-]S(=O)(=O)c2ccc(C#N)cc2C)sc1C(C)C ZINC000288636510 566083955 /nfs/dbraw/zinc/08/39/55/566083955.db2.gz SKJPOJBUNGLRDR-UHFFFAOYSA-N 0 0 379.463 3.034 20 30 GGEDRN CSC[C@](C)(C#N)NC(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000288648653 566084454 /nfs/dbraw/zinc/08/44/54/566084454.db2.gz AMRITJNEPCCLQE-XPTSAGLGSA-N 0 0 375.263 3.117 20 30 GGEDRN N#Cc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(Br)c1 ZINC000365126890 566084640 /nfs/dbraw/zinc/08/46/40/566084640.db2.gz UGQBHWKYDAOCCI-UHFFFAOYSA-N 0 0 390.241 3.263 20 30 GGEDRN Cc1sc(=O)n(CCC(=O)Nc2ccc(C#N)c(Br)c2)c1C ZINC000288662362 566085341 /nfs/dbraw/zinc/08/53/41/566085341.db2.gz AWCULXXRYKXYTL-UHFFFAOYSA-N 0 0 380.267 3.190 20 30 GGEDRN CCOC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000416553971 566085909 /nfs/dbraw/zinc/08/59/09/566085909.db2.gz VNMAGWZOWGTINM-CQSZACIVSA-N 0 0 376.400 3.157 20 30 GGEDRN CCOC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000416553368 566086018 /nfs/dbraw/zinc/08/60/18/566086018.db2.gz VNMAGWZOWGTINM-AWEZNQCLSA-N 0 0 376.400 3.157 20 30 GGEDRN CCOC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000416556047 566087310 /nfs/dbraw/zinc/08/73/10/566087310.db2.gz XTZHJHCAVCDJOR-ZDUSSCGKSA-N 0 0 376.400 3.157 20 30 GGEDRN C[C@@H](CN(C)S(=O)(=O)c1ccc(CC#N)cc1Cl)C(=O)OC(C)(C)C ZINC000416571525 566088383 /nfs/dbraw/zinc/08/83/83/566088383.db2.gz QCXQRIYDIGRKQK-LBPRGKRZSA-N 0 0 386.901 3.004 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](C)C(F)(F)F ZINC000288748384 566088709 /nfs/dbraw/zinc/08/87/09/566088709.db2.gz YVSNNGKHUZOJRH-QMMMGPOBSA-N 0 0 395.175 3.165 20 30 GGEDRN C=CCNc1ncc(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)s1 ZINC000288762602 566090006 /nfs/dbraw/zinc/09/00/06/566090006.db2.gz WZNSFZFQPISKGW-LBPRGKRZSA-N 0 0 379.507 3.026 20 30 GGEDRN CN([C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)S(=O)(=O)c1ccccc1C#N ZINC000248834878 566090071 /nfs/dbraw/zinc/09/00/71/566090071.db2.gz CNYHKXAVTPTVRK-WBVHZDCISA-N 0 0 397.283 3.144 20 30 GGEDRN CC(C)(CC#N)CS(=O)(=O)NCc1cccc(Br)c1Cl ZINC000416579791 566090455 /nfs/dbraw/zinc/09/04/55/566090455.db2.gz ORZMDZFDXOVWQP-UHFFFAOYSA-N 0 0 379.707 3.462 20 30 GGEDRN CO[C@@](C)([C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000416582900 566090461 /nfs/dbraw/zinc/09/04/61/566090461.db2.gz FDRCXAUMAZCCIK-BMIGLBTASA-N 0 0 376.400 3.059 20 30 GGEDRN C[C@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)CC(F)(F)F ZINC000416590392 566091380 /nfs/dbraw/zinc/09/13/80/566091380.db2.gz BQBZXFJXEQTEGK-QMMMGPOBSA-N 0 0 385.205 3.188 20 30 GGEDRN C[C@@H](C(=O)OC(C)(C)C)N(C1CC1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000416588087 566091736 /nfs/dbraw/zinc/09/17/36/566091736.db2.gz QCRMFAJELJHIAT-NSHDSACASA-N 0 0 384.885 3.095 20 30 GGEDRN CC(C)(CC#N)CS(=O)(=O)NCc1cc(Cl)cc(Br)c1 ZINC000416597459 566092300 /nfs/dbraw/zinc/09/23/00/566092300.db2.gz NZXRVFMROYWSRX-UHFFFAOYSA-N 0 0 379.707 3.462 20 30 GGEDRN C[C@H](C(=O)OC(C)(C)C)N(C1CC1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000416594070 566092620 /nfs/dbraw/zinc/09/26/20/566092620.db2.gz WDYVPLHLNNGROM-LLVKDONJSA-N 0 0 384.885 3.095 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[C@H]1CCO[C@@H](C)C1 ZINC000288827250 566093554 /nfs/dbraw/zinc/09/35/54/566093554.db2.gz ISVYSYJEPHXDJT-KBPBESRZSA-N 0 0 384.929 3.238 20 30 GGEDRN Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)no1 ZINC000365299847 566093602 /nfs/dbraw/zinc/09/36/02/566093602.db2.gz QNVKEWWZKKPJEB-OAHLLOKOSA-N 0 0 396.266 3.143 20 30 GGEDRN C=C(C)COCCNS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000180846377 566093808 /nfs/dbraw/zinc/09/38/08/566093808.db2.gz NKINIQGIBIKNAF-UHFFFAOYSA-N 0 0 382.707 3.115 20 30 GGEDRN CC[C@@](C)(C#N)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000288859207 566094452 /nfs/dbraw/zinc/09/44/52/566094452.db2.gz KXZQGVWKYBFTHD-KRWDZBQOSA-N 0 0 383.901 3.393 20 30 GGEDRN C=CCCC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000180847544 566094484 /nfs/dbraw/zinc/09/44/84/566094484.db2.gz SVHPKJLELGEBGM-LBPRGKRZSA-N 0 0 378.416 3.002 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)CCc1cc(Cl)cs1 ZINC000180847256 566094673 /nfs/dbraw/zinc/09/46/73/566094673.db2.gz LOPAGPMAAIUBTJ-UHFFFAOYSA-N 0 0 380.857 3.260 20 30 GGEDRN C[C@@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)CC(F)(F)F ZINC000416607529 566095018 /nfs/dbraw/zinc/09/50/18/566095018.db2.gz PUOJZVVBVOJCTL-MRVPVSSYSA-N 0 0 385.205 3.188 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2scc(C)c2C#N)cc1 ZINC000288899994 566095699 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ZINC000365432878 566100943 /nfs/dbraw/zinc/10/09/43/566100943.db2.gz OMRINSCKPPDJGX-UHFFFAOYSA-N 0 0 376.869 3.492 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(I)c1 ZINC000180947287 566101277 /nfs/dbraw/zinc/10/12/77/566101277.db2.gz HLOIKNRBKAESLF-LLVKDONJSA-N 0 0 386.233 3.091 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccc(Br)c1COC ZINC000180934814 566101648 /nfs/dbraw/zinc/10/16/48/566101648.db2.gz SSSICEJSFGZANC-LBPRGKRZSA-N 0 0 383.286 3.395 20 30 GGEDRN C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000289028730 566101930 /nfs/dbraw/zinc/10/19/30/566101930.db2.gz BXMVCLNMTMEQNL-VIFPVBQESA-N 0 0 375.397 3.214 20 30 GGEDRN N#Cc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1ccc(Br)o1 ZINC000416664133 566101955 /nfs/dbraw/zinc/10/19/55/566101955.db2.gz RULGSVGYVRUIAZ-ZDUSSCGKSA-N 0 0 381.251 3.270 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000289023905 566102320 /nfs/dbraw/zinc/10/23/20/566102320.db2.gz BQCFGIYJCJARIJ-MSOLQXFVSA-N 0 0 376.865 3.161 20 30 GGEDRN 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C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@](C)(OC)C1 ZINC000508939634 566252166 /nfs/dbraw/zinc/25/21/66/566252166.db2.gz UBEGEPFUSMHCEH-INIZCTEOSA-N 0 0 380.290 3.227 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](OC)[C@@H](OC)C1 ZINC000508953641 566252414 /nfs/dbraw/zinc/25/24/14/566252414.db2.gz VMQQLEIKMDQYLT-GJZGRUSLSA-N 0 0 383.279 3.288 20 30 GGEDRN C=CCC[C@@H]1NC(=O)N(Cc2cc(Br)ccc2OC(F)F)C1=O ZINC000419931822 566252737 /nfs/dbraw/zinc/25/27/37/566252737.db2.gz DCQAZHWINGJBLM-NSHDSACASA-N 0 0 389.196 3.437 20 30 GGEDRN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)c1cccc(C#N)c1 ZINC000481785829 566252800 /nfs/dbraw/zinc/25/28/00/566252800.db2.gz UYPGXUSEFFADKO-UHFFFAOYSA-N 0 0 396.248 3.174 20 30 GGEDRN C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C)C1 ZINC000508985472 566253491 /nfs/dbraw/zinc/25/34/91/566253491.db2.gz GIFUKAYBCVZLDB-NSHDSACASA-N 0 0 381.249 3.258 20 30 GGEDRN C=CCC[C@@H]1NC(=O)N([C@@H](C)[C@H](OC)c2ccc(Br)cc2)C1=O ZINC000419938726 566253612 /nfs/dbraw/zinc/25/36/12/566253612.db2.gz 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CSC[C@@](C)(C#N)NC(=O)c1cc(I)cc(C)c1C ZINC000561843198 566743336 /nfs/dbraw/zinc/74/33/36/566743336.db2.gz URTBRCKYHLMROP-CQSZACIVSA-N 0 0 388.274 3.283 20 30 GGEDRN N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CN(c3ccc(Br)cc3)C2=O)c1 ZINC000488733046 566744357 /nfs/dbraw/zinc/74/43/57/566744357.db2.gz LDVOGJLPUZWPAJ-CQSZACIVSA-N 0 0 387.193 3.056 20 30 GGEDRN COc1ccc([C@@H](CO)N(C)Cc2ccc(Br)cc2C#N)cc1 ZINC000561866401 566744860 /nfs/dbraw/zinc/74/48/60/566744860.db2.gz WLCKHCOHFCSSRS-GOSISDBHSA-N 0 0 375.266 3.495 20 30 GGEDRN N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CN(c3ccc(Br)cc3)C2=O)c1 ZINC000488733044 566744756 /nfs/dbraw/zinc/74/47/56/566744756.db2.gz LDVOGJLPUZWPAJ-AWEZNQCLSA-N 0 0 387.193 3.056 20 30 GGEDRN C[C@@](C#N)(NC(=O)CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000608975981 566745320 /nfs/dbraw/zinc/74/53/20/566745320.db2.gz GSSIATDKLIFNKL-WMZOPIPTSA-N 0 0 382.291 3.175 20 30 GGEDRN CC(C)[C@@H](C#N)NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000468938242 566745510 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CC(C)(C#N)c1ccc(NC(=O)NCc2ccc(S(C)(=O)=O)s2)cc1 ZINC000468986349 566750594 /nfs/dbraw/zinc/75/05/94/566750594.db2.gz MPGMGOWBZUKULQ-UHFFFAOYSA-N 0 0 377.491 3.274 20 30 GGEDRN Cc1nc(C)c(C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)o1 ZINC000488821839 566750702 /nfs/dbraw/zinc/75/07/02/566750702.db2.gz KMIXNHHYIRLPOE-UHFFFAOYSA-N 0 0 386.205 3.123 20 30 GGEDRN C=C[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000488854060 566751671 /nfs/dbraw/zinc/75/16/71/566751671.db2.gz MFCDGASCKSCEGI-KBPBESRZSA-N 0 0 377.282 3.369 20 30 GGEDRN CN(CCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1F)CC(F)(F)F ZINC000488848946 566752003 /nfs/dbraw/zinc/75/20/03/566752003.db2.gz CITZNGNBBFVSAK-UHFFFAOYSA-N 0 0 396.328 3.007 20 30 GGEDRN C=C[C@H]1CCCCN1C(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000488851847 566752222 /nfs/dbraw/zinc/75/22/22/566752222.db2.gz ISSLFFWIQOTVFF-ZDUSSCGKSA-N 0 0 383.261 3.275 20 30 GGEDRN C=C[C@H]1CCCCN1C(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000488847935 566752486 /nfs/dbraw/zinc/75/24/86/566752486.db2.gz 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381.260 3.474 20 30 GGEDRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)NC(C)(C)C#N)C1 ZINC000541900830 566757519 /nfs/dbraw/zinc/75/75/19/566757519.db2.gz ZKEHLVWCHLBOOH-CYBMUJFWSA-N 0 0 392.297 3.028 20 30 GGEDRN C=CCn1c(COCC)nnc1N1CCc2c(Br)ccc(F)c2C1 ZINC000562027269 566757776 /nfs/dbraw/zinc/75/77/76/566757776.db2.gz FFANFROEJYCNRI-UHFFFAOYSA-N 0 0 395.276 3.465 20 30 GGEDRN CC(C)(CO)[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000581219328 566758863 /nfs/dbraw/zinc/75/88/63/566758863.db2.gz ZKVQNWMEEWKWAD-KRWDZBQOSA-N 0 0 378.881 3.250 20 30 GGEDRN N#CCN1CCC(NC(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000609330254 566758993 /nfs/dbraw/zinc/75/89/93/566758993.db2.gz MZNDOLMNEHMNNO-UHFFFAOYSA-N 0 0 378.314 3.266 20 30 GGEDRN N#CCN1CCC(NC(=O)CCSc2ccc(Br)cc2)CC1 ZINC000609328764 566759040 /nfs/dbraw/zinc/75/90/40/566759040.db2.gz SPBFXARLHIMVSJ-UHFFFAOYSA-N 0 0 382.327 3.035 20 30 GGEDRN Cc1c2cc(Br)ccc2oc1C(=O)NC1CCN(CC#N)CC1 ZINC000609329532 566759165 /nfs/dbraw/zinc/75/91/65/566759165.db2.gz 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C=CCN(C)C(=O)c1nnn(Cc2cccc(Br)c2)c1CCC ZINC000490068641 566828440 /nfs/dbraw/zinc/82/84/40/566828440.db2.gz ADKYOFCKWCMRLW-UHFFFAOYSA-N 0 0 377.286 3.299 20 30 GGEDRN Cc1cc(NC(=O)CNC(=O)c2ccc(C#N)cc2)c(F)cc1Br ZINC000490064428 566828732 /nfs/dbraw/zinc/82/87/32/566828732.db2.gz SZPFSKIQRKQHPH-UHFFFAOYSA-N 0 0 390.212 3.137 20 30 GGEDRN CC(C)N(Cc1cccc(Br)c1)S(=O)(=O)c1cccnc1C#N ZINC000428267402 566828911 /nfs/dbraw/zinc/82/89/11/566828911.db2.gz WFHXFKJARSUBBL-UHFFFAOYSA-N 0 0 394.294 3.315 20 30 GGEDRN C=CCC1(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CCCC1 ZINC000451506389 566829136 /nfs/dbraw/zinc/82/91/36/566829136.db2.gz VQBAIIMMIFPMOO-UHFFFAOYSA-N 0 0 388.892 3.010 20 30 GGEDRN Cc1csc([C@H]2CN(C(=O)c3cccc(C#N)c3Br)CCO2)n1 ZINC000451504488 566829382 /nfs/dbraw/zinc/82/93/82/566829382.db2.gz SRXQUYJEQWDZTD-CYBMUJFWSA-N 0 0 392.278 3.299 20 30 GGEDRN CC(C)(CC#N)CS(=O)(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000451508549 566829867 /nfs/dbraw/zinc/82/98/67/566829867.db2.gz 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/nfs/dbraw/zinc/83/15/63/566831563.db2.gz FHGYSEQFHFRCGR-UHFFFAOYSA-N 0 0 395.640 3.345 20 30 GGEDRN O=C(NCC#Cc1ccccc1)C(=O)Nc1ccc(Br)cc1Cl ZINC000490113167 566831743 /nfs/dbraw/zinc/83/17/43/566831743.db2.gz KGBHUWBGXFWEMF-UHFFFAOYSA-N 0 0 391.652 3.209 20 30 GGEDRN N#CCC1CCN(c2ncnc3ccc(I)cc32)CC1 ZINC000542864263 566832954 /nfs/dbraw/zinc/83/29/54/566832954.db2.gz RZKOPCVCKSFJGT-UHFFFAOYSA-N 0 0 378.217 3.364 20 30 GGEDRN COC(=O)[C@]12CN(C(=O)c3cccc(C#N)c3Br)C[C@H]1CCCC2 ZINC000451530047 566833096 /nfs/dbraw/zinc/83/30/96/566833096.db2.gz GEHDAWWTHCXXMV-FZKQIMNGSA-N 0 0 391.265 3.126 20 30 GGEDRN CC[C@@H](COCC(F)(F)F)NC(=O)NCc1c(F)c(F)cc(F)c1F ZINC000655667985 566833346 /nfs/dbraw/zinc/83/33/46/566833346.db2.gz VYNZCYVKXPNSHE-ZETCQYMHSA-N 0 0 376.272 3.400 20 30 GGEDRN N#CCC1(CS(=O)(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000451527519 566833457 /nfs/dbraw/zinc/83/34/57/566833457.db2.gz FFXKXZPENFGIGM-KRWDZBQOSA-N 0 0 382.913 3.421 20 30 GGEDRN N#Cc1c(F)cccc1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000490144218 566833465 /nfs/dbraw/zinc/83/34/65/566833465.db2.gz GHFFQVOTRAGMBD-UHFFFAOYSA-N 0 0 375.197 3.325 20 30 GGEDRN CC(C)(C#N)CNC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000490173242 566833597 /nfs/dbraw/zinc/83/35/97/566833597.db2.gz UFHUQSOUDQEQKO-UHFFFAOYSA-N 0 0 376.201 3.399 20 30 GGEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cn1cc(Br)cn1 ZINC000517602834 566833907 /nfs/dbraw/zinc/83/39/07/566833907.db2.gz PIJMILIIYAAKKH-UHFFFAOYSA-N 0 0 380.290 3.028 20 30 GGEDRN N#CCC1(CS(=O)(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000451527520 566834322 /nfs/dbraw/zinc/83/43/22/566834322.db2.gz FFXKXZPENFGIGM-QGZVFWFLSA-N 0 0 382.913 3.421 20 30 GGEDRN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC(CC#N)CC1 ZINC000542883892 566834719 /nfs/dbraw/zinc/83/47/19/566834719.db2.gz QMNYERGUGLUVRU-UHFFFAOYSA-N 0 0 384.263 3.344 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC12CCC2 ZINC000610484783 566835123 /nfs/dbraw/zinc/83/51/23/566835123.db2.gz ZQKFYRWVLMSHPN-UHFFFAOYSA-N 0 0 379.254 3.253 20 30 GGEDRN N#CC1(CNC(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000582158688 566835383 /nfs/dbraw/zinc/83/53/83/566835383.db2.gz UWNVBHGSTXEBFE-UHFFFAOYSA-N 0 0 376.766 3.126 20 30 GGEDRN COCCC[C@@H](CNS(=O)(=O)CC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000451539590 566835826 /nfs/dbraw/zinc/83/58/26/566835826.db2.gz XCHADHXREGMJCZ-INIZCTEOSA-N 0 0 384.929 3.463 20 30 GGEDRN COCCN(CCC#N)C(=O)CSc1nc(C)nc2sc(C)c(C)c21 ZINC000610492069 566836052 /nfs/dbraw/zinc/83/60/52/566836052.db2.gz PTVLOFBQNGJLPI-UHFFFAOYSA-N 0 0 378.523 3.097 20 30 GGEDRN Cc1cccc2c1CN(S(=O)(=O)c1cc(Br)cc(C#N)c1)CC2 ZINC000428380051 566836456 /nfs/dbraw/zinc/83/64/56/566836456.db2.gz KSKPDGVWCIYYOQ-UHFFFAOYSA-N 0 0 391.290 3.376 20 30 GGEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000610496623 566836624 /nfs/dbraw/zinc/83/66/24/566836624.db2.gz GKKAOWGWDZFCJD-AFAVFJNCSA-N 0 0 382.291 3.175 20 30 GGEDRN N#Cc1cncc(S(=O)(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)c1 ZINC000517630798 566836563 /nfs/dbraw/zinc/83/65/63/566836563.db2.gz LGHJKSHNZDZVAP-UHFFFAOYSA-N 0 0 390.877 3.209 20 30 GGEDRN CN1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1Cc1ccccc1 ZINC000451554236 566837156 /nfs/dbraw/zinc/83/71/56/566837156.db2.gz DPMBXCHKIZDGHV-KRWDZBQOSA-N 0 0 398.304 3.320 20 30 GGEDRN C[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCC1(F)F ZINC000451561760 566837237 /nfs/dbraw/zinc/83/72/37/566837237.db2.gz HILXJEMNGXOFKW-MRVPVSSYSA-N 0 0 397.216 3.126 20 30 GGEDRN CN1CCN(C(=O)c2cccc(C#N)c2Br)C[C@H]1Cc1ccccc1 ZINC000451554245 566838026 /nfs/dbraw/zinc/83/80/26/566838026.db2.gz DPMBXCHKIZDGHV-QGZVFWFLSA-N 0 0 398.304 3.320 20 30 GGEDRN CCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H](C)C(F)(F)F ZINC000451560826 566838233 /nfs/dbraw/zinc/83/82/33/566838233.db2.gz BCSQPMBXSYPFND-SECBINFHSA-N 0 0 379.176 3.499 20 30 GGEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000610502423 566838353 /nfs/dbraw/zinc/83/83/53/566838353.db2.gz YTCRXKHLIJUJJT-QGZVFWFLSA-N 0 0 378.314 3.074 20 30 GGEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000610497098 566838841 /nfs/dbraw/zinc/83/88/41/566838841.db2.gz NWHLALATEZKUDM-RCBQFDQVSA-N 0 0 380.275 3.406 20 30 GGEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000610496626 566838971 /nfs/dbraw/zinc/83/89/71/566838971.db2.gz GKKAOWGWDZFCJD-ZLIFDBKOSA-N 0 0 382.291 3.175 20 30 GGEDRN N#Cc1ccc([C@@H](C(N)=O)N2CC[C@H](c3cccc(Br)c3)C2)cc1 ZINC000451565797 566839290 /nfs/dbraw/zinc/83/92/90/566839290.db2.gz IGUYVMGNLAGOMK-WMZOPIPTSA-N 0 0 384.277 3.337 20 30 GGEDRN C[C@](C#N)(NC(=O)CN1CC[C@@H](c2cccc(Br)c2)C1)C1CC1 ZINC000451565839 566839440 /nfs/dbraw/zinc/83/94/40/566839440.db2.gz IMYVRCSNVFDDKL-RDTXWAMCSA-N 0 0 376.298 3.047 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](c2cccc(Br)c2)C1 ZINC000451568187 566839481 /nfs/dbraw/zinc/83/94/81/566839481.db2.gz MQSZHTHMUNLNBC-ZBFHGGJFSA-N 0 0 378.314 3.247 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(c2ncccc2Cl)CC1 ZINC000428404964 566839593 /nfs/dbraw/zinc/83/95/93/566839593.db2.gz MKQSYEIGYKLLBD-UHFFFAOYSA-N 0 0 375.881 3.483 20 30 GGEDRN CC(C)(CC#N)CS(=O)(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000451564801 566839818 /nfs/dbraw/zinc/83/98/18/566839818.db2.gz KYEZLHYJRSZZGV-UHFFFAOYSA-N 0 0 398.326 3.332 20 30 GGEDRN C[C@](C#N)(NC(=O)CN1CC[C@H](c2cccc(Br)c2)C1)C1CC1 ZINC000451565836 566839989 /nfs/dbraw/zinc/83/99/89/566839989.db2.gz IMYVRCSNVFDDKL-KBXCAEBGSA-N 0 0 376.298 3.047 20 30 GGEDRN CCN(C(=O)COc1cccc(Br)c1C#N)[C@@H](C)C(F)(F)F ZINC000451563761 566840028 /nfs/dbraw/zinc/84/00/28/566840028.db2.gz FIABSIUXYNTETD-VIFPVBQESA-N 0 0 379.176 3.499 20 30 GGEDRN C=CCn1c(-c2cc(Br)cn2C)nnc1N(CC)C[C@@H]1CCCO1 ZINC000582210028 566840312 /nfs/dbraw/zinc/84/03/12/566840312.db2.gz UDVZAHMQGFYBQT-AWEZNQCLSA-N 0 0 394.317 3.237 20 30 GGEDRN C=C(C)CN(C)S(=O)(=O)c1scc(Br)c1Br ZINC000679200559 566840565 /nfs/dbraw/zinc/84/05/65/566840565.db2.gz QOCSHPFVFMHRFV-UHFFFAOYSA-N 0 0 389.134 3.470 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000490264949 566840513 /nfs/dbraw/zinc/84/05/13/566840513.db2.gz YQUBXFULHVLSRO-UHFFFAOYSA-N 0 0 382.869 3.175 20 30 GGEDRN C[C@H](NS(=O)(=O)c1ccc(CC#N)cc1Cl)[C@H]1OCCc2sccc21 ZINC000451572425 566840820 /nfs/dbraw/zinc/84/08/20/566840820.db2.gz FYFKFYSFYHVBER-APPDUMDISA-N 0 0 396.921 3.448 20 30 GGEDRN CC1(C)CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@H](C(F)(F)F)O1 ZINC000451572438 566841236 /nfs/dbraw/zinc/84/12/36/566841236.db2.gz GDMMPHBNIZONFH-CYBMUJFWSA-N 0 0 396.818 3.136 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](NCc3ncc(Br)s3)C2=O)cc1 ZINC000542947356 566841523 /nfs/dbraw/zinc/84/15/23/566841523.db2.gz AYOLCALWMFQQNE-ZDUSSCGKSA-N 0 0 391.294 3.062 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H](c2cccc(Br)c2)C1 ZINC000451569078 566841512 /nfs/dbraw/zinc/84/15/12/566841512.db2.gz NOJWENYPEUBPMI-YJBOKZPZSA-N 0 0 378.314 3.293 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451569076 566841980 /nfs/dbraw/zinc/84/19/80/566841980.db2.gz NOJWENYPEUBPMI-QAPCUYQASA-N 0 0 378.314 3.293 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1Cl)[C@@H]1OCCc2sccc21 ZINC000451572426 566842239 /nfs/dbraw/zinc/84/22/39/566842239.db2.gz FYFKFYSFYHVBER-DIFFPNOSSA-N 0 0 396.921 3.448 20 30 GGEDRN CC[C@H](NS(=O)(=O)c1cccnc1C#N)c1cc(F)cc(Br)c1 ZINC000428423185 566842834 /nfs/dbraw/zinc/84/28/34/566842834.db2.gz OEOKMRNXRLSSOR-ZDUSSCGKSA-N 0 0 398.257 3.284 20 30 GGEDRN CCOC(=O)c1sc(CNC(=O)Nc2ccc(C#N)c(Cl)c2)nc1C ZINC000610557115 566843000 /nfs/dbraw/zinc/84/30/00/566843000.db2.gz MQXJPSIWAVSZOZ-UHFFFAOYSA-N 0 0 378.841 3.475 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)c3cc(Br)c[nH]3)CC2)c(Cl)c1 ZINC000517726299 566844235 /nfs/dbraw/zinc/84/42/35/566844235.db2.gz YVUMNRHMOUMLKV-UHFFFAOYSA-N 0 0 393.672 3.265 20 30 GGEDRN CCc1ccc(-c2csc(NC(=O)C(=O)N(CC)C[C@@H](C)C#N)n2)s1 ZINC000582245449 566844573 /nfs/dbraw/zinc/84/45/73/566844573.db2.gz LEVFWOQWRVYQQF-NSHDSACASA-N 0 0 376.507 3.381 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c(F)c1 ZINC000610589289 566844707 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CC(C)(CC#N)CS(=O)(=O)N1CCc2c(F)ccc(Br)c2C1 ZINC000451591956 566846400 /nfs/dbraw/zinc/84/64/00/566846400.db2.gz PFSPQQIPHODZJR-UHFFFAOYSA-N 0 0 389.290 3.216 20 30 GGEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCn1cc(Br)cn1 ZINC000610598753 566846661 /nfs/dbraw/zinc/84/66/61/566846661.db2.gz HHOQNCIIRPCCEP-SJORKVTESA-N 0 0 387.281 3.334 20 30 GGEDRN C[C@H](C#N)C(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1 ZINC000470104442 566846645 /nfs/dbraw/zinc/84/66/45/566846645.db2.gz KZGKAZKYJXPPDF-SECBINFHSA-N 0 0 392.278 3.304 20 30 GGEDRN C=CC[C@@H](CC)NC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000543069707 566848530 /nfs/dbraw/zinc/84/85/30/566848530.db2.gz QOSSLYAJUUOKLU-MRXNPFEDSA-N 0 0 396.329 3.440 20 30 GGEDRN CC(C)(C)[C@H](C#N)NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000582301793 566848805 /nfs/dbraw/zinc/84/88/05/566848805.db2.gz WBTWRWRHTMSAAK-LBPRGKRZSA-N 0 0 379.707 3.460 20 30 GGEDRN C=CCOc1c(Br)cc(CN2CC[C@@H](C(=O)OC)[C@@H]2C)cc1OC ZINC000470148162 566849740 /nfs/dbraw/zinc/84/97/40/566849740.db2.gz 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CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCc2c(F)cc(Br)cc2C1 ZINC000610729161 566857550 /nfs/dbraw/zinc/85/75/50/566857550.db2.gz UWODEGPWBWWOFD-KZULUSFZSA-N 0 0 396.304 3.389 20 30 GGEDRN N#CCCCNC(=O)c1cccc(Br)c1I ZINC000543156227 566857437 /nfs/dbraw/zinc/85/74/37/566857437.db2.gz LOOJHFAMPBLXAS-UHFFFAOYSA-N 0 0 393.022 3.087 20 30 GGEDRN Cc1cccc(CCCNC(=O)COc2ccc(C#N)c(Br)c2)n1 ZINC000451655335 566857497 /nfs/dbraw/zinc/85/74/97/566857497.db2.gz RVUJZHGIBWTKOU-UHFFFAOYSA-N 0 0 388.265 3.152 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCc2c(F)cc(Br)cc2C1 ZINC000610729160 566857735 /nfs/dbraw/zinc/85/77/35/566857735.db2.gz UWODEGPWBWWOFD-KPZWWZAWSA-N 0 0 396.304 3.389 20 30 GGEDRN N#Cc1ccc(OCC(=O)N2CCc3c(F)cc(Br)cc3C2)cc1 ZINC000610728135 566857816 /nfs/dbraw/zinc/85/78/16/566857816.db2.gz ZJMRAHOWNOZTHH-UHFFFAOYSA-N 0 0 389.224 3.424 20 30 GGEDRN CC[C@@H](COCC(F)(F)F)NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000451656253 566857812 /nfs/dbraw/zinc/85/78/12/566857812.db2.gz SQGGXXFRYGNHLY-VIFPVBQESA-N 0 0 397.312 3.480 20 30 GGEDRN Cc1nc(C)c([C@H](C)N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)s1 ZINC000490493109 566858242 /nfs/dbraw/zinc/85/82/42/566858242.db2.gz TXHDZXJJVYVNOA-JTQLQIEISA-N 0 0 376.869 3.443 20 30 GGEDRN Cc1cc(Br)c2c(c1)CN(Cc1cnc3c(C#N)cnn3c1)CC2 ZINC000563149372 566859324 /nfs/dbraw/zinc/85/93/24/566859324.db2.gz IXIDBFNZTCANCJ-UHFFFAOYSA-N 0 0 382.265 3.230 20 30 GGEDRN N#CC1(F)CCN(C(=O)c2ccccc2-n2cc(Br)cn2)CC1 ZINC000451665321 566859468 /nfs/dbraw/zinc/85/94/68/566859468.db2.gz DRQBOUAEEOEGKC-UHFFFAOYSA-N 0 0 377.217 3.103 20 30 GGEDRN C[C@H](NC(=O)C1(C#N)CCCC1)c1ccc(Br)cc1OCCCO ZINC000428584355 566859723 /nfs/dbraw/zinc/85/97/23/566859723.db2.gz VEQAAZOYENYGQS-ZDUSSCGKSA-N 0 0 395.297 3.471 20 30 GGEDRN N#Cc1ccnc(N2CCc3c(F)cc(Br)cc3C2)c1[N+](=O)[O-] ZINC000610755429 566859712 /nfs/dbraw/zinc/85/97/12/566859712.db2.gz DFCHQSSPUBJDCF-UHFFFAOYSA-N 0 0 377.173 3.326 20 30 GGEDRN N#CCCN(CCC#N)C(=O)CN(c1ccc(Br)cc1)C1CC1 ZINC000451674782 566860709 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N#Cc1cccc(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)c1 ZINC000470321338 566863415 /nfs/dbraw/zinc/86/34/15/566863415.db2.gz UGIWHXQXGWKQIS-UHFFFAOYSA-N 0 0 381.233 3.436 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@H]1OCCc2sccc21 ZINC000490579604 566866169 /nfs/dbraw/zinc/86/61/69/566866169.db2.gz NFMYFHGLRFRYSO-QLJPJBMISA-N 0 0 382.894 3.254 20 30 GGEDRN N#Cc1cc2c(nc1NC[C@H](CO)Cc1ccc(Br)cc1)CCC2 ZINC000428660584 566866252 /nfs/dbraw/zinc/86/62/52/566866252.db2.gz CMQJQFCQKQUNOY-CQSZACIVSA-N 0 0 386.293 3.468 20 30 GGEDRN N#Cc1cc2c(nc1NC[C@@H](CO)Cc1ccc(Br)cc1)CCC2 ZINC000428660583 566866790 /nfs/dbraw/zinc/86/67/90/566866790.db2.gz CMQJQFCQKQUNOY-AWEZNQCLSA-N 0 0 386.293 3.468 20 30 GGEDRN N#Cc1cc(NC[C@@H](CO)Cc2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000428675577 566868202 /nfs/dbraw/zinc/86/82/02/566868202.db2.gz VXXXXFVZVGGQPI-ZDUSSCGKSA-N 0 0 390.237 3.492 20 30 GGEDRN N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000428671611 566868206 /nfs/dbraw/zinc/86/82/06/566868206.db2.gz VKDSRCTZCNYQHN-ZDUSSCGKSA-N 0 0 390.237 3.492 20 30 GGEDRN COCC[C@@](C)(C#N)NC(=O)CCOc1ccc(Cl)cc1Br ZINC000563260904 566868251 /nfs/dbraw/zinc/86/82/51/566868251.db2.gz HWWAJGXOQNJXMT-HNNXBMFYSA-N 0 0 389.677 3.306 20 30 GGEDRN CC[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000582507900 566868323 /nfs/dbraw/zinc/86/83/23/566868323.db2.gz DEBUZJVFXDWECP-KRWDZBQOSA-N 0 0 378.881 3.489 20 30 GGEDRN C=CCNC(=O)c1ccc(N(C)Cc2cc(OC)ccc2Br)nc1 ZINC000428670402 566868427 /nfs/dbraw/zinc/86/84/27/566868427.db2.gz CRQDZDYDNLJBNB-UHFFFAOYSA-N 0 0 390.281 3.405 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000470431246 566870379 /nfs/dbraw/zinc/87/03/79/566870379.db2.gz VUSMTYHHMBOYAP-MAUKXSAKSA-N 0 0 381.314 3.373 20 30 GGEDRN N#Cc1ccc(NC(=O)NC[C@H](CO)Cc2ccccc2Br)cc1 ZINC000428693633 566871038 /nfs/dbraw/zinc/87/10/38/566871038.db2.gz QQKBAZKLMXZROW-CQSZACIVSA-N 0 0 388.265 3.293 20 30 GGEDRN N#Cc1c(NC[C@H](CO)Cc2ccc(Br)cc2)nc2ccccn12 ZINC000428693438 566871372 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N#Cc1ccc(O[C@@H]2CCN(Cc3ccc(C#N)cc3Br)C2)nc1 ZINC000428784498 566877107 /nfs/dbraw/zinc/87/71/07/566877107.db2.gz SWGWYMKBLGCNAS-MRXNPFEDSA-N 0 0 383.249 3.241 20 30 GGEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1C1CC1 ZINC000582585757 566877322 /nfs/dbraw/zinc/87/73/22/566877322.db2.gz NEADAUUYTFZRKY-UHFFFAOYSA-N 0 0 392.933 3.078 20 30 GGEDRN N#C[C@@H](NC(=O)CNC(=O)c1c(F)cccc1Cl)c1ccc(Cl)cc1 ZINC000470492936 566878434 /nfs/dbraw/zinc/87/84/34/566878434.db2.gz HMJKSUZUCVUACT-CQSZACIVSA-N 0 0 380.206 3.243 20 30 GGEDRN N#CC1(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)CC1 ZINC000543414553 566878563 /nfs/dbraw/zinc/87/85/63/566878563.db2.gz WWZNXSIPFNBWBY-UHFFFAOYSA-N 0 0 383.189 3.050 20 30 GGEDRN COc1ccc(S(=O)(=O)N2CCC(CCC#N)CC2)c(Br)c1 ZINC000518368904 566878976 /nfs/dbraw/zinc/87/89/76/566878976.db2.gz NNIKUGYFSIGSQV-UHFFFAOYSA-N 0 0 387.299 3.162 20 30 GGEDRN N#CCCn1ncc(C(=O)Nc2ccncc2Br)c1-c1ccccc1 ZINC000428796126 566879285 /nfs/dbraw/zinc/87/92/85/566879285.db2.gz 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C[C@@H](NC(=O)Cn1cc(Br)cc(C#N)c1=O)c1ccccc1Cl ZINC000564391280 566970567 /nfs/dbraw/zinc/97/05/67/566970567.db2.gz ZYHKRFRFCACQLJ-SNVBAGLBSA-N 0 0 394.656 3.013 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)N=c1cc2ccc(Br)cn2[nH]1 ZINC000429968984 566970736 /nfs/dbraw/zinc/97/07/36/566970736.db2.gz NHWQRUTWZMLTKT-UHFFFAOYSA-N 0 0 384.237 3.054 20 30 GGEDRN N#Cc1cc(S(=O)(=O)N[C@@H](CO)c2cccc(Cl)c2F)ccc1Cl ZINC000544595786 566971421 /nfs/dbraw/zinc/97/14/21/566971421.db2.gz FDYNBFCPCWZMQM-AWEZNQCLSA-N 0 0 389.235 3.016 20 30 GGEDRN CSCC[C@](C)(C#N)NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000583657948 566971618 /nfs/dbraw/zinc/97/16/18/566971618.db2.gz HWHGNBUWUQLRDY-MRXNPFEDSA-N 0 0 394.547 3.151 20 30 GGEDRN C=CCCCCNC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000471703280 566972422 /nfs/dbraw/zinc/97/24/22/566972422.db2.gz TUPJHCNYSUKLDV-UHFFFAOYSA-N 0 0 388.327 3.474 20 30 GGEDRN C=CCCCCNC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000471701918 566973231 /nfs/dbraw/zinc/97/32/31/566973231.db2.gz KUUCEDWTHJWTBT-UHFFFAOYSA-N 0 0 388.327 3.476 20 30 GGEDRN Cc1nn(C)c(CN(C)CCOCc2ccc(C#N)cc2)c1Br ZINC000519846650 566973760 /nfs/dbraw/zinc/97/37/60/566973760.db2.gz IJRBFALXXJNLOH-UHFFFAOYSA-N 0 0 377.286 3.011 20 30 GGEDRN O=S(=O)(CCc1ccc(F)cc1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000656924580 566975464 /nfs/dbraw/zinc/97/54/64/566975464.db2.gz PKXNJRJHBLTJHU-TXEJJXNPSA-N 0 0 393.324 3.371 20 30 GGEDRN C[C@H](C(=O)NC1(C#N)CCC1)N(C)Cc1cc(Br)ccc1Cl ZINC000494242061 566976060 /nfs/dbraw/zinc/97/60/60/566976060.db2.gz PXLBFIZNAFQSBT-LLVKDONJSA-N 0 0 384.705 3.485 20 30 GGEDRN C[C@H](c1nc(C(C)(C)c2ccccc2Br)no1)n1cnc(C#N)n1 ZINC000564436904 566976593 /nfs/dbraw/zinc/97/65/93/566976593.db2.gz JRFBKJFKJRKWEX-SNVBAGLBSA-N 0 0 387.241 3.230 20 30 GGEDRN Cc1nc(CNC(=O)C2(c3cccc(C#N)c3)CC2)sc1Br ZINC000452401018 566976553 /nfs/dbraw/zinc/97/65/53/566976553.db2.gz WYBWPYVUIRHYNB-UHFFFAOYSA-N 0 0 376.279 3.434 20 30 GGEDRN CN(CC(=O)NCc1ccc(C#N)cc1)Cc1csc(Br)c1 ZINC000519904189 566977111 /nfs/dbraw/zinc/97/71/11/566977111.db2.gz XTCSEGLLQHPBBX-UHFFFAOYSA-N 0 0 378.295 3.130 20 30 GGEDRN COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)C(C)C)s1 ZINC000519891516 566977376 /nfs/dbraw/zinc/97/73/76/566977376.db2.gz DNOSCLQQPZLWQC-UHFFFAOYSA-N 0 0 378.475 3.006 20 30 GGEDRN N#Cc1c(Br)cccc1N1CCS(=O)(=O)c2ccccc2C1 ZINC000583725482 566977670 /nfs/dbraw/zinc/97/76/70/566977670.db2.gz OOOGBXFEZAIWLM-UHFFFAOYSA-N 0 0 377.263 3.115 20 30 GGEDRN C=C(C)CN(CC)C(=O)C(=O)Nc1cc(F)c(Br)cc1OCC ZINC000564463368 566978188 /nfs/dbraw/zinc/97/81/88/566978188.db2.gz QCVIAROEDSMZNM-UHFFFAOYSA-N 0 0 387.249 3.350 20 30 GGEDRN C[C@]1(CNS(=O)(=O)c2ccc(Cl)cc2C#N)OCCc2sccc21 ZINC000564498443 566979592 /nfs/dbraw/zinc/97/95/92/566979592.db2.gz USFZEANWPWOOCH-MRXNPFEDSA-N 0 0 382.894 3.040 20 30 GGEDRN N#Cc1c(Br)cccc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC000564503793 566980077 /nfs/dbraw/zinc/98/00/77/566980077.db2.gz FQOUFGGSQRQMSH-UHFFFAOYSA-N 0 0 380.183 3.343 20 30 GGEDRN Cc1nsc(N2CCN(CCOc3ccc(Cl)c(F)c3)CC2)c1C#N ZINC000564499202 566980319 /nfs/dbraw/zinc/98/03/19/566980319.db2.gz WYBWFUASPCUWGO-UHFFFAOYSA-N 0 0 380.876 3.317 20 30 GGEDRN C=C[C@](C)(O)CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000564493473 566980574 /nfs/dbraw/zinc/98/05/74/566980574.db2.gz BFQHNDDXIKUSJY-HNNXBMFYSA-N 0 0 378.778 3.083 20 30 GGEDRN CN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cc(Br)ccc1Cl ZINC000494274054 566980633 /nfs/dbraw/zinc/98/06/33/566980633.db2.gz MTXXPLVZGJHCEF-INIZCTEOSA-N 0 0 384.705 3.343 20 30 GGEDRN C=CCNc1ncc(C(=O)N2CCc3c(Br)ccc(F)c3C2)s1 ZINC000544689805 566981195 /nfs/dbraw/zinc/98/11/95/566981195.db2.gz YDAAEENTHIGGHO-UHFFFAOYSA-N 0 0 396.285 3.263 20 30 GGEDRN Cc1ccsc1CCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000583770856 566981420 /nfs/dbraw/zinc/98/14/20/566981420.db2.gz ZBAYRKKDVHXNQH-UHFFFAOYSA-N 0 0 385.308 3.212 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCOC ZINC000583765970 566981876 /nfs/dbraw/zinc/98/18/76/566981876.db2.gz NENWSJDHUANXAL-UHFFFAOYSA-N 0 0 395.301 3.375 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NCC1=CCCC1 ZINC000612578918 566981734 /nfs/dbraw/zinc/98/17/34/566981734.db2.gz SYDDBAXONRRZRL-UHFFFAOYSA-N 0 0 395.272 3.329 20 30 GGEDRN C=CCCCCCNC(=O)c1sccc1S(=O)(=O)NCc1ccco1 ZINC000583762649 566982265 /nfs/dbraw/zinc/98/22/65/566982265.db2.gz ATYLPKIIMZMZQY-UHFFFAOYSA-N 0 0 382.507 3.296 20 30 GGEDRN CC(C)(C[C@H]1CCCN(C(=O)c2cccc(C#N)c2Br)C1)C(N)=O ZINC000452454721 566982881 /nfs/dbraw/zinc/98/28/81/566982881.db2.gz ZYLQYURNHNYWTN-GFCCVEGCSA-N 0 0 392.297 3.075 20 30 GGEDRN C=CCn1cccc1C(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000430115582 566984746 /nfs/dbraw/zinc/98/47/46/566984746.db2.gz BTYNIWNGVADJLU-OAHLLOKOSA-N 0 0 377.282 3.018 20 30 GGEDRN C[C@H](c1ccc(Cl)cc1)S(=O)(=O)CC(=O)NCc1ccc(C#N)cc1 ZINC000520077593 566984901 /nfs/dbraw/zinc/98/49/01/566984901.db2.gz HZFDUVFKAPHHAY-CYBMUJFWSA-N 0 0 376.865 3.004 20 30 GGEDRN C=CCSCCNC(=O)NC(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000612623680 566985867 /nfs/dbraw/zinc/98/58/67/566985867.db2.gz HIKSDEOZJLUHHV-UHFFFAOYSA-N 0 0 377.432 3.476 20 30 GGEDRN N#CCc1ccc(C(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)cc1 ZINC000430126507 566986658 /nfs/dbraw/zinc/98/66/58/566986658.db2.gz PXSHMXYDVNHWEN-INIZCTEOSA-N 0 0 387.277 3.096 20 30 GGEDRN CCCN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1Br ZINC000520171384 566987922 /nfs/dbraw/zinc/98/79/22/566987922.db2.gz HUHYSMVZHLKOAJ-GOSISDBHSA-N 0 0 378.314 3.470 20 30 GGEDRN COC(=O)[C@H](CCn1c(C)c(Br)cc(C#N)c1=O)c1ccccc1 ZINC000564569574 566989094 /nfs/dbraw/zinc/98/90/94/566989094.db2.gz DEOBVBWLFCXEKC-OAHLLOKOSA-N 0 0 389.249 3.138 20 30 GGEDRN C=C(C)[C@H](CC(=O)NC[C@H](CO)Cc1ccc(Br)cc1)OCC ZINC000430141833 566989146 /nfs/dbraw/zinc/98/91/46/566989146.db2.gz AAGFGONBFQJYST-WBVHZDCISA-N 0 0 384.314 3.088 20 30 GGEDRN N#CCc1cccc(C(=O)NC[C@@H](CO)Cc2cccc(Br)c2)c1 ZINC000430141213 566989535 /nfs/dbraw/zinc/98/95/35/566989535.db2.gz WXLPXXNKTKBUCX-INIZCTEOSA-N 0 0 387.277 3.096 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)N1CCc2c[nH]nc2C1 ZINC000656985061 566990735 /nfs/dbraw/zinc/99/07/35/566990735.db2.gz RBGGTPRZMRWAMG-UHFFFAOYSA-N 0 0 377.242 3.327 20 30 GGEDRN C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000656989529 566990759 /nfs/dbraw/zinc/99/07/59/566990759.db2.gz XIPYLGURVBRNNG-UHFFFAOYSA-N 0 0 387.860 3.473 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000583860634 566990998 /nfs/dbraw/zinc/99/09/98/566990998.db2.gz RJVXBEGARSBNNG-BXUZGUMPSA-N 0 0 382.894 3.472 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)N1CCC(NC(C)=O)CC1 ZINC000656985568 566991353 /nfs/dbraw/zinc/99/13/53/566991353.db2.gz AXPLMQJWDBUYGK-UHFFFAOYSA-N 0 0 396.285 3.146 20 30 GGEDRN COCC1(CCNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCC1 ZINC000583885421 566993139 /nfs/dbraw/zinc/99/31/39/566993139.db2.gz PPEMZAJIIVHSNJ-UHFFFAOYSA-N 0 0 376.400 3.062 20 30 GGEDRN COc1cc(C(=O)NCCc2cccc(C#N)c2)cc(Br)c1OC ZINC000564643843 566993811 /nfs/dbraw/zinc/99/38/11/566993811.db2.gz IFGIFWJGYQEWPT-UHFFFAOYSA-N 0 0 389.249 3.310 20 30 GGEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000583917256 566994507 /nfs/dbraw/zinc/99/45/07/566994507.db2.gz LASAQYFNWBAODZ-QZWWFDLISA-N 0 0 385.291 3.327 20 30 GGEDRN C[C@H](Oc1ccc(I)cc1)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000564648995 566995347 /nfs/dbraw/zinc/99/53/47/566995347.db2.gz RGYNRSQGYPTLQA-GWCFXTLKSA-N 0 0 386.233 3.113 20 30 GGEDRN N#CC1(C(=O)NC[C@@H](CO)Cc2ccccc2Br)CCCCC1 ZINC000430163184 566995471 /nfs/dbraw/zinc/99/54/71/566995471.db2.gz LBWHASSFPLHJEY-AWEZNQCLSA-N 0 0 379.298 3.190 20 30 GGEDRN CN(Cc1cc(Br)ccc1Cl)S(=O)(=O)CC1(C#N)CC1 ZINC000494372950 566995588 /nfs/dbraw/zinc/99/55/88/566995588.db2.gz XKRAJMUNMAREHD-UHFFFAOYSA-N 0 0 377.691 3.168 20 30 GGEDRN N#Cc1c(F)cccc1C(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000430179677 566997625 /nfs/dbraw/zinc/99/76/25/566997625.db2.gz PBWZWISNDXTDMT-CYBMUJFWSA-N 0 0 391.240 3.041 20 30 GGEDRN C=CCC1(CNS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)CCCC1 ZINC000657008625 566997847 /nfs/dbraw/zinc/99/78/47/566997847.db2.gz YMBDETDJWMGFDQ-UHFFFAOYSA-N 0 0 382.551 3.068 20 30 GGEDRN CCc1ccc([C@@H](C#N)N(C)S(=O)(=O)c2ccc(Br)o2)cc1 ZINC000564666516 566997892 /nfs/dbraw/zinc/99/78/92/566997892.db2.gz DMTFBWRFTOVVIQ-CYBMUJFWSA-N 0 0 383.267 3.490 20 30 GGEDRN N#Cc1cccc(NC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000494409743 566998388 /nfs/dbraw/zinc/99/83/88/566998388.db2.gz HEXYHHRDBVRVQE-HNNXBMFYSA-N 0 0 378.201 3.315 20 30 GGEDRN CN(C)c1ccc(Br)c(S(=O)(=O)N[C@](C)(C#N)C(C)(C)C)c1 ZINC000494406613 566998692 /nfs/dbraw/zinc/99/86/92/566998692.db2.gz YXKCZQBFGXDLTM-OAHLLOKOSA-N 0 0 388.331 3.122 20 30 GGEDRN CC(C)(C#N)CCS(=O)(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000564686410 566998732 /nfs/dbraw/zinc/99/87/32/566998732.db2.gz DBWKGNCTJBDGRR-UHFFFAOYSA-N 0 0 384.929 3.247 20 30 GGEDRN CCc1cc(Br)ccc1NC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000583972888 566999425 /nfs/dbraw/zinc/99/94/25/566999425.db2.gz IMQNUZCXOKCGED-UHFFFAOYSA-N 0 0 398.260 3.411 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(I)c(O)c1 ZINC000544825369 566999506 /nfs/dbraw/zinc/99/95/06/566999506.db2.gz GIIAOSMJGXQQKH-UHFFFAOYSA-N 0 0 392.196 3.141 20 30 GGEDRN CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000472108621 567002026 /nfs/dbraw/zinc/00/20/26/567002026.db2.gz QRHJZPSLQIJPDL-UHFFFAOYSA-N 0 0 379.825 3.331 20 30 GGEDRN N#CCCn1ccc(NC(=O)N=c2[nH]c3c(cccc3Br)s2)n1 ZINC000494441393 567002021 /nfs/dbraw/zinc/00/20/21/567002021.db2.gz XTVKWMDEUIOHQA-UHFFFAOYSA-N 0 0 391.254 3.235 20 30 GGEDRN N#CCn1c(-c2nc(Cn3cc(Br)cn3)no2)cc2ccccc21 ZINC000612949828 567004574 /nfs/dbraw/zinc/00/45/74/567004574.db2.gz CLBPNJSNFGKDDE-UHFFFAOYSA-N 0 0 383.209 3.222 20 30 GGEDRN N#Cc1ccc(NCc2nc(Cc3cc(Br)c[nH]c3=O)no2)cc1 ZINC000612956080 567005099 /nfs/dbraw/zinc/00/50/99/567005099.db2.gz NEUVPJSTLNPSSE-UHFFFAOYSA-N 0 0 386.209 3.007 20 30 GGEDRN C=CCOC[C@H](NC(=O)c1sc2ccccc2c1Br)C(=O)OC ZINC000584025517 567005457 /nfs/dbraw/zinc/00/54/57/567005457.db2.gz LXXJMKLMNLQYNI-NSHDSACASA-N 0 0 398.278 3.138 20 30 GGEDRN C[C@@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000564759173 567005896 /nfs/dbraw/zinc/00/58/96/567005896.db2.gz YOBXPNGETCXDPZ-HNNXBMFYSA-N 0 0 383.945 3.288 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)NCCc2ccccc2OC(F)F)c1 ZINC000472187428 567006216 /nfs/dbraw/zinc/00/62/16/567006216.db2.gz CPHUDZILSFIETH-UHFFFAOYSA-N 0 0 386.807 3.334 20 30 GGEDRN Cc1ccc(S(=O)(=O)NCCc2cccc(C#N)c2)c(Br)c1 ZINC000564763631 567006448 /nfs/dbraw/zinc/00/64/48/567006448.db2.gz ZFUMSTHWMVHBBN-UHFFFAOYSA-N 0 0 379.279 3.150 20 30 GGEDRN C=CC1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)OC)CC1 ZINC000430305232 567006732 /nfs/dbraw/zinc/00/67/32/567006732.db2.gz QVZOHLRCMXOHPO-UHFFFAOYSA-N 0 0 385.247 3.143 20 30 GGEDRN COC(=O)c1cc(NC(=O)NCC2(CC#N)CC2)c(C)cc1Br ZINC000494524093 567006717 /nfs/dbraw/zinc/00/67/17/567006717.db2.gz WEMJGQBNZMPQTL-UHFFFAOYSA-N 0 0 380.242 3.360 20 30 GGEDRN Cc1cc(C)c(NS(=O)(=O)c2cc(Br)cc(C#N)c2)cc1O ZINC000612997943 567009500 /nfs/dbraw/zinc/00/95/00/567009500.db2.gz 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ZNARXDXUNRJJOM-UHFFFAOYSA-N 0 0 381.233 3.396 20 30 GGEDRN N#CCCn1ccc(=NC(=O)c2cc(C(F)(F)F)ccc2Br)[nH]1 ZINC000431949229 567118367 /nfs/dbraw/zinc/11/83/67/567118367.db2.gz IDMGYFYIRKGEGM-UHFFFAOYSA-N 0 0 387.159 3.252 20 30 GGEDRN N#CCSCC(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000522497246 567118277 /nfs/dbraw/zinc/11/82/77/567118277.db2.gz GDGLVRPMRCVGLA-UHFFFAOYSA-N 0 0 396.259 3.231 20 30 GGEDRN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)CCCCCC#N ZINC000588166025 567118525 /nfs/dbraw/zinc/11/85/25/567118525.db2.gz HVUSGGQYASSIRJ-UHFFFAOYSA-N 0 0 390.285 3.462 20 30 GGEDRN CC[C@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000453860202 567118994 /nfs/dbraw/zinc/11/89/94/567118994.db2.gz JZKFXKGZRFUNPD-WCQYABFASA-N 0 0 378.270 3.202 20 30 GGEDRN C[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000497725894 567119103 /nfs/dbraw/zinc/11/91/03/567119103.db2.gz PWUCDHYUQWATOG-GFCCVEGCSA-N 0 0 386.249 3.479 20 30 GGEDRN C=CCOC[C@H]1NC(=O)N(c2ncc(Cc3ccccc3Cl)s2)C1=O ZINC000566017010 567119537 /nfs/dbraw/zinc/11/95/37/567119537.db2.gz RTCXUCNMVPELGR-CQSZACIVSA-N 0 0 377.853 3.015 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000431956715 567120211 /nfs/dbraw/zinc/12/02/11/567120211.db2.gz VCHJPGHPAVVPPX-UHFFFAOYSA-N 0 0 392.278 3.288 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NCCc1cccc(Cl)c1Cl ZINC000431954052 567120241 /nfs/dbraw/zinc/12/02/41/567120241.db2.gz OPWSOMFORYZXCG-UHFFFAOYSA-N 0 0 376.243 3.471 20 30 GGEDRN N#Cc1cc(Br)ccc1CN1CCNC(=O)[C@H]1c1ccccc1F ZINC000588204757 567120368 /nfs/dbraw/zinc/12/03/68/567120368.db2.gz HWZKNTBBLZKWAW-QGZVFWFLSA-N 0 0 388.240 3.133 20 30 GGEDRN COCCN(CC(=O)OC(C)(C)C)Cc1ccc(Br)cc1C#N ZINC000588200551 567120572 /nfs/dbraw/zinc/12/05/72/567120572.db2.gz MWYRQIYLCRHRDH-UHFFFAOYSA-N 0 0 383.286 3.111 20 30 GGEDRN CC[C@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000453867495 567120773 /nfs/dbraw/zinc/12/07/73/567120773.db2.gz OJXHKIXUPAKTQV-RYUDHWBXSA-N 0 0 378.270 3.202 20 30 GGEDRN COc1cc(=O)n(Cc2ccc(C#N)cc2OC(F)F)cc1Br ZINC000497752266 567120835 /nfs/dbraw/zinc/12/08/35/567120835.db2.gz AECQMJIQQGGDAE-UHFFFAOYSA-N 0 0 385.164 3.141 20 30 GGEDRN CC[C@@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000453867493 567121000 /nfs/dbraw/zinc/12/10/00/567121000.db2.gz OJXHKIXUPAKTQV-NEPJUHHUSA-N 0 0 378.270 3.202 20 30 GGEDRN C=C(C)CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000453872822 567122430 /nfs/dbraw/zinc/12/24/30/567122430.db2.gz HSGGOVWUFWQDLC-UHFFFAOYSA-N 0 0 395.175 3.369 20 30 GGEDRN C=C(C)CCNC(=O)C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000453883281 567122668 /nfs/dbraw/zinc/12/26/68/567122668.db2.gz SHYTZBBVSOGUMG-UHFFFAOYSA-N 0 0 375.252 3.040 20 30 GGEDRN C=C(C)CCNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000453875615 567123138 /nfs/dbraw/zinc/12/31/38/567123138.db2.gz LGOGGTURZPEOIR-UHFFFAOYSA-N 0 0 379.176 3.489 20 30 GGEDRN CC(C)(CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C1CCC1 ZINC000453881767 567123168 /nfs/dbraw/zinc/12/31/68/567123168.db2.gz PRWFZHJIABGSCH-UHFFFAOYSA-N 0 0 378.270 3.202 20 30 GGEDRN C=CC(C)(C)CNC(=O)C(=O)Nc1cc(F)c(Br)cc1OCC ZINC000453875772 567123179 /nfs/dbraw/zinc/12/31/79/567123179.db2.gz BRXAUZJGUKBYIX-UHFFFAOYSA-N 0 0 387.249 3.254 20 30 GGEDRN C=C(C)CCNC(=O)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000453884364 567123186 /nfs/dbraw/zinc/12/31/86/567123186.db2.gz TZXPEZIGPAHGNM-UHFFFAOYSA-N 0 0 376.507 3.327 20 30 GGEDRN Cc1cc(S(=O)(=O)NCc2cccc(C#N)c2)c(C)cc1Br ZINC000522629116 567123176 /nfs/dbraw/zinc/12/31/76/567123176.db2.gz XQIGSJPCLPTTCZ-UHFFFAOYSA-N 0 0 379.279 3.416 20 30 GGEDRN CCN(CCC(F)(F)F)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000588291155 567123785 /nfs/dbraw/zinc/12/37/85/567123785.db2.gz IUJOAYSPDHHUED-NSHDSACASA-N 0 0 377.388 3.179 20 30 GGEDRN COC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(Cl)c(C#N)c3)nc2C1 ZINC000566082110 567123994 /nfs/dbraw/zinc/12/39/94/567123994.db2.gz JUOCJEWQTSXLLP-JTQLQIEISA-N 0 0 375.837 3.198 20 30 GGEDRN COC(=O)c1cc(C#N)c(=O)n(CC/C=C/c2ccc(Br)cc2)c1 ZINC000522685814 567124438 /nfs/dbraw/zinc/12/44/38/567124438.db2.gz ZLFCLBMNWPWFEF-DUXPYHPUSA-N 0 0 387.233 3.373 20 30 GGEDRN N#Cc1ccc(-c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)[nH]1 ZINC000546380360 567125257 /nfs/dbraw/zinc/12/52/57/567125257.db2.gz PDDKIEASMAFCRN-UHFFFAOYSA-N 0 0 387.193 3.061 20 30 GGEDRN N#CCN1CCC(NC(=O)Nc2cccc3cc(Br)cnc32)CC1 ZINC000588305844 567125366 /nfs/dbraw/zinc/12/53/66/567125366.db2.gz JNMUWJDSHLIMJB-UHFFFAOYSA-N 0 0 388.269 3.107 20 30 GGEDRN C=CCNC(=O)c1cccc(-c2noc(-c3ccc(Br)cn3)n2)c1 ZINC000546364625 567125438 /nfs/dbraw/zinc/12/54/38/567125438.db2.gz ZEJGJJFBLSZZAE-UHFFFAOYSA-N 0 0 385.221 3.477 20 30 GGEDRN COc1ccc(I)c(NC(=O)NCC2(CC#N)CC2)c1 ZINC000432042626 567125826 /nfs/dbraw/zinc/12/58/26/567125826.db2.gz PIKSJAADFINJIK-UHFFFAOYSA-N 0 0 385.205 3.115 20 30 GGEDRN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@H](C#N)c1ccccc1Br ZINC000614621908 567126675 /nfs/dbraw/zinc/12/66/75/567126675.db2.gz VTTCEYXOFQABDQ-BXUZGUMPSA-N 0 0 380.286 3.071 20 30 GGEDRN N#CCN1CCC(NC(=O)Nc2cc(F)c(Br)c(Cl)c2)CC1 ZINC000588336138 567126595 /nfs/dbraw/zinc/12/65/95/567126595.db2.gz MCVXPLNUZCZCCB-UHFFFAOYSA-N 0 0 389.656 3.351 20 30 GGEDRN N#CCN1CCC(NC(=O)Nc2nc3c(cccc3Br)s2)CC1 ZINC000588339350 567127084 /nfs/dbraw/zinc/12/70/84/567127084.db2.gz AVXIRZBCCUPXJR-UHFFFAOYSA-N 0 0 394.298 3.168 20 30 GGEDRN CC(C)(C)OC(=O)C1(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CCCC1 ZINC000522751803 567128639 /nfs/dbraw/zinc/12/86/39/567128639.db2.gz FRKRRQOAZIGFOW-UHFFFAOYSA-N 0 0 384.885 3.144 20 30 GGEDRN C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000588381718 567128784 /nfs/dbraw/zinc/12/87/84/567128784.db2.gz HCNKKCIKRVNFPR-LPHOPBHVSA-N 0 0 398.260 3.106 20 30 GGEDRN CCN(CCC(F)(F)F)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000588371171 567128811 /nfs/dbraw/zinc/12/88/11/567128811.db2.gz LAYUBHARHVLWJB-UHFFFAOYSA-N 0 0 392.175 3.060 20 30 GGEDRN COc1ccc(Br)c(S(=O)(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000474061695 567129360 /nfs/dbraw/zinc/12/93/60/567129360.db2.gz DAVZWSPRECJRJQ-NSHDSACASA-N 0 0 395.278 3.369 20 30 GGEDRN N#Cc1cc(Cl)c(C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(Cl)c1 ZINC000614666916 567129808 /nfs/dbraw/zinc/12/98/08/567129808.db2.gz SOIKTDNRDRTBMX-SECBINFHSA-N 0 0 394.180 3.006 20 30 GGEDRN CC(C)(CNC(=O)CNc1ccc(C#N)cn1)c1ccc(Cl)c(Cl)c1 ZINC000497871746 567129713 /nfs/dbraw/zinc/12/97/13/567129713.db2.gz JNOSPHAWYMPZAX-UHFFFAOYSA-N 0 0 377.275 3.188 20 30 GGEDRN N#Cc1cccc(C2(c3nc(Cc4cc(Br)c[nH]c4=O)no3)CC2)c1 ZINC000546463276 567130317 /nfs/dbraw/zinc/13/03/17/567130317.db2.gz XQPJAFZNIIHAEO-UHFFFAOYSA-N 0 0 397.232 3.475 20 30 GGEDRN Cc1cc(CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)ccc1F ZINC000497907513 567130997 /nfs/dbraw/zinc/13/09/97/567130997.db2.gz JZMHWFRFJBPVBQ-UHFFFAOYSA-N 0 0 390.212 3.023 20 30 GGEDRN N#Cc1ccc(CNC(=O)NC[C@H](CO)c2ccc(Cl)cc2)cc1Cl ZINC000588672813 567132477 /nfs/dbraw/zinc/13/24/77/567132477.db2.gz KZYQSYMBGLEOEV-OAHLLOKOSA-N 0 0 378.259 3.440 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CC2)cc1Br ZINC000497913969 567132707 /nfs/dbraw/zinc/13/27/07/567132707.db2.gz MTSPZMSJPZPQEQ-UHFFFAOYSA-N 0 0 398.260 3.107 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@@H](C)COC ZINC000658373900 567137032 /nfs/dbraw/zinc/13/70/32/567137032.db2.gz HMGIWXNBDCSHDL-JTQLQIEISA-N 0 0 389.677 3.091 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H](C)COC ZINC000658372204 567137235 /nfs/dbraw/zinc/13/72/35/567137235.db2.gz QECRRTRLXPVELN-SNVBAGLBSA-N 0 0 378.778 3.347 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C)COC ZINC000658370858 567138011 /nfs/dbraw/zinc/13/80/11/567138011.db2.gz FZVRYHWBSCIFDV-JTQLQIEISA-N 0 0 378.778 3.347 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1)[C@H](C)COC ZINC000658375582 567138040 /nfs/dbraw/zinc/13/80/40/567138040.db2.gz JJWDFRGSRKNIPR-CYBMUJFWSA-N 0 0 383.286 3.054 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1cccc(Br)c1Cl)[C@@H](C)COC ZINC000658375877 567138140 /nfs/dbraw/zinc/13/81/40/567138140.db2.gz MBDXTLQJZFNBBR-JTQLQIEISA-N 0 0 389.677 3.091 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@H](C)COC ZINC000658374376 567138145 /nfs/dbraw/zinc/13/81/45/567138145.db2.gz OBAUOIOQDTUSDG-SNVBAGLBSA-N 0 0 389.677 3.091 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H](C)COC ZINC000658374264 567138259 /nfs/dbraw/zinc/13/82/59/567138259.db2.gz SPIRGLMZQYGWJQ-SNVBAGLBSA-N 0 0 378.778 3.347 20 30 GGEDRN CC[C@@H]1CC[C@H](C)N(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000454033612 567138733 /nfs/dbraw/zinc/13/87/33/567138733.db2.gz VDHMJISTTDIMPJ-NWDGAFQWSA-N 0 0 378.270 3.296 20 30 GGEDRN CC(C)(C)c1nc(CCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)cs1 ZINC000497980927 567138845 /nfs/dbraw/zinc/13/88/45/567138845.db2.gz CVDPQRZJJNSHMO-UHFFFAOYSA-N 0 0 383.926 3.487 20 30 GGEDRN C=C(CC)CNC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000454036403 567139028 /nfs/dbraw/zinc/13/90/28/567139028.db2.gz SQQDMVVIGLEHRP-UHFFFAOYSA-N 0 0 379.176 3.489 20 30 GGEDRN N#CCc1ccc(NC(=O)C(=O)N2CCC[C@]3(CCSC3)C2)c(Cl)c1 ZINC000454033217 567139626 /nfs/dbraw/zinc/13/96/26/567139626.db2.gz FYOBSGGBKSYJFF-SFHVURJKSA-N 0 0 377.897 3.090 20 30 GGEDRN N#Cc1cnn(-c2ccccc2NC(=O)Cc2ccccc2Br)c1N ZINC000588835007 567139671 /nfs/dbraw/zinc/13/96/71/567139671.db2.gz JZVGAIYQOLZMDS-UHFFFAOYSA-N 0 0 396.248 3.270 20 30 GGEDRN COc1ccc(Br)c(OC[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000432254143 567140878 /nfs/dbraw/zinc/14/08/78/567140878.db2.gz RKLDOGDYLGFPPM-CYBMUJFWSA-N 0 0 378.222 3.148 20 30 GGEDRN COc1ccc(Br)c(OC[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000432253357 567141303 /nfs/dbraw/zinc/14/13/03/567141303.db2.gz MKSHDCKQMFGEBY-AWEZNQCLSA-N 0 0 392.249 3.342 20 30 GGEDRN COc1ccc(Br)c(OC[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000432254144 567141654 /nfs/dbraw/zinc/14/16/54/567141654.db2.gz RKLDOGDYLGFPPM-ZDUSSCGKSA-N 0 0 378.222 3.148 20 30 GGEDRN C=CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OC)cc2Br)C1 ZINC000658438235 567142333 /nfs/dbraw/zinc/14/23/33/567142333.db2.gz WLHPPMMRUYVNCO-LBPRGKRZSA-N 0 0 381.270 3.211 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 ZINC000588895267 567142486 /nfs/dbraw/zinc/14/24/86/567142486.db2.gz GSCXKVXYNUSSTO-TXEJJXNPSA-N 0 0 386.317 3.061 20 30 GGEDRN CS(=O)(=O)N(Cc1ccc(Br)cc1C#N)c1ccccc1F ZINC000588874710 567142502 /nfs/dbraw/zinc/14/25/02/567142502.db2.gz MQDIBOSEAXADEX-UHFFFAOYSA-N 0 0 383.242 3.426 20 30 GGEDRN N#Cc1ccc(NC(=O)c2cnc3ncc(Br)cc3c2)cc1C#N ZINC000614838449 567142982 /nfs/dbraw/zinc/14/29/82/567142982.db2.gz DQPCGUAFKRALMU-UHFFFAOYSA-N 0 0 378.189 3.388 20 30 GGEDRN Cc1cc(Br)ccc1CNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000588890101 567143041 /nfs/dbraw/zinc/14/30/41/567143041.db2.gz ANTMIRBGABMWGD-UHFFFAOYSA-N 0 0 379.279 3.249 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)N2CCc3sc(Br)cc3C2)cc1 ZINC000588896075 567143172 /nfs/dbraw/zinc/14/31/72/567143172.db2.gz RTXRNJPJWWCLDU-UHFFFAOYSA-N 0 0 397.319 3.270 20 30 GGEDRN C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC)c(Br)c2)C1 ZINC000658438160 567143361 /nfs/dbraw/zinc/14/33/61/567143361.db2.gz VQRFBXNCJOFGCZ-GFCCVEGCSA-N 0 0 381.270 3.211 20 30 GGEDRN N#Cc1ccc(CN(c2ncc(I)cn2)C2CC2)cc1 ZINC000546620340 567143380 /nfs/dbraw/zinc/14/33/80/567143380.db2.gz PSYNUEAEEFRIIV-UHFFFAOYSA-N 0 0 376.201 3.122 20 30 GGEDRN C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC)cc2Br)C1 ZINC000658438233 567143446 /nfs/dbraw/zinc/14/34/46/567143446.db2.gz WLHPPMMRUYVNCO-GFCCVEGCSA-N 0 0 381.270 3.211 20 30 GGEDRN N#Cc1ccc(CN2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)c(F)c1 ZINC000588909910 567143989 /nfs/dbraw/zinc/14/39/89/567143989.db2.gz OBXIWOCEZOLTAD-OAHLLOKOSA-N 0 0 388.196 3.253 20 30 GGEDRN C=CCC(C)(C)CNS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000432271042 567144233 /nfs/dbraw/zinc/14/42/33/567144233.db2.gz POQLRULDXAICFY-UHFFFAOYSA-N 0 0 390.299 3.101 20 30 GGEDRN O=S(=O)(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cncc(F)c1 ZINC000588904737 567144903 /nfs/dbraw/zinc/14/49/03/567144903.db2.gz FEAQDESPEBZQQW-HTQZYQBOSA-N 0 0 394.312 3.409 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000474185216 567145322 /nfs/dbraw/zinc/14/53/22/567145322.db2.gz PCQGNTJHYNERKU-KRWDZBQOSA-N 0 0 380.286 3.250 20 30 GGEDRN C=CC[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000658495402 567146004 /nfs/dbraw/zinc/14/60/04/567146004.db2.gz AKMZSHZTBSTNFA-GFCCVEGCSA-N 0 0 385.327 3.284 20 30 GGEDRN CN(CC(C)(C)C#N)S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000432301352 567147367 /nfs/dbraw/zinc/14/73/67/567147367.db2.gz LZYRJTYKWOAKTF-UHFFFAOYSA-N 0 0 383.670 3.412 20 30 GGEDRN CC(C)(C)[C@@H](O)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000588963175 567147607 /nfs/dbraw/zinc/14/76/07/567147607.db2.gz HPOBRCFNGSDZRX-IRXDYDNUSA-N 0 0 380.330 3.038 20 30 GGEDRN C=CC[C@H](CC)NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000546667695 567148153 /nfs/dbraw/zinc/14/81/53/567148153.db2.gz KKPFMHYGAJCAFM-DZGCQCFKSA-N 0 0 380.286 3.208 20 30 GGEDRN C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1Cl ZINC000588962150 567148467 /nfs/dbraw/zinc/14/84/67/567148467.db2.gz ZNYZIZBMFZWIOS-LLVKDONJSA-N 0 0 384.288 3.385 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000432304210 567148787 /nfs/dbraw/zinc/14/87/87/567148787.db2.gz WJBZRIXTDUSWDU-ZFWWWQNUSA-N 0 0 377.432 3.039 20 30 GGEDRN C=CCC(C)(C)CNS(=O)(=O)c1cc(Br)c(OC)cc1OC ZINC000432306966 567148793 /nfs/dbraw/zinc/14/87/93/567148793.db2.gz KOYHJTPCNNYUJE-UHFFFAOYSA-N 0 0 392.315 3.347 20 30 GGEDRN CCC[C@@H](C#N)NC(=O)CCSCC(=O)Nc1ccc(Br)cc1 ZINC000523281372 567149096 /nfs/dbraw/zinc/14/90/96/567149096.db2.gz MTSDNWKWVQAYHY-AWEZNQCLSA-N 0 0 398.326 3.319 20 30 GGEDRN CN(CC(=O)Nc1ccc(C#N)c(Br)c1)C(=O)c1cccs1 ZINC000589011148 567149476 /nfs/dbraw/zinc/14/94/76/567149476.db2.gz CRUOVJDFUIRQRH-UHFFFAOYSA-N 0 0 378.251 3.093 20 30 GGEDRN CSCC[C@](C)(C#N)NC(=O)COc1ccccc1OCC(F)(F)F ZINC000589017650 567149717 /nfs/dbraw/zinc/14/97/17/567149717.db2.gz VAFYTWGAUJOBIZ-OAHLLOKOSA-N 0 0 376.400 3.158 20 30 GGEDRN CSCC[C@@](C)(C#N)NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000589018257 567149734 /nfs/dbraw/zinc/14/97/34/567149734.db2.gz VPNCHRDFBHIFAR-WBMJQRKESA-N 0 0 396.310 3.026 20 30 GGEDRN 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Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@](F)(C#N)C1 ZINC000615587278 567191724 /nfs/dbraw/zinc/19/17/24/567191724.db2.gz BXSBMQXUYLUKMT-INIZCTEOSA-N 0 0 377.217 3.021 20 30 GGEDRN C[C@@H](CC(=O)NC1CCN(CC#N)CC1)c1ccc(F)c(Br)c1 ZINC000589699794 567191930 /nfs/dbraw/zinc/19/19/30/567191930.db2.gz PCDOOODXTQSMIQ-LBPRGKRZSA-N 0 0 382.277 3.186 20 30 GGEDRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@](F)(C#N)C1 ZINC000615594109 567192093 /nfs/dbraw/zinc/19/20/93/567192093.db2.gz IBVPKCHEYRSORQ-PBHICJAKSA-N 0 0 383.261 3.108 20 30 GGEDRN N#C[C@]1(F)CCN(C(=O)c2coc(-c3ccc(Br)cc3F)n2)C1 ZINC000615591646 567192256 /nfs/dbraw/zinc/19/22/56/567192256.db2.gz DDPJFRVFDNGNOB-OAHLLOKOSA-N 0 0 382.164 3.321 20 30 GGEDRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@](F)(C#N)C1 ZINC000615587280 567192271 /nfs/dbraw/zinc/19/22/71/567192271.db2.gz BXSBMQXUYLUKMT-MRXNPFEDSA-N 0 0 377.217 3.021 20 30 GGEDRN Cc1c(C(=O)N2CC[C@@](F)(C#N)C2)cnn1-c1cccc(Br)c1 ZINC000615583858 567192547 /nfs/dbraw/zinc/19/25/47/567192547.db2.gz 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C=C(C)CNC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000474769619 567197538 /nfs/dbraw/zinc/19/75/38/567197538.db2.gz PNILTPQTBPFPCN-GFCCVEGCSA-N 0 0 381.192 3.377 20 30 GGEDRN N#C[C@@]1(F)CCN(C(=O)COc2ccc3ccccc3c2Br)C1 ZINC000615663418 567197783 /nfs/dbraw/zinc/19/77/83/567197783.db2.gz DPYMELPQHHCFSB-KRWDZBQOSA-N 0 0 377.213 3.445 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2Cc3cccc(Br)c3C2)cc1F ZINC000589908240 567198029 /nfs/dbraw/zinc/19/80/29/567198029.db2.gz FHFHUAJSAXECLS-UHFFFAOYSA-N 0 0 381.226 3.164 20 30 GGEDRN Cc1ccc(CN(C)S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000432853045 567198033 /nfs/dbraw/zinc/19/80/33/567198033.db2.gz OCEPELJFXIEFTD-UHFFFAOYSA-N 0 0 379.279 3.450 20 30 GGEDRN COCCN(Cc1c(C)nn(C)c1C)c1cc(Br)c(C#N)cc1F ZINC000566865380 567198189 /nfs/dbraw/zinc/19/81/89/567198189.db2.gz AOEUMELQUZQQPU-UHFFFAOYSA-N 0 0 395.276 3.463 20 30 GGEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccc(C#N)cc1 ZINC000432850741 567198185 /nfs/dbraw/zinc/19/81/85/567198185.db2.gz KZEDTLUMMMZNTN-NSHDSACASA-N 0 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C[C@@H](NC(=O)C1(C#N)CC(C)C1)c1ccc(Br)cc1OCCCO ZINC000590003652 567203095 /nfs/dbraw/zinc/20/30/95/567203095.db2.gz SYDYPGJECRSTJK-YNAXMUEKSA-N 0 0 395.297 3.327 20 30 GGEDRN COCCN(CCC#N)S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000615738189 567203317 /nfs/dbraw/zinc/20/33/17/567203317.db2.gz TYSUUAMOTGLLQL-UHFFFAOYSA-N 0 0 386.901 3.070 20 30 GGEDRN CN(CC(C)(C)C#N)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000432915409 567204174 /nfs/dbraw/zinc/20/41/74/567204174.db2.gz GICSHYFQKIVHCW-UHFFFAOYSA-N 0 0 395.301 3.299 20 30 GGEDRN Cc1c(Br)scc1C(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000590047243 567204207 /nfs/dbraw/zinc/20/42/07/567204207.db2.gz MAEFBSRQIOKVKL-UHFFFAOYSA-N 0 0 391.294 3.048 20 30 GGEDRN N#Cc1ccncc1N1CCN(Cc2nc3cc(Br)ccc3o2)CC1 ZINC000590013923 567204478 /nfs/dbraw/zinc/20/44/78/567204478.db2.gz GELPUFKWAPOFQT-UHFFFAOYSA-N 0 0 398.264 3.179 20 30 GGEDRN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000498842555 567204620 /nfs/dbraw/zinc/20/46/20/567204620.db2.gz 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C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1c(Br)cnn1C ZINC000637637575 567209675 /nfs/dbraw/zinc/20/96/75/567209675.db2.gz OLSOIKDMNVDPGL-UHFFFAOYSA-N 0 0 393.285 3.089 20 30 GGEDRN CN(C)c1ccccc1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432959384 567209819 /nfs/dbraw/zinc/20/98/19/567209819.db2.gz HQYSQFMJCXKQPA-UHFFFAOYSA-N 0 0 380.267 3.188 20 30 GGEDRN O=C1NCCN(CC#Cc2ccc(F)cc2)[C@H]1c1cccc(Br)c1 ZINC000498914390 567210790 /nfs/dbraw/zinc/21/07/90/567210790.db2.gz CKNYZNHOAJRCMJ-SFHVURJKSA-N 0 0 387.252 3.113 20 30 GGEDRN CC1(C)CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@H]1C#N ZINC000432965304 567210968 /nfs/dbraw/zinc/21/09/68/567210968.db2.gz MHGWMCCAPJBYIP-AWEZNQCLSA-N 0 0 382.283 3.024 20 30 GGEDRN Cc1cc(N(C)C)ccc1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432965154 567211202 /nfs/dbraw/zinc/21/12/02/567211202.db2.gz DRDDIRXKFSUPRB-UHFFFAOYSA-N 0 0 394.294 3.496 20 30 GGEDRN N#CCCOCCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1 ZINC000590127860 567211324 /nfs/dbraw/zinc/21/13/24/567211324.db2.gz IVRRXENYZRYSDE-UHFFFAOYSA-N 0 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GGEDRN Cc1cc(NC(=O)C(=O)NCC#Cc2ccccc2)c(F)cc1Br ZINC000498969354 567216337 /nfs/dbraw/zinc/21/63/37/567216337.db2.gz UIKNNIVENOHMQB-UHFFFAOYSA-N 0 0 389.224 3.003 20 30 GGEDRN C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C[C@@H]1C ZINC000590241506 567216268 /nfs/dbraw/zinc/21/62/68/567216268.db2.gz QHIRYHBKUQUKPB-NTZNESFSSA-N 0 0 378.270 3.200 20 30 GGEDRN CN(C)c1cc(C#N)cc(C(=O)N[C@@H](C#N)c2ccccc2Br)c1 ZINC000590247908 567216525 /nfs/dbraw/zinc/21/65/25/567216525.db2.gz FORVGAHHVBISIK-KRWDZBQOSA-N 0 0 383.249 3.381 20 30 GGEDRN C=C(CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)c1ccccc1 ZINC000590262576 567216527 /nfs/dbraw/zinc/21/65/27/567216527.db2.gz IAQXYSAATYUUFS-UHFFFAOYSA-N 0 0 384.233 3.089 20 30 GGEDRN CCOC(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccccc2Br)nc1 ZINC000590248017 567216604 /nfs/dbraw/zinc/21/66/04/567216604.db2.gz KNDJVKVLSKYOGL-HNNXBMFYSA-N 0 0 388.221 3.015 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)c1ccsc1 ZINC000590259533 567216675 /nfs/dbraw/zinc/21/66/75/567216675.db2.gz 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N#Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1Br ZINC000499080803 567222648 /nfs/dbraw/zinc/22/26/48/567222648.db2.gz OPESJKRHUMUYRJ-GDBMZVCRSA-N 0 0 390.281 3.344 20 30 GGEDRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N(CCC#N)CCC#N ZINC000524938593 567223164 /nfs/dbraw/zinc/22/31/64/567223164.db2.gz MFZYUMWWNNQUPN-INIZCTEOSA-N 0 0 392.297 3.300 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000455024051 567224882 /nfs/dbraw/zinc/22/48/82/567224882.db2.gz YPYZBAOPFVFJRS-GFCCVEGCSA-N 0 0 379.258 3.083 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000590421171 567225166 /nfs/dbraw/zinc/22/51/66/567225166.db2.gz YJKRQXUZOICHFY-UHFFFAOYSA-N 0 0 385.221 3.175 20 30 GGEDRN N#C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000590416176 567225725 /nfs/dbraw/zinc/22/57/25/567225725.db2.gz ZKFDAQOTPNOYJQ-AEFFLSMTSA-N 0 0 387.277 3.371 20 30 GGEDRN N#Cc1ccc(CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)cc1 ZINC000475105979 567225767 /nfs/dbraw/zinc/22/57/67/567225767.db2.gz 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567409244 /nfs/dbraw/zinc/40/92/44/567409244.db2.gz BWOHXJXBUMSNFP-LBPRGKRZSA-N 0 0 383.292 3.348 20 30 GGEDRN N#Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1sccc1Br ZINC000618717519 567409558 /nfs/dbraw/zinc/40/95/58/567409558.db2.gz ZVLJTPAIDMRCQL-CYBMUJFWSA-N 0 0 383.292 3.348 20 30 GGEDRN N#Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1ccccc1Br ZINC000618716188 567409594 /nfs/dbraw/zinc/40/95/94/567409594.db2.gz NNMYTKCLQPYHFD-OAHLLOKOSA-N 0 0 377.263 3.287 20 30 GGEDRN CC(C)(CCC#N)CNc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000569505422 567409680 /nfs/dbraw/zinc/40/96/80/567409680.db2.gz NYOPIGMALIMXTE-UHFFFAOYSA-N 0 0 385.917 3.103 20 30 GGEDRN N#Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1sccc1Br ZINC000618717520 567409756 /nfs/dbraw/zinc/40/97/56/567409756.db2.gz ZVLJTPAIDMRCQL-ZDUSSCGKSA-N 0 0 383.292 3.348 20 30 GGEDRN COc1c(NC(=O)CSc2ccc(C#N)cc2)cc(Cl)cc1C(N)=O ZINC000501877664 567411014 /nfs/dbraw/zinc/41/10/14/567411014.db2.gz ZSLFSLYYFVRDNL-UHFFFAOYSA-N 0 0 375.837 3.050 20 30 GGEDRN N#C[C@H]1CN(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCO1 ZINC000569533279 567411278 /nfs/dbraw/zinc/41/12/78/567411278.db2.gz DASDCGQLIHYCJC-INIZCTEOSA-N 0 0 378.837 3.045 20 30 GGEDRN N#C[C@@H]1CN(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCO1 ZINC000569533280 567411413 /nfs/dbraw/zinc/41/14/13/567411413.db2.gz DASDCGQLIHYCJC-MRXNPFEDSA-N 0 0 378.837 3.045 20 30 GGEDRN C=CCN(CCOC)c1cc(C(=O)OC)nc2ccc(Br)cc21 ZINC000477722196 567411607 /nfs/dbraw/zinc/41/16/07/567411607.db2.gz VHKQRGVOFUSFFA-UHFFFAOYSA-N 0 0 379.254 3.423 20 30 GGEDRN N#CC1(NC(=O)CCSCC(=O)Nc2ccc(Br)cc2)CCC1 ZINC000501892055 567412213 /nfs/dbraw/zinc/41/22/13/567412213.db2.gz FMMXNAACUWRQQB-UHFFFAOYSA-N 0 0 396.310 3.073 20 30 GGEDRN C=CCC(C)(C)C(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC ZINC000456734913 567413241 /nfs/dbraw/zinc/41/32/41/567413241.db2.gz WCBJJLRRVWQIKN-CYBMUJFWSA-N 0 0 384.314 3.327 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](CO)Cc1cccc(Br)c1C ZINC000456739784 567413792 /nfs/dbraw/zinc/41/37/92/567413792.db2.gz ZCYOIZWQTSZUIA-QGPMSJSTSA-N 0 0 396.325 3.006 20 30 GGEDRN CC[C@H](C#N)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000593443519 567414128 /nfs/dbraw/zinc/41/41/28/567414128.db2.gz KNKGOZRPHCTGSD-GFCCVEGCSA-N 0 0 378.270 3.176 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000456752328 567415072 /nfs/dbraw/zinc/41/50/72/567415072.db2.gz BNYQQRCAYGEVOC-CQSZACIVSA-N 0 0 380.897 3.361 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)COc1ccc2ccccc2c1Br ZINC000456754554 567415144 /nfs/dbraw/zinc/41/51/44/567415144.db2.gz ILFRJNRDZYAHKK-CQSZACIVSA-N 0 0 378.266 3.424 20 30 GGEDRN C=CCC[C@@H](CO)NC(=O)c1cc(Br)c(OCCC)c(OC)c1 ZINC000456754916 567415419 /nfs/dbraw/zinc/41/54/19/567415419.db2.gz JFJAPBRDRNBRGT-ZDUSSCGKSA-N 0 0 386.286 3.303 20 30 GGEDRN C[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccc(Br)cn1 ZINC000477773772 567416348 /nfs/dbraw/zinc/41/63/48/567416348.db2.gz BUDPKMNPGVYKKJ-IUODEOHRSA-N 0 0 383.249 3.275 20 30 GGEDRN C[C@@]1(C#N)CCCN(c2ncnc3cc(I)sc32)C1 ZINC000593467181 567416701 /nfs/dbraw/zinc/41/67/01/567416701.db2.gz JLSZAKOXJSFZIJ-ZDUSSCGKSA-N 0 0 384.246 3.426 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)c1c(Cl)cccc1I ZINC000456764986 567416748 /nfs/dbraw/zinc/41/67/48/567416748.db2.gz JKBAWWHKZBXZRQ-SECBINFHSA-N 0 0 379.625 3.002 20 30 GGEDRN C=CCC[C@@H](CO)NC(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000456761060 567416828 /nfs/dbraw/zinc/41/68/28/567416828.db2.gz WKMKODIDWLCSLM-AWEZNQCLSA-N 0 0 378.270 3.000 20 30 GGEDRN CN(Cc1cc(Br)cn1C)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618847043 567416878 /nfs/dbraw/zinc/41/68/78/567416878.db2.gz OOOSUMYCFQTCSQ-KRWDZBQOSA-N 0 0 387.281 3.488 20 30 GGEDRN COCCN(CCC#N)C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000618826548 567416979 /nfs/dbraw/zinc/41/69/79/567416979.db2.gz WBHVZLMINRWYME-UHFFFAOYSA-N 0 0 377.897 3.318 20 30 GGEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000618821298 567417013 /nfs/dbraw/zinc/41/70/13/567417013.db2.gz ZQTLTWHNRCOFCF-CYBMUJFWSA-N 0 0 386.240 3.033 20 30 GGEDRN CC(C)(C)CN(CCC#N)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000477778671 567417184 /nfs/dbraw/zinc/41/71/84/567417184.db2.gz XWCUVJMJUWTOPD-UHFFFAOYSA-N 0 0 394.313 3.357 20 30 GGEDRN N#Cc1cccc(CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000477797127 567418177 /nfs/dbraw/zinc/41/81/77/567418177.db2.gz MPTBNLUBWSEJOB-UHFFFAOYSA-N 0 0 380.223 3.263 20 30 GGEDRN C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCSC1 ZINC000569627364 567418180 /nfs/dbraw/zinc/41/81/80/567418180.db2.gz NOPINMWYRXOWQG-GFCCVEGCSA-N 0 0 382.331 3.174 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)c1cc(I)ccc1Cl ZINC000456779836 567418505 /nfs/dbraw/zinc/41/85/05/567418505.db2.gz QDCBFRSRINVSTL-SNVBAGLBSA-N 0 0 379.625 3.002 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)NCCc1cc(C(F)(F)F)ccn1 ZINC000549914445 567418427 /nfs/dbraw/zinc/41/84/27/567418427.db2.gz BMXPDXXBJLDLSR-UHFFFAOYSA-N 0 0 389.786 3.146 20 30 GGEDRN C=CCC[C@@H](CO)NC(=O)c1cnn(-c2cccc(Br)c2)c1C ZINC000456780703 567418547 /nfs/dbraw/zinc/41/85/47/567418547.db2.gz RTDYVFZGKNCGOU-AWEZNQCLSA-N 0 0 378.270 3.000 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000456777188 567418583 /nfs/dbraw/zinc/41/85/83/567418583.db2.gz MOSRKBCNZFQLNR-IAGOWNOFSA-N 0 0 381.314 3.029 20 30 GGEDRN CC[C@H](C#N)C(=O)N1CCC(Oc2ccccc2I)CC1 ZINC000593507506 567419038 /nfs/dbraw/zinc/41/90/38/567419038.db2.gz GXNNWCUKXYWWLN-GFCCVEGCSA-N 0 0 398.244 3.211 20 30 GGEDRN CC(C)Oc1cc(C(=O)NCC2CCN(CC#N)CC2)ccc1Br ZINC000593486215 567419105 /nfs/dbraw/zinc/41/91/05/567419105.db2.gz QEWWHZLIJIWIKE-UHFFFAOYSA-N 0 0 394.313 3.202 20 30 GGEDRN N#Cc1ccnc(N2CCN(c3cc(Cl)ccc3Cl)CC2)c1[N+](=O)[O-] ZINC000593487092 567419384 /nfs/dbraw/zinc/41/93/84/567419384.db2.gz LRBUXJKNCIEMSK-UHFFFAOYSA-N 0 0 378.219 3.495 20 30 GGEDRN CC(C)OCCOC1CCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000456812320 567419510 /nfs/dbraw/zinc/41/95/10/567419510.db2.gz WOIVLDJFLNNVKO-UHFFFAOYSA-N 0 0 395.297 3.367 20 30 GGEDRN Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618881162 567420406 /nfs/dbraw/zinc/42/04/06/567420406.db2.gz HTVKGSTVMKBABS-MRXNPFEDSA-N 0 0 398.260 3.371 20 30 GGEDRN N#Cc1cc(O)cc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000618881721 567420511 /nfs/dbraw/zinc/42/05/11/567420511.db2.gz MRZSNVWEBBBSCU-OAHLLOKOSA-N 0 0 386.249 3.035 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1Br ZINC000618878921 567420604 /nfs/dbraw/zinc/42/06/04/567420604.db2.gz LQCJZGIIAAFFGH-OAHLLOKOSA-N 0 0 398.260 3.371 20 30 GGEDRN Cc1ccc(I)cc1N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000477814890 567420637 /nfs/dbraw/zinc/42/06/37/567420637.db2.gz BAHHTCWFNAGAPL-BLLLJJGKSA-N 0 0 399.276 3.455 20 30 GGEDRN C=C(CC)CNC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000456832502 567420827 /nfs/dbraw/zinc/42/08/27/567420827.db2.gz XNDIBDOKPPYAKY-CQSZACIVSA-N 0 0 384.263 3.281 20 30 GGEDRN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000618878123 567420958 /nfs/dbraw/zinc/42/09/58/567420958.db2.gz DVXSZSUHFDVNOE-INIZCTEOSA-N 0 0 384.233 3.063 20 30 GGEDRN Cc1cc(NC(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)ccc1Br ZINC000618879588 567421066 /nfs/dbraw/zinc/42/10/66/567421066.db2.gz STOJBIDQXCRGMV-QGZVFWFLSA-N 0 0 398.260 3.371 20 30 GGEDRN COc1cc2c(cc1Cl)CN(S(=O)(=O)c1ccc(C#N)c(F)c1)CC2 ZINC000549990089 567423247 /nfs/dbraw/zinc/42/32/47/567423247.db2.gz NMTHWGVZCVIGKW-UHFFFAOYSA-N 0 0 380.828 3.106 20 30 GGEDRN COc1cc2c(cc1Cl)CN(S(=O)(=O)c1ccc(C#N)c(C)c1)CC2 ZINC000549987119 567423309 /nfs/dbraw/zinc/42/33/09/567423309.db2.gz LCUWBXAEPMQGOQ-UHFFFAOYSA-N 0 0 376.865 3.276 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCCc2ccc(Br)cc2Cl)o1 ZINC000549990115 567423339 /nfs/dbraw/zinc/42/33/39/567423339.db2.gz NTAXTYDSQZFNMS-UHFFFAOYSA-N 0 0 389.658 3.088 20 30 GGEDRN COCC1(CNC(=O)COc2ccc(C#N)c(Br)c2)CCCC1 ZINC000456885027 567423694 /nfs/dbraw/zinc/42/36/94/567423694.db2.gz RHQHZTBCCFBYKF-UHFFFAOYSA-N 0 0 381.270 3.023 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCOc3cc(F)c(Br)cc32)cc1 ZINC000550025490 567424673 /nfs/dbraw/zinc/42/46/73/567424673.db2.gz PKGWCNPTHDDVNP-UHFFFAOYSA-N 0 0 397.225 3.048 20 30 GGEDRN C=CCCOCCNC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000550029564 567424962 /nfs/dbraw/zinc/42/49/62/567424962.db2.gz RIUNJTVHCZHOKJ-SNVBAGLBSA-N 0 0 377.243 3.019 20 30 GGEDRN N#Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Br)c1)CC2 ZINC000550052543 567425779 /nfs/dbraw/zinc/42/57/79/567425779.db2.gz HNLQNHKLZBNCSG-UHFFFAOYSA-N 0 0 381.226 3.211 20 30 GGEDRN N#Cc1ccc2c(c1)N(S(=O)(=O)c1cc(Br)c(F)cc1F)CC2 ZINC000550053001 567426132 /nfs/dbraw/zinc/42/61/32/567426132.db2.gz PMVOCMCDYNASEQ-UHFFFAOYSA-N 0 0 399.216 3.350 20 30 GGEDRN C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)c2ccccc2O1 ZINC000436478094 567426333 /nfs/dbraw/zinc/42/63/33/567426333.db2.gz OQFVKQZFHOATOL-NSHDSACASA-N 0 0 393.262 3.297 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCCOc3ccccc32)cc1Br ZINC000618974620 567427798 /nfs/dbraw/zinc/42/77/98/567427798.db2.gz QHJVUWLHBBBJOU-UHFFFAOYSA-N 0 0 393.262 3.299 20 30 GGEDRN Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(C#N)c(Br)c1)CC2 ZINC000618959339 567427930 /nfs/dbraw/zinc/42/79/30/567427930.db2.gz NZTJXIASEGMXAR-UHFFFAOYSA-N 0 0 377.263 3.381 20 30 GGEDRN COc1cc(C)c(S(=O)(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1Cl ZINC000619004638 567429521 /nfs/dbraw/zinc/42/95/21/567429521.db2.gz FAYGLYYHQLDSQM-INIZCTEOSA-N 0 0 376.865 3.495 20 30 GGEDRN C[C@]1(CS(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)CC1(F)F ZINC000641365084 567429624 /nfs/dbraw/zinc/42/96/24/567429624.db2.gz VSWAOBQLBDJEEY-BIIVOSGPSA-N 0 0 375.281 3.034 20 30 GGEDRN CC[C@@H]1CO[C@@H](CC)CN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000593630200 567429776 /nfs/dbraw/zinc/42/97/76/567429776.db2.gz SPGAGEDUDJFTKG-OLZOCXBDSA-N 0 0 376.400 3.155 20 30 GGEDRN CC[C@@H]1COC(C)(C)CN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000593627296 567429974 /nfs/dbraw/zinc/42/99/74/567429974.db2.gz CHKGPUOHTIFKMU-GFCCVEGCSA-N 0 0 376.400 3.155 20 30 GGEDRN CC[C@@H]1CO[C@@H](CC)CN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000593629985 567430012 /nfs/dbraw/zinc/43/00/12/567430012.db2.gz OYEZMIRFEJATOY-OLZOCXBDSA-N 0 0 376.400 3.155 20 30 GGEDRN N#Cc1ccc2c(c1)N(S(=O)(=O)Cc1ccc(Br)cc1)CC2 ZINC000550154068 567430586 /nfs/dbraw/zinc/43/05/86/567430586.db2.gz GINUBJYUQCDBTF-UHFFFAOYSA-N 0 0 377.263 3.213 20 30 GGEDRN COc1ccc(C[C@@H]2CCCCN2S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000593642459 567431497 /nfs/dbraw/zinc/43/14/97/567431497.db2.gz KVRPAHFHKOTOLS-HNNXBMFYSA-N 0 0 376.503 3.414 20 30 GGEDRN N#Cc1cc(Br)cc(S(=O)(=O)N2CCC3(CC3(F)F)CC2)c1 ZINC000593647980 567431675 /nfs/dbraw/zinc/43/16/75/567431675.db2.gz BHTBERGDQKJHJS-UHFFFAOYSA-N 0 0 391.237 3.131 20 30 GGEDRN CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000502415777 567432168 /nfs/dbraw/zinc/43/21/68/567432168.db2.gz LCYTXVHFQLANEV-FZKQIMNGSA-N 0 0 392.297 3.247 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NCc1ccoc1 ZINC000550183714 567432479 /nfs/dbraw/zinc/43/24/79/567432479.db2.gz XIRPDLDXCFRMAT-UHFFFAOYSA-N 0 0 395.228 3.012 20 30 GGEDRN Cc1cc(C)c(NC(=O)C(=O)NCC2(C#N)CCCC2)c(Br)c1 ZINC000593671066 567432809 /nfs/dbraw/zinc/43/28/09/567432809.db2.gz CQIXXUHXQNBUDC-UHFFFAOYSA-N 0 0 378.270 3.205 20 30 GGEDRN CC[C@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)N1CCO[C@H](CC)C1 ZINC000550201379 567432769 /nfs/dbraw/zinc/43/27/69/567432769.db2.gz WWZYHWXYJXJMPQ-BRWVUGGUSA-N 0 0 394.313 3.019 20 30 GGEDRN CN(c1ccc(Br)cn1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000569789773 567433239 /nfs/dbraw/zinc/43/32/39/567433239.db2.gz RZRGZIHXFFXCGO-UHFFFAOYSA-N 0 0 386.658 3.194 20 30 GGEDRN CC[C@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)N1CCO[C@H](CC)C1 ZINC000550201381 567434456 /nfs/dbraw/zinc/43/44/56/567434456.db2.gz WWZYHWXYJXJMPQ-IXDOHACOSA-N 0 0 394.313 3.019 20 30 GGEDRN N#CC1(CNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CCCC1 ZINC000593673591 567434596 /nfs/dbraw/zinc/43/45/96/567434596.db2.gz DRNXVLWVZRNUIE-UHFFFAOYSA-N 0 0 390.281 3.076 20 30 GGEDRN Cc1cc(C)c(NC(=O)C(=O)NCC2(C#N)CCCC2)cc1Br ZINC000593674372 567435022 /nfs/dbraw/zinc/43/50/22/567435022.db2.gz ZXCQGWRXSAPPKH-UHFFFAOYSA-N 0 0 378.270 3.205 20 30 GGEDRN COc1cc(C(=O)NCc2ccc(C#N)cc2)cc(Br)c1OC ZINC000550254534 567435590 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COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1F ZINC000594576894 567487135 /nfs/dbraw/zinc/48/71/35/567487135.db2.gz HWQPHSNWOZNFSH-MGPLVRAMSA-N 0 0 388.848 3.016 20 30 GGEDRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1F ZINC000594576896 567487156 /nfs/dbraw/zinc/48/71/56/567487156.db2.gz HWQPHSNWOZNFSH-QLJPJBMISA-N 0 0 388.848 3.016 20 30 GGEDRN N#Cc1ccc(C(=O)CNS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000551207817 567487285 /nfs/dbraw/zinc/48/72/85/567487285.db2.gz VHWAKAGOBUGPRU-UHFFFAOYSA-N 0 0 387.219 3.165 20 30 GGEDRN N#Cc1cccc(CCNC(=O)c2cn(-c3ccc(Br)cc3)cn2)c1 ZINC000570469045 567487581 /nfs/dbraw/zinc/48/75/81/567487581.db2.gz UTFWRXKHVYAGRE-UHFFFAOYSA-N 0 0 395.260 3.479 20 30 GGEDRN CC#CCCNC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000642754917 567487497 /nfs/dbraw/zinc/48/74/97/567487497.db2.gz WYAQPJMVKYAVIE-OAHLLOKOSA-N 0 0 376.806 3.231 20 30 GGEDRN CC[C@@H](C#N)N(C)S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000594578981 567488554 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N#Cc1cc(C(=O)Nc2cc3c(cc2Br)NC(=O)CO3)ccc1F ZINC000551230622 567491231 /nfs/dbraw/zinc/49/12/31/567491231.db2.gz AGFAMSCKVHOXJG-UHFFFAOYSA-N 0 0 390.168 3.043 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)c1nnc(COC)n1C[C@@H]1CCOC1 ZINC000643080009 567491467 /nfs/dbraw/zinc/49/14/67/567491467.db2.gz CCLJXPUTUKDGQG-ZDUSSCGKSA-N 0 0 382.917 3.369 20 30 GGEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)COc2ccsc2Cl)n1 ZINC000551262211 567492163 /nfs/dbraw/zinc/49/21/63/567492163.db2.gz RYVOSGIFUIXRCN-UHFFFAOYSA-N 0 0 376.800 3.037 20 30 GGEDRN Cc1sc(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)nc1C(C)C ZINC000478951780 567493576 /nfs/dbraw/zinc/49/35/76/567493576.db2.gz LKKMKXMQJIJIFU-UHFFFAOYSA-N 0 0 376.869 3.355 20 30 GGEDRN N#CC1(N(C(=O)Cc2ccc(I)cc2)C2CC2)CCC1 ZINC000551284343 567493975 /nfs/dbraw/zinc/49/39/75/567493975.db2.gz GIAJETSOKFZGTK-UHFFFAOYSA-N 0 0 380.229 3.271 20 30 GGEDRN CN(C(=O)CN1CCc2c(Br)cccc2C1)C1(C#N)CCCCC1 ZINC000503575259 567495772 /nfs/dbraw/zinc/49/57/72/567495772.db2.gz BERNHYKISXSLMO-UHFFFAOYSA-N 0 0 390.325 3.492 20 30 GGEDRN COc1ccc(C(=O)N(C2CC2)C2(C#N)CCC2)c(I)c1 ZINC000551309774 567496453 /nfs/dbraw/zinc/49/64/53/567496453.db2.gz YAVWKCVCDZVGSB-UHFFFAOYSA-N 0 0 396.228 3.351 20 30 GGEDRN N#Cc1cc(Br)ccc1CN1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000570575946 567496727 /nfs/dbraw/zinc/49/67/27/567496727.db2.gz URQPVNCNGNEYPC-UHFFFAOYSA-N 0 0 397.338 3.112 20 30 GGEDRN N#Cc1cc(C(=O)Nc2ncc(F)cc2I)ccc1F ZINC000551302886 567496716 /nfs/dbraw/zinc/49/67/16/567496716.db2.gz YOJAAHJOGWKXTK-UHFFFAOYSA-N 0 0 385.111 3.088 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc(I)c1C ZINC000437468081 567496985 /nfs/dbraw/zinc/49/69/85/567496985.db2.gz BEAWJKDCVASTBJ-SWLSCSKDSA-N 0 0 385.245 3.311 20 30 GGEDRN CCc1cc(Br)ccc1NC(=O)C(=O)NCc1ccc(C#N)cc1 ZINC000479029793 567497133 /nfs/dbraw/zinc/49/71/33/567497133.db2.gz HHXULIIPARHDMG-UHFFFAOYSA-N 0 0 386.249 3.138 20 30 GGEDRN N#Cc1ccc(CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)cc1 ZINC000551315379 567497392 /nfs/dbraw/zinc/49/73/92/567497392.db2.gz VHIWAQBWSMLKEP-UHFFFAOYSA-N 0 0 381.233 3.436 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCOc1ccc(Br)cc1F ZINC000437479863 567497407 /nfs/dbraw/zinc/49/74/07/567497407.db2.gz DYVORBUYMOGJDR-YVEFUNNKSA-N 0 0 386.261 3.455 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000437510146 567497443 /nfs/dbraw/zinc/49/74/43/567497443.db2.gz YUJLYQYTSOUMJD-DYVFJYSZSA-N 0 0 390.281 3.346 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000437475123 567497531 /nfs/dbraw/zinc/49/75/31/567497531.db2.gz AYNNLKCPPRALIT-BBRMVZONSA-N 0 0 377.535 3.498 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(F)cc1I ZINC000437483874 567497570 /nfs/dbraw/zinc/49/75/70/567497570.db2.gz NASDCROULFSJSP-IINYFYTJSA-N 0 0 389.208 3.141 20 30 GGEDRN COCc1ccc(NC(=O)N(C)Cc2cc(Br)cn2C)cc1C#N ZINC000529211231 567497628 /nfs/dbraw/zinc/49/76/28/567497628.db2.gz LTUGAHZLFUVYPP-UHFFFAOYSA-N 0 0 391.269 3.470 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000437510145 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C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(C)c(I)c1 ZINC000437476786 567498367 /nfs/dbraw/zinc/49/83/67/567498367.db2.gz OXLOSEMXMREUHB-UKRRQHHQSA-N 0 0 385.245 3.311 20 30 GGEDRN CC(C)C[C@@](C)(C#N)NC(=O)COc1ccc(I)cc1 ZINC000503668151 567498654 /nfs/dbraw/zinc/49/86/54/567498654.db2.gz AEEFLBONESMGRN-HNNXBMFYSA-N 0 0 386.233 3.115 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000437523040 567498792 /nfs/dbraw/zinc/49/87/92/567498792.db2.gz ZAPHCGTYOCCHMW-APPDUMDISA-N 0 0 391.265 3.414 20 30 GGEDRN COc1ccc(C)cc1NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000570619666 567498836 /nfs/dbraw/zinc/49/88/36/567498836.db2.gz YVLMDXCEYGMXTH-UHFFFAOYSA-N 0 0 388.221 3.215 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)c2c(Br)ccc3ccccc32)C1=O ZINC000529257140 567500800 /nfs/dbraw/zinc/50/08/00/567500800.db2.gz RNFQBVDZBNTPQS-INIZCTEOSA-N 0 0 387.277 3.461 20 30 GGEDRN CC1(C)CN(S(=O)(=O)c2ccc(C#N)nc2)c2cc(Br)ccc21 ZINC000594697022 567500853 /nfs/dbraw/zinc/50/08/53/567500853.db2.gz 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CC(C)(CC#N)CNC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000457988533 567510778 /nfs/dbraw/zinc/51/07/78/567510778.db2.gz CZBQIJZPPDLZCO-UHFFFAOYSA-N 0 0 375.523 3.490 20 30 GGEDRN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000594769908 567510797 /nfs/dbraw/zinc/51/07/97/567510797.db2.gz BSQZYBINCIDFHM-DETPVDSQSA-N 0 0 378.519 3.251 20 30 GGEDRN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594773174 567510905 /nfs/dbraw/zinc/51/09/05/567510905.db2.gz WOXDHEIYFRDVBC-HNNXBMFYSA-N 0 0 377.535 3.186 20 30 GGEDRN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCc2ncsc2C1 ZINC000594771780 567510973 /nfs/dbraw/zinc/51/09/73/567510973.db2.gz TWBZQZVJIXPRMR-UHFFFAOYSA-N 0 0 375.500 3.285 20 30 GGEDRN CC(C)(CC#N)CNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000457989774 567511071 /nfs/dbraw/zinc/51/10/71/567511071.db2.gz GESXWJRAQBKJCS-JOCHJYFZSA-N 0 0 385.327 3.393 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000479160388 567511551 /nfs/dbraw/zinc/51/15/51/567511551.db2.gz 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Cc1cc(NC(=O)c2cccc(F)c2I)n(CCC#N)n1 ZINC000533069905 567750097 /nfs/dbraw/zinc/75/00/97/567750097.db2.gz ZNDSBGVTAOTYHV-UHFFFAOYSA-N 0 0 398.179 3.101 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCc3ccccc32)cc1Br ZINC000554810599 567750249 /nfs/dbraw/zinc/75/02/49/567750249.db2.gz HKXKZVOBSHPZEO-UHFFFAOYSA-N 0 0 381.226 3.211 20 30 GGEDRN N#Cc1cc(F)c(NCc2ccnc(N3CCOCC3)c2)cc1Br ZINC000554801574 567750261 /nfs/dbraw/zinc/75/02/61/567750261.db2.gz VYCGLQPBLUPJAK-UHFFFAOYSA-N 0 0 391.244 3.304 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000443347002 567750411 /nfs/dbraw/zinc/75/04/11/567750411.db2.gz QHKFVCRYQOLNGA-UHFFFAOYSA-N 0 0 377.828 3.353 20 30 GGEDRN C=CCn1c(C)nnc1N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000508496813 567750444 /nfs/dbraw/zinc/75/04/44/567750444.db2.gz GPWSUQQCPUFSEQ-CQSZACIVSA-N 0 0 390.329 3.418 20 30 GGEDRN N#Cc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)nc1 ZINC000554807314 567750631 /nfs/dbraw/zinc/75/06/31/567750631.db2.gz OHMKDBKXYWCQFZ-UHFFFAOYSA-N 0 0 386.165 3.265 20 30 GGEDRN C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccoc1 ZINC000508498614 567750676 /nfs/dbraw/zinc/75/06/76/567750676.db2.gz UFOVDGQSGPYHTA-UHFFFAOYSA-N 0 0 376.258 3.462 20 30 GGEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000508493201 567750691 /nfs/dbraw/zinc/75/06/91/567750691.db2.gz LCUZFQGYZIWWSE-NHYWBVRUSA-N 0 0 392.301 3.225 20 30 GGEDRN CCC[C@H](C#N)NS(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000533090486 567750811 /nfs/dbraw/zinc/75/08/11/567750811.db2.gz LSCJFALOMMFRRF-MRVPVSSYSA-N 0 0 381.679 3.082 20 30 GGEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC000508491491 567751066 /nfs/dbraw/zinc/75/10/66/567751066.db2.gz GLHHKCZXYPQQPN-LLVKDONJSA-N 0 0 380.290 3.225 20 30 GGEDRN CCC[C@@H](C#N)NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000533090905 567751316 /nfs/dbraw/zinc/75/13/16/567751316.db2.gz AWWSQIAKGTZBHM-QMMMGPOBSA-N 0 0 385.205 3.438 20 30 GGEDRN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)Nc2nc(C)c(C#N)cc2Cl)s1 ZINC000461889154 567751759 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CO[C@@](C)(C(=O)Nc1ccc(Br)c(C#N)c1)C(=O)OC(C)(C)C ZINC000598837466 567793423 /nfs/dbraw/zinc/79/34/23/567793423.db2.gz GENATWXPIGEWOC-INIZCTEOSA-N 0 0 383.242 3.006 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCOc1ccccc1 ZINC000555667411 567794149 /nfs/dbraw/zinc/79/41/49/567794149.db2.gz ITCFNQAOKQDCKE-UHFFFAOYSA-N 0 0 378.881 3.111 20 30 GGEDRN N#Cc1ccc(O[C@@H]2CCN(CCOc3ccccc3Br)C2)nc1 ZINC000555653179 567794154 /nfs/dbraw/zinc/79/41/54/567794154.db2.gz RLFZDNDQBOSTOK-OAHLLOKOSA-N 0 0 388.265 3.248 20 30 GGEDRN N#Cc1ccc(O[C@H]2CCN(CCOc3ccccc3Br)C2)nc1 ZINC000555653177 567794256 /nfs/dbraw/zinc/79/42/56/567794256.db2.gz RLFZDNDQBOSTOK-HNNXBMFYSA-N 0 0 388.265 3.248 20 30 GGEDRN CO[C@](C)(C(=O)Nc1cccc(C#N)c1Br)C(=O)OC(C)(C)C ZINC000598841640 567794349 /nfs/dbraw/zinc/79/43/49/567794349.db2.gz JDHPKWHTRYAQON-MRXNPFEDSA-N 0 0 383.242 3.006 20 30 GGEDRN N#CCN(C(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000598841779 567794406 /nfs/dbraw/zinc/79/44/06/567794406.db2.gz 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C[C@@H](Sc1ccccc1-c1nn[nH]n1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000820555056 599347079 /nfs/dbraw/zinc/34/70/79/599347079.db2.gz FQAMIQZOGBUQDD-SNVBAGLBSA-N 0 0 396.501 3.408 20 30 GGEDRN COc1cccc2cc(C(=O)C=Cc3cnc4ccc(-c5nn[nH]n5)cn34)oc21 ZINC000737143001 599460817 /nfs/dbraw/zinc/46/08/17/599460817.db2.gz OGTUJRPLOVRMBO-SREVYHEPSA-N 0 0 386.371 3.165 20 30 GGEDRN O=C(C=Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1cccc(C(F)(F)F)c1 ZINC000737809394 599461684 /nfs/dbraw/zinc/46/16/84/599461684.db2.gz VXAXKIUICIUZAR-WAYWQWQTSA-N 0 0 384.321 3.429 20 30 GGEDRN O=C(C=Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1cccc(OC(F)F)c1 ZINC000737808436 599461814 /nfs/dbraw/zinc/46/18/14/599461814.db2.gz TXLQJNIYQPEKQX-AATRIKPKSA-N 0 0 382.330 3.012 20 30 GGEDRN C=CCN(CCc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000819743711 599484778 /nfs/dbraw/zinc/48/47/78/599484778.db2.gz OWBNCFAQUWNPAW-MRXNPFEDSA-N 0 0 376.464 3.368 20 30 GGEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000820340002 599680894 /nfs/dbraw/zinc/68/08/94/599680894.db2.gz IHRDKPYNSHNCCH-HNNXBMFYSA-N 0 0 389.463 3.420 20 30 GGEDRN N#Cc1cccc(C2(NC(=O)Nc3ccc(-c4nn[nH]n4)c(Cl)c3)CC2)c1 ZINC000826386765 607392075 /nfs/dbraw/zinc/39/20/75/607392075.db2.gz RYKVRNGMPHMJNK-UHFFFAOYSA-N 0 0 379.811 3.203 20 30 GGEDRN N#Cc1ccccc1OCC[NH2+][C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000739146661 599790694 /nfs/dbraw/zinc/79/06/94/599790694.db2.gz KHZLOTYMCKYMGP-MRXNPFEDSA-N 0 0 375.222 3.115 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)cc1C#N ZINC000820164369 607397198 /nfs/dbraw/zinc/39/71/98/607397198.db2.gz JKYXIEBOHDXABO-UHFFFAOYSA-N 0 0 394.460 3.256 20 30 GGEDRN C[NH+]1CCC(CNC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC1 ZINC000737508977 599833751 /nfs/dbraw/zinc/83/37/51/599833751.db2.gz PLIKVVUJAUUCAA-UHFFFAOYSA-N 0 0 391.471 3.248 20 30 GGEDRN CC[N@@H+]1CCCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC1 ZINC000737116501 599838070 /nfs/dbraw/zinc/83/80/70/599838070.db2.gz XHXBIBCERLIUAQ-UHFFFAOYSA-N 0 0 391.471 3.344 20 30 GGEDRN CCCNC(=S)C(C(=O)c1cc(C(=O)[O-])co1)[n+]1ccc(CCC)cc1 ZINC000737030129 599854612 /nfs/dbraw/zinc/85/46/12/599854612.db2.gz QOPHPZSQUTYUSW-UHFFFAOYSA-O 0 0 375.470 3.156 20 30 GGEDRN CNC(=S)C(C(=O)c1cc(C(=O)[O-])co1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000737554245 599855178 /nfs/dbraw/zinc/85/51/78/599855178.db2.gz YQPGWXBQNGWTHZ-UHFFFAOYSA-O 0 0 395.460 3.014 20 30 GGEDRN C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC000737515326 599878857 /nfs/dbraw/zinc/87/88/57/599878857.db2.gz SUFHCQLQZUCEKN-IBGZPJMESA-N 0 0 391.471 3.248 20 30 GGEDRN N#CCOc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000739086601 599928632 /nfs/dbraw/zinc/92/86/32/599928632.db2.gz BEJDQHPCWDMAEO-MRXNPFEDSA-N 0 0 375.222 3.267 20 30 GGEDRN C[C@]([NH2+]CCOc1ccc(C#N)cc1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736663902 600079007 /nfs/dbraw/zinc/07/90/07/600079007.db2.gz HRXGTFYRVFPUAH-GOSISDBHSA-N 0 0 389.249 3.289 20 30 GGEDRN C[C@@]([NH2+]CCOc1ccccc1C#N)(C(=O)[O-])c1cccc(Br)c1 ZINC000736665568 600079120 /nfs/dbraw/zinc/07/91/20/600079120.db2.gz WITRWKLLXZQCGE-SFHVURJKSA-N 0 0 389.249 3.289 20 30 GGEDRN C=CC[NH+]1CCC(NC(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC1 ZINC000736107493 600115530 /nfs/dbraw/zinc/11/55/30/600115530.db2.gz XHRJUHXFPGDUPQ-UHFFFAOYSA-N 0 0 377.510 3.166 20 30 GGEDRN N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C(=O)[O-])C2)sc2c1CCCCC2 ZINC000739092802 600139826 /nfs/dbraw/zinc/13/98/26/600139826.db2.gz KNUNWMRKJONICA-CYBMUJFWSA-N 0 0 375.494 3.014 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)N(C)Cc2ccc(-c3nn[nH]n3)cc2)cc1C#N ZINC000820165907 607432695 /nfs/dbraw/zinc/43/26/95/607432695.db2.gz RPHAVBMMTQKJBI-UHFFFAOYSA-N 0 0 391.435 3.189 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1-c1nn[nH]n1 ZINC000820165886 607434762 /nfs/dbraw/zinc/43/47/62/607434762.db2.gz RBHUTRBCZDOTKR-UHFFFAOYSA-N 0 0 395.423 3.195 20 30 GGEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000738364607 600295808 /nfs/dbraw/zinc/29/58/08/600295808.db2.gz XLSLCNCAKXZWQJ-PKOBYXMFSA-N 0 0 383.492 3.125 20 30 GGEDRN O=C([O-])c1cccc(C#Cc2cccc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2)c1 ZINC000740212397 600379730 /nfs/dbraw/zinc/37/97/30/600379730.db2.gz KNOXHKLGZOZFHA-OAQYLSRUSA-N 0 0 389.455 3.097 20 30 GGEDRN O=C([O-])c1cccc(C#Cc2cccc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2)c1 ZINC000740212396 600379820 /nfs/dbraw/zinc/37/98/20/600379820.db2.gz KNOXHKLGZOZFHA-NRFANRHFSA-N 0 0 389.455 3.097 20 30 GGEDRN N#Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000739107359 600562865 /nfs/dbraw/zinc/56/28/65/600562865.db2.gz WUQHRFRXMNHRDO-IBGZPJMESA-N 0 0 387.842 3.294 20 30 GGEDRN N#Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000739106840 600562952 /nfs/dbraw/zinc/56/29/52/600562952.db2.gz UDSIQUGXWIUJQW-FQEVSTJZSA-N 0 0 399.878 3.034 20 30 GGEDRN COc1ccccc1NC(=O)C1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000738136738 600563673 /nfs/dbraw/zinc/56/36/73/600563673.db2.gz NZXLHTCAGFGJEP-HXUWFJFHSA-N 0 0 393.443 3.043 20 30 GGEDRN N#Cc1ccc([C@H](C(=O)[O-])[NH+]2CCN(Cc3ccc(F)cc3Cl)CC2)cc1 ZINC000739107749 600564625 /nfs/dbraw/zinc/56/46/25/600564625.db2.gz ZHDLQEBJHJSGBH-LJQANCHMSA-N 0 0 387.842 3.294 20 30 GGEDRN CN(C[C@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C ZINC000737409965 600566121 /nfs/dbraw/zinc/56/61/21/600566121.db2.gz OPQHPTDODKEFCO-SJLPKXTDSA-N 0 0 387.480 3.263 20 30 GGEDRN C[C@H](c1ccc(F)cc1F)N1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736716850 600568384 /nfs/dbraw/zinc/56/83/84/600568384.db2.gz IYIOKKHDQXZKNT-JLTOFOAXSA-N 0 0 385.414 3.341 20 30 GGEDRN C[C@@H](c1ccc(F)cc1F)N1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736716851 600568569 /nfs/dbraw/zinc/56/85/69/600568569.db2.gz IYIOKKHDQXZKNT-VBKZILBWSA-N 0 0 385.414 3.341 20 30 GGEDRN C[C@@H](c1ccc(F)cc1F)N1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736716853 600568606 /nfs/dbraw/zinc/56/86/06/600568606.db2.gz IYIOKKHDQXZKNT-XOBRGWDASA-N 0 0 385.414 3.341 20 30 GGEDRN C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736649872 600569780 /nfs/dbraw/zinc/56/97/80/600569780.db2.gz KEUBQYTXPLATOR-KDOFPFPSSA-N 0 0 387.480 3.309 20 30 GGEDRN COc1ccc(Br)c(C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737917699 600594659 /nfs/dbraw/zinc/59/46/59/600594659.db2.gz LYWVKISMDCPYNE-INIZCTEOSA-N 0 0 375.222 3.245 20 30 GGEDRN N#Cc1ccc([C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C(=O)[O-])cc1 ZINC000739108596 600595070 /nfs/dbraw/zinc/59/50/70/600595070.db2.gz VQMZWAOMQSNMPY-FQEVSTJZSA-N 0 0 385.414 3.216 20 30 GGEDRN COc1ccc(C)cc1C1(C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCOCC1 ZINC000737976370 600595729 /nfs/dbraw/zinc/59/57/29/600595729.db2.gz SKKQETUKTWPVCE-OAQYLSRUSA-N 0 0 394.471 3.339 20 30 GGEDRN COc1ccc(Br)cc1C[NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737921018 600596609 /nfs/dbraw/zinc/59/66/09/600596609.db2.gz VEUZBZXFXKTSKW-MRXNPFEDSA-N 0 0 375.222 3.245 20 30 GGEDRN N#Cc1ccc([C@@H]([NH2+]CCOc2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000739107440 600596956 /nfs/dbraw/zinc/59/69/56/600596956.db2.gz QBYDTTPGYJHRCC-MRXNPFEDSA-N 0 0 375.222 3.115 20 30 GGEDRN N#Cc1ccc([C@H](Nc2ccc(CC[NH+]3CCSCC3)cc2)C(=O)[O-])cc1 ZINC000739111983 600597117 /nfs/dbraw/zinc/59/71/17/600597117.db2.gz WZZKLIINUKMPRT-FQEVSTJZSA-N 0 0 381.501 3.387 20 30 GGEDRN N#Cc1ccc([C@@H]([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)C(=O)[O-])cc1 ZINC000739104425 600599288 /nfs/dbraw/zinc/59/92/88/600599288.db2.gz APRRMQZDFDSGRZ-CRAIPNDOSA-N 0 0 387.386 3.154 20 30 GGEDRN N#Cc1ccc([C@H]([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)C(=O)[O-])cc1 ZINC000739104429 600599356 /nfs/dbraw/zinc/59/93/56/600599356.db2.gz APRRMQZDFDSGRZ-QAPCUYQASA-N 0 0 387.386 3.154 20 30 GGEDRN N#Cc1ccc([C@@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)C(=O)[O-])cc1 ZINC000833071922 600754344 /nfs/dbraw/zinc/75/43/44/600754344.db2.gz JTNADQBYCOOIFH-CQSZACIVSA-N 0 0 399.756 3.420 20 30 GGEDRN CN(C)c1ccc(N2CCC([NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000830639334 600755310 /nfs/dbraw/zinc/75/53/10/600755310.db2.gz DLMOLOZDTISCKB-NRFANRHFSA-N 0 0 378.476 3.009 20 30 GGEDRN N#Cc1ccc([C@@H](OC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C(=O)[O-])cc1 ZINC000739112005 600803825 /nfs/dbraw/zinc/80/38/25/600803825.db2.gz XNYRSIWYLBCEAT-AZUAARDMSA-N 0 0 396.418 3.278 20 30 GGEDRN C[C@@H]1C[C@@H](NC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC[N@@H+]1C ZINC000736759020 600941241 /nfs/dbraw/zinc/94/12/41/600941241.db2.gz FVOWCVJEZUDQLL-IERDGZPVSA-N 0 0 391.471 3.389 20 30 GGEDRN N#Cc1ccc([C@H](C(=O)[O-])[N@@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)cc1 ZINC000739106107 601119421 /nfs/dbraw/zinc/11/94/21/601119421.db2.gz PSDAVKXLFOUMLY-XJKSGUPXSA-N 0 0 378.354 3.305 20 30 GGEDRN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000827217277 601132588 /nfs/dbraw/zinc/13/25/88/601132588.db2.gz BCNAWBMZMUHIHD-CABCVRRESA-N 0 0 390.509 3.094 20 30 GGEDRN Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1C(=O)[O-] ZINC000832945461 601141510 /nfs/dbraw/zinc/14/15/10/601141510.db2.gz INOSFVLPFRRRCH-UHFFFAOYSA-N 0 0 392.459 3.305 20 30 GGEDRN COc1ccc([C@@H](C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)N2CCCC2)cc1 ZINC000832241745 601297703 /nfs/dbraw/zinc/29/77/03/601297703.db2.gz YIPFGISSWUOYFH-NHCUHLMSSA-N 0 0 379.460 3.119 20 30 GGEDRN C[C@@H]([NH2+][C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000827717073 601300558 /nfs/dbraw/zinc/30/05/58/601300558.db2.gz DFMRNQLYXODYBB-YJYMSZOUSA-N 0 0 378.432 3.319 20 30 GGEDRN CCOc1ccc(C2(C[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)CCOCC2)cc1 ZINC000830064880 601301892 /nfs/dbraw/zinc/30/18/92/601301892.db2.gz YCRXKDDRNFFNPW-OAQYLSRUSA-N 0 0 394.471 3.421 20 30 GGEDRN N#Cc1cccc([C@@H]([NH2+]CCc2cc(Br)ccc2F)C(=O)[O-])c1 ZINC000833076373 601303474 /nfs/dbraw/zinc/30/34/74/601303474.db2.gz UPPNMFVMJYJPKS-MRXNPFEDSA-N 0 0 377.213 3.418 20 30 GGEDRN N#Cc1cccc([C@H]([NH2+]CCc2cc(Br)ccc2F)C(=O)[O-])c1 ZINC000833076371 601303673 /nfs/dbraw/zinc/30/36/73/601303673.db2.gz UPPNMFVMJYJPKS-INIZCTEOSA-N 0 0 377.213 3.418 20 30 GGEDRN COc1ccc(CC[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC(F)F ZINC000832304448 601303998 /nfs/dbraw/zinc/30/39/98/601303998.db2.gz OKKZJLGOYPSOOJ-QGZVFWFLSA-N 0 0 376.359 3.126 20 30 GGEDRN COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000832367458 601304325 /nfs/dbraw/zinc/30/43/25/601304325.db2.gz FIDHUDIOOFWPPN-QFBILLFUSA-N 0 0 385.851 3.214 20 30 GGEDRN N#Cc1cccc([C@H]([NH2+]CCc2ccc(Br)cc2F)C(=O)[O-])c1 ZINC000833076129 601304636 /nfs/dbraw/zinc/30/46/36/601304636.db2.gz QNRNOJMPBWTNLD-INIZCTEOSA-N 0 0 377.213 3.418 20 30 GGEDRN CCc1nc(CN2CCC(C[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cs1 ZINC000830315591 601304796 /nfs/dbraw/zinc/30/47/96/601304796.db2.gz ZGMSZLBFSRSMBJ-HXUWFJFHSA-N 0 0 398.532 3.205 20 30 GGEDRN CC1(C)CN(C2(C[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)CCCCC2)CCO1 ZINC000828074307 601304893 /nfs/dbraw/zinc/30/48/93/601304893.db2.gz FVGMZYFECJJBBK-LJQANCHMSA-N 0 0 385.508 3.087 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC ZINC000828586324 601304914 /nfs/dbraw/zinc/30/49/14/601304914.db2.gz DJNIXTUZDBZMSF-FXAWDEMLSA-N 0 0 379.416 3.163 20 30 GGEDRN N#Cc1cccc([C@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C(=O)[O-])c1 ZINC000833076671 601305749 /nfs/dbraw/zinc/30/57/49/601305749.db2.gz XUXVEWFJVXINNN-NRFANRHFSA-N 0 0 380.444 3.169 20 30 GGEDRN N#Cc1cccc([C@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)C(=O)[O-])c1 ZINC000833076712 601306448 /nfs/dbraw/zinc/30/64/48/601306448.db2.gz YEWFSQWVBPWCTB-AWEZNQCLSA-N 0 0 399.756 3.420 20 30 GGEDRN CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)ccc2NC1=O ZINC000829170546 601306964 /nfs/dbraw/zinc/30/69/64/601306964.db2.gz VUOYQXJTNAKUQP-JLBUNGTFSA-N 0 0 379.416 3.144 20 30 GGEDRN COc1ccc(Cl)cc1CN1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832367401 601310257 /nfs/dbraw/zinc/31/02/57/601310257.db2.gz CDCVPHAJBQTIST-HXUWFJFHSA-N 0 0 399.878 3.164 20 30 GGEDRN COc1ccc(Cl)cc1CN1CC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832367400 601310318 /nfs/dbraw/zinc/31/03/18/601310318.db2.gz CDCVPHAJBQTIST-FQEVSTJZSA-N 0 0 399.878 3.164 20 30 GGEDRN N#Cc1cccc([C@H](C(=O)[O-])[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000833074167 601312181 /nfs/dbraw/zinc/31/21/81/601312181.db2.gz QKFFQLMRPCOWHF-MAUKXSAKSA-N 0 0 398.850 3.083 20 30 GGEDRN N#Cc1cccc([C@H](C(=O)[O-])[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000833074422 601314500 /nfs/dbraw/zinc/31/45/00/601314500.db2.gz XOHKALKFWWXHNA-GOSISDBHSA-N 0 0 389.415 3.009 20 30 GGEDRN CN(CC1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1)C(=O)OC(C)(C)C ZINC000830718229 601315245 /nfs/dbraw/zinc/31/52/45/601315245.db2.gz OGYHVPXLSDFRAF-GOSISDBHSA-N 0 0 387.480 3.263 20 30 GGEDRN CC(=O)N1CCCCC[C@@H]1C1CC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000825834907 601317142 /nfs/dbraw/zinc/31/71/42/601317142.db2.gz ZNNBYFPLZIUHKV-RTWAWAEBSA-N 0 0 383.492 3.187 20 30 GGEDRN C[N@H+](Cc1cc2c(cc1OC(F)F)OCO2)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830811171 601320218 /nfs/dbraw/zinc/32/02/18/601320218.db2.gz QLPUTSRDIOMGIV-QGZVFWFLSA-N 0 0 390.342 3.146 20 30 GGEDRN N#Cc1cccc([C@H](C(=O)[O-])[N@@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)c1 ZINC000833073894 601322285 /nfs/dbraw/zinc/32/22/85/601322285.db2.gz JOXRKNANVUSBRH-XJKSGUPXSA-N 0 0 378.354 3.305 20 30 GGEDRN CC[C@](C)(CC(=O)[O-])[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000828656959 601554659 /nfs/dbraw/zinc/55/46/59/601554659.db2.gz BJSNKWFJYARDSO-LJQANCHMSA-N 0 0 377.510 3.450 20 30 GGEDRN CC[C@@](C)(CC(=O)[O-])[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000828658229 601555830 /nfs/dbraw/zinc/55/58/30/601555830.db2.gz SYEIACAOPVMYRF-QFIPXVFZSA-N 0 0 396.491 3.196 20 30 GGEDRN N#Cc1c(NC(=O)CC[NH+]2CCC(CCC(=O)[O-])CC2)sc2c1CCCC2 ZINC000833067923 601844640 /nfs/dbraw/zinc/84/46/40/601844640.db2.gz JBWCHHOUAUKERM-UHFFFAOYSA-N 0 0 389.521 3.404 20 30 GGEDRN Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC[C@H]2CCCO2)c1 ZINC000832933435 601850666 /nfs/dbraw/zinc/85/06/66/601850666.db2.gz BTNLFWONHTZVCX-CTNGQTDRSA-N 0 0 380.444 3.340 20 30 GGEDRN Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)c(OC[C@H]2CCCO2)c1 ZINC000832933412 601850733 /nfs/dbraw/zinc/85/07/33/601850733.db2.gz AYSCICXQLSENOJ-CTNGQTDRSA-N 0 0 380.444 3.340 20 30 GGEDRN CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccc(C(=O)[O-])cc1 ZINC000830660913 601856766 /nfs/dbraw/zinc/85/67/66/601856766.db2.gz IYYJKSFBOMLBTN-UHFFFAOYSA-N 0 0 385.851 3.417 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1C ZINC000832935897 601857440 /nfs/dbraw/zinc/85/74/40/601857440.db2.gz SMJKVUXASQGKNY-IHPCNDPISA-N 0 0 383.492 3.268 20 30 GGEDRN Cc1cc(N(CCC#N)C(=O)C[NH2+]C2(C(=O)[O-])CCCCC2)ccc1Cl ZINC000832889926 601863814 /nfs/dbraw/zinc/86/38/14/601863814.db2.gz WJOSKEXUCBAYJI-UHFFFAOYSA-N 0 0 377.872 3.272 20 30 GGEDRN C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727397 601901366 /nfs/dbraw/zinc/90/13/66/601901366.db2.gz RRBRWYQMGPMWGY-OAHLLOKOSA-N 0 0 397.378 3.123 20 30 GGEDRN COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000831860797 601901392 /nfs/dbraw/zinc/90/13/92/601901392.db2.gz CLZPZSMTWUBKFH-GOSISDBHSA-N 0 0 394.349 3.121 20 30 GGEDRN COc1cc(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)ccc1OCc1cccc(C#N)c1 ZINC000831995786 601936479 /nfs/dbraw/zinc/93/64/79/601936479.db2.gz OYYSQZVVZHUCEC-JOCHJYFZSA-N 0 0 380.444 3.442 20 30 GGEDRN COc1ccc(CSCCCOc2cccc(-c3nn[nH]n3)c2)cc1C#N ZINC000826208061 607536281 /nfs/dbraw/zinc/53/62/81/607536281.db2.gz QYXRXMXBBWALMI-UHFFFAOYSA-N 0 0 381.461 3.449 20 30 GGEDRN C#CCC[NH+]1CCC(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000825608735 602016522 /nfs/dbraw/zinc/01/65/22/602016522.db2.gz IHFODDIKYVAYTK-UHFFFAOYSA-N 0 0 383.370 3.013 20 30 GGEDRN C=C(C)Cn1c(-c2ccncc2)nn(CN2CCCC[C@@H]2CC(=O)[O-])c1=S ZINC000825647898 602189789 /nfs/dbraw/zinc/18/97/89/602189789.db2.gz XBSSEZITOAAWPM-MRXNPFEDSA-N 0 0 387.509 3.339 20 30 GGEDRN C=CCn1c(-c2cccs2)nn(CN(C[C@H](C)C(=O)[O-])C2CC2)c1=S ZINC000825706038 602191995 /nfs/dbraw/zinc/19/19/95/602191995.db2.gz XTUOSEOXIVOYRF-LBPRGKRZSA-N 0 0 378.523 3.471 20 30 GGEDRN C=CCn1c(-c2cccs2)nn(CN(C[C@@H](C)C(=O)[O-])C2CC2)c1=S ZINC000825706036 602192227 /nfs/dbraw/zinc/19/22/27/602192227.db2.gz XTUOSEOXIVOYRF-GFCCVEGCSA-N 0 0 378.523 3.471 20 30 GGEDRN C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CC1 ZINC000825642272 602228773 /nfs/dbraw/zinc/22/87/73/602228773.db2.gz MGOKFJAYLMEQDB-UHFFFAOYSA-N 0 0 397.475 3.465 20 30 GGEDRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000827687365 602244349 /nfs/dbraw/zinc/24/43/49/602244349.db2.gz KWJGTAJPLZRUHY-JCGIZDLHSA-N 0 0 387.480 3.309 20 30 GGEDRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000827687641 602244893 /nfs/dbraw/zinc/24/48/93/602244893.db2.gz MQYLEMMGYGPUBM-QGTPRVQTSA-N 0 0 387.480 3.309 20 30 GGEDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000826246049 607688001 /nfs/dbraw/zinc/68/80/01/607688001.db2.gz PRTPNXDHUHJTTA-HNNXBMFYSA-N 0 0 386.337 3.189 20 30 GGEDRN CC(C)[NH+]1CCN(c2cccc(N[C@@H](C(=O)[O-])c3ccc(C#N)cc3)c2)CC1 ZINC000833499929 604507025 /nfs/dbraw/zinc/50/70/25/604507025.db2.gz RZOPRCBZIRSBBN-OAQYLSRUSA-N 0 0 378.476 3.326 20 30 GGEDRN CC(C)c1cnc(CN(C)[C@@H]2CCN(Cc3cccc(C(=O)[O-])c3C#N)C2)o1 ZINC000833511609 604609759 /nfs/dbraw/zinc/60/97/59/604609759.db2.gz ZTFXRLMZTYADRW-MRXNPFEDSA-N 0 0 382.464 3.074 20 30 GGEDRN C[C@@H](Oc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1)C(=O)[O-] ZINC000833537966 604632970 /nfs/dbraw/zinc/63/29/70/604632970.db2.gz AFEBUQAPXVZQQM-MRXNPFEDSA-N 0 0 380.444 3.454 20 30 GGEDRN Cc1cc(Oc2ccc(-c3nn[nH]n3)cc2)ccc1NC(=O)c1ccc(C#N)[nH]1 ZINC000826272226 607706042 /nfs/dbraw/zinc/70/60/42/607706042.db2.gz ZJUAUPZEMOCASS-UHFFFAOYSA-N 0 0 385.387 3.420 20 30 GGEDRN C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])cc1OC ZINC000833377936 604660280 /nfs/dbraw/zinc/66/02/80/604660280.db2.gz RHWUELROOLZWHD-CYBMUJFWSA-N 0 0 384.270 3.462 20 30 GGEDRN C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824498349 607709843 /nfs/dbraw/zinc/70/98/43/607709843.db2.gz FLOUANALYDPYRM-KDOFPFPSSA-N 0 0 375.436 3.272 20 30 GGEDRN C#CCNC(=S)C(C(=O)c1cccc(C(=O)[O-])c1)[n+]1ccc(CCC)cc1 ZINC000833365237 604742034 /nfs/dbraw/zinc/74/20/34/604742034.db2.gz FKLYXAPVJAHHGN-UHFFFAOYSA-O 0 0 381.477 3.059 20 30 GGEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)c1C#N ZINC000832849597 604746118 /nfs/dbraw/zinc/74/61/18/604746118.db2.gz LBNPAKJMVHFXAB-CYBMUJFWSA-N 0 0 386.496 3.215 20 30 GGEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)c1C#N ZINC000832850026 604746288 /nfs/dbraw/zinc/74/62/88/604746288.db2.gz XISMMONLSNZDNI-CQSZACIVSA-N 0 0 394.475 3.089 20 30 GGEDRN N#Cc1ccc(-c2nnc(C[N@@H+](CCCC(=O)[O-])Cc3ccccc3)o2)cc1 ZINC000833071207 604783499 /nfs/dbraw/zinc/78/34/99/604783499.db2.gz YLIZKJVIGGBYTR-UHFFFAOYSA-N 0 0 376.416 3.475 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833375683 604944480 /nfs/dbraw/zinc/94/44/80/604944480.db2.gz CZYYCEYFJCXGJG-CVEARBPZSA-N 0 0 378.538 3.474 20 30 GGEDRN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000833417760 604947513 /nfs/dbraw/zinc/94/75/13/604947513.db2.gz XIYJNJHBYIPAPN-HNNXBMFYSA-N 0 0 391.899 3.409 20 30 GGEDRN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000833420998 604953071 /nfs/dbraw/zinc/95/30/71/604953071.db2.gz GGNMDXXDNYSBNE-HOTGVXAUSA-N 0 0 392.459 3.046 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H]3CC(=O)[O-])sc2C1 ZINC000833617203 604967469 /nfs/dbraw/zinc/96/74/69/604967469.db2.gz OIXNACXZQHBVBZ-OLZOCXBDSA-N 0 0 375.494 3.012 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]([C@H](C(=O)[O-])c3cccc(C#N)c3)C2)CC1 ZINC000833436544 605019741 /nfs/dbraw/zinc/01/97/41/605019741.db2.gz KDKLKYUCIDXNEL-SFHVURJKSA-N 0 0 399.491 3.407 20 30 GGEDRN CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833654593 605047069 /nfs/dbraw/zinc/04/70/69/605047069.db2.gz WLLIUVFRSFAVKF-OAQYLSRUSA-N 0 0 378.476 3.317 20 30 GGEDRN C#CC[C@@H]([NH2+]CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C)c1ccccc1 ZINC000833360916 605134197 /nfs/dbraw/zinc/13/41/97/605134197.db2.gz SEXXWEMHOATVGK-NQIIRXRSSA-N 0 0 389.455 3.076 20 30 GGEDRN C#CC[C@H]([NH2+]CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C)c1ccccc1 ZINC000833360917 605134381 /nfs/dbraw/zinc/13/43/81/605134381.db2.gz SEXXWEMHOATVGK-RXVVDRJESA-N 0 0 389.455 3.076 20 30 GGEDRN C#CC[C@H]([NH2+]CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C)c1ccccc1 ZINC000833360915 605134486 /nfs/dbraw/zinc/13/44/86/605134486.db2.gz SEXXWEMHOATVGK-GHTZIAJQSA-N 0 0 389.455 3.076 20 30 GGEDRN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833437652 605221827 /nfs/dbraw/zinc/22/18/27/605221827.db2.gz UULGUKHKXGVICO-SQNIBIBYSA-N 0 0 385.464 3.158 20 30 GGEDRN CC[C@H](C)[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000833638951 605224354 /nfs/dbraw/zinc/22/43/54/605224354.db2.gz LRTJDKDIBHHJKB-DMPWYTOCSA-N 0 0 393.487 3.491 20 30 GGEDRN CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000833638954 605224656 /nfs/dbraw/zinc/22/46/56/605224656.db2.gz LRTJDKDIBHHJKB-WCJKSRRJSA-N 0 0 393.487 3.491 20 30 GGEDRN N#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[nH]n3)c(F)c2)[nH]1 ZINC000826384060 607745112 /nfs/dbraw/zinc/74/51/12/607745112.db2.gz FCEQVIVFCVWBEI-UHFFFAOYSA-N 0 0 389.350 3.250 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC(C)(C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000833565457 605364964 /nfs/dbraw/zinc/36/49/64/605364964.db2.gz AIVFEOBXGHOQRP-QGZVFWFLSA-N 0 0 387.480 3.311 20 30 GGEDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)C[C@H]21 ZINC000833439326 605428204 /nfs/dbraw/zinc/42/82/04/605428204.db2.gz QVIKCUFYRAORNQ-NCXUSEDFSA-N 0 0 399.491 3.309 20 30 GGEDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+]([C@H](C(=O)[O-])c3cccc(C#N)c3)C[C@@H]21 ZINC000833439321 605428482 /nfs/dbraw/zinc/42/84/82/605428482.db2.gz QVIKCUFYRAORNQ-HCXYKTFWSA-N 0 0 399.491 3.309 20 30 GGEDRN N#Cc1cccc(-c2csc(NC(=O)Cc3cccc(-c4nn[nH]n4)c3)n2)c1 ZINC000826386619 607769588 /nfs/dbraw/zinc/76/95/88/607769588.db2.gz MFUMPBSVXOALEX-UHFFFAOYSA-N 0 0 387.428 3.043 20 30 GGEDRN N#CCc1cccc(C(=O)Nc2nc(-c3cccc(-c4nn[nH]n4)c3)cs2)c1 ZINC000826382472 607770443 /nfs/dbraw/zinc/77/04/43/607770443.db2.gz GIBXAOBNMRDQOD-UHFFFAOYSA-N 0 0 387.428 3.309 20 30 GGEDRN N#Cc1cc2ccccc2nc1N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000822823663 606048865 /nfs/dbraw/zinc/04/88/65/606048865.db2.gz XCFXWQBGVPDOJH-UHFFFAOYSA-N 0 0 396.458 3.003 20 30 GGEDRN 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/nfs/dbraw/zinc/39/16/36/1400391636.db2.gz YHRPCCNWVDZBQT-UHFFFAOYSA-N 0 0 385.471 3.092 20 30 GGEDRN C=CCn1c(SCc2nnnn2Cc2ccccc2)nnc1-c1ccco1 ZINC000029991281 1400393736 /nfs/dbraw/zinc/39/37/36/1400393736.db2.gz WFQLOPZCMHPPMJ-UHFFFAOYSA-N 0 0 379.449 3.051 20 30 GGEDRN C=CCn1c(SCC(=O)NCCOc2ccccc2)nnc1-c1ccco1 ZINC000029991050 1400393883 /nfs/dbraw/zinc/39/38/83/1400393883.db2.gz TZCXYGKIYRPAEY-UHFFFAOYSA-N 0 0 384.461 3.011 20 30 GGEDRN CC(C)(C)n1nc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1C1CC1 ZINC000042737685 1400406116 /nfs/dbraw/zinc/40/61/16/1400406116.db2.gz CKKUXPVAOQCRDF-UHFFFAOYSA-N 0 0 391.519 3.345 20 30 GGEDRN CCN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042742095 1400406738 /nfs/dbraw/zinc/40/67/38/1400406738.db2.gz WXYDYQIASSYUHJ-INIZCTEOSA-N 0 0 390.487 3.472 20 30 GGEDRN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741353 1400406918 /nfs/dbraw/zinc/40/69/18/1400406918.db2.gz LZLXCFAWDIEQOB-CQSZACIVSA-N 0 0 392.459 3.395 20 30 GGEDRN CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000042741701 1400407197 /nfs/dbraw/zinc/40/71/97/1400407197.db2.gz QUWGDHQUAUIISM-CQSZACIVSA-N 0 0 382.420 3.497 20 30 GGEDRN CCN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741686 1400407222 /nfs/dbraw/zinc/40/72/22/1400407222.db2.gz ZSGDLHATSSHVRD-INIZCTEOSA-N 0 0 378.476 3.282 20 30 GGEDRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000042745901 1400408031 /nfs/dbraw/zinc/40/80/31/1400408031.db2.gz OGPDZWGBXHKHRH-UHFFFAOYSA-N 0 0 398.463 3.341 20 30 GGEDRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)S(=O)(=O)c1cccc(C#N)c1 ZINC000042745920 1400408039 /nfs/dbraw/zinc/40/80/39/1400408039.db2.gz NIWLDJWBERVPSW-UHFFFAOYSA-N 0 0 398.463 3.341 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)CNc1cc(Cl)ccc1C(=O)N1CCCCC1 ZINC000055851838 1407103485 /nfs/dbraw/zinc/10/34/85/1407103485.db2.gz XYEBWXCLFYHRNL-FQEVSTJZSA-N 0 0 390.915 3.432 20 30 GGEDRN N#Cc1ccc(Sc2nnc(CN3CCCC3)n2Cc2ccccc2)nc1 ZINC000042848322 1400421059 /nfs/dbraw/zinc/42/10/59/1400421059.db2.gz HSMGCIGNLFMUPZ-UHFFFAOYSA-N 0 0 376.489 3.340 20 30 GGEDRN N#CCOc1ccc(NC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)cc1 ZINC000042869650 1400426265 /nfs/dbraw/zinc/42/62/65/1400426265.db2.gz KQBUQTYAZJAFFT-UHFFFAOYSA-N 0 0 392.459 3.340 20 30 GGEDRN N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1 ZINC000042889066 1400427939 /nfs/dbraw/zinc/42/79/39/1400427939.db2.gz CSSHEHFHQKKEMS-NRFANRHFSA-N 0 0 389.455 3.020 20 30 GGEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000042918436 1400429942 /nfs/dbraw/zinc/42/99/42/1400429942.db2.gz NSPCGIFAHLSCOV-SNVBAGLBSA-N 0 0 377.303 3.474 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NCCCOc2ccc(C#N)cc2)cc1 ZINC000055863123 1407107286 /nfs/dbraw/zinc/10/72/86/1407107286.db2.gz GYWBGEDEDYCJLJ-UHFFFAOYSA-N 0 0 385.489 3.246 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000055863689 1407108191 /nfs/dbraw/zinc/10/81/91/1407108191.db2.gz WWFQPBRZWXCINH-UHFFFAOYSA-N 0 0 387.505 3.161 20 30 GGEDRN Cc1ccc(C(=O)NCC(F)(F)F)cc1NCC(=O)Nc1cccc(C#N)c1 ZINC000055860207 1407105918 /nfs/dbraw/zinc/10/59/18/1407105918.db2.gz UGLWTZWBIDSSBS-UHFFFAOYSA-N 0 0 390.365 3.209 20 30 GGEDRN CC(C)CNC(=O)c1ccc(NCC(=O)N[C@](C)(C#N)C(C)C)cc1Cl ZINC000055886172 1407118019 /nfs/dbraw/zinc/11/80/19/1407118019.db2.gz ZDULWPZZHHLUMO-LJQANCHMSA-N 0 0 378.904 3.192 20 30 GGEDRN CN(C(=O)c1ccccc1NCC(=O)N[C@](C)(C#N)C1CC1)C1CCCCC1 ZINC000055890531 1407119758 /nfs/dbraw/zinc/11/97/58/1407119758.db2.gz YYQUIDQLUSCQJX-JOCHJYFZSA-N 0 0 382.508 3.312 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)CCn1ncc(=O)c2ccccc21 ZINC000055891523 1407120431 /nfs/dbraw/zinc/12/04/31/1407120431.db2.gz VJIPKTXPPLEJKE-UHFFFAOYSA-N 0 0 377.444 3.010 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000055891069 1407120441 /nfs/dbraw/zinc/12/04/41/1407120441.db2.gz QLWWXIBJPBMBAG-UHFFFAOYSA-N 0 0 389.455 3.129 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000055891366 1407120726 /nfs/dbraw/zinc/12/07/26/1407120726.db2.gz RHHGXBCWOLEEOT-UHFFFAOYSA-N 0 0 384.388 3.218 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@H](NC(N)=O)c1cccc(C)c1 ZINC000055891742 1407120984 /nfs/dbraw/zinc/12/09/84/1407120984.db2.gz FIFUQCNYKDXGLT-FQEVSTJZSA-N 0 0 381.476 3.318 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000055891639 1407121166 /nfs/dbraw/zinc/12/11/66/1407121166.db2.gz WARZJYSONKONLP-INIZCTEOSA-N 0 0 380.444 3.024 20 30 GGEDRN C=CCn1c(C)cc(C(=O)CN2CCN(C(=O)c3ccc(C)s3)CC2)c1C ZINC000055930129 1407136588 /nfs/dbraw/zinc/13/65/88/1407136588.db2.gz VIAOFNYWPKBKMC-UHFFFAOYSA-N 0 0 385.533 3.302 20 30 GGEDRN COc1ccccc1CN(C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055956213 1407148390 /nfs/dbraw/zinc/14/83/90/1407148390.db2.gz OOXIGZADVOWZAK-UHFFFAOYSA-N 0 0 384.379 3.406 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccccc1OC(C)C ZINC000055957243 1407149386 /nfs/dbraw/zinc/14/93/86/1407149386.db2.gz IMGKZFCZIAYKKL-UHFFFAOYSA-N 0 0 391.475 3.254 20 30 GGEDRN Cc1cccc(OCCNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000055974836 1407155208 /nfs/dbraw/zinc/15/52/08/1407155208.db2.gz XKAPZLOQUFIQOJ-UHFFFAOYSA-N 0 0 384.379 3.243 20 30 GGEDRN CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055976876 1407156922 /nfs/dbraw/zinc/15/69/22/1407156922.db2.gz PKKZFIZBBWIVER-UHFFFAOYSA-N 0 0 398.362 3.126 20 30 GGEDRN N#Cc1ccc(CCC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1 ZINC000055987067 1407160026 /nfs/dbraw/zinc/16/00/26/1407160026.db2.gz KJRLNEDAHPNLTK-UHFFFAOYSA-N 0 0 384.439 3.455 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C(C)C)c1 ZINC000055988863 1407162274 /nfs/dbraw/zinc/16/22/74/1407162274.db2.gz UYYIGKBWAMWTGR-LJQANCHMSA-N 0 0 390.480 3.417 20 30 GGEDRN CC(=O)Nc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000056012184 1407171074 /nfs/dbraw/zinc/17/10/74/1407171074.db2.gz FDGQQCOVOWSXOM-UHFFFAOYSA-N 0 0 397.378 3.014 20 30 GGEDRN CC(C)[C@H](C(=O)Nc1cccc(OCC#N)c1)n1nnc(-c2ccccc2)n1 ZINC000056013704 1407172141 /nfs/dbraw/zinc/17/21/41/1407172141.db2.gz JRFKAIKBKHANGM-GOSISDBHSA-N 0 0 376.420 3.078 20 30 GGEDRN N#Cc1ccc(Oc2ccc(NC(=O)CN3CSCC3=O)cc2Cl)cc1 ZINC000056036785 1407177835 /nfs/dbraw/zinc/17/78/35/1407177835.db2.gz PKVCTEZTQJOALA-UHFFFAOYSA-N 0 0 387.848 3.475 20 30 GGEDRN COC(=O)C1=C(C(=O)c2cccs2)[C@@H](c2cc(F)ccc2F)NC(=S)N1 ZINC000056045815 1407181995 /nfs/dbraw/zinc/18/19/95/1407181995.db2.gz SUVMTYOPTXHPCE-CYBMUJFWSA-N 0 0 394.424 3.266 20 30 GGEDRN COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2cc(F)ccc2F)NC(=S)N1 ZINC000056045814 1407182483 /nfs/dbraw/zinc/18/24/83/1407182483.db2.gz SUVMTYOPTXHPCE-ZDUSSCGKSA-N 0 0 394.424 3.266 20 30 GGEDRN Cn1nc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1=O ZINC000056036717 1407178274 /nfs/dbraw/zinc/17/82/74/1407178274.db2.gz QCYGTWPPAXRCNB-UHFFFAOYSA-N 0 0 380.791 3.350 20 30 GGEDRN N#CCOc1ccc(/C=C/C(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1 ZINC000056039290 1407178557 /nfs/dbraw/zinc/17/85/57/1407178557.db2.gz LXXKTGVHNSZCRC-BJMVGYQFSA-N 0 0 391.471 3.116 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000056040941 1407179876 /nfs/dbraw/zinc/17/98/76/1407179876.db2.gz KVAHDSIVDZBWIT-UHFFFAOYSA-N 0 0 388.342 3.073 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCc2ccnc(OCc3ccccc3)c2)cc1 ZINC000056060850 1407185452 /nfs/dbraw/zinc/18/54/52/1407185452.db2.gz KFTZJXCJVJGGJY-UHFFFAOYSA-N 0 0 379.441 3.011 20 30 GGEDRN CC(C)Oc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cn1 ZINC000056074041 1407191974 /nfs/dbraw/zinc/19/19/74/1407191974.db2.gz VEKPDROAXRLNEV-UHFFFAOYSA-N 0 0 399.394 3.238 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)OC)ccc1C ZINC000056067622 1407188552 /nfs/dbraw/zinc/18/85/52/1407188552.db2.gz WEXCXYIHMBNEKQ-UHFFFAOYSA-N 0 0 386.473 3.254 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000056067670 1407188772 /nfs/dbraw/zinc/18/87/72/1407188772.db2.gz NMMKFWSMJAKCIU-UHFFFAOYSA-N 0 0 397.500 3.286 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000056067626 1407188825 /nfs/dbraw/zinc/18/88/25/1407188825.db2.gz UABMJTXOXUUZHZ-UHFFFAOYSA-N 0 0 392.452 3.315 20 30 GGEDRN COc1cccc(CCNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000056068636 1407189570 /nfs/dbraw/zinc/18/95/70/1407189570.db2.gz VBHFNGHPLKQRJY-UHFFFAOYSA-N 0 0 384.379 3.107 20 30 GGEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000056092260 1407199492 /nfs/dbraw/zinc/19/94/92/1407199492.db2.gz SMYGTDSYEPUPIQ-LJQANCHMSA-N 0 0 379.395 3.320 20 30 GGEDRN COc1ccc(Oc2cc(CNS(=O)(=O)c3cccc(C#N)c3)ccn2)cc1 ZINC000056100849 1407203362 /nfs/dbraw/zinc/20/33/62/1407203362.db2.gz SYXLDHFJQLLTLD-UHFFFAOYSA-N 0 0 395.440 3.233 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2F)c1 ZINC000056105875 1407206356 /nfs/dbraw/zinc/20/63/56/1407206356.db2.gz KNSFSVWWTLRESC-AWEZNQCLSA-N 0 0 376.453 3.123 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1 ZINC000056106130 1407206583 /nfs/dbraw/zinc/20/65/83/1407206583.db2.gz VOLDYWPLVQYDDO-CYBMUJFWSA-N 0 0 394.443 3.262 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@H](C)c2ccccc2F)c1 ZINC000056105876 1407206626 /nfs/dbraw/zinc/20/66/26/1407206626.db2.gz KNSFSVWWTLRESC-CQSZACIVSA-N 0 0 376.453 3.123 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCN(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000056102243 1407204319 /nfs/dbraw/zinc/20/43/19/1407204319.db2.gz WHODXHRIJPNPTA-HXUWFJFHSA-N 0 0 391.471 3.211 20 30 GGEDRN CCCS(=O)(=O)CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000056102399 1407204767 /nfs/dbraw/zinc/20/47/67/1407204767.db2.gz UJTVMYABPMOPQF-UHFFFAOYSA-N 0 0 386.473 3.095 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCCc2c(F)cccc2F)c(C(F)(F)F)c1 ZINC000056105426 1407205598 /nfs/dbraw/zinc/20/55/98/1407205598.db2.gz KVSPORVDRUXTAS-UHFFFAOYSA-N 0 0 390.333 3.376 20 30 GGEDRN Cn1c(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc2ccccc21 ZINC000056116886 1407211333 /nfs/dbraw/zinc/21/13/33/1407211333.db2.gz CEVJLTMXIMFXFU-UHFFFAOYSA-N 0 0 398.470 3.180 20 30 GGEDRN C[C@H](Nc1ccc(N2C(=O)CCCC2=O)cc1)C(=O)Nc1ccccc1C#N ZINC000056144916 1407225221 /nfs/dbraw/zinc/22/52/21/1407225221.db2.gz MTPIOFCOYGGTPR-AWEZNQCLSA-N 0 0 376.416 3.041 20 30 GGEDRN C[C@H](Nc1ccc(CC(=O)N(C)C)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000056171324 1407239475 /nfs/dbraw/zinc/23/94/75/1407239475.db2.gz RMXOBJUAHSNVPM-ZDUSSCGKSA-N 0 0 384.867 3.281 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N([C@@H](C)c1ccco1)C1CC1 ZINC000056183438 1407243876 /nfs/dbraw/zinc/24/38/76/1407243876.db2.gz MUFXYEUMMZFQAM-HNNXBMFYSA-N 0 0 377.448 3.496 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000056212883 1407254024 /nfs/dbraw/zinc/25/40/24/1407254024.db2.gz XNGDLEOZZDMUBG-HNNXBMFYSA-N 0 0 381.407 3.476 20 30 GGEDRN CCN(CC)C(=O)N1CCC(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000056213747 1407255137 /nfs/dbraw/zinc/25/51/37/1407255137.db2.gz HYRZJJHTTZESBC-UHFFFAOYSA-N 0 0 386.496 3.458 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)CCn1ncc(=O)c2ccccc21 ZINC000056212912 1407253603 /nfs/dbraw/zinc/25/36/03/1407253603.db2.gz IADBQGKANDEUFE-UHFFFAOYSA-N 0 0 376.416 3.084 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000056212542 1407253626 /nfs/dbraw/zinc/25/36/26/1407253626.db2.gz HZTFUYGWTMMVNP-UHFFFAOYSA-N 0 0 396.403 3.012 20 30 GGEDRN CCN(C(=O)CNC(=O)NCc1ccc(F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000056222449 1407258584 /nfs/dbraw/zinc/25/85/84/1407258584.db2.gz UOHCYAJQURURHU-OAHLLOKOSA-N 0 0 382.439 3.106 20 30 GGEDRN CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000056225790 1407260278 /nfs/dbraw/zinc/26/02/78/1407260278.db2.gz KJTMIIVORFMSHS-UHFFFAOYSA-N 0 0 378.453 3.289 20 30 GGEDRN O=C(OCC#Cc1ccccc1)c1ccccc1S(=O)(=O)N1CCCCC1 ZINC000056232024 1407262772 /nfs/dbraw/zinc/26/27/72/1407262772.db2.gz WFBNUGXTLLIXLQ-UHFFFAOYSA-N 0 0 383.469 3.070 20 30 GGEDRN C[C@@H](SCCOc1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000056262880 1407270174 /nfs/dbraw/zinc/27/01/74/1407270174.db2.gz XRKHNRVOSMTSGI-CQSZACIVSA-N 0 0 384.457 3.469 20 30 GGEDRN CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)c2cccc(CC#N)c2)c1 ZINC000056265807 1407271880 /nfs/dbraw/zinc/27/18/80/1407271880.db2.gz GRNDQNYRYMCVSW-UHFFFAOYSA-N 0 0 385.489 3.223 20 30 GGEDRN COc1c(Cl)cccc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000056286594 1407280405 /nfs/dbraw/zinc/28/04/05/1407280405.db2.gz MLYDSSQIMBUXGM-UHFFFAOYSA-N 0 0 383.839 3.451 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](NC(C)=O)C2CCCC2)cc1 ZINC000056300540 1407289334 /nfs/dbraw/zinc/28/93/34/1407289334.db2.gz NMBZOQAPOATDRT-FQEVSTJZSA-N 0 0 383.492 3.134 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2c(C)nn(C)c2C)cc1 ZINC000056300596 1407289374 /nfs/dbraw/zinc/28/93/74/1407289374.db2.gz XUTXWLWAYIPZEB-UHFFFAOYSA-N 0 0 380.492 3.422 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 ZINC000056300939 1407289677 /nfs/dbraw/zinc/28/96/77/1407289677.db2.gz IEWOGLJFMITBTF-HXUWFJFHSA-N 0 0 390.439 3.221 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 ZINC000056300938 1407290103 /nfs/dbraw/zinc/29/01/03/1407290103.db2.gz IEWOGLJFMITBTF-FQEVSTJZSA-N 0 0 390.439 3.221 20 30 GGEDRN CO/N=C/c1ccc(C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000056302905 1407290815 /nfs/dbraw/zinc/29/08/15/1407290815.db2.gz RELFHTIZCJXOQA-HZHRSRAPSA-N 0 0 399.878 3.309 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000056300195 1407288898 /nfs/dbraw/zinc/28/88/98/1407288898.db2.gz ITPCIWFKENEXEI-UHFFFAOYSA-N 0 0 398.394 3.383 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)CSc2nncn2C(C)C)cc1 ZINC000056300663 1407288976 /nfs/dbraw/zinc/28/89/76/1407288976.db2.gz SXVRDTBXAYFKAW-UHFFFAOYSA-N 0 0 399.520 3.404 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)cc1 ZINC000056300769 1407289020 /nfs/dbraw/zinc/28/90/20/1407289020.db2.gz QZQBOXFCNWPACG-LJQANCHMSA-N 0 0 397.519 3.476 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000056300497 1407289048 /nfs/dbraw/zinc/28/90/48/1407289048.db2.gz WGCXTFSYOMEBHQ-UHFFFAOYSA-N 0 0 398.484 3.157 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1 ZINC000056300341 1407289185 /nfs/dbraw/zinc/28/91/85/1407289185.db2.gz LFLULOHMNKKBFZ-UHFFFAOYSA-N 0 0 398.484 3.157 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(NC(N)=O)cc2)cc1 ZINC000056300274 1407289198 /nfs/dbraw/zinc/28/91/98/1407289198.db2.gz YHYFYONBAVWQMM-UHFFFAOYSA-N 0 0 378.432 3.244 20 30 GGEDRN C=CCOc1cccc(NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)c1 ZINC000056337519 1407302877 /nfs/dbraw/zinc/30/28/77/1407302877.db2.gz OJNQIJKVQFJNGT-UHFFFAOYSA-N 0 0 392.452 3.330 20 30 GGEDRN N#Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000056353092 1407308372 /nfs/dbraw/zinc/30/83/72/1407308372.db2.gz BKBJPKYWWFXTTN-CQSZACIVSA-N 0 0 383.839 3.489 20 30 GGEDRN N#Cc1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000056353159 1407308489 /nfs/dbraw/zinc/30/84/89/1407308489.db2.gz CZGVXEFSCDWTBV-UHFFFAOYSA-N 0 0 383.839 3.489 20 30 GGEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000056382136 1407315637 /nfs/dbraw/zinc/31/56/37/1407315637.db2.gz WCOBZNRVYJLOCS-UHFFFAOYSA-N 0 0 380.753 3.465 20 30 GGEDRN CC(C)CCSCC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N ZINC000056392747 1407318469 /nfs/dbraw/zinc/31/84/69/1407318469.db2.gz QJTTYOPVARNQEF-UHFFFAOYSA-N 0 0 385.537 3.154 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000056401589 1407321421 /nfs/dbraw/zinc/32/14/21/1407321421.db2.gz ANDBAEALMWDMMZ-ZDUSSCGKSA-N 0 0 387.386 3.268 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC000056412223 1407324808 /nfs/dbraw/zinc/32/48/08/1407324808.db2.gz LOWLMEFCRIGNCQ-MGPUTAFESA-N 0 0 377.444 3.251 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)c1ccc(CNC(=O)Cc2ccc(OC)cc2)cc1 ZINC000056412489 1407324844 /nfs/dbraw/zinc/32/48/44/1407324844.db2.gz MWDPWEZMOSLXIF-KRWDZBQOSA-N 0 0 393.487 3.176 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000056411589 1407324863 /nfs/dbraw/zinc/32/48/63/1407324863.db2.gz FRWRVDGPIIUHHC-CABCVRRESA-N 0 0 393.434 3.148 20 30 GGEDRN COc1cccc(CCNC(=O)NCCSCc2ccccc2C#N)c1OC ZINC000056423513 1407327571 /nfs/dbraw/zinc/32/75/71/1407327571.db2.gz UWFLJTRJDLKEPN-UHFFFAOYSA-N 0 0 399.516 3.351 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000056409726 1407323203 /nfs/dbraw/zinc/32/32/03/1407323203.db2.gz KGZYEJITHGTVFH-MRXNPFEDSA-N 0 0 399.516 3.095 20 30 GGEDRN O=C(CNC(=O)NC1CCCCC1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000056407168 1407323541 /nfs/dbraw/zinc/32/35/41/1407323541.db2.gz QNQSDZQYCWWJSD-UHFFFAOYSA-N 0 0 376.460 3.052 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O ZINC000056410087 1407324064 /nfs/dbraw/zinc/32/40/64/1407324064.db2.gz OGGFZLFEXYYEFJ-LBPRGKRZSA-N 0 0 392.381 3.182 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC000056412219 1407324468 /nfs/dbraw/zinc/32/44/68/1407324468.db2.gz LOWLMEFCRIGNCQ-YWZLYKJASA-N 0 0 377.444 3.251 20 30 GGEDRN O=C(NCC#Cc1ccccc1)NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000056466981 1407340535 /nfs/dbraw/zinc/34/05/35/1407340535.db2.gz PJJSBCOZYUYXMK-UHFFFAOYSA-N 0 0 384.439 3.185 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC000056477499 1407342901 /nfs/dbraw/zinc/34/29/01/1407342901.db2.gz OXYJCJHMYYREFC-UHFFFAOYSA-N 0 0 396.472 3.374 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000056477064 1407343180 /nfs/dbraw/zinc/34/31/80/1407343180.db2.gz JTCUDRPLVRCPGN-UHFFFAOYSA-N 0 0 388.383 3.052 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)Cn1cc(C(=O)OC)c2ccccc21 ZINC000056476740 1407343218 /nfs/dbraw/zinc/34/32/18/1407343218.db2.gz JDSNIWABPQRXHQ-UHFFFAOYSA-N 0 0 377.400 3.337 20 30 GGEDRN CCCN(CC#N)C(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000056484349 1407346138 /nfs/dbraw/zinc/34/61/38/1407346138.db2.gz RECKULNOCXVXLY-UHFFFAOYSA-N 0 0 389.452 3.311 20 30 GGEDRN N#CCCN(Cc1cccnc1)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000042910556 1403672647 /nfs/dbraw/zinc/67/26/47/1403672647.db2.gz QZWPAVXDLSVYBL-UHFFFAOYSA-N 0 0 389.242 3.358 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(N3CCNC3=O)c2)cc1 ZINC000056499296 1407348864 /nfs/dbraw/zinc/34/88/64/1407348864.db2.gz PJJLGGJYMSKYDC-UHFFFAOYSA-N 0 0 394.435 3.168 20 30 GGEDRN C=CCn1c(C)nnc1S[C@H](C(=O)Nc1cccc(NC(C)=O)c1)C(C)C ZINC000042977301 1403680581 /nfs/dbraw/zinc/68/05/81/1403680581.db2.gz ZLGNTQZVTCAYTI-KRWDZBQOSA-N 0 0 387.509 3.486 20 30 GGEDRN COc1ccc(S(=O)(=O)N(CCC#N)Cc2cccnc2)c2ccccc12 ZINC000042986244 1403684428 /nfs/dbraw/zinc/68/44/28/1403684428.db2.gz NWPFPFCYARSZAW-UHFFFAOYSA-N 0 0 381.457 3.348 20 30 GGEDRN CC(C)CC[C@@H](C)NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N ZINC000042998909 1403687317 /nfs/dbraw/zinc/68/73/17/1403687317.db2.gz GBEYVBCEDMBWEV-MRXNPFEDSA-N 0 0 382.512 3.383 20 30 GGEDRN C[C@@H]1CCC[C@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)[C@@H]1C ZINC000043041453 1403695515 /nfs/dbraw/zinc/69/55/15/1403695515.db2.gz VEVZBBZMVDHFHR-MDZRGWNJSA-N 0 0 394.523 3.383 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000043141560 1403716529 /nfs/dbraw/zinc/71/65/29/1403716529.db2.gz GFLONAIODULKFH-QFIPXVFZSA-N 0 0 379.504 3.285 20 30 GGEDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000043148751 1403720469 /nfs/dbraw/zinc/72/04/69/1403720469.db2.gz LGGHVQGCNOMISP-UHFFFAOYSA-N 0 0 383.383 3.268 20 30 GGEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)Nc1cc(F)ccc1F ZINC000043234665 1403731778 /nfs/dbraw/zinc/73/17/78/1403731778.db2.gz GSYYAYDZAINZLY-UHFFFAOYSA-N 0 0 396.401 3.359 20 30 GGEDRN CC(=O)NCc1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1 ZINC000043243277 1403733662 /nfs/dbraw/zinc/73/36/62/1403733662.db2.gz WELXXLKHGRSRTB-UHFFFAOYSA-N 0 0 389.377 3.399 20 30 GGEDRN N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000043243282 1403733726 /nfs/dbraw/zinc/73/37/26/1403733726.db2.gz ZMOPRZAHJAMJBE-KRWDZBQOSA-N 0 0 376.334 3.289 20 30 GGEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)Nc1ccc(F)c(F)c1 ZINC000043266126 1403735033 /nfs/dbraw/zinc/73/50/33/1403735033.db2.gz SZCDLFNPNOMEHT-UHFFFAOYSA-N 0 0 396.401 3.359 20 30 GGEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2c(F)cccc2F)CC1 ZINC000043264711 1403735077 /nfs/dbraw/zinc/73/50/77/1403735077.db2.gz MZDIQXNGUPCPLN-UHFFFAOYSA-N 0 0 399.357 3.439 20 30 GGEDRN C[C@@H](NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccs1 ZINC000043289579 1403742122 /nfs/dbraw/zinc/74/21/22/1403742122.db2.gz QUUYDRQKMWZNDB-CYBMUJFWSA-N 0 0 397.460 3.461 20 30 GGEDRN C=CCNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCCC1 ZINC000043328787 1403747641 /nfs/dbraw/zinc/74/76/41/1403747641.db2.gz VNMHGOBSTHDING-UHFFFAOYSA-N 0 0 394.541 3.015 20 30 GGEDRN N#Cc1cccc(NC(=O)N2CCN(CCOc3ccccc3Cl)CC2)c1 ZINC000043330092 1403748471 /nfs/dbraw/zinc/74/84/71/1403748471.db2.gz WZYRQHHLBNPJBP-UHFFFAOYSA-N 0 0 384.867 3.440 20 30 GGEDRN N#Cc1cccc(NC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1 ZINC000043329734 1403748530 /nfs/dbraw/zinc/74/85/30/1403748530.db2.gz HBRNNNUFGBLPOV-UHFFFAOYSA-N 0 0 398.488 3.055 20 30 GGEDRN CCCCc1nnc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000043383261 1403755635 /nfs/dbraw/zinc/75/56/35/1403755635.db2.gz QULUPHDRQNROAT-UHFFFAOYSA-N 0 0 398.536 3.492 20 30 GGEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCc2cccc(Cl)c2)CC1 ZINC000043478836 1403767816 /nfs/dbraw/zinc/76/78/16/1403767816.db2.gz PRILDMPFCBUQBB-UHFFFAOYSA-N 0 0 399.882 3.151 20 30 GGEDRN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000043482722 1403768853 /nfs/dbraw/zinc/76/88/53/1403768853.db2.gz ULUYGKUCOLHMBM-HNNXBMFYSA-N 0 0 384.867 3.031 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000043505464 1403776329 /nfs/dbraw/zinc/77/63/29/1403776329.db2.gz HAYSETPHUDPYAU-UHFFFAOYSA-N 0 0 381.432 3.113 20 30 GGEDRN Cc1nc(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)sc1C ZINC000043549802 1403783545 /nfs/dbraw/zinc/78/35/45/1403783545.db2.gz YRRVGOOSZAEOTR-UHFFFAOYSA-N 0 0 398.448 3.234 20 30 GGEDRN N#Cc1ccc(CN2CCN(C(=O)Nc3nc(C(F)(F)F)cs3)CC2)cc1 ZINC000043636888 1403794851 /nfs/dbraw/zinc/79/48/51/1403794851.db2.gz WKUZSNQEAZTMAM-UHFFFAOYSA-N 0 0 395.410 3.383 20 30 GGEDRN C[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N=C3CCCCCN3)cc2)C1 ZINC000043669714 1403800234 /nfs/dbraw/zinc/80/02/34/1403800234.db2.gz BJHVBARATUABDU-OAHLLOKOSA-N 0 0 392.525 3.201 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000056550804 1407358320 /nfs/dbraw/zinc/35/83/20/1407358320.db2.gz DWGWZBBNJRRYCJ-UHFFFAOYSA-N 0 0 392.337 3.134 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccccc1OC)N(C)C ZINC000056553247 1407358608 /nfs/dbraw/zinc/35/86/08/1407358608.db2.gz OBYASAXZRIYRFJ-SFHVURJKSA-N 0 0 382.464 3.390 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1 ZINC000043749402 1403811474 /nfs/dbraw/zinc/81/14/74/1403811474.db2.gz XPLSXGMUHDEUFS-CYBMUJFWSA-N 0 0 394.443 3.262 20 30 GGEDRN Cc1csc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 ZINC000043764559 1403812719 /nfs/dbraw/zinc/81/27/19/1403812719.db2.gz YCFIQGIPVHSGEA-UHFFFAOYSA-N 0 0 383.433 3.426 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cn3ccccc3n2)cc1 ZINC000056556364 1407359892 /nfs/dbraw/zinc/35/98/92/1407359892.db2.gz KGTHPKDYPBVTAN-UHFFFAOYSA-N 0 0 389.459 3.470 20 30 GGEDRN Cc1cc2[nH]c(C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)cc2c(C)c1 ZINC000043829915 1403824978 /nfs/dbraw/zinc/82/49/78/1403824978.db2.gz VCXKHVYHEHJZPN-UHFFFAOYSA-N 0 0 389.459 3.484 20 30 GGEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)[C@@H]1CCCc2ccccc21 ZINC000043834452 1403826259 /nfs/dbraw/zinc/82/62/59/1403826259.db2.gz SGIFTKPANPPHJD-HXUWFJFHSA-N 0 0 399.498 3.495 20 30 GGEDRN C=CCOc1ccc(C(=O)NCc2ccccc2CN2CCCC2=O)cc1OC ZINC000043841993 1403828776 /nfs/dbraw/zinc/82/87/76/1403828776.db2.gz FFIMDKQPIWTFEE-UHFFFAOYSA-N 0 0 394.471 3.312 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1CN1CCOCC1 ZINC000043862925 1403833965 /nfs/dbraw/zinc/83/39/65/1403833965.db2.gz LOUOBBXZFMHBJT-UHFFFAOYSA-N 0 0 379.504 3.417 20 30 GGEDRN CS(=O)(=O)c1ccccc1NC(=O)NCCSCc1ccccc1C#N ZINC000043928765 1403847596 /nfs/dbraw/zinc/84/75/96/1403847596.db2.gz MIZIKCFEYWRDAL-UHFFFAOYSA-N 0 0 389.502 3.017 20 30 GGEDRN CC(C)C(=O)NCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000043948090 1403850913 /nfs/dbraw/zinc/85/09/13/1403850913.db2.gz 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GGEDRN CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000045500057 1404133933 /nfs/dbraw/zinc/13/39/33/1404133933.db2.gz DJKSXQQUGOZUMA-AWEZNQCLSA-N 0 0 390.403 3.270 20 30 GGEDRN CCN(C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000045500853 1404134073 /nfs/dbraw/zinc/13/40/73/1404134073.db2.gz TXOSNFPJGYHALC-INIZCTEOSA-N 0 0 399.516 3.468 20 30 GGEDRN CCN(C(=O)CCn1c2ccccc2n(C)c1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000045500735 1404134132 /nfs/dbraw/zinc/13/41/32/1404134132.db2.gz JETLJYPAGJZEBX-MRXNPFEDSA-N 0 0 376.460 3.211 20 30 GGEDRN CCN(C(=O)CN1c2ccccc2O[C@H](C)C1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000045500686 1404134309 /nfs/dbraw/zinc/13/43/09/1404134309.db2.gz FCFYGJOUZNMYDM-HZPDHXFCSA-N 0 0 377.444 3.282 20 30 GGEDRN CCN(C(=O)COc1ccc2c(c1)CCC(=O)N2)[C@H](C)c1ccc(C#N)cc1 ZINC000045501009 1404135023 /nfs/dbraw/zinc/13/50/23/1404135023.db2.gz VPTKETCKFQIADB-OAHLLOKOSA-N 0 0 377.444 3.431 20 30 GGEDRN N#Cc1cccc(CNC(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)c1 ZINC000056622301 1407382894 /nfs/dbraw/zinc/38/28/94/1407382894.db2.gz XOCPKONQZTYSHQ-UHFFFAOYSA-N 0 0 376.460 3.435 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)NCc1ccccc1CN1CCCC1=O ZINC000056622858 1407383126 /nfs/dbraw/zinc/38/31/26/1407383126.db2.gz ZGYZRLQDSNMVGG-UHFFFAOYSA-N 0 0 392.459 3.401 20 30 GGEDRN CC(C)Oc1ccc(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000045541588 1404143622 /nfs/dbraw/zinc/14/36/22/1404143622.db2.gz CJATWNJRSGTBIF-UHFFFAOYSA-N 0 0 392.503 3.373 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CCC3(CC2)OCCO3)cc1 ZINC000056622696 1407383285 /nfs/dbraw/zinc/38/32/85/1407383285.db2.gz CXVYWGSFFPPWLP-UHFFFAOYSA-N 0 0 399.491 3.308 20 30 GGEDRN Cc1ccc(-c2csc(NC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)n2)c(C)c1 ZINC000045569336 1404148254 /nfs/dbraw/zinc/14/82/54/1404148254.db2.gz BAUORLMSRCGUJD-CQSZACIVSA-N 0 0 393.534 3.134 20 30 GGEDRN Cc1cccc(C)c1NC(=O)CNC(=O)NCCSCc1ccccc1C#N ZINC000045572647 1404148915 /nfs/dbraw/zinc/14/89/15/1404148915.db2.gz KKVNCJYJHRDKCF-UHFFFAOYSA-N 0 0 396.516 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GGEDRN CCCNC(=O)c1cccc(CNC(=O)Nc2cc(C#N)ccc2OCC)c1 ZINC000056626532 1407385247 /nfs/dbraw/zinc/38/52/47/1407385247.db2.gz QMMMNBGQCXSTER-UHFFFAOYSA-N 0 0 380.448 3.418 20 30 GGEDRN C[C@@H](NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)c1ccccc1 ZINC000045684187 1404176576 /nfs/dbraw/zinc/17/65/76/1404176576.db2.gz SPFTVFKXOPVWKG-MRXNPFEDSA-N 0 0 388.475 3.319 20 30 GGEDRN N#Cc1cccc(CNC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)c1 ZINC000045710027 1404183375 /nfs/dbraw/zinc/18/33/75/1404183375.db2.gz LBOHZWLFUNZACB-JOCHJYFZSA-N 0 0 397.434 3.430 20 30 GGEDRN CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 ZINC000045716279 1404184561 /nfs/dbraw/zinc/18/45/61/1404184561.db2.gz NSAZJFAUYLQKLV-UHFFFAOYSA-N 0 0 392.484 3.218 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(NC(=O)COC)c1 ZINC000045731914 1404188627 /nfs/dbraw/zinc/18/86/27/1404188627.db2.gz ZIGKYDAREHTNRY-UHFFFAOYSA-N 0 0 394.475 3.265 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1 ZINC000045760625 1404197426 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GGEDRN CCCOc1ccc(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000045881388 1404234269 /nfs/dbraw/zinc/23/42/69/1404234269.db2.gz KNQWQDLWCHSKJI-UHFFFAOYSA-N 0 0 392.503 3.374 20 30 GGEDRN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000045898648 1404237781 /nfs/dbraw/zinc/23/77/81/1404237781.db2.gz GAWZZNYIGNOQMC-RTBURBONSA-N 0 0 392.480 3.262 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)c1 ZINC000045906091 1404240305 /nfs/dbraw/zinc/24/03/05/1404240305.db2.gz OOANWZPBAMSCLK-KFKAGJAMSA-N 0 0 376.522 3.192 20 30 GGEDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000045948296 1404250239 /nfs/dbraw/zinc/25/02/39/1404250239.db2.gz RXHWHRCABUBLGO-UHFFFAOYSA-N 0 0 395.419 3.219 20 30 GGEDRN N#CCSc1ccccc1NC(=O)CNc1ccc(C(=O)NC2CC2)cc1 ZINC000045957125 1404251579 /nfs/dbraw/zinc/25/15/79/1404251579.db2.gz RRYWNSREITVPHE-UHFFFAOYSA-N 0 0 380.473 3.245 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000056643264 1407391628 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GGEDRN CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000048029391 1405029230 /nfs/dbraw/zinc/02/92/30/1405029230.db2.gz SQHJXFSFSQHFMQ-UHFFFAOYSA-N 0 0 376.441 3.279 20 30 GGEDRN COc1ccc(-c2nnc(CN3CCN(c4cccc(F)c4C#N)CC3)o2)cc1 ZINC000048041457 1405030754 /nfs/dbraw/zinc/03/07/54/1405030754.db2.gz SDLXQFQTSICXLL-UHFFFAOYSA-N 0 0 393.422 3.078 20 30 GGEDRN N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 ZINC000048082637 1405046675 /nfs/dbraw/zinc/04/66/75/1405046675.db2.gz DRBWKJKIWQCIEE-UHFFFAOYSA-N 0 0 390.491 3.298 20 30 GGEDRN N#Cc1cccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000048092806 1405051078 /nfs/dbraw/zinc/05/10/78/1405051078.db2.gz SUECBXJEWLVMBQ-UHFFFAOYSA-N 0 0 379.294 3.338 20 30 GGEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCCCCCC2)cc1 ZINC000048096004 1405052873 /nfs/dbraw/zinc/05/28/73/1405052873.db2.gz JJHLDMGWGZGKJF-DYTRJAOYSA-N 0 0 392.525 3.297 20 30 GGEDRN CCc1c(C(=O)NCCSCc2ccccc2C#N)cnn1-c1ccccn1 ZINC000048102426 1405055284 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C=CCNC(=O)c1ccc(NC(=O)N(C)Cc2ccc(OC)cc2OC)cc1 ZINC000048149352 1405075561 /nfs/dbraw/zinc/07/55/61/1405075561.db2.gz NDIARSFSRDQFOC-UHFFFAOYSA-N 0 0 383.448 3.284 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000048149369 1405075793 /nfs/dbraw/zinc/07/57/93/1405075793.db2.gz FJBWWNJTTGMIJK-UHFFFAOYSA-N 0 0 394.475 3.322 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000048149350 1405076121 /nfs/dbraw/zinc/07/61/21/1405076121.db2.gz QQTCUWQPTCCYBX-UHFFFAOYSA-N 0 0 383.448 3.284 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000048149463 1405076133 /nfs/dbraw/zinc/07/61/33/1405076133.db2.gz TUAHTVQAWPWRPL-UHFFFAOYSA-N 0 0 394.475 3.288 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)Nc2ccccc2-n2cccn2)CC1 ZINC000048151775 1405076635 /nfs/dbraw/zinc/07/66/35/1405076635.db2.gz UYZDRBMKYCFRRR-UHFFFAOYSA-N 0 0 390.422 3.237 20 30 GGEDRN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(C#N)cc1 ZINC000048154643 1405077666 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Cn1cc(CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cn1 ZINC000048161974 1405081315 /nfs/dbraw/zinc/08/13/15/1405081315.db2.gz PAIILIFGFXTNNU-UHFFFAOYSA-N 0 0 389.459 3.429 20 30 GGEDRN CCN(C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1)C1CC1 ZINC000048162142 1405081366 /nfs/dbraw/zinc/08/13/66/1405081366.db2.gz YTCCUFFNCOVXGQ-UZYVYHOESA-N 0 0 392.525 3.296 20 30 GGEDRN N#Cc1ccccc1N1CCCN(C(=O)Nc2cccnc2N2CCCC2)CC1 ZINC000048171484 1405084728 /nfs/dbraw/zinc/08/47/28/1405084728.db2.gz JSQMYILACIPBDQ-UHFFFAOYSA-N 0 0 390.491 3.298 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)Nc2cccnc2N2CCCC2)CC1 ZINC000048172281 1405086236 /nfs/dbraw/zinc/08/62/36/1405086236.db2.gz CDLHYNGBJITLNV-UHFFFAOYSA-N 0 0 394.454 3.047 20 30 GGEDRN CCN(CC)C(=O)N1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000048190409 1405093156 /nfs/dbraw/zinc/09/31/56/1405093156.db2.gz ONFZHSYLEMKLPT-UHFFFAOYSA-N 0 0 390.487 3.445 20 30 GGEDRN CCOc1ncccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000048207291 1405097955 /nfs/dbraw/zinc/09/79/55/1405097955.db2.gz 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20 30 GGEDRN CCOc1cccc([C@@H](C)NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c1 ZINC000066241594 1408794699 /nfs/dbraw/zinc/79/46/99/1408794699.db2.gz VOFBKTVURXWWKD-CQSZACIVSA-N 0 0 375.432 3.216 20 30 GGEDRN N#Cc1cnn(-c2ccc(C(=O)Nc3nc4cc(F)c(F)cc4s3)cc2)c1N ZINC000066241660 1408794706 /nfs/dbraw/zinc/79/47/06/1408794706.db2.gz WNGJFOSTJMAABF-UHFFFAOYSA-N 0 0 396.382 3.466 20 30 GGEDRN Cc1cccc(C)c1OC[C@H](C)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000066241237 1408794736 /nfs/dbraw/zinc/79/47/36/1408794736.db2.gz QLTYLLLAPWELHX-INIZCTEOSA-N 0 0 389.459 3.140 20 30 GGEDRN Cc1nn(-c2ccccc2)c(Cn2nc(-c3ccccc3F)ccc2=O)c1C#N ZINC000066264868 1408799742 /nfs/dbraw/zinc/79/97/42/1408799742.db2.gz TZOSJRGTEKNHEF-UHFFFAOYSA-N 0 0 385.402 3.464 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)cc1 ZINC000176524449 1428349882 /nfs/dbraw/zinc/34/98/82/1428349882.db2.gz AHGQOOJPSFMFGR-OXQOHEQNSA-N 0 0 384.501 3.169 20 30 GGEDRN C#CCNC(=O)c1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000066287928 1408805035 /nfs/dbraw/zinc/80/50/35/1408805035.db2.gz SEENUTBPLMWFOU-UHFFFAOYSA-N 0 0 379.397 3.425 20 30 GGEDRN C#CCNC(=O)c1ccccc1NC(=O)Cc1csc(-c2cccs2)n1 ZINC000066287779 1408805061 /nfs/dbraw/zinc/80/50/61/1408805061.db2.gz QVBXEEPUPYDMSG-UHFFFAOYSA-N 0 0 381.482 3.416 20 30 GGEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066289795 1408805404 /nfs/dbraw/zinc/80/54/04/1408805404.db2.gz YBKBRWZZGNXCBS-UHFFFAOYSA-N 0 0 381.388 3.288 20 30 GGEDRN C#CCNC(=O)c1ccccc1NC(=O)c1csc(Cc2ccccc2)n1 ZINC000066289331 1408805438 /nfs/dbraw/zinc/80/54/38/1408805438.db2.gz CJHQKXLQOCULGC-UHFFFAOYSA-N 0 0 375.453 3.349 20 30 GGEDRN C#CCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCCC2)nc1 ZINC000066289534 1408805507 /nfs/dbraw/zinc/80/55/07/1408805507.db2.gz RHSHINQZIAFUPH-UHFFFAOYSA-N 0 0 376.460 3.077 20 30 GGEDRN C#CCNC(=O)c1ccccc1NC(=O)CCCOc1ccccc1OCC ZINC000066288388 1408805528 /nfs/dbraw/zinc/80/55/28/1408805528.db2.gz ADQWBFDEQYXVMY-UHFFFAOYSA-N 0 0 380.444 3.246 20 30 GGEDRN C#CCNC(=O)c1ccccc1NC(=O)c1csc(-c2ccc(OC)cc2)n1 ZINC000066290060 1408805834 /nfs/dbraw/zinc/80/58/34/1408805834.db2.gz IKHZBJBTCUXKPK-UHFFFAOYSA-N 0 0 391.452 3.434 20 30 GGEDRN C=CCCO[C@H](C)C(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000066310212 1408809406 /nfs/dbraw/zinc/80/94/06/1408809406.db2.gz LTVAJVPGRYKRHF-ZIAGYGMSSA-N 0 0 396.413 3.435 20 30 GGEDRN C=CCCO[C@@H](C)C(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000066310205 1408809507 /nfs/dbraw/zinc/80/95/07/1408809507.db2.gz LTVAJVPGRYKRHF-KBPBESRZSA-N 0 0 396.413 3.435 20 30 GGEDRN C=CCCO[C@H](C)C(=O)N1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000066318471 1408811057 /nfs/dbraw/zinc/81/10/57/1408811057.db2.gz FAFCVBGPIAUJSZ-OAHLLOKOSA-N 0 0 379.888 3.306 20 30 GGEDRN C=CCN(C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066321498 1408811369 /nfs/dbraw/zinc/81/13/69/1408811369.db2.gz ZAKOUXHVDWWBDE-CZUORRHYSA-N 0 0 389.439 3.401 20 30 GGEDRN CN(C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)C1(C#N)CCC1 ZINC000066321687 1408811555 /nfs/dbraw/zinc/81/15/55/1408811555.db2.gz INVLKPDYXNCMPR-IBGZPJMESA-N 0 0 375.428 3.147 20 30 GGEDRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N(C)C2(C#N)CCC2)CC1 ZINC000066322105 1408811950 /nfs/dbraw/zinc/81/19/50/1408811950.db2.gz SDCOQFKARLPBMD-UHFFFAOYSA-N 0 0 389.883 3.105 20 30 GGEDRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)C3(C#N)CCC3)cc2)cc1 ZINC000066336969 1408815980 /nfs/dbraw/zinc/81/59/80/1408815980.db2.gz TWPIEIJOAUJSAW-UHFFFAOYSA-N 0 0 383.473 3.314 20 30 GGEDRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)C3(C#N)CCC3)c2)c1 ZINC000066336815 1408816161 /nfs/dbraw/zinc/81/61/61/1408816161.db2.gz MWZLZIUEXRSPBO-UHFFFAOYSA-N 0 0 383.473 3.314 20 30 GGEDRN C=CCN(CCc1ccccc1)C(=O)NCc1ccccc1CS(C)(=O)=O ZINC000176527643 1428351078 /nfs/dbraw/zinc/35/10/78/1428351078.db2.gz FHKWEFYNIWCACP-UHFFFAOYSA-N 0 0 386.517 3.172 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1CS(C)(=O)=O ZINC000176527715 1428351153 /nfs/dbraw/zinc/35/11/53/1428351153.db2.gz BAKZYWPDJUXZHI-UHFFFAOYSA-N 0 0 397.500 3.001 20 30 GGEDRN CC(C)n1cc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 ZINC000066388091 1408828037 /nfs/dbraw/zinc/82/80/37/1408828037.db2.gz QVBDIVRDKHSFEI-UHFFFAOYSA-N 0 0 394.435 3.439 20 30 GGEDRN Cn1c2ccccc2n(CC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1=O ZINC000066391780 1408828938 /nfs/dbraw/zinc/82/89/38/1408828938.db2.gz HECIQWKERUPWMB-ZDUSSCGKSA-N 0 0 389.242 3.028 20 30 GGEDRN Cn1c2ccccc2n(CC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1=O ZINC000066391782 1408828962 /nfs/dbraw/zinc/82/89/62/1408828962.db2.gz HECIQWKERUPWMB-CYBMUJFWSA-N 0 0 389.242 3.028 20 30 GGEDRN C=CCNC(=O)NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2OC)c(F)c1 ZINC000066392960 1408829326 /nfs/dbraw/zinc/82/93/26/1408829326.db2.gz ZRBZJAQSHQHUKU-ZDUSSCGKSA-N 0 0 387.411 3.439 20 30 GGEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 ZINC000066396548 1408830480 /nfs/dbraw/zinc/83/04/80/1408830480.db2.gz CSNYYIWUWWGKHC-VQIMIIECSA-N 0 0 379.460 3.307 20 30 GGEDRN CSc1nc(C)c(CCC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c(=O)[nH]1 ZINC000066396719 1408830577 /nfs/dbraw/zinc/83/05/77/1408830577.db2.gz KLFHJHAUTJEVLY-QGZVFWFLSA-N 0 0 398.532 3.411 20 30 GGEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)CNC(=O)Cc2cccc(F)c2)cc1 ZINC000066396873 1408830654 /nfs/dbraw/zinc/83/06/54/1408830654.db2.gz AYMKMZADQFKUOR-IBGZPJMESA-N 0 0 381.451 3.163 20 30 GGEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCS(=O)(=O)C2CCCC2)cc1 ZINC000066396508 1408830669 /nfs/dbraw/zinc/83/06/69/1408830669.db2.gz VWSKEADNMVAJLU-GOSISDBHSA-N 0 0 376.522 3.412 20 30 GGEDRN Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000066397517 1408830944 /nfs/dbraw/zinc/83/09/44/1408830944.db2.gz ZXUSWZDGOCTLPO-LJQANCHMSA-N 0 0 390.491 3.352 20 30 GGEDRN CN1C(=O)c2ccc(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)cc2C1=O ZINC000066397652 1408830987 /nfs/dbraw/zinc/83/09/87/1408830987.db2.gz ATLSNHXYVVSWLT-GOSISDBHSA-N 0 0 375.428 3.205 20 30 GGEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1 ZINC000066397646 1408831006 /nfs/dbraw/zinc/83/10/06/1408831006.db2.gz WPHXXTUIOCSFHE-DZGCQCFKSA-N 0 0 381.398 3.076 20 30 GGEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCNS(=O)(=O)c2ccccc2)cc1 ZINC000066397533 1408831074 /nfs/dbraw/zinc/83/10/74/1408831074.db2.gz CLSYBZRIROEYAG-IBGZPJMESA-N 0 0 399.516 3.034 20 30 GGEDRN CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1 ZINC000066397730 1408831107 /nfs/dbraw/zinc/83/11/07/1408831107.db2.gz JATXFWGOLQNNHX-LJQANCHMSA-N 0 0 399.516 3.229 20 30 GGEDRN COc1ccc(-n2ccnc2SC[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000066401482 1408831358 /nfs/dbraw/zinc/83/13/58/1408831358.db2.gz XQFVVQPHKPTSEY-SFHVURJKSA-N 0 0 395.484 3.479 20 30 GGEDRN CCNC(=O)COc1ccc(/C=C2\COc3c(C)ccc(C)c3C2=O)cc1OC ZINC000066408027 1408832138 /nfs/dbraw/zinc/83/21/38/1408832138.db2.gz LXVBICORBNMKTO-LICLKQGHSA-N 0 0 395.455 3.486 20 30 GGEDRN Cc1nnc([C@@H](C)Sc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)o1 ZINC000066409199 1408832200 /nfs/dbraw/zinc/83/22/00/1408832200.db2.gz FIRGVBKMJPMGHJ-SNVBAGLBSA-N 0 0 380.433 3.333 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000066418411 1408835165 /nfs/dbraw/zinc/83/51/65/1408835165.db2.gz ZOALKMKYWNGUDV-UHFFFAOYSA-N 0 0 382.807 3.423 20 30 GGEDRN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1ccc(C#N)c(C)n1 ZINC000066437199 1408838084 /nfs/dbraw/zinc/83/80/84/1408838084.db2.gz ZTQZEJCQOYHVEZ-UHFFFAOYSA-N 0 0 380.473 3.011 20 30 GGEDRN Cc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1C(N)=O ZINC000066440993 1408838936 /nfs/dbraw/zinc/83/89/36/1408838936.db2.gz BKEBNNHGLITRKA-UHFFFAOYSA-N 0 0 375.384 3.390 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)C[C@H](C)c1ccccc1 ZINC000066459230 1408842023 /nfs/dbraw/zinc/84/20/23/1408842023.db2.gz HRPPJCJYUVSANU-HNNXBMFYSA-N 0 0 375.476 3.413 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)c2ccc(S(=O)(=O)CCOC)cc2)c1 ZINC000066463020 1408842479 /nfs/dbraw/zinc/84/24/79/1408842479.db2.gz VXXDXXTYVBHCAL-UHFFFAOYSA-N 0 0 389.473 3.314 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 ZINC000066463732 1408842634 /nfs/dbraw/zinc/84/26/34/1408842634.db2.gz NBRFMBOMGYQPMT-UHFFFAOYSA-N 0 0 390.417 3.206 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1 ZINC000066463606 1408842736 /nfs/dbraw/zinc/84/27/36/1408842736.db2.gz DWJFVRZBTZHDNT-UHFFFAOYSA-N 0 0 386.473 3.335 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)c1 ZINC000066463508 1408842746 /nfs/dbraw/zinc/84/27/46/1408842746.db2.gz YQFAIUSEWJVYHC-UHFFFAOYSA-N 0 0 390.461 3.076 20 30 GGEDRN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1-c1ccccc1C#N ZINC000066518690 1408852085 /nfs/dbraw/zinc/85/20/85/1408852085.db2.gz GRWYINXAKSYSFN-UHFFFAOYSA-N 0 0 376.372 3.495 20 30 GGEDRN Cc1nnc(SCC(=O)OCC#Cc2ccccc2)n1Cc1ccccc1 ZINC000066519452 1408852536 /nfs/dbraw/zinc/85/25/36/1408852536.db2.gz YCGMRTHUPHJKAD-UHFFFAOYSA-N 0 0 377.469 3.322 20 30 GGEDRN CCCN(C)c1ccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000066526251 1408853103 /nfs/dbraw/zinc/85/31/03/1408853103.db2.gz JQDMMXSMSZDRPW-UHFFFAOYSA-N 0 0 377.492 3.198 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)nc1 ZINC000066526415 1408853111 /nfs/dbraw/zinc/85/31/11/1408853111.db2.gz DYQDSRLDPZIPHD-HUUCEWRRSA-N 0 0 380.414 3.407 20 30 GGEDRN Cc1ccc(-c2cc(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)on2)cc1 ZINC000066526520 1408853120 /nfs/dbraw/zinc/85/31/20/1408853120.db2.gz LMLAVUYOBLKWDO-UHFFFAOYSA-N 0 0 387.443 3.316 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)[C@H]3C[C@H]3c3cccc(Cl)c3)CC2)nc1 ZINC000066526299 1408853127 /nfs/dbraw/zinc/85/31/27/1408853127.db2.gz KNEHRHVSRDKRNX-OALUTQOASA-N 0 0 380.879 3.495 20 30 GGEDRN C[C@H](Oc1ccccc1Cl)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000066526532 1408853186 /nfs/dbraw/zinc/85/31/86/1408853186.db2.gz ZIZFBNIWBZJVOY-AWEZNQCLSA-N 0 0 384.867 3.159 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)nc1 ZINC000066526414 1408853192 /nfs/dbraw/zinc/85/31/92/1408853192.db2.gz DYQDSRLDPZIPHD-GJZGRUSLSA-N 0 0 380.414 3.407 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)CC2)nc1 ZINC000066526661 1408853399 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1412220098 /nfs/dbraw/zinc/22/00/98/1412220098.db2.gz KKYNJXNPZZINKT-SJORKVTESA-N 0 0 385.389 3.428 20 30 GGEDRN N#Cc1ccc(-n2nccc2NC(=O)Cc2csc(-c3ccccn3)n2)cc1 ZINC000112830678 1412222187 /nfs/dbraw/zinc/22/21/87/1412222187.db2.gz KXKDDGWCAQDCLV-UHFFFAOYSA-N 0 0 386.440 3.444 20 30 GGEDRN N#Cc1ccc(-n2nccc2NC(=O)c2nc(N3CCCC3)ncc2Cl)cc1 ZINC000112830570 1412222359 /nfs/dbraw/zinc/22/23/59/1412222359.db2.gz CKJYFEZZGWSQPI-UHFFFAOYSA-N 0 0 393.838 3.040 20 30 GGEDRN COc1cccc(CO[C@@H](C)C(=O)Nc2ccnn2-c2ccc(C#N)cc2)c1 ZINC000112833025 1412222608 /nfs/dbraw/zinc/22/26/08/1412222608.db2.gz SJPQKRGLHLDXSP-HNNXBMFYSA-N 0 0 376.416 3.296 20 30 GGEDRN N#Cc1ccc(-n2nccc2NC(=O)c2cn(-c3ccccc3Cl)nn2)cc1 ZINC000112833003 1412222663 /nfs/dbraw/zinc/22/26/63/1412222663.db2.gz JPJZYFSPMXAAOC-UHFFFAOYSA-N 0 0 389.806 3.230 20 30 GGEDRN CCN(CC)C(=O)c1ccc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)cc1 ZINC000112832179 1412222681 /nfs/dbraw/zinc/22/26/81/1412222681.db2.gz DOLJRUSVSUXJOH-UHFFFAOYSA-N 0 0 387.443 3.478 20 30 GGEDRN COc1cccc(CO[C@H](C)C(=O)Nc2ccnn2-c2ccc(C#N)cc2)c1 ZINC000112833026 1412222684 /nfs/dbraw/zinc/22/26/84/1412222684.db2.gz SJPQKRGLHLDXSP-OAHLLOKOSA-N 0 0 376.416 3.296 20 30 GGEDRN CCOc1ccc2c(c1)C[C@H](C(=O)Nc1ccnn1-c1ccc(C#N)cc1)CO2 ZINC000112831797 1412222766 /nfs/dbraw/zinc/22/27/66/1412222766.db2.gz ARDAGQFOTPLPAN-KRWDZBQOSA-N 0 0 388.427 3.332 20 30 GGEDRN C[C@@H]1Sc2ccc(C(=O)Nc3ccnn3-c3ccc(C#N)cc3)cc2NC1=O ZINC000112831707 1412222796 /nfs/dbraw/zinc/22/27/96/1412222796.db2.gz WBLNNAMBGWCXNK-LBPRGKRZSA-N 0 0 389.440 3.429 20 30 GGEDRN N#Cc1ccc(-n2nccc2NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000112831878 1412222835 /nfs/dbraw/zinc/22/28/35/1412222835.db2.gz GYGIQOWSZYBZGJ-UHFFFAOYSA-N 0 0 377.360 3.060 20 30 GGEDRN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccnn1-c1ccc(C#N)cc1 ZINC000112833200 1412223057 /nfs/dbraw/zinc/22/30/57/1412223057.db2.gz PINUXSFLOVTIIM-FQEVSTJZSA-N 0 0 387.443 3.137 20 30 GGEDRN COc1ccc(Cn2cc(C(=O)Nc3ccnn3-c3ccc(C#N)cc3)cn2)cc1 ZINC000112833419 1412223238 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CC[C@H](C#N)Oc1cc(CNC(=O)Cc2ccc(OC)c(F)c2)ccc1OC ZINC000113111015 1412263830 /nfs/dbraw/zinc/26/38/30/1412263830.db2.gz WJCPGXPRNVKDSI-MRXNPFEDSA-N 0 0 386.423 3.383 20 30 GGEDRN CSc1ncc(C(=O)NCc2cccc(OCC#N)c2)n1-c1ccccc1 ZINC000113108659 1412263877 /nfs/dbraw/zinc/26/38/77/1412263877.db2.gz SRBXLGXVYSXGRQ-UHFFFAOYSA-N 0 0 378.457 3.427 20 30 GGEDRN N#CCOc1cccc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000113110655 1412263895 /nfs/dbraw/zinc/26/38/95/1412263895.db2.gz HUSLVVCSGYYLPT-UHFFFAOYSA-N 0 0 380.404 3.027 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(F)cc3nccnc32)ccc1OC ZINC000113110864 1412264082 /nfs/dbraw/zinc/26/40/82/1412264082.db2.gz ZMUVSQUFSJMZPU-HNNXBMFYSA-N 0 0 394.406 3.388 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc3nccnc3c2)ccc1OC ZINC000113114513 1412264410 /nfs/dbraw/zinc/26/44/10/1412264410.db2.gz GFTVFBVPPHBOLR-INIZCTEOSA-N 0 0 376.416 3.249 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OC ZINC000113113431 1412264521 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GGEDRN COc1ccc([C@H](C#N)N2CCN(C(=O)c3coc4ccccc43)CC2)cc1 ZINC000113143470 1412268036 /nfs/dbraw/zinc/26/80/36/1412268036.db2.gz BBSATGGINYFEHA-FQEVSTJZSA-N 0 0 375.428 3.464 20 30 GGEDRN CCOc1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(OC)cc3)CC2)ccc1C ZINC000113143465 1412268281 /nfs/dbraw/zinc/26/82/81/1412268281.db2.gz JUQBYGSLELMIHR-NRFANRHFSA-N 0 0 393.487 3.425 20 30 GGEDRN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CCc1nc(-c2ccco2)no1 ZINC000113141199 1412268386 /nfs/dbraw/zinc/26/83/86/1412268386.db2.gz LGTNNQCDZRCJTK-CYBMUJFWSA-N 0 0 394.387 3.008 20 30 GGEDRN N#C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)c1ccc(Cl)cc1 ZINC000113175785 1412270776 /nfs/dbraw/zinc/27/07/76/1412270776.db2.gz SUZARZPSTVSSED-BLLLJJGKSA-N 0 0 389.789 3.352 20 30 GGEDRN Cc1c(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000113177332 1412271174 /nfs/dbraw/zinc/27/11/74/1412271174.db2.gz BWYKFDFBIRLJTP-INIZCTEOSA-N 0 0 396.794 3.132 20 30 GGEDRN CC1(C)Cc2[nH]c(=O)c(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)cc2C(=O)C1 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AQAQGILDWKVOQG-CQSZACIVSA-N 0 0 380.404 3.289 20 30 GGEDRN Cc1ccccc1-n1ccnc1SCC(=O)NCc1cccc(OCC#N)c1 ZINC000113211202 1412276259 /nfs/dbraw/zinc/27/62/59/1412276259.db2.gz QBTGTWYQMDAYQV-UHFFFAOYSA-N 0 0 392.484 3.492 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(N3CCCC3)nc2)ccc1OC ZINC000113211496 1412276513 /nfs/dbraw/zinc/27/65/13/1412276513.db2.gz YXGOYJSRXQUOEL-SFHVURJKSA-N 0 0 394.475 3.301 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(-c3ccco3)n[nH]2)ccc1OC ZINC000113211581 1412276570 /nfs/dbraw/zinc/27/65/70/1412276570.db2.gz AQAQGILDWKVOQG-AWEZNQCLSA-N 0 0 380.404 3.289 20 30 GGEDRN CN(CCc1ccc(Cl)cc1)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000113246534 1412282376 /nfs/dbraw/zinc/28/23/76/1412282376.db2.gz WXQRYZITYJYQJT-OAQYLSRUSA-N 0 0 396.878 3.111 20 30 GGEDRN Cc1ccccc1NC(=O)[C@H](C)ON=C(N)c1ccc(N2CCCCC2)nc1 ZINC000113249348 1412282804 /nfs/dbraw/zinc/28/28/04/1412282804.db2.gz DJOKWKMQGGJOQC-INIZCTEOSA-N 0 0 381.480 3.044 20 30 GGEDRN 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N#CCOc1ccc(Cc2nc(-c3cccc(CN4CCOCC4)c3)no2)cc1 ZINC000113722544 1412337402 /nfs/dbraw/zinc/33/74/02/1412337402.db2.gz MCQZMBJBAZQRJB-UHFFFAOYSA-N 0 0 390.443 3.062 20 30 GGEDRN CCc1ccc(-c2noc(-c3ccc(C)c(S(=O)(=O)NCC#N)c3)n2)cc1 ZINC000113735172 1412338598 /nfs/dbraw/zinc/33/85/98/1412338598.db2.gz GKXGBWFXAHRIHF-UHFFFAOYSA-N 0 0 382.445 3.076 20 30 GGEDRN N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000113779973 1412342845 /nfs/dbraw/zinc/34/28/45/1412342845.db2.gz AAVZTJGHFBXZKM-INIZCTEOSA-N 0 0 382.807 3.055 20 30 GGEDRN N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000113813260 1412343775 /nfs/dbraw/zinc/34/37/75/1412343775.db2.gz QPDXHLPLBLJQLP-UHFFFAOYSA-N 0 0 382.326 3.167 20 30 GGEDRN CC(C)[C@@H]1CCC[C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000113814345 1412343798 /nfs/dbraw/zinc/34/37/98/1412343798.db2.gz LERHLUMDAIMKPM-ZHALLVOQSA-N 0 0 396.491 3.094 20 30 GGEDRN N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC3CCCCCCC3)C2=O)cc1 ZINC000113802849 1412343868 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Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC3(C#N)CCOCC3)cc12 ZINC000115468359 1412684352 /nfs/dbraw/zinc/68/43/52/1412684352.db2.gz UYCNSFRVFSSUPZ-UHFFFAOYSA-N 0 0 398.463 3.396 20 30 GGEDRN CCCOc1c(Cl)cc(/C=C/C(=O)NC2(C#N)CCOCC2)cc1OC ZINC000115466084 1412684431 /nfs/dbraw/zinc/68/44/31/1412684431.db2.gz YUOBOBKVBMZFSS-SNAWJCMRSA-N 0 0 378.856 3.340 20 30 GGEDRN COc1cc(/C=C/C(=O)NC2(C#N)CCOCC2)cc(Cl)c1OC(C)C ZINC000115466122 1412684513 /nfs/dbraw/zinc/68/45/13/1412684513.db2.gz IFRDVGGQXRTZJV-SNAWJCMRSA-N 0 0 378.856 3.338 20 30 GGEDRN CC[C@H](C)n1c(SCC(=O)NC2(C#N)CCOCC2)nnc1-c1ccccc1 ZINC000115467961 1412684616 /nfs/dbraw/zinc/68/46/16/1412684616.db2.gz OHKYRKGMSIUWHK-HNNXBMFYSA-N 0 0 399.520 3.197 20 30 GGEDRN N#CC1(NC(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)CCOCC1 ZINC000115470166 1412684777 /nfs/dbraw/zinc/68/47/77/1412684777.db2.gz HWUJDSNCRJNQBA-DUXPYHPUSA-N 0 0 388.317 3.092 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N2CCSC[C@H]2c2ccccc2)cc1Cl ZINC000115474307 1412685659 /nfs/dbraw/zinc/68/56/59/1412685659.db2.gz HPQONUQGUSTDSP-KRWDZBQOSA-N 0 0 385.876 3.467 20 30 GGEDRN C=CCOc1ccc(C=CC(=O)Nc2nnc3n(C)[nH]c(CC)c2-3)cc1OC ZINC000115498430 1412693619 /nfs/dbraw/zinc/69/36/19/1412693619.db2.gz BTTRUURIOZRLAY-CSKARUKUSA-N 0 0 381.436 3.084 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000177283726 1428670148 /nfs/dbraw/zinc/67/01/48/1428670148.db2.gz CQNKNIWLUPJHKD-LSDHHAIUSA-N 0 0 397.504 3.149 20 30 GGEDRN N#Cc1ccc([C@H](C(N)=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000115540985 1412703846 /nfs/dbraw/zinc/70/38/46/1412703846.db2.gz MTJCKHIFROPNLW-ZWKOTPCHSA-N 0 0 390.270 3.465 20 30 GGEDRN N#Cc1ccc([C@@H](C(N)=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000115536939 1412704002 /nfs/dbraw/zinc/70/40/02/1412704002.db2.gz OYPPOEQXMHILID-IBGZPJMESA-N 0 0 381.863 3.333 20 30 GGEDRN COc1ccc2[nH]cc(C3=CCN([C@@H](C(N)=O)c4ccc(C#N)cc4)CC3)c2c1 ZINC000115536231 1412704319 /nfs/dbraw/zinc/70/43/19/1412704319.db2.gz AKMCICBDZJBXAW-JOCHJYFZSA-N 0 0 386.455 3.364 20 30 GGEDRN COc1ccc2[nH]cc(C3=CCN([C@H](C(N)=O)c4ccc(C#N)cc4)CC3)c2c1 ZINC000115536228 1412704413 /nfs/dbraw/zinc/70/44/13/1412704413.db2.gz AKMCICBDZJBXAW-QFIPXVFZSA-N 0 0 386.455 3.364 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000115579067 1412717293 /nfs/dbraw/zinc/71/72/93/1412717293.db2.gz RTIDNFWGVUFIIJ-UHFFFAOYSA-N 0 0 397.500 3.068 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000177285835 1428671201 /nfs/dbraw/zinc/67/12/01/1428671201.db2.gz AOEMXKNZMOVERL-HUUCEWRRSA-N 0 0 397.504 3.006 20 30 GGEDRN C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(OC)c(C(=O)N(C)C)c1 ZINC000115580478 1412720113 /nfs/dbraw/zinc/72/01/13/1412720113.db2.gz SNAFCBJYNUKISE-UHFFFAOYSA-N 0 0 394.537 3.154 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)Oc1cccc(NC(=O)c2ccco2)c1 ZINC000115581450 1412720246 /nfs/dbraw/zinc/72/02/46/1412720246.db2.gz BTQHUPZKODVFQX-UHFFFAOYSA-N 0 0 382.397 3.480 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c1 ZINC000115587560 1412720824 /nfs/dbraw/zinc/72/08/24/1412720824.db2.gz DYHALVJWVIAIMO-QFBILLFUSA-N 0 0 384.501 3.169 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)c1 ZINC000115587555 1412720927 /nfs/dbraw/zinc/72/09/27/1412720927.db2.gz DYHALVJWVIAIMO-APWZRJJASA-N 0 0 384.501 3.169 20 30 GGEDRN COc1cc(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)ccc1OCCC(C)C ZINC000115597073 1412724674 /nfs/dbraw/zinc/72/46/74/1412724674.db2.gz QLSHGNHYOLEQTP-OAQYLSRUSA-N 0 0 381.476 3.308 20 30 GGEDRN Cc1ccc(C(=O)Nc2cccc(CN[C@@H](C(N)=O)c3ccc(C#N)cc3)c2)cc1 ZINC000115597744 1412725329 /nfs/dbraw/zinc/72/53/29/1412725329.db2.gz FGUJLELMUVTXDJ-JOCHJYFZSA-N 0 0 398.466 3.435 20 30 GGEDRN N#Cc1ccc([C@H](Nc2ccc(C(=O)NC3CCCCC3)cc2)C(N)=O)cc1 ZINC000115598052 1412725777 /nfs/dbraw/zinc/72/57/77/1412725777.db2.gz JEEOCMFVGRXYIS-FQEVSTJZSA-N 0 0 376.460 3.259 20 30 GGEDRN C[C@@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(OCc2ccccn2)c1 ZINC000115597635 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1412768472 /nfs/dbraw/zinc/76/84/72/1412768472.db2.gz FEVDOVYDBCWVOU-QGZVFWFLSA-N 0 0 376.464 3.164 20 30 GGEDRN Cc1sc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(C#N)c1C ZINC000177295143 1428675576 /nfs/dbraw/zinc/67/55/76/1428675576.db2.gz KGBRBJCKBLVJRO-GFCCVEGCSA-N 0 0 392.525 3.116 20 30 GGEDRN N#C[C@H]1CN(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)CCO1 ZINC000115770682 1412785511 /nfs/dbraw/zinc/78/55/11/1412785511.db2.gz BCXDOQFZZMUZSC-HNNXBMFYSA-N 0 0 384.823 3.349 20 30 GGEDRN CN(C(=O)NCc1cccc(OCC#N)c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000115828721 1412800417 /nfs/dbraw/zinc/80/04/17/1412800417.db2.gz JKRUGTSLMVTDRD-FQEVSTJZSA-N 0 0 378.476 3.399 20 30 GGEDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000115855228 1412802673 /nfs/dbraw/zinc/80/26/73/1412802673.db2.gz XKBWHSPOIQIPOL-UHFFFAOYSA-N 0 0 391.519 3.355 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1nnnn1-c1ccccc1 ZINC000115862347 1412803606 /nfs/dbraw/zinc/80/36/06/1412803606.db2.gz PLUWOUPPGNHLMW-MRXNPFEDSA-N 0 0 392.463 3.130 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CCC2CCCCC2)cc1 ZINC000115881901 1412808807 /nfs/dbraw/zinc/80/88/07/1412808807.db2.gz QAAQKCURTKWVDN-MRXNPFEDSA-N 0 0 385.508 3.406 20 30 GGEDRN COc1ccc([C@@H](NCC(=O)N[C@](C)(C#N)C2CC2)c2ccc(F)cc2)cc1 ZINC000115886688 1412810123 /nfs/dbraw/zinc/81/01/23/1412810123.db2.gz BIMKDLQNHLQKOC-FCHUYYIVSA-N 0 0 381.451 3.322 20 30 GGEDRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)C[C@H](C)C#N ZINC000115899873 1412813247 /nfs/dbraw/zinc/81/32/47/1412813247.db2.gz IQZUNIWOPXIRJH-LLVKDONJSA-N 0 0 392.381 3.309 20 30 GGEDRN Cc1sc(=O)n(CCC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc32)c1C ZINC000115904263 1412813650 /nfs/dbraw/zinc/81/36/50/1412813650.db2.gz DFLLBOWOQJOQOW-QGZVFWFLSA-N 0 0 393.468 3.418 20 30 GGEDRN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)C[C@H]1OCCc2ccccc21 ZINC000115904474 1412813779 /nfs/dbraw/zinc/81/37/79/1412813779.db2.gz SLCWQYRTMUSPAV-DYESRHJHSA-N 0 0 378.428 3.437 20 30 GGEDRN N#CC(C(=O)C[C@H]1CCc2ccccc21)c1nc(N)nc(Nc2ccccc2)n1 ZINC000115902808 1412813802 /nfs/dbraw/zinc/81/38/02/1412813802.db2.gz FPSSFTGLGWVVPI-CRAIPNDOSA-N 0 0 384.443 3.494 20 30 GGEDRN Cc1nc(-c2cnn(C)c2)sc1C(=O)[C@H](C#N)C(=O)Nc1cccc(C)c1 ZINC000115903726 1412813820 /nfs/dbraw/zinc/81/38/20/1412813820.db2.gz PEQDQSGPTMRRCX-HNNXBMFYSA-N 0 0 379.445 3.122 20 30 GGEDRN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)C[C@H]2CCc3ccccc32)cc1 ZINC000115905786 1412813999 /nfs/dbraw/zinc/81/39/99/1412813999.db2.gz WTFUPJIMEFALOO-NQIIRXRSSA-N 0 0 376.456 3.183 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C[C@H]2CCc3ccccc32)cc1 ZINC000115905787 1412814095 /nfs/dbraw/zinc/81/40/95/1412814095.db2.gz WTFUPJIMEFALOO-WIYYLYMNSA-N 0 0 376.456 3.183 20 30 GGEDRN Cc1cc(C)n(-c2ccc(CNC(=O)CSCC#N)c(C(F)(F)F)c2)n1 ZINC000115910527 1412814543 /nfs/dbraw/zinc/81/45/43/1412814543.db2.gz DCLADQWZRRYKPD-UHFFFAOYSA-N 0 0 382.411 3.381 20 30 GGEDRN CCOC(=O)CCS(=O)(=O)O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC000115958265 1412817834 /nfs/dbraw/zinc/81/78/34/1412817834.db2.gz AWRFJRGVLICSGV-LBPRGKRZSA-N 0 0 388.791 3.113 20 30 GGEDRN COc1cc(/C=C/C(=O)c2cnccn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000115962630 1412818108 /nfs/dbraw/zinc/81/81/08/1412818108.db2.gz ABXMCERADFOVCE-NSCUHMNNSA-N 0 0 383.282 3.231 20 30 GGEDRN CC(C)(C)OC(=O)NC1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000116073965 1412828609 /nfs/dbraw/zinc/82/86/09/1412828609.db2.gz KFCOLRCWEHAVNM-UHFFFAOYSA-N 0 0 381.480 3.368 20 30 GGEDRN CC(C)(C)[C@@H]1CCCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000116089063 1412830025 /nfs/dbraw/zinc/83/00/25/1412830025.db2.gz DIACUCOTMJPUTQ-GOSISDBHSA-N 0 0 376.522 3.148 20 30 GGEDRN N#CC1(C(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)CCOCC1 ZINC000116088437 1412830036 /nfs/dbraw/zinc/83/00/36/1412830036.db2.gz ASMXHVDWFXZNEP-UHFFFAOYSA-N 0 0 398.484 3.060 20 30 GGEDRN N#CCCN(Cc1cccnc1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000116099624 1412831972 /nfs/dbraw/zinc/83/19/72/1412831972.db2.gz CBPQLEWPIBSXEH-UHFFFAOYSA-N 0 0 389.434 3.451 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cc1 ZINC000116101530 1412832514 /nfs/dbraw/zinc/83/25/14/1412832514.db2.gz WPSKOXCZKBHCFI-UHFFFAOYSA-N 0 0 385.489 3.242 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1(c2nccs2)CCCC1 ZINC000116105073 1412832757 /nfs/dbraw/zinc/83/27/57/1412832757.db2.gz SVERVPOOXJUJKH-UHFFFAOYSA-N 0 0 394.504 3.193 20 30 GGEDRN COCCCn1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)n1 ZINC000116155849 1412837816 /nfs/dbraw/zinc/83/78/16/1412837816.db2.gz ZSYOGKZGPPNPAL-UHFFFAOYSA-N 0 0 380.404 3.216 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000116167389 1412839129 /nfs/dbraw/zinc/83/91/29/1412839129.db2.gz VLEBUUAAMHJKNX-ABSDTBQOSA-N 0 0 381.426 3.477 20 30 GGEDRN C=CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)c1nc2c(s1)CCCC2 ZINC000116172361 1412839458 /nfs/dbraw/zinc/83/94/58/1412839458.db2.gz ZCCTUHVVTJKXRL-UHFFFAOYSA-N 0 0 375.454 3.044 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)cc1Cl ZINC000116223110 1412844662 /nfs/dbraw/zinc/84/46/62/1412844662.db2.gz RVWULZZRVMDRQQ-IAQYHMDHSA-N 0 0 375.762 3.101 20 30 GGEDRN C[C@@](C#N)(NC(=O)CNc1ccc(C(=O)N2CCc3ccccc32)cc1)C1CC1 ZINC000116286301 1412847484 /nfs/dbraw/zinc/84/74/84/1412847484.db2.gz AQBZOPYLAXQNDK-QHCPKHFHSA-N 0 0 388.471 3.110 20 30 GGEDRN C=CCn1c(Cc2csc(NC(=O)c3cnc(C)s3)n2)n[nH]c1=S ZINC000116373712 1412853424 /nfs/dbraw/zinc/85/34/24/1412853424.db2.gz LXBAOVDMWSHBAM-UHFFFAOYSA-N 0 0 378.508 3.191 20 30 GGEDRN C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1OCC(=O)NCC1CC1 ZINC000116401423 1412854959 /nfs/dbraw/zinc/85/49/59/1412854959.db2.gz SDZUDIGJNMTCSD-QFIPXVFZSA-N 0 0 391.471 3.344 20 30 GGEDRN N#CCCN(Cc1ccco1)C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000116408347 1412855948 /nfs/dbraw/zinc/85/59/48/1412855948.db2.gz SKLNSANWBIAUMY-UHFFFAOYSA-N 0 0 398.507 3.180 20 30 GGEDRN N#CCCN(Cc1ccco1)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000116408319 1412856083 /nfs/dbraw/zinc/85/60/83/1412856083.db2.gz OFOQYDUPONDWQF-UHFFFAOYSA-N 0 0 383.492 3.245 20 30 GGEDRN C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000177308330 1428681621 /nfs/dbraw/zinc/68/16/21/1428681621.db2.gz FSUKZXLFVRKZHM-UHFFFAOYSA-N 0 0 388.471 3.127 20 30 GGEDRN CC(C)(C)c1ccc([C@H](O)CNC(=O)NCc2cccc(OCC#N)c2)cc1 ZINC000116432636 1412859080 /nfs/dbraw/zinc/85/90/80/1412859080.db2.gz ASIJMIGSFHMVLH-HXUWFJFHSA-N 0 0 381.476 3.419 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCCc1c[nH]c2cc(C)ccc12 ZINC000116442364 1412861178 /nfs/dbraw/zinc/86/11/78/1412861178.db2.gz SDAXFYCCFYROJK-UHFFFAOYSA-N 0 0 377.492 3.495 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](CO)c2ccccc2)cc1 ZINC000116491452 1412867917 /nfs/dbraw/zinc/86/79/17/1412867917.db2.gz SHHBCFIXCIIVQV-FQEVSTJZSA-N 0 0 379.460 3.356 20 30 GGEDRN CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000116497824 1412868762 /nfs/dbraw/zinc/86/87/62/1412868762.db2.gz JZXQNGMWDSLJSZ-KBPBESRZSA-N 0 0 394.422 3.365 20 30 GGEDRN N#Cc1cc(NC(=O)c2ccc(-n3cnnc3)cc2)ccc1OCC(F)(F)F ZINC000116506423 1412869962 /nfs/dbraw/zinc/86/99/62/1412869962.db2.gz WOHSOLXFJKTCEF-UHFFFAOYSA-N 0 0 387.321 3.332 20 30 GGEDRN CCOC(=O)NCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000116589059 1412884148 /nfs/dbraw/zinc/88/41/48/1412884148.db2.gz JNRWOVDMLYBRPA-UHFFFAOYSA-N 0 0 383.404 3.434 20 30 GGEDRN C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2)c1cccc(F)c1 ZINC000116593091 1412884807 /nfs/dbraw/zinc/88/48/07/1412884807.db2.gz NFMLLWLMVDJPKM-GUYCJALGSA-N 0 0 382.391 3.438 20 30 GGEDRN C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2)c1cccc(F)c1 ZINC000116593086 1412884925 /nfs/dbraw/zinc/88/49/25/1412884925.db2.gz NFMLLWLMVDJPKM-SUMWQHHRSA-N 0 0 382.391 3.438 20 30 GGEDRN C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2)c1cccc(F)c1 ZINC000116593089 1412884989 /nfs/dbraw/zinc/88/49/89/1412884989.db2.gz NFMLLWLMVDJPKM-CXAGYDPISA-N 0 0 382.391 3.438 20 30 GGEDRN COc1cc(Cn2cnc3ncccc3c2=O)ccc1OCc1cccc(C#N)c1 ZINC000116611509 1412886446 /nfs/dbraw/zinc/88/64/46/1412886446.db2.gz ILLQKCSLMCVUGO-UHFFFAOYSA-N 0 0 398.422 3.299 20 30 GGEDRN CN(CC(=O)NC1CC1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000116621306 1412888019 /nfs/dbraw/zinc/88/80/19/1412888019.db2.gz RLZNPAPKLOMMIF-UHFFFAOYSA-N 0 0 383.835 3.355 20 30 GGEDRN CN(CC(=O)NC1CC1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000116621308 1412888093 /nfs/dbraw/zinc/88/80/93/1412888093.db2.gz QHEJVMKORSUTTP-UHFFFAOYSA-N 0 0 383.835 3.355 20 30 GGEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000116627497 1412888709 /nfs/dbraw/zinc/88/87/09/1412888709.db2.gz VBMBPCDUNXLEGR-KRWDZBQOSA-N 0 0 383.835 3.402 20 30 GGEDRN CCc1cc(C#N)c(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc(OC)cc2)s1 ZINC000116632585 1412889209 /nfs/dbraw/zinc/88/92/09/1412889209.db2.gz BLLBHWPYWJVKMK-LBPRGKRZSA-N 0 0 392.502 3.239 20 30 GGEDRN CC[C@H]1C(=O)NCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000116641097 1412890411 /nfs/dbraw/zinc/89/04/11/1412890411.db2.gz ONTCCGQUIRYQKG-KRWDZBQOSA-N 0 0 383.835 3.355 20 30 GGEDRN C#Cc1cccc(N(CC)C(=O)[C@@H](C)CS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000116639813 1412890433 /nfs/dbraw/zinc/89/04/33/1412890433.db2.gz MABAFEBZBJDQFR-INIZCTEOSA-N 0 0 385.485 3.139 20 30 GGEDRN N#CCOc1ccccc1C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000116660433 1412893687 /nfs/dbraw/zinc/89/36/87/1412893687.db2.gz SCCKNKLMYYMUSV-AWEZNQCLSA-N 0 0 387.386 3.199 20 30 GGEDRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N(CCC#N)C(C)C)CC1 ZINC000116663807 1412894349 /nfs/dbraw/zinc/89/43/49/1412894349.db2.gz DRPCGZQBNLZVBG-UHFFFAOYSA-N 0 0 391.899 3.351 20 30 GGEDRN COCC[S@@](=O)Cc1cccc(NC(=O)CSc2ccc(C#N)cc2)c1 ZINC000116680855 1412895935 /nfs/dbraw/zinc/89/59/35/1412895935.db2.gz PAPFCJILVFJFJR-SANMLTNESA-N 0 0 388.514 3.184 20 30 GGEDRN COCC[S@](=O)Cc1cccc(NC(=O)CSc2ccc(C#N)cc2)c1 ZINC000116680858 1412895996 /nfs/dbraw/zinc/89/59/96/1412895996.db2.gz PAPFCJILVFJFJR-AREMUKBSSA-N 0 0 388.514 3.184 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCOC[C@@H]1c1ccc(C)o1 ZINC000116707503 1412899962 /nfs/dbraw/zinc/89/99/62/1412899962.db2.gz XSBIMVICNMKLKA-QGZVFWFLSA-N 0 0 384.432 3.227 20 30 GGEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCCCN2CCOCC2)c1 ZINC000116713944 1412902604 /nfs/dbraw/zinc/90/26/04/1412902604.db2.gz NHTLOZCBUZLCPK-UHFFFAOYSA-N 0 0 399.878 3.456 20 30 GGEDRN C[C@H](CN1CCOCC1)NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000116727843 1412907464 /nfs/dbraw/zinc/90/74/64/1412907464.db2.gz GIGYSWRGEFUOOI-OAHLLOKOSA-N 0 0 399.878 3.454 20 30 GGEDRN C[C@H](CN1CCOCC1)NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000116727866 1412907584 /nfs/dbraw/zinc/90/75/84/1412907584.db2.gz FZDTYVOHMVZAAI-OAHLLOKOSA-N 0 0 399.878 3.454 20 30 GGEDRN N#CCCN(Cc1cccnc1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116737218 1412911405 /nfs/dbraw/zinc/91/14/05/1412911405.db2.gz IHBZYYZZLRYJDD-UHFFFAOYSA-N 0 0 388.811 3.355 20 30 GGEDRN COc1cc([C@@H](C#N)NC(=O)Cn2ccc3ccccc32)cc(OC)c1OC ZINC000116739177 1412911865 /nfs/dbraw/zinc/91/18/65/1412911865.db2.gz NWFRWTHSEBJPTH-MRXNPFEDSA-N 0 0 379.416 3.048 20 30 GGEDRN COc1cc([C@@H](C#N)NC(=O)c2ccc(OCC3CC3)cc2)cc(OC)c1OC ZINC000116739201 1412912094 /nfs/dbraw/zinc/91/20/94/1412912094.db2.gz BZULNDGMBCRCOU-GOSISDBHSA-N 0 0 396.443 3.496 20 30 GGEDRN CC1(C)C(=O)NCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000116750000 1412916271 /nfs/dbraw/zinc/91/62/71/1412916271.db2.gz HRQQTYPPGJWOPV-UHFFFAOYSA-N 0 0 383.835 3.355 20 30 GGEDRN CN1C(=S)N=NC1CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000116750785 1412916695 /nfs/dbraw/zinc/91/66/95/1412916695.db2.gz UCGGQVRKBBEVAI-UHFFFAOYSA-N 0 0 399.863 3.351 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cccc(-n4cccn4)c3)C2)c(F)c1 ZINC000116758281 1412917635 /nfs/dbraw/zinc/91/76/35/1412917635.db2.gz DASBLQDPIQRGJE-GOSISDBHSA-N 0 0 389.434 3.282 20 30 GGEDRN Cc1ccc(C(=O)NCCC(=O)Nc2cccc(C#Cc3ccccn3)c2)c(O)c1 ZINC000116773378 1412920762 /nfs/dbraw/zinc/92/07/62/1412920762.db2.gz IVEYKVIYQVYARG-UHFFFAOYSA-N 0 0 399.450 3.254 20 30 GGEDRN COc1ccc(-c2nnc(SCC(=O)N[C@]3(C#N)CCC[C@H](C)C3)o2)cc1 ZINC000116799645 1412924609 /nfs/dbraw/zinc/92/46/09/1412924609.db2.gz ILRAYPKWTLCHJD-ORAYPTAESA-N 0 0 386.477 3.426 20 30 GGEDRN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000116801801 1412924997 /nfs/dbraw/zinc/92/49/97/1412924997.db2.gz GCWWHAVAFRCBAQ-PRWKNARSSA-N 0 0 399.520 3.031 20 30 GGEDRN Cc1occc1C(=O)Nc1nc(CC(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cs1 ZINC000116801340 1412925356 /nfs/dbraw/zinc/92/53/56/1412925356.db2.gz IZUMMVOOWVPUFD-BUXKBTBVSA-N 0 0 386.477 3.428 20 30 GGEDRN COc1cccc(-n2c(C)nnc2SCC(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000116802913 1412925433 /nfs/dbraw/zinc/92/54/33/1412925433.db2.gz SWBCGTVYTKJSPR-VLIAUNLRSA-N 0 0 399.520 3.265 20 30 GGEDRN C[C@H]1CCC[C@@](C#N)(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)C1 ZINC000116807085 1412926145 /nfs/dbraw/zinc/92/61/45/1412926145.db2.gz FGFKRAFDKVLKDR-FDDCHVKYSA-N 0 0 397.519 3.283 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)CCCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000116805295 1412926246 /nfs/dbraw/zinc/92/62/46/1412926246.db2.gz NUUHDSDPDFOXTK-UZLBHIALSA-N 0 0 392.521 3.228 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1 ZINC000116806513 1412926293 /nfs/dbraw/zinc/92/62/93/1412926293.db2.gz LWONTYWOVMGNTJ-MGPUTAFESA-N 0 0 391.537 3.228 20 30 GGEDRN C[C@H]1CCC[C@@](C#N)(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)C1 ZINC000116808028 1412926367 /nfs/dbraw/zinc/92/63/67/1412926367.db2.gz LXTPCXPWEOCIRO-LHSJRXKWSA-N 0 0 398.532 3.316 20 30 GGEDRN C[C@H]1CCC[C@@](C#N)(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)C1 ZINC000116813656 1412927661 /nfs/dbraw/zinc/92/76/61/1412927661.db2.gz RSGDUQTUKWSPAL-YCRPNKLZSA-N 0 0 381.432 3.499 20 30 GGEDRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)ccc1C ZINC000116812773 1412927907 /nfs/dbraw/zinc/92/79/07/1412927907.db2.gz HGMLHVPUDCLQLJ-YWZLYKJASA-N 0 0 391.537 3.228 20 30 GGEDRN Cc1c(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)nnn1-c1ccc(OC(F)F)cc1 ZINC000116813052 1412928343 /nfs/dbraw/zinc/92/83/43/1412928343.db2.gz UDJORZQRJDREBO-BUXKBTBVSA-N 0 0 389.406 3.379 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000177321817 1428688613 /nfs/dbraw/zinc/68/86/13/1428688613.db2.gz JWDVCAYRRBXXMZ-NSHDSACASA-N 0 0 395.806 3.078 20 30 GGEDRN C=CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1 ZINC000116851099 1412942162 /nfs/dbraw/zinc/94/21/62/1412942162.db2.gz RRNIMEYVVOVIJU-HNNXBMFYSA-N 0 0 388.489 3.215 20 30 GGEDRN C=CC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000116851007 1412942258 /nfs/dbraw/zinc/94/22/58/1412942258.db2.gz VFIWJECNTDIQMP-QGZVFWFLSA-N 0 0 378.538 3.265 20 30 GGEDRN C=CC[C@@H](C)NC(=O)c1cn(CCC#N)nc1-c1ccc(OC)c([N+](=O)[O-])c1 ZINC000116849439 1412942565 /nfs/dbraw/zinc/94/25/65/1412942565.db2.gz RFQGNGHYAFECDW-CYBMUJFWSA-N 0 0 383.408 3.075 20 30 GGEDRN C=CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000116858414 1412943149 /nfs/dbraw/zinc/94/31/49/1412943149.db2.gz FUVFYACPWDSOKU-MRXNPFEDSA-N 0 0 390.549 3.047 20 30 GGEDRN C=CC[C@@H](C)NC(=O)CCc1nc(-c2cc(Cl)c(OC)c(OC)c2)no1 ZINC000116862375 1412943436 /nfs/dbraw/zinc/94/34/36/1412943436.db2.gz IZWXSRZPKRIWCH-LLVKDONJSA-N 0 0 379.844 3.421 20 30 GGEDRN Cc1nccc(-c2cccc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)c2)n1 ZINC000116868452 1412945173 /nfs/dbraw/zinc/94/51/73/1412945173.db2.gz GTBCJDRFTWAFKV-UHFFFAOYSA-N 0 0 387.443 3.200 20 30 GGEDRN Cc1ccc(-c2csc(CC(N)=NOCc3ccc(C(N)=O)cc3)n2)cc1 ZINC000116873888 1412946098 /nfs/dbraw/zinc/94/60/98/1412946098.db2.gz BUWLNLHKDXESID-UHFFFAOYSA-N 0 0 380.473 3.249 20 30 GGEDRN Cc1ccc(-c2csc(CC(N)=NOCC(=O)NCc3ccccc3)n2)cc1 ZINC000116873826 1412946478 /nfs/dbraw/zinc/94/64/78/1412946478.db2.gz ROWUUJVRPJZWST-UHFFFAOYSA-N 0 0 394.500 3.266 20 30 GGEDRN CCNC(=O)CN(CC)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000116877069 1412947052 /nfs/dbraw/zinc/94/70/52/1412947052.db2.gz KKHBNILCVUKBAT-UHFFFAOYSA-N 0 0 381.476 3.104 20 30 GGEDRN COc1cc(CN2CCNC(=O)[C@@H]2C(C)C)ccc1OCc1cccc(C#N)c1 ZINC000116878533 1412947482 /nfs/dbraw/zinc/94/74/82/1412947482.db2.gz JHYDPRVGFTYSJJ-QFIPXVFZSA-N 0 0 393.487 3.102 20 30 GGEDRN C=CCc1ccc(OC[C@@H](O)CN2CCOC[C@@H]2c2ccc(C)o2)c(OC)c1 ZINC000116892840 1412950689 /nfs/dbraw/zinc/95/06/89/1412950689.db2.gz LJEUYWUKRXPWTD-RBUKOAKNSA-N 0 0 387.476 3.138 20 30 GGEDRN Cc1ccc([C@@H]2COCCN2Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)o1 ZINC000116894763 1412951707 /nfs/dbraw/zinc/95/17/07/1412951707.db2.gz ODOGYQJQKYSBMH-APWZRJJASA-N 0 0 388.427 3.199 20 30 GGEDRN Cc1ccc(OC2CCN([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000116908021 1412953691 /nfs/dbraw/zinc/95/36/91/1412953691.db2.gz RYYLDGPUVXIGJH-NRFANRHFSA-N 0 0 389.455 3.042 20 30 GGEDRN N#Cc1ccc(CN2CCN(C(=O)CCCc3nc4ccccc4[nH]3)CC2)cc1 ZINC000116924657 1412955883 /nfs/dbraw/zinc/95/58/83/1412955883.db2.gz XIWLRNXJTIVTSC-UHFFFAOYSA-N 0 0 387.487 3.102 20 30 GGEDRN N#Cc1ccc(CNC(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)cc1 ZINC000116942321 1412959702 /nfs/dbraw/zinc/95/97/02/1412959702.db2.gz BYXHEEQCPJUCLW-INIZCTEOSA-N 0 0 386.402 3.238 20 30 GGEDRN C=CC[C@H](C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000116974264 1412969608 /nfs/dbraw/zinc/96/96/08/1412969608.db2.gz KOYWWSZCGWMPRF-LBPRGKRZSA-N 0 0 386.374 3.410 20 30 GGEDRN C=CC[C@@H](C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000116974265 1412969758 /nfs/dbraw/zinc/96/97/58/1412969758.db2.gz KOYWWSZCGWMPRF-GFCCVEGCSA-N 0 0 386.374 3.410 20 30 GGEDRN C=CC[C@@H](C)NC(=O)N1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000116974224 1412969994 /nfs/dbraw/zinc/96/99/94/1412969994.db2.gz GJQVESHGOOGTFN-KGLIPLIRSA-N 0 0 375.498 3.151 20 30 GGEDRN COc1cc(C[S@](=O)CCn2cccn2)ccc1OCc1cccc(C#N)c1 ZINC000116993592 1412974171 /nfs/dbraw/zinc/97/41/71/1412974171.db2.gz GNQNUIBLLPYMCP-NDEPHWFRSA-N 0 0 395.484 3.291 20 30 GGEDRN C=CC[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1 ZINC000116998698 1412975561 /nfs/dbraw/zinc/97/55/61/1412975561.db2.gz XIADLESKKRAMKC-CQSZACIVSA-N 0 0 378.498 3.024 20 30 GGEDRN C=CC[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 ZINC000117002329 1412976258 /nfs/dbraw/zinc/97/62/58/1412976258.db2.gz QORNLDYJOLOHCT-VGLIXDPASA-N 0 0 392.525 3.366 20 30 GGEDRN C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(OCC(C)C)nc1 ZINC000117063672 1412991111 /nfs/dbraw/zinc/99/11/11/1412991111.db2.gz RYKDTMCQMDMKQA-UHFFFAOYSA-N 0 0 381.476 3.312 20 30 GGEDRN C#CCOc1ccc(NC(=O)C(=O)N2CCC(Oc3ccc(C)cc3)CC2)cc1 ZINC000117071585 1412992642 /nfs/dbraw/zinc/99/26/42/1412992642.db2.gz DXEJCSKIKFCXLK-UHFFFAOYSA-N 0 0 392.455 3.016 20 30 GGEDRN C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000117075274 1412993911 /nfs/dbraw/zinc/99/39/11/1412993911.db2.gz NQKMRCTVADRWRD-LBPRGKRZSA-N 0 0 386.839 3.007 20 30 GGEDRN C=CC[C@H](C)NC(=O)C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC000117075704 1412994366 /nfs/dbraw/zinc/99/43/66/1412994366.db2.gz HYDDYOSVUNHJPK-JTQLQIEISA-N 0 0 381.404 3.431 20 30 GGEDRN C=CC[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1C ZINC000117077321 1412994637 /nfs/dbraw/zinc/99/46/37/1412994637.db2.gz NHBAFTSYRVYORB-ZOBUZTSGSA-N 0 0 385.508 3.132 20 30 GGEDRN C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000117079577 1412994661 /nfs/dbraw/zinc/99/46/61/1412994661.db2.gz UOCSSQSJPVZWCU-INIZCTEOSA-N 0 0 377.444 3.351 20 30 GGEDRN C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000117078489 1412994766 /nfs/dbraw/zinc/99/47/66/1412994766.db2.gz FWDPTTSDLIXZTF-CQSZACIVSA-N 0 0 381.407 3.296 20 30 GGEDRN C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000117078486 1412994969 /nfs/dbraw/zinc/99/49/69/1412994969.db2.gz FWDPTTSDLIXZTF-AWEZNQCLSA-N 0 0 381.407 3.296 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N2CCOC[C@@H]2c2ccc(C)o2)c1 ZINC000117080701 1412995623 /nfs/dbraw/zinc/99/56/23/1412995623.db2.gz STQOCRAYPRROTF-GOSISDBHSA-N 0 0 384.432 3.082 20 30 GGEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCCS2(=O)=O)c1 ZINC000117082835 1412996083 /nfs/dbraw/zinc/99/60/83/1412996083.db2.gz SUUDGBGXFNHKQN-UHFFFAOYSA-N 0 0 376.821 3.180 20 30 GGEDRN CCO[C@@H](C)c1nc(CC(=O)N2CCN(c3ccccc3C#N)CC2)cs1 ZINC000117138976 1413005122 /nfs/dbraw/zinc/00/51/22/1413005122.db2.gz YUNDCGXOLBDNBC-HNNXBMFYSA-N 0 0 384.505 3.004 20 30 GGEDRN CCO[C@@H](C)c1nc(CC(=O)Nc2ccnn2-c2ccc(C#N)cc2)cs1 ZINC000117147144 1413005726 /nfs/dbraw/zinc/00/57/26/1413005726.db2.gz MELQQDAVUNHVMK-ZDUSSCGKSA-N 0 0 381.461 3.479 20 30 GGEDRN COc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000117209986 1413011935 /nfs/dbraw/zinc/01/19/35/1413011935.db2.gz FXQHNAKLQBOVAI-CQSZACIVSA-N 0 0 391.855 3.053 20 30 GGEDRN CCO[C@H](C)c1nc(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cs1 ZINC000117233817 1413016653 /nfs/dbraw/zinc/01/66/53/1413016653.db2.gz ZPACEFPGHCDWPO-VQIMIIECSA-N 0 0 398.532 3.192 20 30 GGEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000117245611 1413018328 /nfs/dbraw/zinc/01/83/28/1413018328.db2.gz RNAOFLMSAYIDJW-UHFFFAOYSA-N 0 0 390.399 3.359 20 30 GGEDRN O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117312673 1413024625 /nfs/dbraw/zinc/02/46/25/1413024625.db2.gz WTPMIRBZYVBIJN-UHFFFAOYSA-N 0 0 396.209 3.351 20 30 GGEDRN N#Cc1ccc(OC[C@@H](O)CN2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000117350810 1413028801 /nfs/dbraw/zinc/02/88/01/1413028801.db2.gz ZMCGNSONOFDSIC-LBPRGKRZSA-N 0 0 382.304 3.115 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(OC)c(C)c1C ZINC000117362166 1413030813 /nfs/dbraw/zinc/03/08/13/1413030813.db2.gz LCTFUPXWJFPVIW-UHFFFAOYSA-N 0 0 388.489 3.021 20 30 GGEDRN Cc1nc(-c2ccc(S(=O)(=O)Oc3ccc(C#N)cc3[N+](=O)[O-])cc2)co1 ZINC000117361994 1413031249 /nfs/dbraw/zinc/03/12/49/1413031249.db2.gz OAXBKXUHKIKEKJ-UHFFFAOYSA-N 0 0 385.357 3.198 20 30 GGEDRN Cc1cc(F)ccc1N1CCC[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000117368379 1413031531 /nfs/dbraw/zinc/03/15/31/1413031531.db2.gz ZLMYMCSSUMJZAB-IBGZPJMESA-N 0 0 387.480 3.094 20 30 GGEDRN N#CCc1ccc(OC[C@H](O)CN2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000117432520 1413035347 /nfs/dbraw/zinc/03/53/47/1413035347.db2.gz AJHUYKPLKGHIQZ-CYBMUJFWSA-N 0 0 396.331 3.309 20 30 GGEDRN N#CCc1ccc(OC[C@@H](O)CN2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000117432523 1413035993 /nfs/dbraw/zinc/03/59/93/1413035993.db2.gz AJHUYKPLKGHIQZ-ZDUSSCGKSA-N 0 0 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COC(=O)[C@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1 ZINC000124436752 1414968368 /nfs/dbraw/zinc/96/83/68/1414968368.db2.gz NYTPXPJMRAGRPS-PXAZEXFGSA-N 0 0 392.864 3.040 20 30 GGEDRN COC(=O)[C@H](C)[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000124438214 1414968873 /nfs/dbraw/zinc/96/88/73/1414968873.db2.gz HMYQNNIYHKZSPR-SJKOYZFVSA-N 0 0 392.864 3.040 20 30 GGEDRN Cc1cc(C(=O)CON=C(N)[C@H](C)OCC(C)C)c(C)n1Cc1ccco1 ZINC000177759532 1428851787 /nfs/dbraw/zinc/85/17/87/1428851787.db2.gz YWXSEHQWIWSYQT-INIZCTEOSA-N 0 0 375.469 3.279 20 30 GGEDRN CCCCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1(C)C ZINC000124450345 1414971302 /nfs/dbraw/zinc/97/13/02/1414971302.db2.gz HIKUKHUGEBTFLO-IAGOWNOFSA-N 0 0 395.481 3.071 20 30 GGEDRN CCCCO[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1(C)C ZINC000124450161 1414971613 /nfs/dbraw/zinc/97/16/13/1414971613.db2.gz HIKUKHUGEBTFLO-IRXDYDNUSA-N 0 0 395.481 3.071 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCC(Oc3ccccc3)CC2)c(F)c1 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Cc1nc(=NCC(=O)N2CCC(C#N)CC2)c2cc(-c3ccccc3)sc2[nH]1 ZINC000124553571 1414992420 /nfs/dbraw/zinc/99/24/20/1414992420.db2.gz AKNGUTYAVCFGFP-UHFFFAOYSA-N 0 0 391.500 3.263 20 30 GGEDRN Cn1c(COc2ccccc2)nnc1SCCC(=O)Nc1ccccc1C#N ZINC000124556826 1414993446 /nfs/dbraw/zinc/99/34/46/1414993446.db2.gz WAFWTRDFVADCHW-UHFFFAOYSA-N 0 0 393.472 3.387 20 30 GGEDRN CC[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1OCC(=O)N(C)C ZINC000124556637 1414993458 /nfs/dbraw/zinc/99/34/58/1414993458.db2.gz DYJXPXDTCBPPPW-IBGZPJMESA-N 0 0 394.475 3.492 20 30 GGEDRN Cc1cccn2cc(COc3ccc(C(=O)N[C@@]4(C#N)CCSC4)cc3)nc12 ZINC000124562740 1414994734 /nfs/dbraw/zinc/99/47/34/1414994734.db2.gz JBQZQBJUEUHMHD-OAQYLSRUSA-N 0 0 392.484 3.351 20 30 GGEDRN N#C[C@]1(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CCSC1 ZINC000124563666 1414994743 /nfs/dbraw/zinc/99/47/43/1414994743.db2.gz SVHMLMFTQFGUJV-GOSISDBHSA-N 0 0 381.486 3.125 20 30 GGEDRN Cc1ccc2nc(COc3ccc(C(=O)N[C@]4(C#N)CCSC4)cc3)cn2c1 ZINC000124562987 1414994749 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GGEDRN CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](CCC#N)c3ccccc3)cc2C[C@H]1C ZINC000124595865 1415002298 /nfs/dbraw/zinc/00/22/98/1415002298.db2.gz BUWRGSSIFBXOCM-QRWLVFNGSA-N 0 0 397.500 3.307 20 30 GGEDRN N#CCC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000124597727 1415002544 /nfs/dbraw/zinc/00/25/44/1415002544.db2.gz YTMAXACASPWSIJ-LJQANCHMSA-N 0 0 383.473 3.137 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 ZINC000124598184 1415002915 /nfs/dbraw/zinc/00/29/15/1415002915.db2.gz STNDVGMXZIAEDH-UHFFFAOYSA-N 0 0 392.459 3.131 20 30 GGEDRN C=CCCOCCNC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 ZINC000124605487 1415003607 /nfs/dbraw/zinc/00/36/07/1415003607.db2.gz OEPLEHMTWLAWFA-UHFFFAOYSA-N 0 0 388.489 3.375 20 30 GGEDRN COc1ccccc1-n1cc(S(=O)(=O)N[C@@H](CCC#N)c2ccccc2)cn1 ZINC000124608276 1415005005 /nfs/dbraw/zinc/00/50/05/1415005005.db2.gz OTISQSOMRWMOBH-SFHVURJKSA-N 0 0 396.472 3.204 20 30 GGEDRN COc1cc(F)c(S(=O)(=O)N[C@@H](CCC#N)c2ccccc2)cc1OC ZINC000124625097 1415008097 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GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCc3ccccc3[C@@H]2C)cc1 ZINC000124648527 1415013593 /nfs/dbraw/zinc/01/35/93/1415013593.db2.gz DUBRXTWIOZFSSX-HNNXBMFYSA-N 0 0 392.459 3.079 20 30 GGEDRN CC1(C)C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)c2ccccc21 ZINC000124658488 1415015373 /nfs/dbraw/zinc/01/53/73/1415015373.db2.gz VHNNWUXMKYAIBX-KRWDZBQOSA-N 0 0 381.407 3.205 20 30 GGEDRN C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000124664977 1415017182 /nfs/dbraw/zinc/01/71/82/1415017182.db2.gz VPIUHBRGWKNDCC-OAHLLOKOSA-N 0 0 379.460 3.378 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3N(C)C[C@@H]2C)cc1 ZINC000177780785 1428856941 /nfs/dbraw/zinc/85/69/41/1428856941.db2.gz WMGVCLNYMUDEDZ-INIZCTEOSA-N 0 0 378.476 3.475 20 30 GGEDRN CSc1nc(C)c(CCC(=O)[C@H](C#N)c2nc(C(C)C)cs2)c(=O)[nH]1 ZINC000177777224 1428856226 /nfs/dbraw/zinc/85/62/26/1428856226.db2.gz WXMHNJRIFWYYFF-LBPRGKRZSA-N 0 0 376.507 3.189 20 30 GGEDRN Cc1cc(NC(=O)[C@H](C)SCC(=O)[C@H](C#N)c2nc(C(C)C)cs2)no1 ZINC000177775875 1428856248 /nfs/dbraw/zinc/85/62/48/1428856248.db2.gz MIBHZNHSMAZCHX-RYUDHWBXSA-N 0 0 392.506 3.500 20 30 GGEDRN C=CCn1c(C2CC2)nn(CN2CCC[C@@H](C(=O)N[C@H](C)CCC)C2)c1=S ZINC000124694268 1415023308 /nfs/dbraw/zinc/02/33/08/1415023308.db2.gz ADQVIDHMKVTKPP-NVXWUHKLSA-N 0 0 391.585 3.452 20 30 GGEDRN CCN(CC(C)(C)O)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000177779216 1428856467 /nfs/dbraw/zinc/85/64/67/1428856467.db2.gz CTWWNLPXUVFSOP-UHFFFAOYSA-N 0 0 380.448 3.435 20 30 GGEDRN COc1cc(OCC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)ccc1[N+](=O)[O-] ZINC000177778546 1428856472 /nfs/dbraw/zinc/85/64/72/1428856472.db2.gz BYMHVECCIXVXQC-GFCCVEGCSA-N 0 0 375.406 3.439 20 30 GGEDRN CCc1cnc(CN(C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)s1 ZINC000177778140 1428856533 /nfs/dbraw/zinc/85/65/33/1428856533.db2.gz HGTPWYAANIFQTN-UHFFFAOYSA-N 0 0 395.450 3.324 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc(C)cc(C)c2)cc1 ZINC000124761379 1415038399 /nfs/dbraw/zinc/03/83/99/1415038399.db2.gz QPEZLZBQHQJVFO-INIZCTEOSA-N 0 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GGEDRN N#Cc1ccccc1OCCn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O ZINC000126497099 1415470087 /nfs/dbraw/zinc/47/00/87/1415470087.db2.gz KQNWQQXUKFBONS-UHFFFAOYSA-N 0 0 391.818 3.186 20 30 GGEDRN N#Cc1ccc(Cn2cnc(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)n2)cc1 ZINC000177997821 1428923709 /nfs/dbraw/zinc/92/37/09/1428923709.db2.gz SHIJGWVYLZEZTL-GJZGRUSLSA-N 0 0 379.370 3.218 20 30 GGEDRN CCc1c(C(=O)Nc2ccc(C#N)cn2)nnn1-c1ccc(OC(C)C)cc1 ZINC000126497951 1415470877 /nfs/dbraw/zinc/47/08/77/1415470877.db2.gz NVCZSCRCLROBFG-UHFFFAOYSA-N 0 0 376.420 3.136 20 30 GGEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000126502264 1415472345 /nfs/dbraw/zinc/47/23/45/1415472345.db2.gz ARGYMDJCBMYFSP-QGZVFWFLSA-N 0 0 375.428 3.152 20 30 GGEDRN C[C@H](Oc1ccccc1Cl)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000177998753 1428924661 /nfs/dbraw/zinc/92/46/61/1428924661.db2.gz OVEJBJUVOCWXRS-ZDUSSCGKSA-N 0 0 381.823 3.257 20 30 GGEDRN N#Cc1ccc(Cn2cnc(NC(=O)COc3ccc(F)c(Cl)c3)n2)cc1 ZINC000177999307 1428924696 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C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000126552851 1415488880 /nfs/dbraw/zinc/48/88/80/1415488880.db2.gz LFYDMCBLDPLJOJ-MRXNPFEDSA-N 0 0 385.430 3.277 20 30 GGEDRN Cc1nc(SCC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c(C#N)c(C)c1C ZINC000126556978 1415489654 /nfs/dbraw/zinc/48/96/54/1415489654.db2.gz NOPVSGWZWNQMLH-UGSOOPFHSA-N 0 0 383.521 3.277 20 30 GGEDRN COCCCOC1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000126558953 1415490294 /nfs/dbraw/zinc/49/02/94/1415490294.db2.gz GRSQDVWADRIBRF-UHFFFAOYSA-N 0 0 398.459 3.388 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000126559215 1415490337 /nfs/dbraw/zinc/49/03/37/1415490337.db2.gz NMRFHJHFXJDPCL-INIZCTEOSA-N 0 0 399.878 3.384 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000126558987 1415490723 /nfs/dbraw/zinc/49/07/23/1415490723.db2.gz NMRFHJHFXJDPCL-MRXNPFEDSA-N 0 0 399.878 3.384 20 30 GGEDRN C[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)CC1(C)OCCO1 ZINC000126560497 1415491459 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GGEDRN CCc1ccc(N2C[C@@H](C(=O)[C@H](C#N)C(=O)Nc3cccc(C)c3)CC2=O)cc1 ZINC000127677453 1415831335 /nfs/dbraw/zinc/83/13/35/1415831335.db2.gz XLDDJDOUYKCXEV-PXNSSMCTSA-N 0 0 389.455 3.258 20 30 GGEDRN CCc1ccc(N2C[C@H](C(=O)[C@H](C#N)C(=O)Nc3cccc(C)c3)CC2=O)cc1 ZINC000127677272 1415831616 /nfs/dbraw/zinc/83/16/16/1415831616.db2.gz XLDDJDOUYKCXEV-XLIONFOSSA-N 0 0 389.455 3.258 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000178162904 1429003531 /nfs/dbraw/zinc/00/35/31/1429003531.db2.gz HVVCYSXDTRYMOO-UHFFFAOYSA-N 0 0 382.439 3.446 20 30 GGEDRN N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000127687356 1415832871 /nfs/dbraw/zinc/83/28/71/1415832871.db2.gz HRJMPZJWRNYYEA-CYBMUJFWSA-N 0 0 393.384 3.074 20 30 GGEDRN CCc1ccccc1N1C[C@H](C(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)CC1=O ZINC000127687299 1415832934 /nfs/dbraw/zinc/83/29/34/1415832934.db2.gz REJFBCLCHYIASQ-IEBWSBKVSA-N 0 0 389.455 3.258 20 30 GGEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSCC(=O)OC(C)C)c1C#N ZINC000127689377 1415833533 /nfs/dbraw/zinc/83/35/33/1415833533.db2.gz HBOTYFFIXOKZNU-UHFFFAOYSA-N 0 0 389.477 3.241 20 30 GGEDRN Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1 ZINC000127692239 1415834286 /nfs/dbraw/zinc/83/42/86/1415834286.db2.gz HFFCRTZHOGUTMH-GOEBONIOSA-N 0 0 395.846 3.349 20 30 GGEDRN N#Cc1c(F)cccc1S(=O)(=O)Oc1ccc(Br)c(C=O)c1 ZINC000127694909 1415834719 /nfs/dbraw/zinc/83/47/19/1415834719.db2.gz SOXZPEVWLKGRMQ-UHFFFAOYSA-N 0 0 384.182 3.040 20 30 GGEDRN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000127706318 1415836721 /nfs/dbraw/zinc/83/67/21/1415836721.db2.gz OGDBDYLPDSVJGQ-SFHVURJKSA-N 0 0 380.404 3.443 20 30 GGEDRN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CCc2nnc(-c3ccsc3)o2)c1 ZINC000127734798 1415841349 /nfs/dbraw/zinc/84/13/49/1415841349.db2.gz KQCMYLUUKTYJOJ-HNNXBMFYSA-N 0 0 380.429 3.387 20 30 GGEDRN Cc1cccc(NC(=O)[C@H](C#N)C(=O)CCc2nnc(-c3ccsc3)o2)c1 ZINC000127735021 1415841358 /nfs/dbraw/zinc/84/13/58/1415841358.db2.gz KQCMYLUUKTYJOJ-OAHLLOKOSA-N 0 0 380.429 3.387 20 30 GGEDRN CC1(C)C[C@@H](NC(=O)C2(C#N)CCC2)C[C@@](C)(CNC(=O)C2(C#N)CCC2)C1 ZINC000127743017 1415842487 /nfs/dbraw/zinc/84/24/87/1415842487.db2.gz VVBMJUMNBPFYOI-OXQOHEQNSA-N 0 0 384.524 3.192 20 30 GGEDRN CSCC[C@H](C)N(C)C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000127744779 1415842951 /nfs/dbraw/zinc/84/29/51/1415842951.db2.gz PSMCISXTWHFPSE-INIZCTEOSA-N 0 0 381.501 3.020 20 30 GGEDRN C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCC2 ZINC000127776087 1415848360 /nfs/dbraw/zinc/84/83/60/1415848360.db2.gz MNIMHBXTJDSPDD-UHFFFAOYSA-N 0 0 384.501 3.363 20 30 GGEDRN CC(C)(C)OC(=O)NCCCC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000127784139 1415850227 /nfs/dbraw/zinc/85/02/27/1415850227.db2.gz KDOHCGSFPBQTGC-AWEZNQCLSA-N 0 0 396.285 3.435 20 30 GGEDRN Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cccc(NC(=O)NC(C)C)c2)c1 ZINC000127794238 1415851786 /nfs/dbraw/zinc/85/17/86/1415851786.db2.gz IHMSYDYFJJCOLM-GOSISDBHSA-N 0 0 378.432 3.486 20 30 GGEDRN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(NC(=O)NC(C)C)c2)c1 ZINC000127794038 1415851799 /nfs/dbraw/zinc/85/17/99/1415851799.db2.gz IHMSYDYFJJCOLM-SFHVURJKSA-N 0 0 378.432 3.486 20 30 GGEDRN N#Cc1ccc([C@H](O)CS(=O)(=O)Cc2csc(-c3ccsc3)n2)cc1 ZINC000127799153 1415852943 /nfs/dbraw/zinc/85/29/43/1415852943.db2.gz VVWBYVKXALTTEC-MRXNPFEDSA-N 0 0 390.511 3.392 20 30 GGEDRN CCC1(CO)CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000127808832 1415854769 /nfs/dbraw/zinc/85/47/69/1415854769.db2.gz HPYXTUGGEYXQBC-UHFFFAOYSA-N 0 0 377.916 3.380 20 30 GGEDRN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 ZINC000127818172 1415856735 /nfs/dbraw/zinc/85/67/35/1415856735.db2.gz KRIKELAVFYHIPS-KSSFIOAISA-N 0 0 395.846 3.349 20 30 GGEDRN O=C(C#Cc1ccc2c(c1)OCO2)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000127827966 1415858852 /nfs/dbraw/zinc/85/88/52/1415858852.db2.gz JKCYMXOAPQAVLD-QZTJIDSGSA-N 0 0 381.428 3.255 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)Cc1cccc(C(=O)OC)c1 ZINC000127844600 1415861839 /nfs/dbraw/zinc/86/18/39/1415861839.db2.gz GZFHCFOKXXBBMR-UHFFFAOYSA-N 0 0 386.473 3.087 20 30 GGEDRN Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000127850593 1415863113 /nfs/dbraw/zinc/86/31/13/1415863113.db2.gz KEQCYHUIERQDPN-RDTXWAMCSA-N 0 0 397.456 3.126 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnnn1Cc1ccco1 ZINC000127857482 1415864114 /nfs/dbraw/zinc/86/41/14/1415864114.db2.gz NMOUAWWSXLBRAL-CYBMUJFWSA-N 0 0 389.506 3.071 20 30 GGEDRN CSCCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000127863910 1415865635 /nfs/dbraw/zinc/86/56/35/1415865635.db2.gz RRQHISWURSJHMI-MRXNPFEDSA-N 0 0 387.892 3.413 20 30 GGEDRN CSCCNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000127863672 1415865681 /nfs/dbraw/zinc/86/56/81/1415865681.db2.gz RRQHISWURSJHMI-INIZCTEOSA-N 0 0 387.892 3.413 20 30 GGEDRN N#C[C@@H](C(=O)CCCNC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1 ZINC000127872199 1415867562 /nfs/dbraw/zinc/86/75/62/1415867562.db2.gz UZMYAYXUFVGOOK-KRWDZBQOSA-N 0 0 383.835 3.198 20 30 GGEDRN COc1cccc(NC2CCN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC2)c1 ZINC000127889944 1415870834 /nfs/dbraw/zinc/87/08/34/1415870834.db2.gz NTOMFGOXQBMKMZ-MRXNPFEDSA-N 0 0 379.460 3.437 20 30 GGEDRN N#Cc1cccc(OCCCNc2cccc(C(=O)N3CCC(CO)CC3)c2)c1 ZINC000127908542 1415873681 /nfs/dbraw/zinc/87/36/81/1415873681.db2.gz UFBNFUJIMWOFGW-UHFFFAOYSA-N 0 0 393.487 3.284 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000127915515 1415874831 /nfs/dbraw/zinc/87/48/31/1415874831.db2.gz VVHWZMDRHKXZPN-UHFFFAOYSA-N 0 0 388.489 3.339 20 30 GGEDRN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(-n3ccnc3)cc2)C1=O ZINC000127919511 1415875345 /nfs/dbraw/zinc/87/53/45/1415875345.db2.gz ASTJBYDRPHKXLP-OAQYLSRUSA-N 0 0 397.479 3.188 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127922114 1415876025 /nfs/dbraw/zinc/87/60/25/1415876025.db2.gz UGFDSENQOPUODN-UHFFFAOYSA-N 0 0 390.487 3.293 20 30 GGEDRN NC(=NOCc1nnc(-c2ccccc2)s1)c1ccc(N2CCCCC2)nc1 ZINC000127926884 1415877086 /nfs/dbraw/zinc/87/70/86/1415877086.db2.gz LRAWDOWKRBYWAK-UHFFFAOYSA-N 0 0 394.504 3.428 20 30 GGEDRN C=CCn1c(-c2ccccc2C)nn(CN2CC[C@@](C)(C(=O)OC)C2)c1=S ZINC000178188601 1429012970 /nfs/dbraw/zinc/01/29/70/1429012970.db2.gz ZFJQLPHHUIPHKY-HXUWFJFHSA-N 0 0 386.521 3.418 20 30 GGEDRN COCCNC(=O)c1ccc(Cl)c(NCCCOc2cccc(C#N)c2)c1 ZINC000127940023 1415879346 /nfs/dbraw/zinc/87/93/46/1415879346.db2.gz BRZJWEPCOXMQFZ-UHFFFAOYSA-N 0 0 387.867 3.469 20 30 GGEDRN N#C[C@H](C(=O)Nc1ccccc1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000127949387 1415881814 /nfs/dbraw/zinc/88/18/14/1415881814.db2.gz LOZNNQAYVUGWND-KRWDZBQOSA-N 0 0 388.427 3.392 20 30 GGEDRN C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@@](C)(C(=O)OC)C2)c1=S ZINC000178188381 1429013425 /nfs/dbraw/zinc/01/34/25/1429013425.db2.gz DYGJPEHVRVNDNR-HXUWFJFHSA-N 0 0 386.521 3.418 20 30 GGEDRN CCCCCCCCc1nnc(NC(=O)N[C@]2(C)CCS(=O)(=O)C2)s1 ZINC000127952407 1415882537 /nfs/dbraw/zinc/88/25/37/1415882537.db2.gz PCALGXGPXNPOPZ-MRXNPFEDSA-N 0 0 388.559 3.140 20 30 GGEDRN Cc1nn(Cc2ccccc2)c(C)c1/C=N/OCC(=O)N(C)Cc1ccco1 ZINC000178189572 1429013645 /nfs/dbraw/zinc/01/36/45/1429013645.db2.gz NJJPSPQGTIXIMD-WSDLNYQXSA-N 0 0 380.448 3.150 20 30 GGEDRN C=CCn1c(SCC(=O)NCc2cc(F)cc(F)c2)nnc1-c1ccco1 ZINC000127962364 1415884017 /nfs/dbraw/zinc/88/40/17/1415884017.db2.gz LUVUTJRYFVNKNA-UHFFFAOYSA-N 0 0 390.415 3.411 20 30 GGEDRN COCc1ccccc1CNC(=O)CSc1nc2c(cc1C#N)CCCC2 ZINC000127969093 1415885304 /nfs/dbraw/zinc/88/53/04/1415885304.db2.gz GCXVWDIXSPKQST-UHFFFAOYSA-N 0 0 381.501 3.387 20 30 GGEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCc2ccccc2[C@H]1CO ZINC000127974056 1415886469 /nfs/dbraw/zinc/88/64/69/1415886469.db2.gz SWYTYQLEQGKFMI-LJQANCHMSA-N 0 0 388.389 3.358 20 30 GGEDRN COc1cccc(NC2CCN(C(=O)[C@H](C)Oc3ccccc3C#N)CC2)c1 ZINC000128007136 1415892247 /nfs/dbraw/zinc/89/22/47/1415892247.db2.gz BOJXQKKXOVMRMA-INIZCTEOSA-N 0 0 379.460 3.437 20 30 GGEDRN COc1cccc(NC2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)c1 ZINC000128007369 1415892260 /nfs/dbraw/zinc/89/22/60/1415892260.db2.gz BOJXQKKXOVMRMA-MRXNPFEDSA-N 0 0 379.460 3.437 20 30 GGEDRN COc1ccccc1CN(CC(=O)Nc1oc(C)c(C)c1C#N)C[C@@H]1CCCO1 ZINC000128019364 1415894386 /nfs/dbraw/zinc/89/43/86/1415894386.db2.gz MJWHJARMCSKHEJ-SFHVURJKSA-N 0 0 397.475 3.396 20 30 GGEDRN COc1ccccc1CN(CC(=O)Nc1oc(C)c(C)c1C#N)C[C@H]1CCCO1 ZINC000128019571 1415894404 /nfs/dbraw/zinc/89/44/04/1415894404.db2.gz MJWHJARMCSKHEJ-GOSISDBHSA-N 0 0 397.475 3.396 20 30 GGEDRN N#Cc1ccsc1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000128043028 1415899966 /nfs/dbraw/zinc/89/99/66/1415899966.db2.gz IQQQXXFSLNHSTL-UHFFFAOYSA-N 0 0 381.866 3.065 20 30 GGEDRN N#CCCN(Cc1cccnc1)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000128048877 1415900662 /nfs/dbraw/zinc/90/06/62/1415900662.db2.gz NGBVLALKAWOHRV-UHFFFAOYSA-N 0 0 389.209 3.308 20 30 GGEDRN N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000128052391 1415901126 /nfs/dbraw/zinc/90/11/26/1415901126.db2.gz BXYRMUMGXNKMDR-FQEVSTJZSA-N 0 0 395.422 3.441 20 30 GGEDRN N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000128052169 1415901264 /nfs/dbraw/zinc/90/12/64/1415901264.db2.gz BXYRMUMGXNKMDR-HXUWFJFHSA-N 0 0 395.422 3.441 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1OC ZINC000128054959 1415901773 /nfs/dbraw/zinc/90/17/73/1415901773.db2.gz OJWZAHHWNTWVKX-RLDKPVTASA-N 0 0 385.382 3.187 20 30 GGEDRN CCC(=O)N1CC[C@H](C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000128053151 1415902050 /nfs/dbraw/zinc/90/20/50/1415902050.db2.gz KOPYBJMUFTXVHW-SFHVURJKSA-N 0 0 377.444 3.334 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000128062950 1415903850 /nfs/dbraw/zinc/90/38/50/1415903850.db2.gz TVDKNRMPHWWQII-LIVBEALHSA-N 0 0 395.450 3.104 20 30 GGEDRN N#Cc1cccc(NC(=O)CNc2cc(Cl)ccc2N2CCC(CO)CC2)c1 ZINC000128074470 1415906328 /nfs/dbraw/zinc/90/63/28/1415906328.db2.gz AIJGSGPCGZXZNJ-UHFFFAOYSA-N 0 0 398.894 3.471 20 30 GGEDRN N#Cc1ccc(NC(=O)CNc2cc(Cl)ccc2N2CCC(CO)CC2)cc1 ZINC000128079965 1415907014 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3.102 20 30 GGEDRN CC(C)(C)[C@@H](C#N)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC000129098618 1416144387 /nfs/dbraw/zinc/14/43/87/1416144387.db2.gz HKKQVMDPJCZCFY-OAHLLOKOSA-N 0 0 399.476 3.326 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000178383462 1429066015 /nfs/dbraw/zinc/06/60/15/1429066015.db2.gz GWXLUDOTBRDQSA-GOSISDBHSA-N 0 0 377.444 3.123 20 30 GGEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000129113643 1416147928 /nfs/dbraw/zinc/14/79/28/1416147928.db2.gz LNHGLPWDASQZBN-IBGZPJMESA-N 0 0 378.432 3.130 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1cc(-c2ccccc2)on1 ZINC000129117760 1416148917 /nfs/dbraw/zinc/14/89/17/1416148917.db2.gz FBCIZHWWSFGBEU-UHFFFAOYSA-N 0 0 375.428 3.431 20 30 GGEDRN CCNC(=O)N1CCc2ccc(NC(=O)N(CCC#N)Cc3ccccn3)cc21 ZINC000129121631 1416150405 /nfs/dbraw/zinc/15/04/05/1416150405.db2.gz KDNKLZYJUUECBS-UHFFFAOYSA-N 0 0 392.463 3.121 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000178388363 1429067594 /nfs/dbraw/zinc/06/75/94/1429067594.db2.gz IGQLDVCGSUCZQP-UHFFFAOYSA-N 0 0 397.500 3.053 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000178389313 1429067644 /nfs/dbraw/zinc/06/76/44/1429067644.db2.gz LEKHCSAIWQEJDG-UHFFFAOYSA-N 0 0 395.440 3.191 20 30 GGEDRN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N(CCC#N)c2cccc(C)c2)c1C ZINC000178391212 1429068126 /nfs/dbraw/zinc/06/81/26/1429068126.db2.gz ANLQSJAHIUMKJG-UHFFFAOYSA-N 0 0 389.477 3.226 20 30 GGEDRN C#Cc1cccc(N(CC)C(=O)c2cnn(CCO[C@@H]3CCCCO3)c2C)c1 ZINC000129142364 1416155689 /nfs/dbraw/zinc/15/56/89/1416155689.db2.gz YKNNQOURXPNXLE-OAQYLSRUSA-N 0 0 381.476 3.383 20 30 GGEDRN Cc1ccccc1CNC(=O)CON=C(N)c1ccc(Oc2ccccc2)nc1 ZINC000129159718 1416159718 /nfs/dbraw/zinc/15/97/18/1416159718.db2.gz HOQGPESLLSFRHF-UHFFFAOYSA-N 0 0 390.443 3.136 20 30 GGEDRN NC(=NOCC(=O)Nc1ccc(F)cc1F)c1ccc(Oc2ccccc2)nc1 ZINC000129161733 1416160177 /nfs/dbraw/zinc/16/01/77/1416160177.db2.gz RSORFHIQLSXMDJ-UHFFFAOYSA-N 0 0 398.369 3.428 20 30 GGEDRN COc1cc(NCc2cc(C#N)ccc2F)ccc1S(=O)(=O)N1CCCC1 ZINC000178401336 1429070041 /nfs/dbraw/zinc/07/00/41/1429070041.db2.gz KDEXTLMVFHYWOA-UHFFFAOYSA-N 0 0 389.452 3.103 20 30 GGEDRN N#Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)c1 ZINC000129186884 1416166012 /nfs/dbraw/zinc/16/60/12/1416166012.db2.gz LEWQCXNIBDCJIV-QGZVFWFLSA-N 0 0 394.500 3.449 20 30 GGEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000129201217 1416169648 /nfs/dbraw/zinc/16/96/48/1416169648.db2.gz HIQLEMZNKPUHII-SFHVURJKSA-N 0 0 386.492 3.388 20 30 GGEDRN N#Cc1ccc(CSc2nnc(NC(=O)c3n[nH]c4c3CCC4)s2)cc1 ZINC000129205191 1416170101 /nfs/dbraw/zinc/17/01/01/1416170101.db2.gz UEPZUGNNSQMWIK-UHFFFAOYSA-N 0 0 382.474 3.166 20 30 GGEDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(C#N)c2C)ccc1[N+](=O)[O-] ZINC000178405429 1429071536 /nfs/dbraw/zinc/07/15/36/1429071536.db2.gz YMQRZMLBHSPLOV-IBGZPJMESA-N 0 0 392.415 3.327 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCCNc1ccccc1 ZINC000129212791 1416172159 /nfs/dbraw/zinc/17/21/59/1416172159.db2.gz NLGVLBIQGDMASW-MRXNPFEDSA-N 0 0 396.516 3.495 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000178407961 1429071835 /nfs/dbraw/zinc/07/18/35/1429071835.db2.gz QNRGGTVXAKVPLU-UHFFFAOYSA-N 0 0 375.350 3.183 20 30 GGEDRN Cc1cccc(N2C(=O)N[C@@H](CCC(=O)Nc3cccc(C#N)c3C)C2=O)c1 ZINC000178407036 1429071910 /nfs/dbraw/zinc/07/19/10/1429071910.db2.gz OUYMBFAAOYKMFE-SFHVURJKSA-N 0 0 376.416 3.019 20 30 GGEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccnc1OCC(F)F ZINC000129223354 1416173859 /nfs/dbraw/zinc/17/38/59/1416173859.db2.gz YRXKOTNZQYRPCL-UHFFFAOYSA-N 0 0 388.374 3.345 20 30 GGEDRN COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(C#N)c2C)cc1 ZINC000178408272 1429072025 /nfs/dbraw/zinc/07/20/25/1429072025.db2.gz AFXVIIGRIQTLCA-UHFFFAOYSA-N 0 0 393.472 3.495 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2sc(Cl)nc2C)cc1 ZINC000129227084 1416175145 /nfs/dbraw/zinc/17/51/45/1416175145.db2.gz FLCHZYICIBJNAG-UHFFFAOYSA-N 0 0 385.898 3.164 20 30 GGEDRN N#CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000129236110 1416176980 /nfs/dbraw/zinc/17/69/80/1416176980.db2.gz UZBIZVKFPUGQJP-VEGGFIAOSA-N 0 0 387.443 3.051 20 30 GGEDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)C(=O)Nc2cccc(C#N)c2C)c1 ZINC000178422767 1429074333 /nfs/dbraw/zinc/07/43/33/1429074333.db2.gz GKLUQBGFCKPUGG-AWEZNQCLSA-N 0 0 392.459 3.106 20 30 GGEDRN COc1cc(OC)cc(S(=O)(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000178424976 1429074964 /nfs/dbraw/zinc/07/49/64/1429074964.db2.gz WOZCVMDRVBWUEO-UHFFFAOYSA-N 0 0 399.390 3.053 20 30 GGEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000178424968 1429075009 /nfs/dbraw/zinc/07/50/09/1429075009.db2.gz WDGJFMMTXCFCAH-KRWDZBQOSA-N 0 0 389.459 3.165 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)c1 ZINC000129293949 1416186450 /nfs/dbraw/zinc/18/64/50/1416186450.db2.gz ZLVOHWGHDZUCGI-UHFFFAOYSA-N 0 0 376.416 3.404 20 30 GGEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000129302211 1416187865 /nfs/dbraw/zinc/18/78/65/1416187865.db2.gz BKENROFNPMFSTH-SFHVURJKSA-N 0 0 390.436 3.143 20 30 GGEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000129302456 1416187967 /nfs/dbraw/zinc/18/79/67/1416187967.db2.gz BKENROFNPMFSTH-GOSISDBHSA-N 0 0 390.436 3.143 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)CN(C)Cc2ccc([S@](C)=O)cc2)c1C ZINC000178428731 1429075216 /nfs/dbraw/zinc/07/52/16/1429075216.db2.gz QCFXWLKWVZQIIO-NDEPHWFRSA-N 0 0 397.544 3.420 20 30 GGEDRN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000129319765 1416190847 /nfs/dbraw/zinc/19/08/47/1416190847.db2.gz LXLQFBAQTUJCNB-NRFANRHFSA-N 0 0 382.508 3.237 20 30 GGEDRN C#CCOc1ccc(Br)cc1CNc1cccc(NC(=O)CO)c1 ZINC000129339230 1416193515 /nfs/dbraw/zinc/19/35/15/1416193515.db2.gz ABIFLVWBEHCOGV-UHFFFAOYSA-N 0 0 389.249 3.004 20 30 GGEDRN N#Cc1ncn(CC(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)n1 ZINC000178429750 1429075601 /nfs/dbraw/zinc/07/56/01/1429075601.db2.gz OGZIOIJEDFDVMS-UHFFFAOYSA-N 0 0 386.242 3.362 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccnc2Br)c1 ZINC000129345189 1416194524 /nfs/dbraw/zinc/19/45/24/1416194524.db2.gz FQBFYMLHNGLXRT-UHFFFAOYSA-N 0 0 390.237 3.376 20 30 GGEDRN CC(C)(CO)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000129350485 1416195297 /nfs/dbraw/zinc/19/52/97/1416195297.db2.gz CVZWTQPSRLONPG-INIZCTEOSA-N 0 0 392.908 3.292 20 30 GGEDRN CC(C)(CO)[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000129350683 1416195493 /nfs/dbraw/zinc/19/54/93/1416195493.db2.gz CVZWTQPSRLONPG-MRXNPFEDSA-N 0 0 392.908 3.292 20 30 GGEDRN N#Cc1cccc(OCc2cccc(C(=O)N3CCC(n4ccnn4)CC3)c2)c1 ZINC000129360678 1416196747 /nfs/dbraw/zinc/19/67/47/1416196747.db2.gz ABNXPWMZHMISSP-UHFFFAOYSA-N 0 0 387.443 3.206 20 30 GGEDRN COC(=O)Cc1cccc(NCC(=O)N(CCC#N)c2cccc(Cl)c2)c1 ZINC000129437833 1416209436 /nfs/dbraw/zinc/20/94/36/1416209436.db2.gz HWGOFKPCZIQRGW-UHFFFAOYSA-N 0 0 385.851 3.414 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000129455711 1416212457 /nfs/dbraw/zinc/21/24/57/1416212457.db2.gz BWAKUEYMHSLLJE-SJORKVTESA-N 0 0 388.537 3.409 20 30 GGEDRN C=CCOc1ccc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1OC ZINC000178437715 1429077090 /nfs/dbraw/zinc/07/70/90/1429077090.db2.gz SBHDKNWJNDVHHJ-UHFFFAOYSA-N 0 0 384.451 3.357 20 30 GGEDRN Cc1ccsc1CCCC(=O)[C@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000129455094 1416212547 /nfs/dbraw/zinc/21/25/47/1416212547.db2.gz JZXZBFWBQWUMJD-HNNXBMFYSA-N 0 0 384.457 3.498 20 30 GGEDRN COc1ccccc1[C@H](NC(=O)Cc1ccc(OCC#N)cc1)c1ccccn1 ZINC000129461312 1416213168 /nfs/dbraw/zinc/21/31/68/1416213168.db2.gz UYNPAKYWMBQEQB-QHCPKHFHSA-N 0 0 387.439 3.441 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000178436859 1429077250 /nfs/dbraw/zinc/07/72/50/1429077250.db2.gz HMEGMMBLECCLQH-UHFFFAOYSA-N 0 0 391.349 3.362 20 30 GGEDRN Cc1cc(N(C)C)cc(C)c1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000129469492 1416214538 /nfs/dbraw/zinc/21/45/38/1416214538.db2.gz ILFXDBCCCYXAAO-UHFFFAOYSA-N 0 0 390.491 3.472 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@H]2c2sccc2C)cc1 ZINC000129474611 1416215627 /nfs/dbraw/zinc/21/56/27/1416215627.db2.gz SENWXQQDZHGSHP-KZNAEPCWSA-N 0 0 382.485 3.236 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)Nc2cc(OC)ccn2)nnc1-c1ccco1 ZINC000129489358 1416218084 /nfs/dbraw/zinc/21/80/84/1416218084.db2.gz SLTBKFCWBODMRD-UHFFFAOYSA-N 0 0 385.449 3.249 20 30 GGEDRN Cc1ccc(-c2ncco2)cc1NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000129498076 1416218933 /nfs/dbraw/zinc/21/89/33/1416218933.db2.gz PDLCBZCEBCLXFQ-UHFFFAOYSA-N 0 0 392.419 3.050 20 30 GGEDRN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)C1CC1 ZINC000178440659 1429077700 /nfs/dbraw/zinc/07/77/00/1429077700.db2.gz OSAJNSHMNFWIMF-DCKJRJMFSA-N 0 0 377.510 3.264 20 30 GGEDRN N#Cc1ccc(NC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)cc1Cl ZINC000129538076 1416224296 /nfs/dbraw/zinc/22/42/96/1416224296.db2.gz GHHWVGBWDIQOAM-HNNXBMFYSA-N 0 0 390.777 3.417 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)Nc2ccn(-c3ccccc3Cl)n2)c1 ZINC000129551280 1416226385 /nfs/dbraw/zinc/22/63/85/1416226385.db2.gz IJUHXSIVHCXMOE-UHFFFAOYSA-N 0 0 393.834 3.267 20 30 GGEDRN N#Cc1ccc([C@@H](O)CN2C[C@@H](CCN3CCCC3=O)c3ccccc32)cc1 ZINC000129560833 1416228652 /nfs/dbraw/zinc/22/86/52/1416228652.db2.gz DYPVEUBVHUWLNY-KNQAVFIVSA-N 0 0 375.472 3.208 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000178444614 1429078716 /nfs/dbraw/zinc/07/87/16/1429078716.db2.gz DOFXLGJPSSGAKV-GOSISDBHSA-N 0 0 383.835 3.059 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1C ZINC000129582738 1416232302 /nfs/dbraw/zinc/23/23/02/1416232302.db2.gz XEKKVJHVFPXJIV-WIYYLYMNSA-N 0 0 379.508 3.330 20 30 GGEDRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cccc(C#N)c1 ZINC000129593430 1416233921 /nfs/dbraw/zinc/23/39/21/1416233921.db2.gz DVKBUMPVGYLTSM-IERDGZPVSA-N 0 0 375.472 3.174 20 30 GGEDRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN(C)[C@H](C)CC#N)cc1 ZINC000129607117 1416236254 /nfs/dbraw/zinc/23/62/54/1416236254.db2.gz GDLWVRWZKCYAHO-QGZVFWFLSA-N 0 0 378.476 3.098 20 30 GGEDRN C=CCNc1ncc(C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)s1 ZINC000129622346 1416238576 /nfs/dbraw/zinc/23/85/76/1416238576.db2.gz JTAAFVIQWDTETQ-OAHLLOKOSA-N 0 0 384.505 3.023 20 30 GGEDRN CCCNC(=O)c1cccc(CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c1 ZINC000129644967 1416242221 /nfs/dbraw/zinc/24/22/21/1416242221.db2.gz AEDZVPDBSXKTOA-NRFANRHFSA-N 0 0 393.487 3.418 20 30 GGEDRN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN(C)[C@H](C)CC#N)c1C#N ZINC000129653293 1416243692 /nfs/dbraw/zinc/24/36/92/1416243692.db2.gz WUSVLSZLVNFPOD-CQSZACIVSA-N 0 0 381.455 3.337 20 30 GGEDRN C[C@H](NC(=O)C(C)(C)C)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129682997 1416248200 /nfs/dbraw/zinc/24/82/00/1416248200.db2.gz ZRDVKCCETZDQIA-ONGXEEELSA-N 0 0 384.263 3.192 20 30 GGEDRN C=C[C@@H](CC(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1)c1ccccc1 ZINC000129693847 1416249855 /nfs/dbraw/zinc/24/98/55/1416249855.db2.gz IIBQDAMZGRGKGA-SFHVURJKSA-N 0 0 378.472 3.340 20 30 GGEDRN C=CCn1c(-c2cccc(OC)c2)nn(CN2CCOC3(CCC3)C2)c1=S ZINC000129711636 1416252120 /nfs/dbraw/zinc/25/21/20/1416252120.db2.gz DSRAZYIUQHFFBT-UHFFFAOYSA-N 0 0 386.521 3.488 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NCc1cccc(NC(=O)CC(C)C)c1 ZINC000178452487 1429080478 /nfs/dbraw/zinc/08/04/78/1429080478.db2.gz BVSOMEZBUUOVJC-UHFFFAOYSA-N 0 0 392.459 3.106 20 30 GGEDRN CC(C)C[C@H]1CCCCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000129712960 1416252411 /nfs/dbraw/zinc/25/24/11/1416252411.db2.gz RZUFKVPBTAJEFQ-LJQANCHMSA-N 0 0 376.522 3.290 20 30 GGEDRN CC(C)C[C@@H]1CCCCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000129712742 1416252507 /nfs/dbraw/zinc/25/25/07/1416252507.db2.gz RZUFKVPBTAJEFQ-IBGZPJMESA-N 0 0 376.522 3.290 20 30 GGEDRN C=CCn1c2ccccc2n(CN(CCC)[C@@H]2CCS(=O)(=O)C2)c1=S ZINC000129720730 1416253860 /nfs/dbraw/zinc/25/38/60/1416253860.db2.gz DTHXQRFZEGZMLA-OAHLLOKOSA-N 0 0 379.551 3.215 20 30 GGEDRN Cc1noc(C2CC2)c1NC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000129720274 1416253934 /nfs/dbraw/zinc/25/39/34/1416253934.db2.gz WEUUKNYOZPQWDQ-UHFFFAOYSA-N 0 0 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380.444 3.200 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCC[C@H]1OCc1ccccc1 ZINC000130050990 1416308653 /nfs/dbraw/zinc/30/86/53/1416308653.db2.gz RURDWADYSYPMJG-RBUKOAKNSA-N 0 0 380.444 3.200 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000130050499 1416309034 /nfs/dbraw/zinc/30/90/34/1416309034.db2.gz RURDWADYSYPMJG-OALUTQOASA-N 0 0 380.444 3.200 20 30 GGEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3cccc3)cc2)cc1OC ZINC000130057404 1416309791 /nfs/dbraw/zinc/30/97/91/1416309791.db2.gz HGCLAPQDJQIOHO-SFHVURJKSA-N 0 0 389.411 3.456 20 30 GGEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-n3cccc3)c2)cc1OC ZINC000130073262 1416312441 /nfs/dbraw/zinc/31/24/41/1416312441.db2.gz WGQXWPROJVHVHI-SFHVURJKSA-N 0 0 389.411 3.456 20 30 GGEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c(C)[nH]c3ccccc32)cc1OC ZINC000130080644 1416313829 /nfs/dbraw/zinc/31/38/29/1416313829.db2.gz HKIYKCOTEGNNKK-KRWDZBQOSA-N 0 0 391.427 3.384 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(-n3ccnn3)c2)c1 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380.238 3.022 20 30 GGEDRN Cc1cc(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)ccc1N(C)C ZINC000130107164 1416319498 /nfs/dbraw/zinc/31/94/98/1416319498.db2.gz LGMXKYOGQGQGAJ-UHFFFAOYSA-N 0 0 380.448 3.321 20 30 GGEDRN N#CCN1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000130110565 1416320258 /nfs/dbraw/zinc/32/02/58/1416320258.db2.gz YSLVESZJNNBAOY-UHFFFAOYSA-N 0 0 393.274 3.249 20 30 GGEDRN N#CCN1CCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CC1 ZINC000130114043 1416320713 /nfs/dbraw/zinc/32/07/13/1416320713.db2.gz QJYNFRLOTCJVPK-UHFFFAOYSA-N 0 0 378.457 3.351 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)cc1C#N ZINC000130113034 1416320768 /nfs/dbraw/zinc/32/07/68/1416320768.db2.gz QMXWARLGCOBRLF-ZDUSSCGKSA-N 0 0 384.402 3.446 20 30 GGEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccc3c(c2)C(=O)NC3)c1 ZINC000130121493 1416322034 /nfs/dbraw/zinc/32/20/34/1416322034.db2.gz UOOTZODTWCMPEJ-INIZCTEOSA-N 0 0 376.460 3.294 20 30 GGEDRN C=CCn1c(SCC(=O)NC[C@@H](O)C(C)C)nnc1-c1ccc(Cl)cc1 ZINC000178475634 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CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1C(=O)OC ZINC000130793562 1416452903 /nfs/dbraw/zinc/45/29/03/1416452903.db2.gz DXRXUIJUTCFSAK-UHFFFAOYSA-N 0 0 390.436 3.085 20 30 GGEDRN N#CCSc1cccc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)c1 ZINC000130793726 1416453148 /nfs/dbraw/zinc/45/31/48/1416453148.db2.gz ZJQXQMMNIJSIJS-QGZVFWFLSA-N 0 0 383.448 3.367 20 30 GGEDRN CNC(=O)COc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000130801435 1416454556 /nfs/dbraw/zinc/45/45/56/1416454556.db2.gz CKMWLAPHJVIWPQ-UHFFFAOYSA-N 0 0 389.459 3.201 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130806629 1416455037 /nfs/dbraw/zinc/45/50/37/1416455037.db2.gz CSSUXOSEJFRLLK-UHFFFAOYSA-N 0 0 392.415 3.165 20 30 GGEDRN N#Cc1ccc(CSCC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)cc1 ZINC000130818229 1416458441 /nfs/dbraw/zinc/45/84/41/1416458441.db2.gz FYBOYPKLLSIMJS-GOSISDBHSA-N 0 0 397.475 3.242 20 30 GGEDRN N#Cc1ccc(CSCC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)cc1 ZINC000130818001 1416458475 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N#Cc1cnc2ccccc2c1N1CCN(Cc2nc(-c3ccco3)no2)CC1 ZINC000130833455 1416462927 /nfs/dbraw/zinc/46/29/27/1416462927.db2.gz XKGIWMGYCVDTDC-UHFFFAOYSA-N 0 0 386.415 3.072 20 30 GGEDRN CCCCc1noc(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)n1 ZINC000130834529 1416463485 /nfs/dbraw/zinc/46/34/85/1416463485.db2.gz LWYZOOBVOSLDKC-UHFFFAOYSA-N 0 0 376.464 3.154 20 30 GGEDRN N#Cc1ccc(OC2CN(C(=O)c3ccc(OCc4ccccn4)cc3)C2)cc1 ZINC000130837261 1416463710 /nfs/dbraw/zinc/46/37/10/1416463710.db2.gz PFPKZCYMWANUOE-UHFFFAOYSA-N 0 0 385.423 3.436 20 30 GGEDRN CC(C)(C#N)CCCS(=O)(=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130842226 1416465034 /nfs/dbraw/zinc/46/50/34/1416465034.db2.gz UVCAZBIIWSGUCP-UHFFFAOYSA-N 0 0 377.422 3.495 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(C)(C)C#N)CC2)c(C)c1 ZINC000130845598 1416466159 /nfs/dbraw/zinc/46/61/59/1416466159.db2.gz AJBLFVVYRGZBLR-MRXNPFEDSA-N 0 0 392.521 3.186 20 30 GGEDRN Cc1cccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1C#N ZINC000130848308 1416466917 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Cc1cc([C@H](NC(=O)Cn2cnc(C#N)n2)c2ccccc2Cl)ccc1F ZINC000178620977 1429123727 /nfs/dbraw/zinc/12/37/27/1429123727.db2.gz ZAUAOCDWBJPJLP-IBGZPJMESA-N 0 0 383.814 3.157 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)c2cc(F)c(F)cc2Br)c1 ZINC000178621163 1429123845 /nfs/dbraw/zinc/12/38/45/1429123845.db2.gz BLWQYWKJHGZRQB-UHFFFAOYSA-N 0 0 393.187 3.077 20 30 GGEDRN N#Cc1cc(F)c(C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)c(F)c1 ZINC000132298684 1416731310 /nfs/dbraw/zinc/73/13/10/1416731310.db2.gz SNNOEUOBRGBDKN-UHFFFAOYSA-N 0 0 397.425 3.144 20 30 GGEDRN COc1ccc(-n2nnc(C(=O)N[C@@H](CCC#N)c3ccccc3)c2C)cc1 ZINC000178625284 1429124196 /nfs/dbraw/zinc/12/41/96/1429124196.db2.gz AMRYEZXKWDPSIM-IBGZPJMESA-N 0 0 375.432 3.359 20 30 GGEDRN Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C(=O)N(C)[C@H](C)CC#N ZINC000132315788 1416734168 /nfs/dbraw/zinc/73/41/68/1416734168.db2.gz WEHSFNLAWXOLHL-OAHLLOKOSA-N 0 0 381.480 3.177 20 30 GGEDRN CCCC1(CNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000132321471 1416735775 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GGEDRN C[C@@H]1CN(c2ccc(NC(=O)C#Cc3ccc4c(c3)OCO4)cc2)C[C@H](C)O1 ZINC000136231000 1417303323 /nfs/dbraw/zinc/30/33/23/1417303323.db2.gz XKRSPUDFHGMODE-IYBDPMFKSA-N 0 0 378.428 3.019 20 30 GGEDRN C[C@H]1CN(c2ccc(NC(=O)C#Cc3ccc4c(c3)OCO4)cc2)C[C@H](C)O1 ZINC000136231040 1417303478 /nfs/dbraw/zinc/30/34/78/1417303478.db2.gz XKRSPUDFHGMODE-HOTGVXAUSA-N 0 0 378.428 3.019 20 30 GGEDRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136257642 1417305643 /nfs/dbraw/zinc/30/56/43/1417305643.db2.gz ZRYLRUQABHFWJU-NSHDSACASA-N 0 0 393.340 3.402 20 30 GGEDRN C#CCOc1ccc(NC(=O)C(=O)NCC2(c3ccccc3Cl)CC2)cc1 ZINC000136259179 1417305704 /nfs/dbraw/zinc/30/57/04/1417305704.db2.gz IREFUUFHTISUDS-UHFFFAOYSA-N 0 0 382.847 3.139 20 30 GGEDRN O=C(C#Cc1ccc2c(c1)OCO2)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000136269578 1417306147 /nfs/dbraw/zinc/30/61/47/1417306147.db2.gz QCRLJZHWMNHWRM-QFIPXVFZSA-N 0 0 397.858 3.392 20 30 GGEDRN O=C(C#Cc1ccc2c(c1)OCO2)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000136269622 1417306548 /nfs/dbraw/zinc/30/65/48/1417306548.db2.gz QCRLJZHWMNHWRM-JOCHJYFZSA-N 0 0 397.858 3.392 20 30 GGEDRN O=C(C#Cc1ccc2c(c1)OCO2)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000136293698 1417307743 /nfs/dbraw/zinc/30/77/43/1417307743.db2.gz NZXMDHVXFRVGBD-KRWDZBQOSA-N 0 0 379.387 3.027 20 30 GGEDRN Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)CC2)cc1 ZINC000136312843 1417308837 /nfs/dbraw/zinc/30/88/37/1417308837.db2.gz MRUZMYRMMUJAQO-UHFFFAOYSA-N 0 0 381.407 3.014 20 30 GGEDRN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136335882 1417310191 /nfs/dbraw/zinc/31/01/91/1417310191.db2.gz KTDJROJIDXWRFS-GTNSWQLSSA-N 0 0 389.814 3.182 20 30 GGEDRN N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000136505271 1417322012 /nfs/dbraw/zinc/32/20/12/1417322012.db2.gz LTLZEGZSXCHJRQ-LJQANCHMSA-N 0 0 383.492 3.015 20 30 GGEDRN Cc1c(CCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cnn1C ZINC000136563948 1417326628 /nfs/dbraw/zinc/32/66/28/1417326628.db2.gz MLZMIDLDEQVHAC-HNNXBMFYSA-N 0 0 392.431 3.323 20 30 GGEDRN Cc1cccc(NC(=O)[C@H](C#N)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000136591816 1417330752 /nfs/dbraw/zinc/33/07/52/1417330752.db2.gz PTZGNFZENLPARY-QGZVFWFLSA-N 0 0 376.372 3.275 20 30 GGEDRN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000136591780 1417330773 /nfs/dbraw/zinc/33/07/73/1417330773.db2.gz PTZGNFZENLPARY-KRWDZBQOSA-N 0 0 376.372 3.275 20 30 GGEDRN CCc1nnnn1-c1ccccc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000136630694 1417333428 /nfs/dbraw/zinc/33/34/28/1417333428.db2.gz CPCHWZAKDJLOKR-UHFFFAOYSA-N 0 0 390.447 3.284 20 30 GGEDRN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136630053 1417333552 /nfs/dbraw/zinc/33/35/52/1417333552.db2.gz DWCFSCBEKYJWKA-AWEZNQCLSA-N 0 0 383.423 3.438 20 30 GGEDRN NC(=NOCc1ccc(Cl)c([N+](=O)[O-])c1)c1cccnc1N1CCCCC1 ZINC000136641231 1417334208 /nfs/dbraw/zinc/33/42/08/1417334208.db2.gz VSDOUPPOXNQQGL-UHFFFAOYSA-N 0 0 389.843 3.471 20 30 GGEDRN COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(C)n2C)n1 ZINC000136652004 1417335119 /nfs/dbraw/zinc/33/51/19/1417335119.db2.gz MMKKGEWOKWADTP-ZDUSSCGKSA-N 0 0 394.456 3.427 20 30 GGEDRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136654411 1417336126 /nfs/dbraw/zinc/33/61/26/1417336126.db2.gz XVVJKLDXWXXYOL-UHFFFAOYSA-N 0 0 395.312 3.193 20 30 GGEDRN C=C[C@H](CC(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000136656757 1417336160 /nfs/dbraw/zinc/33/61/60/1417336160.db2.gz OGKCCCZWLACTQT-GOSISDBHSA-N 0 0 386.517 3.092 20 30 GGEDRN C=C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000136703262 1417340587 /nfs/dbraw/zinc/34/05/87/1417340587.db2.gz AVBAUWCCGVJGAI-CRAIPNDOSA-N 0 0 376.412 3.465 20 30 GGEDRN N#CCCSc1ccccc1NC(=O)C(=O)NCCc1cc2ccccc2[nH]1 ZINC000136747743 1417343224 /nfs/dbraw/zinc/34/32/24/1417343224.db2.gz REIUYEPMNQHALU-UHFFFAOYSA-N 0 0 392.484 3.471 20 30 GGEDRN CCCOc1cccc(CCNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000136766428 1417344707 /nfs/dbraw/zinc/34/47/07/1417344707.db2.gz PSFPLIBLUYVRHF-UHFFFAOYSA-N 0 0 385.851 3.298 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000136853747 1417350659 /nfs/dbraw/zinc/35/06/59/1417350659.db2.gz OJZYZNBUHVUMJG-ZIAGYGMSSA-N 0 0 386.839 3.369 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)Cc1ccc2ccccc2c1 ZINC000136857951 1417351035 /nfs/dbraw/zinc/35/10/35/1417351035.db2.gz KIJZGWAOLGOGAL-UHFFFAOYSA-N 0 0 376.416 3.308 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000136859128 1417351164 /nfs/dbraw/zinc/35/11/64/1417351164.db2.gz OUAZOPJSSATVID-UHFFFAOYSA-N 0 0 395.246 3.461 20 30 GGEDRN N#C[C@@H](C(=O)CCc1cc(Br)ccc1F)C(=O)NC1CCCC1 ZINC000136883061 1417352600 /nfs/dbraw/zinc/35/26/00/1417352600.db2.gz SFIFIZJYYQAMFA-AWEZNQCLSA-N 0 0 381.245 3.288 20 30 GGEDRN N#Cc1ccccc1N1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000136908931 1417354203 /nfs/dbraw/zinc/35/42/03/1417354203.db2.gz PHKPWDKSEZLMLB-UHFFFAOYSA-N 0 0 384.823 3.472 20 30 GGEDRN N#Cc1ccccc1N1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000136908596 1417354290 /nfs/dbraw/zinc/35/42/90/1417354290.db2.gz MXVXMUYVOIRUIO-UHFFFAOYSA-N 0 0 384.823 3.472 20 30 GGEDRN COc1cc(C#N)ccc1OC(=O)Cc1ccccc1I ZINC000136959103 1417357714 /nfs/dbraw/zinc/35/77/14/1417357714.db2.gz YHBZIFZFXRASEK-UHFFFAOYSA-N 0 0 393.180 3.320 20 30 GGEDRN CC(=O)Nc1ccc(Cl)c(C(=O)N2CCN(c3ccccc3C#N)CC2)c1 ZINC000136963072 1417357968 /nfs/dbraw/zinc/35/79/68/1417357968.db2.gz USGGEWKDCSYFEF-UHFFFAOYSA-N 0 0 382.851 3.132 20 30 GGEDRN C#CCOc1ccc(CN(C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000136970744 1417358928 /nfs/dbraw/zinc/35/89/28/1417358928.db2.gz QBEWQMOCKYKUOG-GOSISDBHSA-N 0 0 387.277 3.120 20 30 GGEDRN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)N(C)[C@H](C)CC#N)c1 ZINC000137000355 1417361473 /nfs/dbraw/zinc/36/14/73/1417361473.db2.gz RHIKSJKERKOOLD-CQSZACIVSA-N 0 0 389.452 3.309 20 30 GGEDRN COc1ccc(CN(C)Cc2nc3ccsc3c(=O)[nH]2)cc1OCCCC#N ZINC000137020289 1417363049 /nfs/dbraw/zinc/36/30/49/1417363049.db2.gz KNRBCGFJYAZMSV-UHFFFAOYSA-N 0 0 398.488 3.308 20 30 GGEDRN CC(C)(CO)CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000137089077 1417367256 /nfs/dbraw/zinc/36/72/56/1417367256.db2.gz OSYUKJHPXYKPFD-KRWDZBQOSA-N 0 0 399.878 3.069 20 30 GGEDRN COc1cc(-c2noc(CS(=O)(=O)Cc3ccccc3C#N)n2)ccc1C ZINC000137132000 1417369915 /nfs/dbraw/zinc/36/99/15/1417369915.db2.gz MOGPSQUHNJABNV-UHFFFAOYSA-N 0 0 383.429 3.040 20 30 GGEDRN C=C(C)COCCNC(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000137144615 1417370854 /nfs/dbraw/zinc/37/08/54/1417370854.db2.gz RDSABNDJXVGTCX-UHFFFAOYSA-N 0 0 385.439 3.470 20 30 GGEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCOC[C@H]2C[C@@H](C)O)cc1 ZINC000137151533 1417371282 /nfs/dbraw/zinc/37/12/82/1417371282.db2.gz FZKMIACUHGUFAM-VQIMIIECSA-N 0 0 380.444 3.271 20 30 GGEDRN COC[C@](C)(C#N)NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C ZINC000137159054 1417372064 /nfs/dbraw/zinc/37/20/64/1417372064.db2.gz ULQNIRQTZNJLID-IBGZPJMESA-N 0 0 383.477 3.399 20 30 GGEDRN N#C[C@H](C(=O)CCc1cc(Br)ccc1F)C(=O)Nc1ccccn1 ZINC000137226269 1417376292 /nfs/dbraw/zinc/37/62/92/1417376292.db2.gz VZXIWPQHFLQHIB-CYBMUJFWSA-N 0 0 390.212 3.263 20 30 GGEDRN Cc1cccc(S(=O)(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c1C#N ZINC000137370922 1417381869 /nfs/dbraw/zinc/38/18/69/1417381869.db2.gz XZJIDYHWQRGHJN-HZPDHXFCSA-N 0 0 385.489 3.281 20 30 GGEDRN O=C(C#Cc1ccc2c(c1)OCO2)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000137480666 1417387565 /nfs/dbraw/zinc/38/75/65/1417387565.db2.gz NUMYYXLINVAWCB-IBGZPJMESA-N 0 0 381.403 3.114 20 30 GGEDRN COCc1ccc([C@H]2CCCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)o1 ZINC000137501783 1417388410 /nfs/dbraw/zinc/38/84/10/1417388410.db2.gz XHMXIKMKMHPPTL-GOSISDBHSA-N 0 0 391.431 3.043 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)NCc1cccnc1OCC(F)F ZINC000137523456 1417389784 /nfs/dbraw/zinc/38/97/84/1417389784.db2.gz JXDORBXKYOONTP-UHFFFAOYSA-N 0 0 379.338 3.198 20 30 GGEDRN Cc1cccc(S(=O)(=O)N2C[C@H](n3cccn3)Cc3ccccc32)c1C#N ZINC000137577546 1417390842 /nfs/dbraw/zinc/39/08/42/1417390842.db2.gz LJUFVQNGYBJFJW-QGZVFWFLSA-N 0 0 378.457 3.056 20 30 GGEDRN Cc1cccc(S(=O)(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)c1C#N ZINC000137577644 1417390962 /nfs/dbraw/zinc/39/09/62/1417390962.db2.gz LJUFVQNGYBJFJW-KRWDZBQOSA-N 0 0 378.457 3.056 20 30 GGEDRN CC(C)Cc1nnc(NC(=O)CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000137774300 1417395089 /nfs/dbraw/zinc/39/50/89/1417395089.db2.gz GPMKVXXSKUCPOZ-DLBZAZTESA-N 0 0 383.521 3.447 20 30 GGEDRN CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1 ZINC000137818532 1417396333 /nfs/dbraw/zinc/39/63/33/1417396333.db2.gz IFJZRRCJXMOBBH-UHFFFAOYSA-N 0 0 396.493 3.308 20 30 GGEDRN C=C(Br)CNC(=O)NCc1cccc(COCC(F)(F)F)c1 ZINC000138397490 1417412840 /nfs/dbraw/zinc/41/28/40/1417412840.db2.gz SCYRRRCOBNGULT-UHFFFAOYSA-N 0 0 381.192 3.473 20 30 GGEDRN C=CCn1c(-c2cccs2)nn(CN2CC[C@H](OCCOCC)C2)c1=S ZINC000138453956 1417416246 /nfs/dbraw/zinc/41/62/46/1417416246.db2.gz PGHIXHDCKWDFKQ-HNNXBMFYSA-N 0 0 394.566 3.413 20 30 GGEDRN C=CCn1cnnc1SCc1cc(=O)oc2cc(NC(=O)OCC)ccc12 ZINC000138462549 1417417007 /nfs/dbraw/zinc/41/70/07/1417417007.db2.gz GNYHXYVOZXHKCB-UHFFFAOYSA-N 0 0 386.433 3.431 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000138519260 1417423064 /nfs/dbraw/zinc/42/30/64/1417423064.db2.gz LZKLUUSGTVFJSK-GOSISDBHSA-N 0 0 384.823 3.271 20 30 GGEDRN COc1cccc(NC(=O)[C@H](C#N)C(=O)CCCOc2cccc(C(C)=O)c2)c1 ZINC000138659044 1417432521 /nfs/dbraw/zinc/43/25/21/1417432521.db2.gz YWGAGFDUBOMSEO-HXUWFJFHSA-N 0 0 394.427 3.404 20 30 GGEDRN COc1cc(-c2noc(CON=C(N)COc3ccc(F)cc3)n2)ccc1C ZINC000138702600 1417434002 /nfs/dbraw/zinc/43/40/02/1417434002.db2.gz HPPAXSQMXWBEKE-UHFFFAOYSA-N 0 0 386.383 3.061 20 30 GGEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)c2c(C)nn(C)c2C)cc1Cl ZINC000138740209 1417436761 /nfs/dbraw/zinc/43/67/61/1417436761.db2.gz IOHIBSGGPDXGMX-YGRLFVJLSA-N 0 0 388.855 3.150 20 30 GGEDRN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000139125876 1417450077 /nfs/dbraw/zinc/45/00/77/1417450077.db2.gz GAWZZNYIGNOQMC-KDURUIRLSA-N 0 0 392.480 3.262 20 30 GGEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN(Cc1cccs1)C1CC1 ZINC000139223653 1417452975 /nfs/dbraw/zinc/45/29/75/1417452975.db2.gz HZSXOBJPEQVTBZ-UHFFFAOYSA-N 0 0 377.473 3.409 20 30 GGEDRN N#CCn1cc(NC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)cn1 ZINC000139300345 1417455519 /nfs/dbraw/zinc/45/55/19/1417455519.db2.gz LJRXAIAOWTUFMJ-AHKGRUIUSA-N 0 0 397.866 3.093 20 30 GGEDRN Cc1ccc(C(=O)Nc2cnn(CC#N)c2)cc1NC(=O)c1ccccc1F ZINC000139401124 1417458320 /nfs/dbraw/zinc/45/83/20/1417458320.db2.gz DNIIHLXERLZWPR-UHFFFAOYSA-N 0 0 377.379 3.359 20 30 GGEDRN C=CCc1cc([C@@H]2NC(=O)N(C3CC3)C(C)=C2C(=O)OCC)cc(OC)c1O ZINC000139428322 1417459577 /nfs/dbraw/zinc/45/95/77/1417459577.db2.gz JPFYEQXKTOLFCG-SFHVURJKSA-N 0 0 386.448 3.195 20 30 GGEDRN CCN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nc(C)cc(C)c1C#N ZINC000139611852 1417465698 /nfs/dbraw/zinc/46/56/98/1417465698.db2.gz AAWXGBPZKPMAAC-INIZCTEOSA-N 0 0 397.500 3.351 20 30 GGEDRN CN(C)C(=O)COc1cccc(C(=O)/C=C/c2cnn(Cc3ccccc3)c2)c1 ZINC000139671029 1417467746 /nfs/dbraw/zinc/46/77/46/1417467746.db2.gz JJNFSTNCGKSVKU-VAWYXSNFSA-N 0 0 389.455 3.295 20 30 GGEDRN C[C@H](Sc1ccc(C#N)cc1Cl)C(=O)N1CCN(c2ccccn2)CC1 ZINC000178831788 1429186477 /nfs/dbraw/zinc/18/64/77/1429186477.db2.gz TZQGRGABHXOCEM-AWEZNQCLSA-N 0 0 386.908 3.436 20 30 GGEDRN C[C@H](Nc1cccc(C(N)=O)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000139710454 1417470207 /nfs/dbraw/zinc/47/02/07/1417470207.db2.gz KLOUNIHPIBMAMW-LBPRGKRZSA-N 0 0 382.489 3.427 20 30 GGEDRN C=CCn1c(Cc2csc(NC(=O)c3cnc(CC)s3)n2)n[nH]c1=S ZINC000139745974 1417472897 /nfs/dbraw/zinc/47/28/97/1417472897.db2.gz VCBSUYHQLREKKQ-UHFFFAOYSA-N 0 0 392.535 3.445 20 30 GGEDRN Cc1cccc2cc(C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)oc21 ZINC000140116447 1417489098 /nfs/dbraw/zinc/48/90/98/1417489098.db2.gz AGNVSYXZUUHXBO-UHFFFAOYSA-N 0 0 376.416 3.441 20 30 GGEDRN COc1ccc(C(=O)CCC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 ZINC000140125552 1417489218 /nfs/dbraw/zinc/48/92/18/1417489218.db2.gz RIQTWUVCCAZPIL-UHFFFAOYSA-N 0 0 395.434 3.018 20 30 GGEDRN COc1ccc(CCCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000140115837 1417489323 /nfs/dbraw/zinc/48/93/23/1417489323.db2.gz HSRLNOCZSBFWCU-UHFFFAOYSA-N 0 0 394.475 3.104 20 30 GGEDRN Cc1nc(C(C)(C)C)sc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000140116286 1417489329 /nfs/dbraw/zinc/48/93/29/1417489329.db2.gz QCGOGOJFMRNJJN-UHFFFAOYSA-N 0 0 399.520 3.449 20 30 GGEDRN CS(=O)(=O)CCc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000178833377 1429187896 /nfs/dbraw/zinc/18/78/96/1429187896.db2.gz SPPYSHFJUOSUQZ-UHFFFAOYSA-N 0 0 397.500 3.342 20 30 GGEDRN Cc1cccc([C@@H]2CCCN2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)n1 ZINC000140227003 1417493637 /nfs/dbraw/zinc/49/36/37/1417493637.db2.gz YXELILWAEPSSSK-FQEVSTJZSA-N 0 0 386.459 3.223 20 30 GGEDRN CN(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000178837209 1429188498 /nfs/dbraw/zinc/18/84/98/1429188498.db2.gz GIZVPSQRLPAKLX-UHFFFAOYSA-N 0 0 379.313 3.313 20 30 GGEDRN N#CCCn1cc(C(=O)CN2CCC([C@H](O)C(F)(F)F)CC2)c2ccccc21 ZINC000140892963 1417519657 /nfs/dbraw/zinc/51/96/57/1417519657.db2.gz NHVWHRPHTMVEIJ-IBGZPJMESA-N 0 0 393.409 3.373 20 30 GGEDRN N#CCCn1cc(C(=O)CN2CCC([C@@H](O)C(F)(F)F)CC2)c2ccccc21 ZINC000140893154 1417520251 /nfs/dbraw/zinc/52/02/51/1417520251.db2.gz NHVWHRPHTMVEIJ-LJQANCHMSA-N 0 0 393.409 3.373 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000141038565 1417525422 /nfs/dbraw/zinc/52/54/22/1417525422.db2.gz PAZJZTQOCXCMND-BBRMVZONSA-N 0 0 390.471 3.286 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H](OCC)c2ccccc2)cc1 ZINC000141713097 1417552287 /nfs/dbraw/zinc/55/22/87/1417552287.db2.gz XPDRSRKTOYBSEH-LJQANCHMSA-N 0 0 388.489 3.209 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000141997318 1417569229 /nfs/dbraw/zinc/56/92/29/1417569229.db2.gz ZBRCEAJLBLWYFW-UHFFFAOYSA-N 0 0 394.349 3.405 20 30 GGEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000142022470 1417571131 /nfs/dbraw/zinc/57/11/31/1417571131.db2.gz YDIUWVQQWBXREE-GJZGRUSLSA-N 0 0 379.416 3.160 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)NCCc2cccc3cccnc32)c1 ZINC000142074217 1417572236 /nfs/dbraw/zinc/57/22/36/1417572236.db2.gz CYIRFGKWQIUGQR-UHFFFAOYSA-N 0 0 375.428 3.097 20 30 GGEDRN C=CCc1cc(OC)cc(CN2CCN(C(=O)c3cccc(OC)c3)CC2)c1O ZINC000178850825 1429195269 /nfs/dbraw/zinc/19/52/69/1429195269.db2.gz SKGOLWZKVKLIIG-UHFFFAOYSA-N 0 0 396.487 3.096 20 30 GGEDRN C=CCNC(=O)c1ccccc1NC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000142715529 1417596352 /nfs/dbraw/zinc/59/63/52/1417596352.db2.gz ATSAWMXJZPUTRC-MRXNPFEDSA-N 0 0 377.444 3.132 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCc2ccccc21 ZINC000142988312 1417606242 /nfs/dbraw/zinc/60/62/42/1417606242.db2.gz PWYIQECDECTTAS-QGZVFWFLSA-N 0 0 377.444 3.132 20 30 GGEDRN COc1ccc(C(NC(=O)CN(C)C[C@H](C)C#N)c2ccc(OC)cc2)cc1 ZINC000143203035 1417618858 /nfs/dbraw/zinc/61/88/58/1417618858.db2.gz AWRKKXGRHDKZJR-MRXNPFEDSA-N 0 0 381.476 3.001 20 30 GGEDRN COc1ccc(C(NC(=O)CN(C)C[C@@H](C)C#N)c2ccc(OC)cc2)cc1 ZINC000143203224 1417620118 /nfs/dbraw/zinc/62/01/18/1417620118.db2.gz AWRKKXGRHDKZJR-INIZCTEOSA-N 0 0 381.476 3.001 20 30 GGEDRN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN(C)C[C@H](C)C#N)cc1 ZINC000143280835 1417624888 /nfs/dbraw/zinc/62/48/88/1417624888.db2.gz KVVTXPJBXGQAIG-VGSWGCGISA-N 0 0 390.487 3.464 20 30 GGEDRN COc1cccc(-c2nc(C)c(C(=O)NCc3ccc(OCC#N)cc3)[nH]2)c1 ZINC000178853938 1429197285 /nfs/dbraw/zinc/19/72/85/1429197285.db2.gz CZTPAOQWQFFPCB-UHFFFAOYSA-N 0 0 376.416 3.226 20 30 GGEDRN CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(/C=N/OC)cc2)c1C ZINC000143396639 1417630981 /nfs/dbraw/zinc/63/09/81/1417630981.db2.gz ITBGCJRWKNWCRT-DEDYPNTBSA-N 0 0 389.477 3.379 20 30 GGEDRN CN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000143415390 1417632209 /nfs/dbraw/zinc/63/22/09/1417632209.db2.gz SFRHAXKJQUXANS-UHFFFAOYSA-N 0 0 383.473 3.009 20 30 GGEDRN C[C@H](NC(=O)OCc1ccccc1)C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000143449057 1417633373 /nfs/dbraw/zinc/63/33/73/1417633373.db2.gz ZQBQLVDOYARIEV-YJBOKZPZSA-N 0 0 384.407 3.366 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000143440742 1417633606 /nfs/dbraw/zinc/63/36/06/1417633606.db2.gz NHDWJSNTZVCSSX-UHFFFAOYSA-N 0 0 396.466 3.038 20 30 GGEDRN C[C@H](NC(=O)OCc1ccccc1)C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000143449475 1417634082 /nfs/dbraw/zinc/63/40/82/1417634082.db2.gz ZQBQLVDOYARIEV-MAUKXSAKSA-N 0 0 384.407 3.366 20 30 GGEDRN COc1ccccc1-n1c(C)nnc1SCC(=O)N(C)c1cccc(C#N)c1 ZINC000143479935 1417635740 /nfs/dbraw/zinc/63/57/40/1417635740.db2.gz ISYDACKSDGITGW-UHFFFAOYSA-N 0 0 393.472 3.211 20 30 GGEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cnc3ccccc32)nc1 ZINC000143671701 1417645217 /nfs/dbraw/zinc/64/52/17/1417645217.db2.gz IPANVAHYQRRYOC-INIZCTEOSA-N 0 0 397.438 3.376 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(OC)cc1 ZINC000144002580 1417654515 /nfs/dbraw/zinc/65/45/15/1417654515.db2.gz YNSHBQOGCJBIDP-LJQANCHMSA-N 0 0 393.443 3.268 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000144325805 1417660240 /nfs/dbraw/zinc/66/02/40/1417660240.db2.gz QTQMCTRYYMEOKI-UHFFFAOYSA-N 0 0 393.443 3.007 20 30 GGEDRN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000144709488 1417669543 /nfs/dbraw/zinc/66/95/43/1417669543.db2.gz ICXIHXHGSDKNRV-GDBMZVCRSA-N 0 0 390.915 3.167 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000145352297 1417686796 /nfs/dbraw/zinc/68/67/96/1417686796.db2.gz WBCVYMGQGXIELU-GCJKJVERSA-N 0 0 393.487 3.080 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000145351716 1417687104 /nfs/dbraw/zinc/68/71/04/1417687104.db2.gz WBCVYMGQGXIELU-PGRDOPGGSA-N 0 0 393.487 3.080 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000145468527 1417689164 /nfs/dbraw/zinc/68/91/64/1417689164.db2.gz LXZMXOHJGYCWTK-AVRDEDQJSA-N 0 0 380.444 3.230 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000145604351 1417693273 /nfs/dbraw/zinc/69/32/73/1417693273.db2.gz ALJAJKGYUYLRBQ-SFHVURJKSA-N 0 0 395.434 3.268 20 30 GGEDRN CCCS(=O)(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000145600447 1417693296 /nfs/dbraw/zinc/69/32/96/1417693296.db2.gz FYPXMNKFABNHFH-CQSZACIVSA-N 0 0 387.461 3.116 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@H]2CC2CCCCC2)cc1 ZINC000145864975 1417703165 /nfs/dbraw/zinc/70/31/65/1417703165.db2.gz GCBBETCQZJQNCH-FQEVSTJZSA-N 0 0 388.533 3.434 20 30 GGEDRN C#CCCCNC(=O)C(=O)Nc1ccnn1[C@@H](C)c1cc(Cl)ccc1Cl ZINC000178868634 1429202985 /nfs/dbraw/zinc/20/29/85/1429202985.db2.gz YZMLJIPPQQGCOB-LBPRGKRZSA-N 0 0 393.274 3.267 20 30 GGEDRN N#CC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)Cc3ccccc3-4)C2)CC1 ZINC000146813601 1417732140 /nfs/dbraw/zinc/73/21/40/1417732140.db2.gz CYPANUXKKSYTQM-LJQANCHMSA-N 0 0 385.467 3.373 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1cccc(OC(F)(F)F)c1 ZINC000178872038 1429205094 /nfs/dbraw/zinc/20/50/94/1429205094.db2.gz ZTVKATFUDFSGKN-SNVBAGLBSA-N 0 0 395.312 3.412 20 30 GGEDRN N#CC1CCN(C(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)CC1 ZINC000147066062 1417737713 /nfs/dbraw/zinc/73/77/13/1417737713.db2.gz SOGWDQXDAFLASN-UHFFFAOYSA-N 0 0 375.472 3.454 20 30 GGEDRN CCCCN1C(=O)C[C@H](C(=O)N2CCC(C#N)CC2)[C@H]1c1ccc(OC)cc1 ZINC000147078522 1417738635 /nfs/dbraw/zinc/73/86/35/1417738635.db2.gz KLXAAZQATRMKKT-PZJWPPBQSA-N 0 0 383.492 3.147 20 30 GGEDRN CCN(C(C)=O)c1nc(/C=C/C(=O)c2nnn(-c3ccccc3)c2C)cs1 ZINC000147680257 1417750980 /nfs/dbraw/zinc/75/09/80/1417750980.db2.gz MLDPDNMZPACAOK-ZHACJKMWSA-N 0 0 381.461 3.301 20 30 GGEDRN COc1cc(/C=C/C(=O)c2nnn(-c3ccccc3)c2C)c([N+](=O)[O-])cc1OC ZINC000147683194 1417751932 /nfs/dbraw/zinc/75/19/32/1417751932.db2.gz JWNKPZFVPGIEQM-MDZDMXLPSA-N 0 0 394.387 3.397 20 30 GGEDRN Cc1c(C(=O)/C=C/c2ccc(-n3cncn3)c(F)c2)nnn1-c1ccc(F)cc1 ZINC000147696972 1417752444 /nfs/dbraw/zinc/75/24/44/1417752444.db2.gz KASHAYJGDSDXCE-YCRREMRBSA-N 0 0 392.369 3.331 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(C)C)cc1 ZINC000148183659 1417761174 /nfs/dbraw/zinc/76/11/74/1417761174.db2.gz AJELZSHCWCWEPX-LJQANCHMSA-N 0 0 383.492 3.086 20 30 GGEDRN COc1ccc(CNC(=O)CNc2cc(C#N)ccc2OC(C)C)cc1OC ZINC000149397952 1417775711 /nfs/dbraw/zinc/77/57/11/1417775711.db2.gz NHRKRPYFFPQWIZ-UHFFFAOYSA-N 0 0 383.448 3.091 20 30 GGEDRN CN(Cc1cscn1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000149510259 1417777145 /nfs/dbraw/zinc/77/71/45/1417777145.db2.gz YJMHGNODIQSSFZ-UHFFFAOYSA-N 0 0 397.460 3.138 20 30 GGEDRN COCCn1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(OC)c2)c2ccccc21 ZINC000149735392 1417779343 /nfs/dbraw/zinc/77/93/43/1417779343.db2.gz DYZREQQCNCSMCM-SFHVURJKSA-N 0 0 391.427 3.257 20 30 GGEDRN COC(=O)N[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F ZINC000149727716 1417779432 /nfs/dbraw/zinc/77/94/32/1417779432.db2.gz SSZYWPLJVKWHFE-YPMHNXCESA-N 0 0 378.379 3.378 20 30 GGEDRN COC(=O)N[C@@H](CC(C)C)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F ZINC000149728071 1417779594 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C=CCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1C ZINC000154205343 1422854891 /nfs/dbraw/zinc/85/48/91/1422854891.db2.gz WJJFFLQUVPJEJV-UHFFFAOYSA-N 0 0 388.489 3.453 20 30 GGEDRN C=CCC[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 ZINC000154216655 1422856945 /nfs/dbraw/zinc/85/69/45/1422856945.db2.gz WNTHZNUNQILKHK-INIZCTEOSA-N 0 0 393.399 3.015 20 30 GGEDRN COc1ccc([C@@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)cc1 ZINC000154227522 1422858531 /nfs/dbraw/zinc/85/85/31/1422858531.db2.gz XZMDINWVWOMYQQ-OAHLLOKOSA-N 0 0 383.835 3.175 20 30 GGEDRN COc1ccc(C(N)=NOCc2ccn(-c3c(F)cccc3F)n2)cc1OC ZINC000154226843 1422858556 /nfs/dbraw/zinc/85/85/56/1422858556.db2.gz SJRMJMTWXLRFMK-UHFFFAOYSA-N 0 0 388.374 3.005 20 30 GGEDRN C=CCC[C@@H](NC(=O)CCc1ccc(S(=O)(=O)NC)cc1)c1ccccc1 ZINC000154229984 1422859132 /nfs/dbraw/zinc/85/91/32/1422859132.db2.gz CAVSJTNBGKACCQ-HXUWFJFHSA-N 0 0 386.517 3.351 20 30 GGEDRN CCNC(=O)N1CCc2ccc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)cc21 ZINC000154233848 1422859415 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COc1ccc(Cl)cc1CNC(=O)CNc1ccc(F)cc1OCC#N ZINC000154405311 1422884745 /nfs/dbraw/zinc/88/47/45/1422884745.db2.gz SKAGAVQFBSXUKN-UHFFFAOYSA-N 0 0 377.803 3.118 20 30 GGEDRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)O[C@@H](C#N)C(C)(C)C ZINC000154405643 1422884840 /nfs/dbraw/zinc/88/48/40/1422884840.db2.gz YOTOEFCNUQJNDZ-LBPRGKRZSA-N 0 0 383.374 3.174 20 30 GGEDRN CC(C)(C)[C@@H](C#N)OC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000154408354 1422885030 /nfs/dbraw/zinc/88/50/30/1422885030.db2.gz YEIVYTQYXOQSMS-CYBMUJFWSA-N 0 0 377.491 3.410 20 30 GGEDRN C[C@H](NC(=O)CNC(=O)c1ccccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000154409259 1422885347 /nfs/dbraw/zinc/88/53/47/1422885347.db2.gz GGXGNBMAHHJSOV-LBPRGKRZSA-N 0 0 375.350 3.184 20 30 GGEDRN Cc1cccc(C)c1NC(=O)CN(C)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000154409110 1422885399 /nfs/dbraw/zinc/88/53/99/1422885399.db2.gz KWULXOLUTCIHQJ-UHFFFAOYSA-N 0 0 379.460 3.430 20 30 GGEDRN CCN(CCS(C)(=O)=O)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000154409478 1422885434 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1422897997 /nfs/dbraw/zinc/89/79/97/1422897997.db2.gz IPCYXHFFYQFFAD-QGZVFWFLSA-N 0 0 378.494 3.346 20 30 GGEDRN CC[C@H](C)NC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1cccc([O-])c1 ZINC000154528873 1422904855 /nfs/dbraw/zinc/90/48/55/1422904855.db2.gz QXIUYHGQWKHPII-ZDUSSCGKSA-O 0 0 388.469 3.223 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1c[nH]nc1-c1ccccc1F ZINC000154533712 1422908283 /nfs/dbraw/zinc/90/82/83/1422908283.db2.gz KKHNRRRQUOVKTF-UHFFFAOYSA-N 0 0 378.407 3.376 20 30 GGEDRN C=CCCOCCNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1 ZINC000154537929 1422910620 /nfs/dbraw/zinc/91/06/20/1422910620.db2.gz HFRWULHETXDTMI-UHFFFAOYSA-N 0 0 398.507 3.126 20 30 GGEDRN CCCC(=O)Nc1cccc(CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)c1 ZINC000154538667 1422913003 /nfs/dbraw/zinc/91/30/03/1422913003.db2.gz ZEVFZTVLXCMMLH-UHFFFAOYSA-N 0 0 398.850 3.205 20 30 GGEDRN C=CCCOCCNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C ZINC000154538395 1422913059 /nfs/dbraw/zinc/91/30/59/1422913059.db2.gz CRTSWPLPSOLEBL-UHFFFAOYSA-N 0 0 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GGEDRN COc1ccc(CNC(=O)[C@H](C#N)C(=O)CCn2ccc3ccccc32)cc1 ZINC000155054470 1423137365 /nfs/dbraw/zinc/13/73/65/1423137365.db2.gz YHQJCSGFNHLLOS-LJQANCHMSA-N 0 0 375.428 3.065 20 30 GGEDRN N#Cc1cc(F)c(C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)c(F)c1 ZINC000155067025 1423143364 /nfs/dbraw/zinc/14/33/64/1423143364.db2.gz XHMKSOHKUGQDKE-CQSZACIVSA-N 0 0 383.398 3.119 20 30 GGEDRN COCCc1ccc(OS(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 ZINC000155069424 1423144620 /nfs/dbraw/zinc/14/46/20/1423144620.db2.gz GPWAYXFPSTXTKG-UHFFFAOYSA-N 0 0 396.262 3.277 20 30 GGEDRN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H]2CC[C@H](C#N)C2)c1 ZINC000179868214 1429617285 /nfs/dbraw/zinc/61/72/85/1429617285.db2.gz HUXOBLDKKVAQBO-RYUDHWBXSA-N 0 0 384.885 3.266 20 30 GGEDRN CCCCCNC(=O)[C@@H](C#N)C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000155081936 1423151891 /nfs/dbraw/zinc/15/18/91/1423151891.db2.gz XKGMLENYFGYFNA-ZDUSSCGKSA-N 0 0 390.281 3.488 20 30 GGEDRN COc1ccc(C(C)(C)CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)cc1 ZINC000155083076 1423152799 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C=CCCOCCNC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000155107798 1423167840 /nfs/dbraw/zinc/16/78/40/1423167840.db2.gz KACQKISBERVQIJ-UHFFFAOYSA-N 0 0 380.488 3.401 20 30 GGEDRN Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)N[C@H](C#N)C(C)(C)C ZINC000155107312 1423167936 /nfs/dbraw/zinc/16/79/36/1423167936.db2.gz UHWQXADTSJMMTC-GOSISDBHSA-N 0 0 375.428 3.464 20 30 GGEDRN COc1ccc([C@H]2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3Cl)C2)cc1 ZINC000155122651 1423182463 /nfs/dbraw/zinc/18/24/63/1423182463.db2.gz LCJCWYQIJAQHOG-HNNXBMFYSA-N 0 0 383.835 3.175 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)C[C@@H]1c2ccccc2CCN1C(C)=O ZINC000155126774 1423182990 /nfs/dbraw/zinc/18/29/90/1423182990.db2.gz FUZYHEWQPCORGW-HXUWFJFHSA-N 0 0 380.419 3.312 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)C[C@H]1c2ccccc2CCN1C(C)=O ZINC000155126682 1423183740 /nfs/dbraw/zinc/18/37/40/1423183740.db2.gz FUZYHEWQPCORGW-FQEVSTJZSA-N 0 0 380.419 3.312 20 30 GGEDRN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(C#N)c(Cl)c3)C2)nc1 ZINC000155127727 1423184680 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N#Cc1ccc(Cl)c(NC(=O)C(=O)NCc2cccc(OCC(F)F)c2)c1 ZINC000155163043 1423204829 /nfs/dbraw/zinc/20/48/29/1423204829.db2.gz FBNKQDHVWBOANO-UHFFFAOYSA-N 0 0 393.777 3.110 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)Cc1csc(NC(=O)C(C)C)n1 ZINC000155165773 1423205900 /nfs/dbraw/zinc/20/59/00/1423205900.db2.gz HLXQHDPWNCLDMR-UHFFFAOYSA-N 0 0 375.425 3.070 20 30 GGEDRN COc1cc(C#N)ccc1CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O ZINC000155174953 1423213018 /nfs/dbraw/zinc/21/30/18/1423213018.db2.gz OFLZZHZTMWJHJT-LJQANCHMSA-N 0 0 387.798 3.327 20 30 GGEDRN C#CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2C)cc1 ZINC000155179046 1423216408 /nfs/dbraw/zinc/21/64/08/1423216408.db2.gz FNIXVGDFDLDJAU-FQEVSTJZSA-N 0 0 394.496 3.469 20 30 GGEDRN CCOC(=O)CN([C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(CC#N)cc1 ZINC000155183770 1423221747 /nfs/dbraw/zinc/22/17/47/1423221747.db2.gz BXWKHKQWZRLNGJ-INIZCTEOSA-N 0 0 386.473 3.068 20 30 GGEDRN CCOC(=O)CN([C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000155187178 1423226941 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C=CCCOCCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000155266237 1423286697 /nfs/dbraw/zinc/28/66/97/1423286697.db2.gz MHPWCTAYFGOGEE-UHFFFAOYSA-N 0 0 388.777 3.262 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000155268751 1423288045 /nfs/dbraw/zinc/28/80/45/1423288045.db2.gz UAJFHBDLIXPHFM-UHFFFAOYSA-N 0 0 380.335 3.184 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)CCc1nc(-c2ccc(OC)cc2)no1 ZINC000155272817 1423292178 /nfs/dbraw/zinc/29/21/78/1423292178.db2.gz PTRRRCKEUIRFFG-UHFFFAOYSA-N 0 0 395.390 3.468 20 30 GGEDRN CCCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000155278080 1423295079 /nfs/dbraw/zinc/29/50/79/1423295079.db2.gz VNDGMVFWCJDFIF-RBUKOAKNSA-N 0 0 395.507 3.382 20 30 GGEDRN COCCOc1ccc(CN2CCN([C@H](C#N)c3ccccc3)CC2)cc1OC ZINC000155280252 1423295845 /nfs/dbraw/zinc/29/58/45/1423295845.db2.gz PMXXMTYQJWKFGR-OAQYLSRUSA-N 0 0 395.503 3.103 20 30 GGEDRN COc1cc(OC)c(OC)cc1CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000155284335 1423298863 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20 30 GGEDRN Cn1cc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(-c2cccs2)n1 ZINC000155313895 1423313033 /nfs/dbraw/zinc/31/30/33/1423313033.db2.gz FYKMMGJLLBGFAE-UHFFFAOYSA-N 0 0 395.463 3.122 20 30 GGEDRN Cc1nc(C#N)c(C#N)n1CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000155312271 1423313078 /nfs/dbraw/zinc/31/30/78/1423313078.db2.gz SBRLMUQHUJQWCU-LJQANCHMSA-N 0 0 379.420 3.041 20 30 GGEDRN CCN(C(=O)c1cccc(C(=O)N2CCCC2)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000155320173 1423315034 /nfs/dbraw/zinc/31/50/34/1423315034.db2.gz HVHCQLIKVQFKLB-MRXNPFEDSA-N 0 0 376.460 3.413 20 30 GGEDRN CCN(C(=O)c1cccc(C(=O)N2CCCC2)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000155320090 1423315044 /nfs/dbraw/zinc/31/50/44/1423315044.db2.gz HVHCQLIKVQFKLB-INIZCTEOSA-N 0 0 376.460 3.413 20 30 GGEDRN N#Cc1ccc([C@@H](C(N)=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000155328228 1423318819 /nfs/dbraw/zinc/31/88/19/1423318819.db2.gz TZQMFCAXLAHZHX-LPHOPBHVSA-N 0 0 380.517 3.300 20 30 GGEDRN COCCOc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccn1 ZINC000179902095 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391.836 3.473 20 30 GGEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)c1ccccc1 ZINC000155390425 1423344906 /nfs/dbraw/zinc/34/49/06/1423344906.db2.gz XPRRIKXPOIWJFB-CQSZACIVSA-N 0 0 380.370 3.208 20 30 GGEDRN COC(=O)Nc1cc(C(=O)Nc2ccn(CCC#N)n2)cc(C(F)(F)F)c1 ZINC000155392906 1423345705 /nfs/dbraw/zinc/34/57/05/1423345705.db2.gz IQJZIIHISPDZPH-UHFFFAOYSA-N 0 0 381.314 3.246 20 30 GGEDRN C[C@@H](CC(=O)Nc1ccn(CCC#N)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000155394408 1423346519 /nfs/dbraw/zinc/34/65/19/1423346519.db2.gz GNZDWSNQCHFITG-JKSUJKDBSA-N 0 0 389.500 3.409 20 30 GGEDRN CN(Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1cc(C#N)ccc1F ZINC000155400397 1423349068 /nfs/dbraw/zinc/34/90/68/1423349068.db2.gz NHJWGMJJIQCROV-UHFFFAOYSA-N 0 0 378.407 3.491 20 30 GGEDRN COc1cc(/C=C/C(=O)NCC2([C@@H](O)c3ccccc3)CC2)ccc1OCC#N ZINC000155405322 1423351434 /nfs/dbraw/zinc/35/14/34/1423351434.db2.gz MXZKYJNXNQFCFU-RCHCNPRSSA-N 0 0 392.455 3.241 20 30 GGEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000155410758 1423352882 /nfs/dbraw/zinc/35/28/82/1423352882.db2.gz KPEUGTVMNSXJTG-MRXNPFEDSA-N 0 0 385.445 3.252 20 30 GGEDRN CN(CCCc1[nH]nc(N)c1C#N)c1cncc(SCc2ccccc2)n1 ZINC000155427768 1423358721 /nfs/dbraw/zinc/35/87/21/1423358721.db2.gz PKFQUVXECMCIGU-UHFFFAOYSA-N 0 0 379.493 3.015 20 30 GGEDRN Cc1coc(-c2cc(NC(=O)C(=O)N(C)Cc3cccc(C#N)c3)ccc2C)n1 ZINC000155429561 1423359447 /nfs/dbraw/zinc/35/94/47/1423359447.db2.gz CRRHDIJHYLBNLF-UHFFFAOYSA-N 0 0 388.427 3.427 20 30 GGEDRN C[C@](C#N)(NC(=O)CN[C@H](c1ccccc1OC(F)F)C(F)(F)F)C1CC1 ZINC000179908732 1429635437 /nfs/dbraw/zinc/63/54/37/1429635437.db2.gz CYPKVOQPRQVSHL-GDBMZVCRSA-N 0 0 391.340 3.289 20 30 GGEDRN CC[C@@H](CSc1ccccc1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000179908859 1429635440 /nfs/dbraw/zinc/63/54/40/1429635440.db2.gz DDPPPTRKESHGEC-HNNXBMFYSA-N 0 0 399.520 3.135 20 30 GGEDRN CC(=O)c1cccc(NC(=O)[C@H](C#N)c2nc(=O)c3c(C)c(C)sc3[nH]2)c1 ZINC000155446359 1423367208 /nfs/dbraw/zinc/36/72/08/1423367208.db2.gz UAKARESIYLPTTA-CQSZACIVSA-N 0 0 380.429 3.050 20 30 GGEDRN CC(C)(C)CNC(=O)C(C)(C)NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000155452032 1423370099 /nfs/dbraw/zinc/37/00/99/1423370099.db2.gz DBXUCQYEOLPUBH-UHFFFAOYSA-N 0 0 392.931 3.117 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)CNC(C)(C)C(=O)NCC(C)(C)C)c1C ZINC000155451680 1423370358 /nfs/dbraw/zinc/37/03/58/1423370358.db2.gz LXQNYMWMEUXPBX-UHFFFAOYSA-N 0 0 386.540 3.081 20 30 GGEDRN CC[C@H](C)Oc1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)ccn1 ZINC000179910768 1429636190 /nfs/dbraw/zinc/63/61/90/1429636190.db2.gz OYQUWPLTUSRPTB-KRWDZBQOSA-N 0 0 378.476 3.483 20 30 GGEDRN Cc1c(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cnn1C1CCCC1 ZINC000155465483 1423376157 /nfs/dbraw/zinc/37/61/57/1423376157.db2.gz YUUAFWYHGKIBQY-OAQYLSRUSA-N 0 0 377.492 3.329 20 30 GGEDRN C=CCCOCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000155467147 1423376381 /nfs/dbraw/zinc/37/63/81/1423376381.db2.gz IABHDOMIKJFUAA-UHFFFAOYSA-N 0 0 388.489 3.118 20 30 GGEDRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1sccc1C#N ZINC000155487419 1423382822 /nfs/dbraw/zinc/38/28/22/1423382822.db2.gz TVROCDFIJJYROI-UHFFFAOYSA-N 0 0 390.364 3.174 20 30 GGEDRN C[C@@H]1CN(C[C@H](O)COc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000155489322 1423383558 /nfs/dbraw/zinc/38/35/58/1423383558.db2.gz LFODXWAXXVZIIQ-SCTDSRPQSA-N 0 0 382.460 3.199 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)N[C@H](CO)c2ccccc2)nnc1-c1ccco1 ZINC000155513197 1423394845 /nfs/dbraw/zinc/39/48/45/1423394845.db2.gz CKNNGQUTVYNHAU-MRXNPFEDSA-N 0 0 398.488 3.056 20 30 GGEDRN CC[C@@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)N1CCCC1=O ZINC000155519764 1423397944 /nfs/dbraw/zinc/39/79/44/1423397944.db2.gz REGADXDQBJUKCO-FQEVSTJZSA-N 0 0 377.444 3.477 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](Sc3ncn(-c4ccccc4)n3)C2=O)cc1 ZINC000179915283 1429638344 /nfs/dbraw/zinc/63/83/44/1429638344.db2.gz RVAPNSVAZMSPPV-SFHVURJKSA-N 0 0 375.457 3.427 20 30 GGEDRN CC[C@@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)c1c(C)noc1C ZINC000155535036 1423404863 /nfs/dbraw/zinc/40/48/63/1423404863.db2.gz SIKNKKOBNYDFJN-QGZVFWFLSA-N 0 0 384.436 3.180 20 30 GGEDRN Cn1c(S[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nnc1-c1ccco1 ZINC000179916583 1429638962 /nfs/dbraw/zinc/63/89/62/1429638962.db2.gz QWEUKYZXZSSANX-MRXNPFEDSA-N 0 0 379.445 3.234 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1csc(-c2cccs2)n1 ZINC000155558189 1423417145 /nfs/dbraw/zinc/41/71/45/1423417145.db2.gz LMJCMEYEHZAFGR-CYBMUJFWSA-N 0 0 382.518 3.244 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)N2CCC([C@H](O)c3nccn3C)CC2)c1 ZINC000155563726 1423420351 /nfs/dbraw/zinc/42/03/51/1423420351.db2.gz QBSLRSFRRHIXDH-IBGZPJMESA-N 0 0 384.480 3.353 20 30 GGEDRN N#C[C@H]1CN(Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)CCO1 ZINC000155564916 1423420507 /nfs/dbraw/zinc/42/05/07/1423420507.db2.gz WDTMUXZUQXDEDV-NSHDSACASA-N 0 0 386.864 3.029 20 30 GGEDRN N#C[C@@H]1CN(Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)CCO1 ZINC000155564798 1423420898 /nfs/dbraw/zinc/42/08/98/1423420898.db2.gz WDTMUXZUQXDEDV-LLVKDONJSA-N 0 0 386.864 3.029 20 30 GGEDRN CC(C)Sc1ccccc1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155581128 1423430376 /nfs/dbraw/zinc/43/03/76/1423430376.db2.gz SMKGPESLEXSUQZ-HNNXBMFYSA-N 0 0 381.505 3.200 20 30 GGEDRN C[C@@H](c1cccc(O)c1)N(C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000155584115 1423431356 /nfs/dbraw/zinc/43/13/56/1423431356.db2.gz QWEULARYLCPZAU-HNNXBMFYSA-N 0 0 386.473 3.303 20 30 GGEDRN CC(C)[C@@H](C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1cccc(Cl)c1 ZINC000155586132 1423432529 /nfs/dbraw/zinc/43/25/29/1423432529.db2.gz UPQPRLOZOGNOJS-HNAYVOBHSA-N 0 0 397.910 3.479 20 30 GGEDRN CC(C)[C@@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1cccc(Cl)c1 ZINC000155586067 1423432579 /nfs/dbraw/zinc/43/25/79/1423432579.db2.gz UPQPRLOZOGNOJS-DNVCBOLYSA-N 0 0 397.910 3.479 20 30 GGEDRN N#CCCN(C(=O)CCC(=O)N1CCC[C@@H]1[C@H]1CCCCC1=O)c1ccccc1 ZINC000155591205 1423434965 /nfs/dbraw/zinc/43/49/65/1423434965.db2.gz WBRSEKOBARNTHN-WOJBJXKFSA-N 0 0 395.503 3.464 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)c2ccn(-c3ccccc3Cl)n2)CC1 ZINC000155603121 1423440558 /nfs/dbraw/zinc/44/05/58/1423440558.db2.gz XMXJHRPTWUITDB-UHFFFAOYSA-N 0 0 391.862 3.360 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3F)on2)CC1 ZINC000155610336 1423443486 /nfs/dbraw/zinc/44/34/86/1423443486.db2.gz FOLPLBQQFZBHHG-UHFFFAOYSA-N 0 0 376.391 3.315 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1c(Cl)ccc2cccnc21 ZINC000155611735 1423444762 /nfs/dbraw/zinc/44/47/62/1423444762.db2.gz WPDREXKYJHRNEI-CQSZACIVSA-N 0 0 378.867 3.261 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(C)(C)CCCc1ccccc1 ZINC000155613946 1423446040 /nfs/dbraw/zinc/44/60/40/1423446040.db2.gz OTRRMZBNEWBSSY-GOSISDBHSA-N 0 0 391.519 3.434 20 30 GGEDRN Cn1c(S[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nnc1-c1ccccn1 ZINC000179920503 1429642472 /nfs/dbraw/zinc/64/24/72/1429642472.db2.gz RYAWKFHCUWZECA-QGZVFWFLSA-N 0 0 390.472 3.036 20 30 GGEDRN C=CCC[C@H](NC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccccc1 ZINC000155620765 1423450921 /nfs/dbraw/zinc/45/09/21/1423450921.db2.gz CYIBGWZHNFTKRD-IBGZPJMESA-N 0 0 394.475 3.121 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(C)(C)c1ccccc1Cl ZINC000155622920 1423452034 /nfs/dbraw/zinc/45/20/34/1423452034.db2.gz MWLTWIKSRSCQRC-CQSZACIVSA-N 0 0 383.883 3.017 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1CCOc1ccc(Cl)cc1Cl ZINC000155627303 1423454734 /nfs/dbraw/zinc/45/47/34/1423454734.db2.gz UIBBSMMOJZYTLE-CYBMUJFWSA-N 0 0 392.290 3.245 20 30 GGEDRN CC(=O)c1ccc(OCCCC(=O)N2CCN(c3ccccc3C#N)CC2)cc1 ZINC000155628675 1423455634 /nfs/dbraw/zinc/45/56/34/1423455634.db2.gz JXCVRSIYDOVNMN-UHFFFAOYSA-N 0 0 391.471 3.269 20 30 GGEDRN N#Cc1ccc(C(=O)NCC(=O)N[C@H](c2cccc(F)c2)C2CCCC2)cc1 ZINC000155636576 1423460750 /nfs/dbraw/zinc/46/07/50/1423460750.db2.gz MQJQLZXOJVCALX-NRFANRHFSA-N 0 0 379.435 3.475 20 30 GGEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)O[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000179926121 1429644853 /nfs/dbraw/zinc/64/48/53/1429644853.db2.gz WSEYPBNPOCHIHP-UKRRQHHQSA-N 0 0 380.404 3.258 20 30 GGEDRN C=C(Br)CNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000155653637 1423470738 /nfs/dbraw/zinc/47/07/38/1423470738.db2.gz BJVQVERBSJDZCS-UHFFFAOYSA-N 0 0 396.466 3.066 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000155654500 1423470858 /nfs/dbraw/zinc/47/08/58/1423470858.db2.gz FMPIQEJAIUMNLC-CQSZACIVSA-N 0 0 394.866 3.367 20 30 GGEDRN N#C[C@@H](C(=O)Nc1ccccc1F)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000155663256 1423475273 /nfs/dbraw/zinc/47/52/73/1423475273.db2.gz XPLPPYXINQFJIQ-LLVKDONJSA-N 0 0 382.420 3.248 20 30 GGEDRN Cc1nc([C@@H](C#N)C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)sc1C ZINC000155662910 1423475350 /nfs/dbraw/zinc/47/53/50/1423475350.db2.gz RMGHSAPPKGSLAG-HNNXBMFYSA-N 0 0 378.461 3.211 20 30 GGEDRN COc1cccc(NC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 ZINC000155665756 1423476208 /nfs/dbraw/zinc/47/62/08/1423476208.db2.gz FOTPJJQAEWKUEB-AWEZNQCLSA-N 0 0 394.456 3.118 20 30 GGEDRN N#C[C@H](C(=O)Nc1cccc(F)c1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000155667414 1423477427 /nfs/dbraw/zinc/47/74/27/1423477427.db2.gz GWBLIQMYCPEEFF-ZDUSSCGKSA-N 0 0 382.420 3.248 20 30 GGEDRN CC(=O)c1c(C)cc(C)c(CN2CCN(c3nccnc3C#N)C[C@@H]2C)c1C ZINC000155669897 1423478333 /nfs/dbraw/zinc/47/83/33/1423478333.db2.gz BXZQUSNOAYTQKU-INIZCTEOSA-N 0 0 377.492 3.187 20 30 GGEDRN COC(=O)c1ccc(N2CCN(C(=O)c3ccc(C#N)c(Cl)c3)[C@H](C)C2)cc1 ZINC000155698446 1423492731 /nfs/dbraw/zinc/49/27/31/1423492731.db2.gz BKEBXZWXBQKSGP-CQSZACIVSA-N 0 0 397.862 3.349 20 30 GGEDRN CC(=O)Nc1cccc(NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 ZINC000155702062 1423494268 /nfs/dbraw/zinc/49/42/68/1423494268.db2.gz AAKOPMBDWCRDQG-UHFFFAOYSA-N 0 0 398.422 3.017 20 30 GGEDRN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)O[C@@H]1CC[C@H](C#N)C1 ZINC000179928639 1429647223 /nfs/dbraw/zinc/64/72/23/1429647223.db2.gz RIUBYWJFRAFQBM-ZWKOTPCHSA-N 0 0 398.484 3.323 20 30 GGEDRN N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(OCC(N)=O)cc3)c2)cc1 ZINC000155712584 1423499923 /nfs/dbraw/zinc/49/99/23/1423499923.db2.gz ROIDMJDAQRUUOO-UHFFFAOYSA-N 0 0 386.411 3.418 20 30 GGEDRN C=CCC[C@H](NC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)c1ccccc1 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GGEDRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)O[C@@H]1CC[C@H](C#N)C1 ZINC000179962044 1429664389 /nfs/dbraw/zinc/66/43/89/1429664389.db2.gz RLBVLEMBBUZLKU-JGGQBBKZSA-N 0 0 376.840 3.189 20 30 GGEDRN N#Cc1cccc(CSc2nc3ncccc3c(=O)n2C[C@@H]2CCCO2)c1 ZINC000179964453 1429665111 /nfs/dbraw/zinc/66/51/11/1429665111.db2.gz DGYZPFHEXCEBEX-INIZCTEOSA-N 0 0 378.457 3.134 20 30 GGEDRN N#CC1CCN(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)CC1 ZINC000156191839 1423716726 /nfs/dbraw/zinc/71/67/26/1423716726.db2.gz IGGRZAPPRIJLSI-UHFFFAOYSA-N 0 0 397.460 3.034 20 30 GGEDRN CC(C)CO[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000156213336 1423728951 /nfs/dbraw/zinc/72/89/51/1423728951.db2.gz BSBSTOVNYQIUSS-ZWKOTPCHSA-N 0 0 388.487 3.123 20 30 GGEDRN N#CCCN(Cc1cccnc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000156216795 1423731809 /nfs/dbraw/zinc/73/18/09/1423731809.db2.gz JFXWNTUAJIAUBB-UHFFFAOYSA-N 0 0 394.378 3.077 20 30 GGEDRN C[C@](O)(CNC(=O)c1occc1COc1cccc(C#N)c1)c1cccs1 ZINC000156219636 1423733095 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CC(C)OC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC000156249720 1423742698 /nfs/dbraw/zinc/74/26/98/1423742698.db2.gz FZAKPCIZJXFBSG-QGZVFWFLSA-N 0 0 390.436 3.059 20 30 GGEDRN Cc1cccc(OCCNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000156258501 1423746262 /nfs/dbraw/zinc/74/62/62/1423746262.db2.gz LTUBOYICLHWWFC-UHFFFAOYSA-N 0 0 394.475 3.330 20 30 GGEDRN COc1ccc(C#N)cc1Cn1cc(CNC(=O)OCc2ccccc2)cn1 ZINC000179972917 1429669334 /nfs/dbraw/zinc/66/93/34/1429669334.db2.gz YCMMYKJTDCIBFI-UHFFFAOYSA-N 0 0 376.416 3.238 20 30 GGEDRN COc1ccc2cc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)ccc2c1 ZINC000156298683 1423764159 /nfs/dbraw/zinc/76/41/59/1423764159.db2.gz IPGOMVJQQBDNJT-UHFFFAOYSA-N 0 0 397.412 3.107 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cc(C)ccc1Cl ZINC000156300279 1423764939 /nfs/dbraw/zinc/76/49/39/1423764939.db2.gz LCOYAKVSWCVCGB-UHFFFAOYSA-N 0 0 385.851 3.134 20 30 GGEDRN Cc1nc(SCC(=O)NCc2ccc(OCC3CC3)nc2)c(C#N)c(C)c1C ZINC000156301476 1423766499 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Cc1cccc(F)c1NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000157815144 1424094096 /nfs/dbraw/zinc/09/40/96/1424094096.db2.gz NCKBSVFQPWLIIJ-UHFFFAOYSA-N 0 0 381.407 3.014 20 30 GGEDRN C#CCSCCNC(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000157818146 1424094664 /nfs/dbraw/zinc/09/46/64/1424094664.db2.gz UBETVLFZBPNBFT-FQEVSTJZSA-N 0 0 384.501 3.459 20 30 GGEDRN Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000157828726 1424097880 /nfs/dbraw/zinc/09/78/80/1424097880.db2.gz MCQPFHFIBPBWMB-SECBINFHSA-N 0 0 387.383 3.091 20 30 GGEDRN C=CCn1c(SCC(=O)N2CCC[C@H]3CCCC[C@@H]32)nnc1-c1cnccn1 ZINC000157833022 1424098619 /nfs/dbraw/zinc/09/86/19/1424098619.db2.gz YHDNVBQEJHPJOY-WBVHZDCISA-N 0 0 398.536 3.194 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CN(C)C(=O)OC(C)(C)C)c1C ZINC000157831931 1424098654 /nfs/dbraw/zinc/09/86/54/1424098654.db2.gz YZAXQLFZGFXPPQ-UHFFFAOYSA-N 0 0 383.452 3.166 20 30 GGEDRN CCOC(=O)N1CCC[C@@H](C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)C1 ZINC000157840990 1424101983 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GGEDRN CCN(Cc1ccccc1)C(=O)CNC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000180022563 1429698953 /nfs/dbraw/zinc/69/89/53/1429698953.db2.gz AEISIHOKIIPRIH-MRXNPFEDSA-N 0 0 380.448 3.148 20 30 GGEDRN C=CCn1c(S[C@H](C)C(=O)N(CC)c2ccccc2)nnc1-c1cnccn1 ZINC000157873905 1424108886 /nfs/dbraw/zinc/10/88/86/1424108886.db2.gz KBFJUESCUSSTFM-OAHLLOKOSA-N 0 0 394.504 3.455 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)NCCCNC(=O)c2ccc(F)cc2)cc1C#N ZINC000157874466 1424109778 /nfs/dbraw/zinc/10/97/78/1424109778.db2.gz IQDBLDCYZJNMLD-UHFFFAOYSA-N 0 0 398.438 3.426 20 30 GGEDRN C=CCn1c(SCc2noc(-c3ccsc3)n2)nnc1-c1cnccn1 ZINC000157878873 1424110579 /nfs/dbraw/zinc/11/05/79/1424110579.db2.gz RVTHSZNUYRKXIB-UHFFFAOYSA-N 0 0 383.462 3.325 20 30 GGEDRN CNC(=O)c1cccc(CCNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1 ZINC000157880547 1424111277 /nfs/dbraw/zinc/11/12/77/1424111277.db2.gz PWSTYIHKHHBTSF-UHFFFAOYSA-N 0 0 380.448 3.069 20 30 GGEDRN CC[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1cccc(Cl)c1 ZINC000157882488 1424111315 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C=CCn1c(S[C@H](C)C(=O)N2CCN(CC)CC2)nnc1-c1ccccc1C ZINC000158111871 1424170104 /nfs/dbraw/zinc/17/01/04/1424170104.db2.gz NQUPQOCYYJHEQL-QGZVFWFLSA-N 0 0 399.564 3.084 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)C[C@@H](O)c2ccccc2)c1 ZINC000158121186 1424172485 /nfs/dbraw/zinc/17/24/85/1424172485.db2.gz ZPPGUHZLKBMDBZ-OXQOHEQNSA-N 0 0 382.460 3.208 20 30 GGEDRN Cc1cc(C[C@@H](C)NC(=O)Nc2ccn(CCC#N)n2)n(-c2ccccc2)n1 ZINC000158123685 1424173084 /nfs/dbraw/zinc/17/30/84/1424173084.db2.gz DNMTYCSNOHSUQN-OAHLLOKOSA-N 0 0 377.452 3.044 20 30 GGEDRN COc1cccc(Cc2nnc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)o2)c1 ZINC000158147781 1424179223 /nfs/dbraw/zinc/17/92/23/1424179223.db2.gz PXGTVMSTEZHCIW-ORAYPTAESA-N 0 0 388.493 3.204 20 30 GGEDRN C=CCC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)c1ccccc1 ZINC000158157404 1424181175 /nfs/dbraw/zinc/18/11/75/1424181175.db2.gz MZULSVFYDSBHOE-QGZVFWFLSA-N 0 0 397.493 3.215 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000180031728 1429704283 /nfs/dbraw/zinc/70/42/83/1429704283.db2.gz HDBZDYKSFBHQHI-HNNXBMFYSA-N 0 0 388.431 3.284 20 30 GGEDRN C#CCNC(=O)[C@@H](C)Sc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC000158164847 1424184540 /nfs/dbraw/zinc/18/45/40/1424184540.db2.gz RNMQBWOZYCSKGH-MRXNPFEDSA-N 0 0 392.484 3.076 20 30 GGEDRN N#Cc1ccc(OC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)c(F)c1 ZINC000158165554 1424184723 /nfs/dbraw/zinc/18/47/23/1424184723.db2.gz SLTHDYCSYDOVSN-UHFFFAOYSA-N 0 0 396.418 3.310 20 30 GGEDRN C[C@H](ON=C(N)c1ccc2c(c1)CCO2)C(=O)Nc1ccccc1C(F)(F)F ZINC000158166364 1424184819 /nfs/dbraw/zinc/18/48/19/1424184819.db2.gz JDEKJWFQDOLFLQ-NSHDSACASA-N 0 0 393.365 3.304 20 30 GGEDRN COc1ccc(-c2noc([C@@H](C)ON=C(N)c3ccc4c(c3)CCO4)n2)cc1 ZINC000158169660 1424185521 /nfs/dbraw/zinc/18/55/21/1424185521.db2.gz FHLZIDBDFIUTLH-GFCCVEGCSA-N 0 0 380.404 3.078 20 30 GGEDRN C=CCn1c(SCCCS(=O)(=O)C(C)C)nnc1-c1ccccc1OC ZINC000158174374 1424186769 /nfs/dbraw/zinc/18/67/69/1424186769.db2.gz LXNGDQGMLPAVCC-UHFFFAOYSA-N 0 0 395.550 3.445 20 30 GGEDRN C=CCC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)CC)c1)c1ccccc1 ZINC000158177505 1424187894 /nfs/dbraw/zinc/18/78/94/1424187894.db2.gz DDGHKQACVODTHQ-IBGZPJMESA-N 0 0 393.530 3.466 20 30 GGEDRN Cc1cccc(C)c1NC(=O)CN1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000158182214 1424188322 /nfs/dbraw/zinc/18/83/22/1424188322.db2.gz ARXJRPQRJHIDCY-UHFFFAOYSA-N 0 0 380.467 3.071 20 30 GGEDRN NC(=NOCc1cccc(C(=O)N2CCCCC2)c1)c1ccc2c(c1)CCO2 ZINC000158203954 1424194131 /nfs/dbraw/zinc/19/41/31/1424194131.db2.gz UPWAVKHIRRVDHI-UHFFFAOYSA-N 0 0 379.460 3.085 20 30 GGEDRN CCN(C)C(=O)[C@H]1CSCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000158207706 1424195293 /nfs/dbraw/zinc/19/52/93/1424195293.db2.gz FWEJKQVRUQHBCG-LJQANCHMSA-N 0 0 394.500 3.295 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)NCCCC(=O)N1Cc2ccccc2C1 ZINC000180036526 1429707051 /nfs/dbraw/zinc/70/70/51/1429707051.db2.gz WLBUXLKGKUSEDN-INIZCTEOSA-N 0 0 392.459 3.422 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1Cl ZINC000158290622 1424217810 /nfs/dbraw/zinc/21/78/10/1424217810.db2.gz NCJRUCQOSDWTPF-LJQANCHMSA-N 0 0 390.892 3.346 20 30 GGEDRN COC(=O)C(C)(C)CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000158294336 1424218738 /nfs/dbraw/zinc/21/87/38/1424218738.db2.gz QQCMUXIKJKRPGB-UHFFFAOYSA-N 0 0 382.464 3.010 20 30 GGEDRN COC(=O)CCn1c(SCc2ccc(F)c(C#N)c2)nc2ccccc2c1=O ZINC000158316045 1424224590 /nfs/dbraw/zinc/22/45/90/1424224590.db2.gz AWZRGSPOINJGLE-UHFFFAOYSA-N 0 0 397.431 3.263 20 30 GGEDRN CCc1nccn1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 ZINC000158334581 1424229193 /nfs/dbraw/zinc/22/91/93/1424229193.db2.gz CVKGWJMXHPAIOE-UHFFFAOYSA-N 0 0 377.448 3.372 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000180041661 1429709863 /nfs/dbraw/zinc/70/98/63/1429709863.db2.gz CRJZKRBSJWKCGG-HNNXBMFYSA-N 0 0 378.432 3.426 20 30 GGEDRN C#CCSCCNC(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000158345998 1424232343 /nfs/dbraw/zinc/23/23/43/1424232343.db2.gz ZZICHOWUELPIGS-UHFFFAOYSA-N 0 0 385.464 3.244 20 30 GGEDRN Cc1c(CCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cnn1C ZINC000158351712 1424233714 /nfs/dbraw/zinc/23/37/14/1424233714.db2.gz ZVSAYFJYSYLDON-UHFFFAOYSA-N 0 0 398.517 3.315 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N2CCO[C@@](C)(c3ccccc3)C2)cc1 ZINC000158363570 1424236950 /nfs/dbraw/zinc/23/69/50/1424236950.db2.gz WAXZUVPINKBUCO-JOCHJYFZSA-N 0 0 379.460 3.382 20 30 GGEDRN CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC2CC=CC2)cc1 ZINC000158369398 1424238444 /nfs/dbraw/zinc/23/84/44/1424238444.db2.gz ANWPRVYAZBDULH-RELWKKBWSA-N 0 0 390.509 3.120 20 30 GGEDRN N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@]2(O)CCc3ccccc32)o1 ZINC000158368984 1424238527 /nfs/dbraw/zinc/23/85/27/1424238527.db2.gz NHDSURBLTMHWJY-QHCPKHFHSA-N 0 0 388.423 3.294 20 30 GGEDRN N#Cc1ccccc1OCc1ccc(C(=O)NC[C@]2(O)CCc3ccccc32)o1 ZINC000158369146 1424238628 /nfs/dbraw/zinc/23/86/28/1424238628.db2.gz NHDSURBLTMHWJY-HSZRJFAPSA-N 0 0 388.423 3.294 20 30 GGEDRN N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@@H](CCC(N)=O)C3)c2)cc1 ZINC000158374305 1424239201 /nfs/dbraw/zinc/23/92/01/1424239201.db2.gz HVUQYPINLUBNNR-KRWDZBQOSA-N 0 0 376.460 3.420 20 30 GGEDRN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000158386308 1424242030 /nfs/dbraw/zinc/24/20/30/1424242030.db2.gz HIJCORWRTHBFOH-QRWLVFNGSA-N 0 0 397.450 3.435 20 30 GGEDRN CCC(CC)[C@@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)N1CCOCC1 ZINC000180043166 1429710722 /nfs/dbraw/zinc/71/07/22/1429710722.db2.gz LHYDLFPDSCVTNW-QFBILLFUSA-N 0 0 388.512 3.236 20 30 GGEDRN CCC(CC)[C@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)N1CCOCC1 ZINC000180043181 1429710763 /nfs/dbraw/zinc/71/07/63/1429710763.db2.gz LHYDLFPDSCVTNW-LPHOPBHVSA-N 0 0 388.512 3.236 20 30 GGEDRN C#CCNC(=O)c1ccccc1NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000158397062 1424244316 /nfs/dbraw/zinc/24/43/16/1424244316.db2.gz PTDFUYGXLLJULL-UHFFFAOYSA-N 0 0 397.434 3.299 20 30 GGEDRN COc1ccccc1Cc1nnc(SCC(=O)NC2(C#N)CCCCC2)o1 ZINC000158405820 1424246592 /nfs/dbraw/zinc/24/65/92/1424246592.db2.gz AWQWRBRZDGBTSH-UHFFFAOYSA-N 0 0 386.477 3.104 20 30 GGEDRN CN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@H](CCO)c1ccccc1 ZINC000158419000 1424249602 /nfs/dbraw/zinc/24/96/02/1424249602.db2.gz AZUJUSBXYZLPDA-HXUWFJFHSA-N 0 0 379.460 3.249 20 30 GGEDRN C#CCSCCNC(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000158434195 1424253699 /nfs/dbraw/zinc/25/36/99/1424253699.db2.gz KVPGQOUYLFEYDW-UHFFFAOYSA-N 0 0 385.464 3.244 20 30 GGEDRN COc1ccccc1Cc1nnc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000158452124 1424258553 /nfs/dbraw/zinc/25/85/53/1424258553.db2.gz RPTJPUWWZMIQBE-DJJJIMSYSA-N 0 0 388.493 3.204 20 30 GGEDRN COc1ccccc1Cc1nnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)o1 ZINC000158451675 1424259107 /nfs/dbraw/zinc/25/91/07/1424259107.db2.gz RPTJPUWWZMIQBE-BFUOFWGJSA-N 0 0 388.493 3.204 20 30 GGEDRN CO[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1Cl ZINC000158467781 1424264684 /nfs/dbraw/zinc/26/46/84/1424264684.db2.gz IWFHFXSXABJFDD-INIZCTEOSA-N 0 0 392.242 3.307 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCOc2c(Cl)cccc21 ZINC000158497064 1424272420 /nfs/dbraw/zinc/27/24/20/1424272420.db2.gz DLECJRQHRIGFCX-UHFFFAOYSA-N 0 0 395.850 3.229 20 30 GGEDRN COc1cc([C@@H](C#N)NC(=O)c2c(F)cccc2Cl)cc(OC)c1OC ZINC000158509697 1424275590 /nfs/dbraw/zinc/27/55/90/1424275590.db2.gz MQEDHNKZFFZRRC-CYBMUJFWSA-N 0 0 378.787 3.500 20 30 GGEDRN COc1cc([C@@H](C#N)NC(=O)c2c(F)c(F)cc(F)c2F)cc(OC)c1OC ZINC000158511802 1424276052 /nfs/dbraw/zinc/27/60/52/1424276052.db2.gz OUMPMACYLKWWED-LLVKDONJSA-N 0 0 398.312 3.263 20 30 GGEDRN Cc1nc(N2CCOCC2)ccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000180049867 1429713707 /nfs/dbraw/zinc/71/37/07/1429713707.db2.gz JOWTXRQMLLFBKP-UHFFFAOYSA-N 0 0 391.519 3.175 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCC(C)(C)c1ccccc1 ZINC000158595898 1424298205 /nfs/dbraw/zinc/29/82/05/1424298205.db2.gz OVVUCWQHMXNGNG-KRWDZBQOSA-N 0 0 377.492 3.143 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](O)c2ccsc2)cc1 ZINC000158617988 1424303176 /nfs/dbraw/zinc/30/31/76/1424303176.db2.gz HNCUYGSGNIEYSH-GOSISDBHSA-N 0 0 385.489 3.417 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)c1 ZINC000180054096 1429716102 /nfs/dbraw/zinc/71/61/02/1429716102.db2.gz DCNHRPUYZSFUML-UHFFFAOYSA-N 0 0 387.443 3.231 20 30 GGEDRN N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)cc1Cl ZINC000158642792 1424309112 /nfs/dbraw/zinc/30/91/12/1424309112.db2.gz UTNBQESLUSZZLM-GOSISDBHSA-N 0 0 381.863 3.175 20 30 GGEDRN N#Cc1cccc(SCC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000158659329 1424311912 /nfs/dbraw/zinc/31/19/12/1424311912.db2.gz WRUAGLDKIMAOOD-HXUWFJFHSA-N 0 0 376.485 3.059 20 30 GGEDRN N#Cc1cccc(SCC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000158659481 1424312513 /nfs/dbraw/zinc/31/25/13/1424312513.db2.gz WRUAGLDKIMAOOD-FQEVSTJZSA-N 0 0 376.485 3.059 20 30 GGEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)CCN2CCOCC2)cc1 ZINC000158686466 1424319729 /nfs/dbraw/zinc/31/97/29/1424319729.db2.gz WKAUHLPKTWMNLJ-UHFFFAOYSA-N 0 0 379.460 3.063 20 30 GGEDRN CCOCCC1(CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCCC1 ZINC000158687815 1424320275 /nfs/dbraw/zinc/32/02/75/1424320275.db2.gz KRCJJISUEBNFIF-UHFFFAOYSA-N 0 0 399.539 3.208 20 30 GGEDRN CN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000158709844 1424324307 /nfs/dbraw/zinc/32/43/07/1424324307.db2.gz XMOUMNJUNOCCON-UHFFFAOYSA-N 0 0 391.452 3.122 20 30 GGEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCC[C@@](C)(O)C3)c2)c1 ZINC000158714212 1424325046 /nfs/dbraw/zinc/32/50/46/1424325046.db2.gz ZBNFSQUVCNJYHF-HSZRJFAPSA-N 0 0 392.455 3.252 20 30 GGEDRN CCCC[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCC1 ZINC000158718781 1424325866 /nfs/dbraw/zinc/32/58/66/1424325866.db2.gz CRVVACMGPSARBP-OALUTQOASA-N 0 0 396.491 3.238 20 30 GGEDRN Cc1noc(C)c1[C@@H](C)CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000158717983 1424326074 /nfs/dbraw/zinc/32/60/74/1424326074.db2.gz OVBROARFSDZQIV-VIFPVBQESA-N 0 0 387.383 3.264 20 30 GGEDRN Cc1noc(C)c1[C@H](C)CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000158718120 1424326200 /nfs/dbraw/zinc/32/62/00/1424326200.db2.gz OVBROARFSDZQIV-SECBINFHSA-N 0 0 387.383 3.264 20 30 GGEDRN CCCC[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCC1 ZINC000158718499 1424326301 /nfs/dbraw/zinc/32/63/01/1424326301.db2.gz CRVVACMGPSARBP-RBUKOAKNSA-N 0 0 396.491 3.238 20 30 GGEDRN COc1cccc(Cn2nccc2NC(=O)N(CCC#N)CC2CC2)c1OC ZINC000158733460 1424330238 /nfs/dbraw/zinc/33/02/38/1424330238.db2.gz BSXJNXVTALGPBG-UHFFFAOYSA-N 0 0 383.452 3.106 20 30 GGEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@H]2c2ccccc2C)cc1OC ZINC000158743799 1424332617 /nfs/dbraw/zinc/33/26/17/1424332617.db2.gz WSGAUQTYKKNCMM-RCCFBDPRSA-N 0 0 378.428 3.463 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)c2cnn(-c3ccc(F)cc3)n2)cc1 ZINC000158746567 1424333017 /nfs/dbraw/zinc/33/30/17/1424333017.db2.gz ZLOLMUQLBFTTGN-UHFFFAOYSA-N 0 0 379.395 3.366 20 30 GGEDRN C#CCSCCNC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000158756471 1424335568 /nfs/dbraw/zinc/33/55/68/1424335568.db2.gz OXGZRCWERFBNPA-NSHDSACASA-N 0 0 377.457 3.417 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000180060072 1429718333 /nfs/dbraw/zinc/71/83/33/1429718333.db2.gz BBAOVYACGUYGHD-OAHLLOKOSA-N 0 0 395.419 3.240 20 30 GGEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@H]1c1ccncc1 ZINC000158763431 1424336968 /nfs/dbraw/zinc/33/69/68/1424336968.db2.gz CEYGAGCACGQRTH-HNNXBMFYSA-N 0 0 381.379 3.498 20 30 GGEDRN CC(C)CCN(CCC#N)S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000158798672 1424344246 /nfs/dbraw/zinc/34/42/46/1424344246.db2.gz BGCKUDYQZPYLGI-UHFFFAOYSA-N 0 0 385.489 3.380 20 30 GGEDRN C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H](O)Cc1ccccc1 ZINC000158808235 1424347744 /nfs/dbraw/zinc/34/77/44/1424347744.db2.gz GNOKTAHNJHNROA-WBMJQRKESA-N 0 0 375.375 3.273 20 30 GGEDRN C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H](O)Cc1ccccc1 ZINC000158807964 1424347985 /nfs/dbraw/zinc/34/79/85/1424347985.db2.gz GNOKTAHNJHNROA-MLGOLLRUSA-N 0 0 375.375 3.273 20 30 GGEDRN N#CCOc1ccccc1C(=O)OCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000158811758 1424348487 /nfs/dbraw/zinc/34/84/87/1424348487.db2.gz OHEZOTYLNPEFAG-UHFFFAOYSA-N 0 0 386.770 3.319 20 30 GGEDRN COc1cc(/C=C/C(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)ccc1OCC#N ZINC000158869808 1424360605 /nfs/dbraw/zinc/36/06/05/1424360605.db2.gz XPLFDTFNHYOBFY-XBWFHLPESA-N 0 0 394.471 3.282 20 30 GGEDRN COc1cc(/C=C/C(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)ccc1OCC#N ZINC000158869675 1424360912 /nfs/dbraw/zinc/36/09/12/1424360912.db2.gz XPLFDTFNHYOBFY-DLCBQZCESA-N 0 0 394.471 3.282 20 30 GGEDRN C=C[C@@H](CC(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F)c1ccccc1 ZINC000158890244 1424365278 /nfs/dbraw/zinc/36/52/78/1424365278.db2.gz YGNGYHODJCCUMW-KBXCAEBGSA-N 0 0 381.398 3.036 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(-c4ccccc4)nn3)CC2)nc1 ZINC000158905083 1424368741 /nfs/dbraw/zinc/36/87/41/1424368741.db2.gz ZDEXODDONRRLPJ-UHFFFAOYSA-N 0 0 399.458 3.201 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000180065065 1429721435 /nfs/dbraw/zinc/72/14/35/1429721435.db2.gz TUKTWWGVACSJEP-PBHICJAKSA-N 0 0 396.422 3.434 20 30 GGEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCC(=O)N2CCCCC2)cc1 ZINC000158945141 1424378941 /nfs/dbraw/zinc/37/89/41/1424378941.db2.gz UDJYWUYJPZGCJM-UHFFFAOYSA-N 0 0 377.444 3.401 20 30 GGEDRN N#C[C@@H]1CN(Cn2nc(-c3ccc(F)cc3)n(Cc3ccco3)c2=S)CCO1 ZINC000158956775 1424381640 /nfs/dbraw/zinc/38/16/40/1424381640.db2.gz NLOPUGJPXFMJEC-QGZVFWFLSA-N 0 0 399.451 3.043 20 30 GGEDRN N#C[C@H]1CN(Cn2nc(-c3ccccc3F)n(Cc3ccco3)c2=S)CCO1 ZINC000158956615 1424381795 /nfs/dbraw/zinc/38/17/95/1424381795.db2.gz RMHHNCDWHHITTM-HNNXBMFYSA-N 0 0 399.451 3.043 20 30 GGEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(CO)n2C2CC2)c1 ZINC000158986110 1424388527 /nfs/dbraw/zinc/38/85/27/1424388527.db2.gz POVSQXHRUTYXRB-HNNXBMFYSA-N 0 0 399.520 3.150 20 30 GGEDRN C#CCCCCNC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000158991018 1424388852 /nfs/dbraw/zinc/38/88/52/1424388852.db2.gz XQODZJZDDHLNLJ-UHFFFAOYSA-N 0 0 393.418 3.135 20 30 GGEDRN C[C@@H](CC#N)NC(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 ZINC000158992905 1424389500 /nfs/dbraw/zinc/38/95/00/1424389500.db2.gz SLAHTICBNVAFRT-HNNXBMFYSA-N 0 0 375.436 3.006 20 30 GGEDRN C#CCCCCNC(=O)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000159010835 1424394784 /nfs/dbraw/zinc/39/47/84/1424394784.db2.gz ITSXXELWVSVYJE-UHFFFAOYSA-N 0 0 388.518 3.164 20 30 GGEDRN CCCCSCCC(=O)N1CCN([C@@H](C#N)c2ccc(OC)cc2)CC1 ZINC000159025228 1424399492 /nfs/dbraw/zinc/39/94/92/1424399492.db2.gz ZLAKSIOMNWJEHV-IBGZPJMESA-N 0 0 375.538 3.327 20 30 GGEDRN CCCCSCCC(=O)N1CCN([C@H](C#N)c2ccc(OC)cc2)CC1 ZINC000159025370 1424399631 /nfs/dbraw/zinc/39/96/31/1424399631.db2.gz ZLAKSIOMNWJEHV-LJQANCHMSA-N 0 0 375.538 3.327 20 30 GGEDRN N#C[C@H](COC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)Cc1cccs1 ZINC000180070906 1429723480 /nfs/dbraw/zinc/72/34/80/1429723480.db2.gz RWHKCSCHWOEZGS-CYBMUJFWSA-N 0 0 382.401 3.381 20 30 GGEDRN Cc1oc(NC(=O)CN[C@@H](C(=O)OC(C)(C)C)c2ccccc2)c(C#N)c1C ZINC000159040951 1424403146 /nfs/dbraw/zinc/40/31/46/1424403146.db2.gz INTUWMFGXIDKEX-GOSISDBHSA-N 0 0 383.448 3.379 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1 ZINC000159059245 1424407911 /nfs/dbraw/zinc/40/79/11/1424407911.db2.gz BRIRVHXPAJWNGT-VQIMIIECSA-N 0 0 384.480 3.353 20 30 GGEDRN C#CCOc1ccc(CNc2ccc([C@]3(CC)CCC(=O)NC3=O)cc2)cc1 ZINC000159069853 1424409686 /nfs/dbraw/zinc/40/96/86/1424409686.db2.gz VXELUBRFLONNOP-QHCPKHFHSA-N 0 0 376.456 3.395 20 30 GGEDRN C[C@@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)[C@H](C)N1CCOCC1 ZINC000159103729 1424418317 /nfs/dbraw/zinc/41/83/17/1424418317.db2.gz YUJMXCKYNNEBQO-SJORKVTESA-N 0 0 378.476 3.141 20 30 GGEDRN C#CCCCCNC(=O)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C ZINC000159110942 1424420007 /nfs/dbraw/zinc/42/00/07/1424420007.db2.gz SJCBZYBNCXJKGO-UHFFFAOYSA-N 0 0 377.444 3.106 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000180072835 1429724820 /nfs/dbraw/zinc/72/48/20/1429724820.db2.gz AWAMHUQUOFBWJW-CQSZACIVSA-N 0 0 384.411 3.058 20 30 GGEDRN N#Cc1ccc(NC(=O)CN2CCO[C@@]3(CCc4ccccc43)C2)cc1Cl ZINC000159119112 1424421598 /nfs/dbraw/zinc/42/15/98/1424421598.db2.gz PKSUXOUUTSBRPB-NRFANRHFSA-N 0 0 381.863 3.324 20 30 GGEDRN N#Cc1ccc(NC(=O)CN2CCO[C@]3(CCc4ccccc43)C2)cc1Cl ZINC000159119005 1424421661 /nfs/dbraw/zinc/42/16/61/1424421661.db2.gz PKSUXOUUTSBRPB-OAQYLSRUSA-N 0 0 381.863 3.324 20 30 GGEDRN COc1cc([C@H](C)NC(=O)c2ccc(C#N)[nH]2)ccc1OCc1ccncc1 ZINC000159131946 1424423999 /nfs/dbraw/zinc/42/39/99/1424423999.db2.gz CMCJGDSOOWWSNO-AWEZNQCLSA-N 0 0 376.416 3.360 20 30 GGEDRN C#CCCCCNC(=O)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C ZINC000159142997 1424427442 /nfs/dbraw/zinc/42/74/42/1424427442.db2.gz YJHGSRKCBDRBLR-UHFFFAOYSA-N 0 0 377.444 3.106 20 30 GGEDRN C#CCOc1cccc(NC(=O)C(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)c1 ZINC000159179396 1424436377 /nfs/dbraw/zinc/43/63/77/1424436377.db2.gz MCSNKAMNTDZAEX-QFIPXVFZSA-N 0 0 399.450 3.246 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000180076784 1429726307 /nfs/dbraw/zinc/72/63/07/1429726307.db2.gz QRMSATSBQTWXOJ-CQSZACIVSA-N 0 0 398.488 3.465 20 30 GGEDRN COc1ccc(C)cc1N1C[C@H](C(=O)OC[C@@H](C#N)Cc2cccs2)CC1=O ZINC000180075544 1429726637 /nfs/dbraw/zinc/72/66/37/1429726637.db2.gz BLJYNERUGHRRIP-HZPDHXFCSA-N 0 0 398.484 3.344 20 30 GGEDRN N#Cc1ccc(OC2CC[NH+](Cc3cccc(-c4nnn[n-]4)c3)CC2)cc1Cl ZINC001139852923 1424442434 /nfs/dbraw/zinc/44/24/34/1424442434.db2.gz AJOIQUDDMNITFA-UHFFFAOYSA-N 0 0 394.866 3.435 20 30 GGEDRN C[C@](NC(=O)c1ccc(C#N)c(Cl)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000159215737 1424446593 /nfs/dbraw/zinc/44/65/93/1424446593.db2.gz XFCWWFVPTRLMTK-QGZVFWFLSA-N 0 0 395.768 3.361 20 30 GGEDRN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)OC[C@@H](C#N)Cc2cccs2)C1 ZINC000180078110 1429727353 /nfs/dbraw/zinc/72/73/53/1429727353.db2.gz RRSSIZDBDCPASW-DLBZAZTESA-N 0 0 391.537 3.441 20 30 GGEDRN C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1CN(C)CCO1 ZINC000159242136 1424455801 /nfs/dbraw/zinc/45/58/01/1424455801.db2.gz SOVMAUCETYKDIT-YWZLYKJASA-N 0 0 380.448 3.191 20 30 GGEDRN COC(=O)[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000180080013 1429727904 /nfs/dbraw/zinc/72/79/04/1429727904.db2.gz MXQHWGPEDZWQFO-SJKOYZFVSA-N 0 0 392.864 3.040 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000159271807 1424466591 /nfs/dbraw/zinc/46/65/91/1424466591.db2.gz NCHPNYOMFBVYDV-UTKZUKDTSA-N 0 0 393.487 3.080 20 30 GGEDRN C=C[C@@H](CC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccccc1 ZINC000159271613 1424466810 /nfs/dbraw/zinc/46/68/10/1424466810.db2.gz IVGGDGUCTNVNNY-SFHVURJKSA-N 0 0 377.488 3.373 20 30 GGEDRN C#CCSCCNC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 ZINC000159272381 1424467257 /nfs/dbraw/zinc/46/72/57/1424467257.db2.gz CVYONPGNEOWGDX-UHFFFAOYSA-N 0 0 388.514 3.148 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000159271674 1424467278 /nfs/dbraw/zinc/46/72/78/1424467278.db2.gz NCHPNYOMFBVYDV-LAUBAEHRSA-N 0 0 393.487 3.080 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000180081522 1429728501 /nfs/dbraw/zinc/72/85/01/1429728501.db2.gz YNLMORBNBURXMM-QGZVFWFLSA-N 0 0 394.475 3.478 20 30 GGEDRN C=CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(C)c(-c2ncco2)c1 ZINC000159291591 1424475149 /nfs/dbraw/zinc/47/51/49/1424475149.db2.gz WREABRJHEMNVCR-UHFFFAOYSA-N 0 0 391.427 3.470 20 30 GGEDRN CCNC(=O)COc1ccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180083587 1429729287 /nfs/dbraw/zinc/72/92/87/1429729287.db2.gz MAWSQABCDCKFGA-UHFFFAOYSA-N 0 0 389.459 3.086 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)NCC1([C@@H](O)c2ccccc2)CC1 ZINC000159309805 1424480496 /nfs/dbraw/zinc/48/04/96/1424480496.db2.gz NHAPFQHYGYCZNL-KRWDZBQOSA-N 0 0 376.865 3.004 20 30 GGEDRN CC(=O)N1CC[C@@H](NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 ZINC000159312607 1424481532 /nfs/dbraw/zinc/48/15/32/1424481532.db2.gz ZJMOEXHSFDOKMN-QGZVFWFLSA-N 0 0 383.835 3.355 20 30 GGEDRN CC(C)[C@H](C(=O)OC[C@@H](C#N)Cc1cccs1)N1C(=O)c2ccccc2C1=O ZINC000180082260 1429729428 /nfs/dbraw/zinc/72/94/28/1429729428.db2.gz LUAAXSVAPAZBMO-RDTXWAMCSA-N 0 0 396.468 3.294 20 30 GGEDRN C=CCNc1ncc(C(=O)N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC000159341817 1424490517 /nfs/dbraw/zinc/49/05/17/1424490517.db2.gz XQACSWKEWXCSRE-IBGZPJMESA-N 0 0 392.525 3.214 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(F)ccc1OC(F)F ZINC000159342461 1424490524 /nfs/dbraw/zinc/49/05/24/1424490524.db2.gz BQMRBXIIVGBRRM-UHFFFAOYSA-N 0 0 379.338 3.175 20 30 GGEDRN N#C[C@H](NC(=O)[C@H](c1ccccc1F)N1CCOCC1)c1ccc(Cl)cc1 ZINC000159356565 1424495032 /nfs/dbraw/zinc/49/50/32/1424495032.db2.gz BFTXSVSRIDMTCA-OALUTQOASA-N 0 0 387.842 3.233 20 30 GGEDRN COC(=O)C1=C(C(=O)c2ccco2)[C@H](c2cc3ccccc3s2)NC(=S)N1 ZINC000159374770 1424496655 /nfs/dbraw/zinc/49/66/55/1424496655.db2.gz KKYCVWDEFAYFRX-HNNXBMFYSA-N 0 0 398.465 3.323 20 30 GGEDRN N#CCSc1ccccc1NC(=O)CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000159387923 1424498795 /nfs/dbraw/zinc/49/87/95/1424498795.db2.gz KEQCPAOOFFPWOK-JOCHJYFZSA-N 0 0 393.512 3.415 20 30 GGEDRN Cc1oc(NC(=O)[C@@H](C)N2CCO[C@]3(CCc4ccccc43)C2)c(C#N)c1C ZINC000159398836 1424499718 /nfs/dbraw/zinc/49/97/18/1424499718.db2.gz UYWQJZBNEBPBNO-IVZQSRNASA-N 0 0 379.460 3.269 20 30 GGEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCOc1ccc(C(F)(F)F)cn1 ZINC000159401380 1424499739 /nfs/dbraw/zinc/49/97/39/1424499739.db2.gz BGVDWXFWOJPXEM-UHFFFAOYSA-N 0 0 393.365 3.325 20 30 GGEDRN Cc1oc(NC(=O)[C@H](C)N2CCO[C@]3(CCc4ccccc43)C2)c(C#N)c1C ZINC000159398960 1424499824 /nfs/dbraw/zinc/49/98/24/1424499824.db2.gz UYWQJZBNEBPBNO-OYHNWAKOSA-N 0 0 379.460 3.269 20 30 GGEDRN C[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C[C@H]1C ZINC000159404657 1424500493 /nfs/dbraw/zinc/50/04/93/1424500493.db2.gz XRZLTAHXEYBURF-SZHWJQTNSA-N 0 0 392.525 3.009 20 30 GGEDRN Cc1cc(=O)c(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000159410027 1424500644 /nfs/dbraw/zinc/50/06/44/1424500644.db2.gz URQCNSFOXQESJE-KRWDZBQOSA-N 0 0 378.819 3.189 20 30 GGEDRN N#C[C@@H](NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc(Cl)cc1 ZINC000159416281 1424501470 /nfs/dbraw/zinc/50/14/70/1424501470.db2.gz KAOSGUOVLVYNRD-MOPGFXCFSA-N 0 0 387.842 3.233 20 30 GGEDRN CN(C)C(=O)Nc1cccc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1 ZINC000159428468 1424501986 /nfs/dbraw/zinc/50/19/86/1424501986.db2.gz IKFRFXOHRZBCTA-UHFFFAOYSA-N 0 0 380.448 3.126 20 30 GGEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159441803 1424502928 /nfs/dbraw/zinc/50/29/28/1424502928.db2.gz LNPUHYPPWJZCFA-QXAKKESOSA-N 0 0 379.464 3.223 20 30 GGEDRN C[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C[C@H]1C ZINC000159517360 1424509749 /nfs/dbraw/zinc/50/97/49/1424509749.db2.gz AVFJIFVEKWJADU-SZHWJQTNSA-N 0 0 392.525 3.009 20 30 GGEDRN Cc1nc(CN2CCC(C(=O)Nc3ccc(F)cc3OCC#N)CC2)cs1 ZINC000159522725 1424510763 /nfs/dbraw/zinc/51/07/63/1424510763.db2.gz WTJKQCWUFVDZMQ-UHFFFAOYSA-N 0 0 388.468 3.344 20 30 GGEDRN N#Cc1cc(Br)cc(S(=O)(=O)Oc2ccc(F)cc2C=O)c1 ZINC000159527355 1424511099 /nfs/dbraw/zinc/51/10/99/1424511099.db2.gz MDJCZZPGIXXTTO-UHFFFAOYSA-N 0 0 384.182 3.040 20 30 GGEDRN N#CCOc1cc(F)ccc1NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000159534206 1424512080 /nfs/dbraw/zinc/51/20/80/1424512080.db2.gz NWBPCLSWHJZVQV-UHFFFAOYSA-N 0 0 395.312 3.115 20 30 GGEDRN C[C@H]1CC[C@H](COC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)O1 ZINC000159556201 1424512831 /nfs/dbraw/zinc/51/28/31/1424512831.db2.gz FIFPMNJHDZSYPR-XJKSGUPXSA-N 0 0 384.392 3.096 20 30 GGEDRN N#CCOc1cc(F)ccc1NC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000159558597 1424514078 /nfs/dbraw/zinc/51/40/78/1424514078.db2.gz GHRPBVPQUQAONE-OAHLLOKOSA-N 0 0 387.798 3.373 20 30 GGEDRN CCn1c(SCC(=O)N(CC#N)c2ccccc2)nc2ccc(F)cc2c1=O ZINC000159585675 1424515691 /nfs/dbraw/zinc/51/56/91/1424515691.db2.gz DSILRYNOXQLURZ-UHFFFAOYSA-N 0 0 396.447 3.204 20 30 GGEDRN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC#Cc2cccc(Cl)c2)C1=O ZINC000159583340 1424516063 /nfs/dbraw/zinc/51/60/63/1424516063.db2.gz YHXCBULAJNBWCF-LJQANCHMSA-N 0 0 383.791 3.067 20 30 GGEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(c2nncn2C)CC1 ZINC000159587857 1424516671 /nfs/dbraw/zinc/51/66/71/1424516671.db2.gz YVGSKGOTKPMGQU-UHFFFAOYSA-N 0 0 394.397 3.419 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(Cc2ccccc2F)o1 ZINC000159618899 1424518693 /nfs/dbraw/zinc/51/86/93/1424518693.db2.gz OQHJBZXVCHATNI-KPZWWZAWSA-N 0 0 376.457 3.335 20 30 GGEDRN Cc1onc(-c2ccccn2)c1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000159649410 1424520130 /nfs/dbraw/zinc/52/01/30/1424520130.db2.gz FQGQWBJGAGCCHL-LJQANCHMSA-N 0 0 387.443 3.068 20 30 GGEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000159649689 1424520189 /nfs/dbraw/zinc/52/01/89/1424520189.db2.gz ZLMMFZQWOJZJKA-OAQYLSRUSA-N 0 0 388.471 3.125 20 30 GGEDRN Cc1nc(-c2ccccc2)ncc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000159654114 1424521532 /nfs/dbraw/zinc/52/15/32/1424521532.db2.gz FWXVNZWTBSRVFY-QFIPXVFZSA-N 0 0 397.482 3.475 20 30 GGEDRN C=CCn1c(SCC(=O)NCc2ccccc2F)nnc1-c1ccccn1 ZINC000159659139 1424521889 /nfs/dbraw/zinc/52/18/89/1424521889.db2.gz PPJDCHJIOLJGOG-UHFFFAOYSA-N 0 0 383.452 3.074 20 30 GGEDRN CN(C)S(=O)(=O)c1cccc(NC(=O)N[C@H](CCC#N)c2ccccc2)c1 ZINC000159663488 1424522073 /nfs/dbraw/zinc/52/20/73/1424522073.db2.gz WASSDBLCMYKUQM-GOSISDBHSA-N 0 0 386.477 3.103 20 30 GGEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2CSCN2C(=O)C2CCC2)cc1 ZINC000159679874 1424524053 /nfs/dbraw/zinc/52/40/53/1424524053.db2.gz YVFOTUJHKJUHDY-ZWKOTPCHSA-N 0 0 385.533 3.367 20 30 GGEDRN C=CCn1c(S[C@@H](C)C(=O)NCc2ccc(F)cc2)nnc1-c1ccccn1 ZINC000159695388 1424524950 /nfs/dbraw/zinc/52/49/50/1424524950.db2.gz CKSGXVREHRCGGY-AWEZNQCLSA-N 0 0 397.479 3.462 20 30 GGEDRN C=CCn1c(SCC(=O)N(C)Cc2ccccc2)nnc1-c1ccccn1 ZINC000159696873 1424525310 /nfs/dbraw/zinc/52/53/10/1424525310.db2.gz FCKYTFKXDUIEMZ-UHFFFAOYSA-N 0 0 379.489 3.277 20 30 GGEDRN C[C@H]1Oc2ccccc2N(CCC(=O)OC[C@H](C#N)Cc2cccs2)C1=O ZINC000180091027 1429732749 /nfs/dbraw/zinc/73/27/49/1429732749.db2.gz NXEBSEXOLUXZEE-CABCVRRESA-N 0 0 384.457 3.178 20 30 GGEDRN C=CCn1c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc1-c1ccccn1 ZINC000159707008 1424525911 /nfs/dbraw/zinc/52/59/11/1424525911.db2.gz MQLZFUYAZNFGEI-LIRRHRJNSA-N 0 0 384.509 3.061 20 30 GGEDRN N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H](CC(N)=O)C3)c2)cc1 ZINC000159709486 1424526605 /nfs/dbraw/zinc/52/66/05/1424526605.db2.gz QOBPZKKBLONBOU-MRXNPFEDSA-N 0 0 378.432 3.470 20 30 GGEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H](c2nncn2C)C1 ZINC000159727175 1424528079 /nfs/dbraw/zinc/52/80/79/1424528079.db2.gz SMDPRQUYSLEBSN-CYBMUJFWSA-N 0 0 394.397 3.419 20 30 GGEDRN N#Cc1cc(S(=O)(=O)N2CCO[C@]3(CCc4ccccc43)C2)ccc1Cl ZINC000159739050 1424529006 /nfs/dbraw/zinc/52/90/06/1424529006.db2.gz VOEQKKUKNPDQEB-LJQANCHMSA-N 0 0 388.876 3.074 20 30 GGEDRN N#CC(C(=O)CCc1cccc(F)c1F)c1nc(N)nc(Nc2ccccc2)n1 ZINC000159735024 1424529771 /nfs/dbraw/zinc/52/97/71/1424529771.db2.gz MOOZVIKSWFNVKN-CQSZACIVSA-N 0 0 394.385 3.285 20 30 GGEDRN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)NC(=O)CC2CCCCC2)cc1 ZINC000159768647 1424532307 /nfs/dbraw/zinc/53/23/07/1424532307.db2.gz CVBFAIHVQNWRHW-BEFAXECRSA-N 0 0 383.492 3.371 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCO[C@@]3(CCc4ccccc43)C2)cc1Cl ZINC000159773252 1424533667 /nfs/dbraw/zinc/53/36/67/1424533667.db2.gz QPTUCCVBUJWRDF-IBGZPJMESA-N 0 0 388.876 3.074 20 30 GGEDRN CCOc1ccc(-c2nc(Cn3nc(CC)c(CC)c(C#N)c3=O)co2)cc1 ZINC000159796168 1424536204 /nfs/dbraw/zinc/53/62/04/1424536204.db2.gz FTQFZZMOPKFBPU-UHFFFAOYSA-N 0 0 378.432 3.342 20 30 GGEDRN N#Cc1cccc(CNC(=O)c2ccnc(Cl)c2I)c1 ZINC000159786296 1424536335 /nfs/dbraw/zinc/53/63/35/1424536335.db2.gz TWONNUMXDUVQDI-UHFFFAOYSA-N 0 0 397.603 3.141 20 30 GGEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c2c(C)noc2C)cc1Cl ZINC000159789091 1424536834 /nfs/dbraw/zinc/53/68/34/1424536834.db2.gz CEUUWLBKUHTSBD-ZANVPECISA-N 0 0 375.812 3.405 20 30 GGEDRN CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCn2cc([N+](=O)[O-])nc2C)cc1 ZINC000159802015 1424537688 /nfs/dbraw/zinc/53/76/88/1424537688.db2.gz DQAYROHRSUCUPJ-SUMWQHHRSA-N 0 0 397.435 3.351 20 30 GGEDRN C#CC[C@H](OC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)C(C)(C)C ZINC000159821332 1424539180 /nfs/dbraw/zinc/53/91/80/1424539180.db2.gz QGCXOSLAQKGBAL-HNNXBMFYSA-N 0 0 383.535 3.056 20 30 GGEDRN N#Cc1ccc(C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1Cl ZINC000159815562 1424539714 /nfs/dbraw/zinc/53/97/14/1424539714.db2.gz IYFJEUMZWPWTQO-GFCCVEGCSA-N 0 0 375.762 3.025 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000180092117 1429733826 /nfs/dbraw/zinc/73/38/26/1429733826.db2.gz XMBUJPPCXMOHLK-HZPDHXFCSA-N 0 0 386.496 3.384 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000180092132 1429733979 /nfs/dbraw/zinc/73/39/79/1429733979.db2.gz XMBUJPPCXMOHLK-HOTGVXAUSA-N 0 0 386.496 3.384 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000180093648 1429734378 /nfs/dbraw/zinc/73/43/78/1429734378.db2.gz RKDCCCMEJRAPJG-HNNXBMFYSA-N 0 0 398.488 3.419 20 30 GGEDRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000159891479 1424550767 /nfs/dbraw/zinc/55/07/67/1424550767.db2.gz UXPVXDXNYGFQPM-UHFFFAOYSA-N 0 0 382.390 3.067 20 30 GGEDRN CN(C)c1cc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c2ccccc2n1 ZINC000159927668 1424553704 /nfs/dbraw/zinc/55/37/04/1424553704.db2.gz QZHVBCBDJXXIOI-JOCHJYFZSA-N 0 0 399.498 3.323 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)CCc2ccccc2)cc1C#N ZINC000159940071 1424554626 /nfs/dbraw/zinc/55/46/26/1424554626.db2.gz JCOVKOWOSZSLRP-INIZCTEOSA-N 0 0 379.460 3.421 20 30 GGEDRN C=CCn1c(-c2cccs2)nn(CN2CCC(OCCOC)CC2)c1=S ZINC000159956819 1424556283 /nfs/dbraw/zinc/55/62/83/1424556283.db2.gz LNQJHBJVFKONNY-UHFFFAOYSA-N 0 0 394.566 3.413 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000159961384 1424557445 /nfs/dbraw/zinc/55/74/45/1424557445.db2.gz UVDWFEZVPADTRO-UHFFFAOYSA-N 0 0 394.475 3.002 20 30 GGEDRN CCc1ccc(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 ZINC000159973364 1424558400 /nfs/dbraw/zinc/55/84/00/1424558400.db2.gz CVVDZGYAAXZQDG-UHFFFAOYSA-N 0 0 390.443 3.260 20 30 GGEDRN CCN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)[C@@H](C)CS(C)(=O)=O ZINC000160005000 1424561762 /nfs/dbraw/zinc/56/17/62/1424561762.db2.gz BRFBMXWCLIIAIC-HNNXBMFYSA-N 0 0 385.489 3.197 20 30 GGEDRN N#Cc1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2OC2CCCC2)c1 ZINC000160009930 1424562560 /nfs/dbraw/zinc/56/25/60/1424562560.db2.gz YEANPBWLEWKGMM-UHFFFAOYSA-N 0 0 381.407 3.274 20 30 GGEDRN COC(=O)c1[nH]c(C)c(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1C ZINC000160008292 1424562733 /nfs/dbraw/zinc/56/27/33/1424562733.db2.gz HPFZFIBYSUBOMF-UHFFFAOYSA-N 0 0 395.459 3.410 20 30 GGEDRN COCCC1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCC1 ZINC000160024924 1424563702 /nfs/dbraw/zinc/56/37/02/1424563702.db2.gz OKKHOGHZSTYRGX-KRWDZBQOSA-N 0 0 388.487 3.172 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)CCc1c(C)nc(-c2cccnc2)[nH]c1=O ZINC000160025760 1424563852 /nfs/dbraw/zinc/56/38/52/1424563852.db2.gz NFZIPYHBZAPOAM-UHFFFAOYSA-N 0 0 388.471 3.288 20 30 GGEDRN C=CCn1c(Cc2csc(NC(=O)C(=O)c3ccc(C)cc3)n2)n[nH]c1=S ZINC000160081469 1424572084 /nfs/dbraw/zinc/57/20/84/1424572084.db2.gz VRNPFOLZLPAVNT-UHFFFAOYSA-N 0 0 399.501 3.304 20 30 GGEDRN CC(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(C#N)c(Cl)c3)cc2)CC1 ZINC000160082853 1424572406 /nfs/dbraw/zinc/57/24/06/1424572406.db2.gz BCLHAOIELSKIFY-UHFFFAOYSA-N 0 0 396.878 3.128 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000180097213 1429736626 /nfs/dbraw/zinc/73/66/26/1429736626.db2.gz OSKVTTYGPPKFHQ-LPHOPBHVSA-N 0 0 392.459 3.463 20 30 GGEDRN Cn1cnc2cc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)cnc21 ZINC000160126342 1424576484 /nfs/dbraw/zinc/57/64/84/1424576484.db2.gz DWQSUPITKZNIOL-UHFFFAOYSA-N 0 0 375.310 3.033 20 30 GGEDRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCc2cccc(C#N)c2)C1 ZINC000160146614 1424579089 /nfs/dbraw/zinc/57/90/89/1424579089.db2.gz IGNOOGYTCYDARC-MAUKXSAKSA-N 0 0 386.496 3.393 20 30 GGEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCn4ccnc4C3)c2)c1 ZINC000160139446 1424579416 /nfs/dbraw/zinc/57/94/16/1424579416.db2.gz JZSJZVQLXVBDSH-QGZVFWFLSA-N 0 0 385.427 3.208 20 30 GGEDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCc2cccc(C#N)c2)C1 ZINC000160146750 1424579507 /nfs/dbraw/zinc/57/95/07/1424579507.db2.gz IGNOOGYTCYDARC-CRAIPNDOSA-N 0 0 386.496 3.393 20 30 GGEDRN CN(C)c1ccc(Br)c(S(=O)(=O)Oc2ccc(CC#N)cc2)c1 ZINC000160140800 1424579546 /nfs/dbraw/zinc/57/95/46/1424579546.db2.gz APCSRUZWHFFOJG-UHFFFAOYSA-N 0 0 395.278 3.349 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(F)cc3cccnc32)CC1 ZINC000160148325 1424580163 /nfs/dbraw/zinc/58/01/63/1424580163.db2.gz FYFWLTIDCATMLA-UHFFFAOYSA-N 0 0 378.382 3.347 20 30 GGEDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCc2ccc(C#N)cc2)C1 ZINC000160156693 1424581586 /nfs/dbraw/zinc/58/15/86/1424581586.db2.gz CFJUCZBHYFWSQC-QAPCUYQASA-N 0 0 386.496 3.393 20 30 GGEDRN C=CCn1c(SCCn2cc([N+](=O)[O-])ccc2=O)nnc1-c1cccs1 ZINC000160185029 1424585542 /nfs/dbraw/zinc/58/55/42/1424585542.db2.gz GRLBOTPSVLZQKF-UHFFFAOYSA-N 0 0 389.462 3.055 20 30 GGEDRN N#Cc1ccc(Cn2cnc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)n2)cc1 ZINC000160196454 1424586254 /nfs/dbraw/zinc/58/62/54/1424586254.db2.gz VEHLMWXMAUIYEA-UHFFFAOYSA-N 0 0 382.767 3.012 20 30 GGEDRN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1sccc1C#N ZINC000160197305 1424586486 /nfs/dbraw/zinc/58/64/86/1424586486.db2.gz IGVIBKBGUVDERY-QGZVFWFLSA-N 0 0 380.473 3.423 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnc3c(c2)ncn3C)cc1 ZINC000160216534 1424588174 /nfs/dbraw/zinc/58/81/74/1424588174.db2.gz DQQNFCPUEHPEII-UHFFFAOYSA-N 0 0 375.432 3.035 20 30 GGEDRN Cc1nn(C)c(C)c1[C@H](OC(=O)Cc1ccc(OCC#N)cc1)C(F)(F)F ZINC000160218063 1424588305 /nfs/dbraw/zinc/58/83/05/1424588305.db2.gz QCFGZVJXWCRVED-KRWDZBQOSA-N 0 0 381.354 3.329 20 30 GGEDRN Cc1nn(C)c(C)c1[C@@H](OC(=O)Cc1ccc(OCC#N)cc1)C(F)(F)F ZINC000160218180 1424588309 /nfs/dbraw/zinc/58/83/09/1424588309.db2.gz QCFGZVJXWCRVED-QGZVFWFLSA-N 0 0 381.354 3.329 20 30 GGEDRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000160253011 1424590416 /nfs/dbraw/zinc/59/04/16/1424590416.db2.gz YNZAXPIEWFCIKE-CABCVRRESA-N 0 0 385.489 3.195 20 30 GGEDRN Cc1c(NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)cnn1-c1ccccc1F ZINC000160261039 1424590663 /nfs/dbraw/zinc/59/06/63/1424590663.db2.gz PHOQJQGNDYMOBT-CYBMUJFWSA-N 0 0 391.406 3.007 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000160276059 1424592074 /nfs/dbraw/zinc/59/20/74/1424592074.db2.gz ZAMMNWGBFZIBOD-FQEVSTJZSA-N 0 0 392.459 3.080 20 30 GGEDRN N#Cc1ccc(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1Cl ZINC000160287998 1424592886 /nfs/dbraw/zinc/59/28/86/1424592886.db2.gz RKNCDZUAGWCUGI-GOSISDBHSA-N 0 0 383.835 3.259 20 30 GGEDRN CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C12CCCCC2 ZINC000160305932 1424593538 /nfs/dbraw/zinc/59/35/38/1424593538.db2.gz XSDMQRBPTBWEIK-DLBZAZTESA-N 0 0 389.883 3.394 20 30 GGEDRN O=C(CSc1ccc([N+](=O)[O-])cn1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000160314781 1424594416 /nfs/dbraw/zinc/59/44/16/1424594416.db2.gz ZTOCBQJBCAGPDI-UHFFFAOYSA-N 0 0 395.362 3.269 20 30 GGEDRN Cc1ccc(-c2nc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)n[nH]2)o1 ZINC000160316142 1424594443 /nfs/dbraw/zinc/59/44/43/1424594443.db2.gz 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CCCCC[C@@H](NC(=O)NCCNC(=O)C1N=CC=CC1=O)c1ccccc1 ZINC000171907025 1425848879 /nfs/dbraw/zinc/84/88/79/1425848879.db2.gz SOQCCMFIZSDRLS-FTHOYRMOSA-N 0 0 384.480 3.134 20 30 GGEDRN CN(C)S(=O)(=O)c1ccc(C(=O)C=Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000171909742 1425849744 /nfs/dbraw/zinc/84/97/44/1425849744.db2.gz NFCUTMUHEDRIPX-OUKQBFOZSA-N 0 0 381.457 3.223 20 30 GGEDRN CN(C)S(=O)(=O)c1cccc(C(=O)C=Cc2nc(-c3ccccc3)c[nH]2)c1 ZINC000171909823 1425850082 /nfs/dbraw/zinc/85/00/82/1425850082.db2.gz JEPHTVZSQJQDJC-VAWYXSNFSA-N 0 0 381.457 3.223 20 30 GGEDRN COC(=O)[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)c2ccccc21 ZINC000171934930 1425856497 /nfs/dbraw/zinc/85/64/97/1425856497.db2.gz ZHUVNCCJQMLVRF-IBGZPJMESA-N 0 0 378.428 3.411 20 30 GGEDRN C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000171952413 1425859834 /nfs/dbraw/zinc/85/98/34/1425859834.db2.gz ITAZIDCMFWALMK-GOSISDBHSA-N 0 0 385.414 3.468 20 30 GGEDRN C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000171952416 1425860617 /nfs/dbraw/zinc/86/06/17/1425860617.db2.gz ITAZIDCMFWALMK-SFHVURJKSA-N 0 0 385.414 3.468 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)CC1 ZINC000171965364 1425863690 /nfs/dbraw/zinc/86/36/90/1425863690.db2.gz YZVZVVAEWDMDNP-HZPDHXFCSA-N 0 0 385.389 3.428 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)CC1 ZINC000171965374 1425863828 /nfs/dbraw/zinc/86/38/28/1425863828.db2.gz YZVZVVAEWDMDNP-HOTGVXAUSA-N 0 0 385.389 3.428 20 30 GGEDRN COC(=O)Nc1ccccc1C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000171966172 1425864445 /nfs/dbraw/zinc/86/44/45/1425864445.db2.gz RBYOTRPPLAECRH-UHFFFAOYSA-N 0 0 378.432 3.089 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccccc2NC(=O)C(C)(C)C)c1 ZINC000171967820 1425864524 /nfs/dbraw/zinc/86/45/24/1425864524.db2.gz DLMPXTGCCHFEMI-UHFFFAOYSA-N 0 0 391.471 3.363 20 30 GGEDRN Cc1ccccc1[C@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(C)C ZINC000171968882 1425865052 /nfs/dbraw/zinc/86/50/52/1425865052.db2.gz IEWIWYSQFPTQLH-OAQYLSRUSA-N 0 0 377.492 3.491 20 30 GGEDRN Cc1ccccc1[C@@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(C)C ZINC000171968885 1425865074 /nfs/dbraw/zinc/86/50/74/1425865074.db2.gz IEWIWYSQFPTQLH-NRFANRHFSA-N 0 0 377.492 3.491 20 30 GGEDRN COc1cc(C(=O)/C=C/c2cnn(C(C)C)c2)ccc1S(=O)(=O)C(F)F ZINC000171982001 1425867055 /nfs/dbraw/zinc/86/70/55/1425867055.db2.gz DNOHKHXWNATRTO-GQCTYLIASA-N 0 0 384.404 3.365 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2cnn(C(C)C)c2)cc1 ZINC000171981543 1425867125 /nfs/dbraw/zinc/86/71/25/1425867125.db2.gz QYYHCNDBZAWDOL-KPKJPENVSA-N 0 0 375.494 3.391 20 30 GGEDRN O=S(=O)(C(F)F)N1CCC(C/N=C/c2c(O)ccc3ccccc32)CC1 ZINC000171989269 1425868058 /nfs/dbraw/zinc/86/80/58/1425868058.db2.gz KGVXDSPFFZCZHE-CIAFOILYSA-N 0 0 382.432 3.229 20 30 GGEDRN N#Cc1ccc(OCCCNc2cccc(C(=O)N3CCC(CO)CC3)c2)cc1 ZINC000171989374 1425868138 /nfs/dbraw/zinc/86/81/38/1425868138.db2.gz ZYOOKXVXWNYJII-UHFFFAOYSA-N 0 0 393.487 3.284 20 30 GGEDRN C=CCNC(=O)c1ccc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)nc1 ZINC000171987090 1425868174 /nfs/dbraw/zinc/86/81/74/1425868174.db2.gz RGLWBLZGCMVNNP-HNNXBMFYSA-N 0 0 388.512 3.127 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)c3cnc(-c4ccsc4)s3)CC2)nc1 ZINC000171993436 1425869270 /nfs/dbraw/zinc/86/92/70/1425869270.db2.gz DURPLYDCCLZSLQ-UHFFFAOYSA-N 0 0 381.486 3.101 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)c3cccc(Oc4ccncc4)c3)CC2)nc1 ZINC000172001256 1425870939 /nfs/dbraw/zinc/87/09/39/1425870939.db2.gz RKOIBQUCTVARGH-UHFFFAOYSA-N 0 0 385.427 3.103 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)Cn2c(C)nc3ccccc32)ccc1OC ZINC000172007402 1425871902 /nfs/dbraw/zinc/87/19/02/1425871902.db2.gz SANKEPSVFOUBFV-KRWDZBQOSA-N 0 0 392.459 3.351 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2cnc3ccccc3n2)ccc1OC ZINC000172007502 1425871935 /nfs/dbraw/zinc/87/19/35/1425871935.db2.gz GUDPQQMBHZXKOC-HNNXBMFYSA-N 0 0 376.416 3.249 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H]2COc3ccccc3C2)ccc1OC ZINC000172007587 1425871968 /nfs/dbraw/zinc/87/19/68/1425871968.db2.gz QQVVHYMDBUUFMH-ROUUACIJSA-N 0 0 380.444 3.244 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000172017997 1425874803 /nfs/dbraw/zinc/87/48/03/1425874803.db2.gz SJXZDPWNRAQZTK-UHFFFAOYSA-N 0 0 393.287 3.149 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000172021499 1425876377 /nfs/dbraw/zinc/87/63/77/1425876377.db2.gz XFHFAQLTXBEIMM-IBGZPJMESA-N 0 0 390.491 3.357 20 30 GGEDRN CN(Cc1ccccc1)C(=O)NCCC(=O)N[C@H](C#N)c1ccccc1Cl ZINC000172025597 1425876650 /nfs/dbraw/zinc/87/66/50/1425876650.db2.gz PLGRCYFIHDSWTF-GOSISDBHSA-N 0 0 384.867 3.253 20 30 GGEDRN C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000172024564 1425876709 /nfs/dbraw/zinc/87/67/09/1425876709.db2.gz URVROIHKTPKSCF-GOSISDBHSA-N 0 0 384.779 3.087 20 30 GGEDRN CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C#N)c2ccccc2Cl)cc1 ZINC000172025045 1425876800 /nfs/dbraw/zinc/87/68/00/1425876800.db2.gz LAERNHBDMDTYLX-QGZVFWFLSA-N 0 0 391.880 3.021 20 30 GGEDRN COc1ccccc1N1C[C@H](C(=O)N[C@@H](C#N)c2ccccc2Cl)CC1=O ZINC000172025891 1425877151 /nfs/dbraw/zinc/87/71/51/1425877151.db2.gz OXVCSEQHLCRUEC-CJNGLKHVSA-N 0 0 383.835 3.083 20 30 GGEDRN COc1ccccc1N1C[C@@H](C(=O)N[C@H](C#N)c2ccccc2Cl)CC1=O ZINC000172025899 1425877347 /nfs/dbraw/zinc/87/73/47/1425877347.db2.gz OXVCSEQHLCRUEC-XJKSGUPXSA-N 0 0 383.835 3.083 20 30 GGEDRN N#CCCCCNC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000172028432 1425877690 /nfs/dbraw/zinc/87/76/90/1425877690.db2.gz UXQRJTBGRUNIFK-OAHLLOKOSA-N 0 0 375.448 3.063 20 30 GGEDRN N#C[C@@H](NC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O)c1ccccc1Cl ZINC000172028072 1425877728 /nfs/dbraw/zinc/87/77/28/1425877728.db2.gz ILDGJZQLLVZGHC-CXAGYDPISA-N 0 0 389.789 3.352 20 30 GGEDRN N#C[C@H](NC(=O)Cn1cnc2c3ccccc3oc2c1=O)c1ccccc1Cl ZINC000172030250 1425878323 /nfs/dbraw/zinc/87/83/23/1425878323.db2.gz MBVUMROWPVYTLR-HNNXBMFYSA-N 0 0 392.802 3.177 20 30 GGEDRN N#C[C@@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccccc1Cl ZINC000172031842 1425878814 /nfs/dbraw/zinc/87/88/14/1425878814.db2.gz GKQQYJUSJYNHFF-QGZVFWFLSA-N 0 0 380.835 3.280 20 30 GGEDRN N#C[C@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccccc1Cl ZINC000172031838 1425878816 /nfs/dbraw/zinc/87/88/16/1425878816.db2.gz GKQQYJUSJYNHFF-KRWDZBQOSA-N 0 0 380.835 3.280 20 30 GGEDRN COc1ccc(CN2C[C@@H](C(=O)N[C@@H](C#N)c3ccccc3Cl)CC2=O)cc1 ZINC000172031131 1425878819 /nfs/dbraw/zinc/87/88/19/1425878819.db2.gz HSAGHFHXIVTBDS-KXBFYZLASA-N 0 0 397.862 3.078 20 30 GGEDRN N#C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Cl ZINC000172031358 1425878889 /nfs/dbraw/zinc/87/88/89/1425878889.db2.gz LVGDCPMQTAYRHM-KRWDZBQOSA-N 0 0 381.779 3.429 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C#N)c1ccccc1Cl ZINC000172033479 1425879192 /nfs/dbraw/zinc/87/91/92/1425879192.db2.gz RFSVAWZVGJJPGK-GOSISDBHSA-N 0 0 392.850 3.185 20 30 GGEDRN COc1ccc([C@@H](CC(=O)N[C@H](C#N)c2ccccc2Cl)NC(C)=O)cc1 ZINC000172033873 1425879312 /nfs/dbraw/zinc/87/93/12/1425879312.db2.gz ZVDOGUNPMINEKJ-RTBURBONSA-N 0 0 385.851 3.297 20 30 GGEDRN C[C@@H](CS(C)(=O)=O)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000172054574 1425884105 /nfs/dbraw/zinc/88/41/05/1425884105.db2.gz RAABKRWCPSDGAG-AWEZNQCLSA-N 0 0 388.514 3.013 20 30 GGEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)COC[C@H]2CCOC2)cc1 ZINC000172057477 1425885047 /nfs/dbraw/zinc/88/50/47/1425885047.db2.gz NLFVPJSZXUVQDW-FQEVSTJZSA-N 0 0 382.435 3.279 20 30 GGEDRN Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1Oc1ccncc1 ZINC000172064934 1425887526 /nfs/dbraw/zinc/88/75/26/1425887526.db2.gz DJQRJRNWYZPYEC-UHFFFAOYSA-N 0 0 399.454 3.411 20 30 GGEDRN COc1ccc([C@H]2[C@@H](C(=O)Nc3cc(C#N)ccc3C)CCC(=O)N2C)cc1 ZINC000172067701 1425888018 /nfs/dbraw/zinc/88/80/18/1425888018.db2.gz KIKSNIUAYXHMLN-RXVVDRJESA-N 0 0 377.444 3.424 20 30 GGEDRN C=CC[C@H](C)NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000172078523 1425890660 /nfs/dbraw/zinc/89/06/60/1425890660.db2.gz ONBMABCONOTGJK-LBPRGKRZSA-N 0 0 386.374 3.410 20 30 GGEDRN C=CC[C@H](C)NC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000172078153 1425890734 /nfs/dbraw/zinc/89/07/34/1425890734.db2.gz GTQRFQKRMRMLJU-AWEZNQCLSA-N 0 0 389.887 3.182 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000172079206 1425891368 /nfs/dbraw/zinc/89/13/68/1425891368.db2.gz DZMVBUDCZDXNDF-LJQANCHMSA-N 0 0 399.516 3.255 20 30 GGEDRN N#Cc1ccccc1OCc1cccc(C(=O)NC2(C(N)=O)CCCCC2)c1 ZINC000172102758 1425896576 /nfs/dbraw/zinc/89/65/76/1425896576.db2.gz NHEJGNYYSLZCNX-UHFFFAOYSA-N 0 0 377.444 3.055 20 30 GGEDRN N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(OCC(N)=O)c1 ZINC000172103945 1425896716 /nfs/dbraw/zinc/89/67/16/1425896716.db2.gz BNFYUUYAKITKDQ-UHFFFAOYSA-N 0 0 377.425 3.403 20 30 GGEDRN N#CCOc1ccc(CNC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)cc1 ZINC000172120486 1425903600 /nfs/dbraw/zinc/90/36/00/1425903600.db2.gz KVFRJJZPTWTWQQ-SFHVURJKSA-N 0 0 382.439 3.196 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000172123533 1425905264 /nfs/dbraw/zinc/90/52/64/1425905264.db2.gz WJUOSALLORPBRO-UHFFFAOYSA-N 0 0 391.880 3.158 20 30 GGEDRN CCCOc1ccc(/C=N/[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)c(O)c1 ZINC000172127535 1425907035 /nfs/dbraw/zinc/90/70/35/1425907035.db2.gz ZLYZWBKCGUJNMF-RXULLKCLSA-N 0 0 382.460 3.410 20 30 GGEDRN N#CCCCCNC(=O)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000172144452 1425916400 /nfs/dbraw/zinc/91/64/00/1425916400.db2.gz CDLDDSGWWKDDMT-HHHXNRCGSA-N 0 0 389.521 3.017 20 30 GGEDRN CN(C(=O)NCc1ccc(OCC#N)cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000172148799 1425920387 /nfs/dbraw/zinc/92/03/87/1425920387.db2.gz YDMMWSKCHMMUSX-HXUWFJFHSA-N 0 0 378.476 3.399 20 30 GGEDRN N#C[C@H]1CN(C(=O)c2cnc(-c3ccco3)s2)CCN1Cc1ccccc1 ZINC000172154062 1425923685 /nfs/dbraw/zinc/92/36/85/1425923685.db2.gz VAPDDYVRKYNVBC-INIZCTEOSA-N 0 0 378.457 3.253 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000172179448 1425935669 /nfs/dbraw/zinc/93/56/69/1425935669.db2.gz AASKTZGUXNLWOY-YJBOKZPZSA-N 0 0 377.444 3.300 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000172181529 1425936713 /nfs/dbraw/zinc/93/67/13/1425936713.db2.gz KZBJCQQTQBGNRW-UHFFFAOYSA-N 0 0 395.434 3.473 20 30 GGEDRN C=C(Br)COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](C)CC ZINC000172184739 1425938055 /nfs/dbraw/zinc/93/80/55/1425938055.db2.gz UZMINILQFYEOPL-BLLLJJGKSA-N 0 0 380.282 3.438 20 30 GGEDRN C=C(Br)COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](C)CC ZINC000172184742 1425938426 /nfs/dbraw/zinc/93/84/26/1425938426.db2.gz UZMINILQFYEOPL-WBMJQRKESA-N 0 0 380.282 3.438 20 30 GGEDRN C=C(Br)COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](C)CC ZINC000172184745 1425938568 /nfs/dbraw/zinc/93/85/68/1425938568.db2.gz UZMINILQFYEOPL-LRDDRELGSA-N 0 0 380.282 3.438 20 30 GGEDRN C[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C(=O)NC(C)(C)C ZINC000172203967 1425945482 /nfs/dbraw/zinc/94/54/82/1425945482.db2.gz WBSOBDQJCCVYNS-OAHLLOKOSA-N 0 0 379.460 3.170 20 30 GGEDRN N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@H](C4OCCO4)C3)c2)c1 ZINC000172209996 1425948160 /nfs/dbraw/zinc/94/81/60/1425948160.db2.gz KRFOTSCEVITRHV-HXUWFJFHSA-N 0 0 392.455 3.362 20 30 GGEDRN Cc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000172215935 1425951068 /nfs/dbraw/zinc/95/10/68/1425951068.db2.gz XJXWWZNZNJEUIU-PYCFMQQDSA-N 0 0 386.477 3.452 20 30 GGEDRN C[C@H]1CN(c2ccc(NC(=O)Nc3ccn(CCC#N)n3)cc2F)C[C@H](C)O1 ZINC000172220560 1425952285 /nfs/dbraw/zinc/95/22/85/1425952285.db2.gz YQJOWUNOTSVBDY-KBPBESRZSA-N 0 0 386.431 3.193 20 30 GGEDRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)NCCCCC#N)c1 ZINC000172253453 1425968959 /nfs/dbraw/zinc/96/89/59/1425968959.db2.gz CJPUHROXBMRHQD-UHFFFAOYSA-N 0 0 392.525 3.455 20 30 GGEDRN CS(=O)(=O)c1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1 ZINC000172256291 1425970249 /nfs/dbraw/zinc/97/02/49/1425970249.db2.gz PDQVAJYGNNWCOM-UHFFFAOYSA-N 0 0 383.454 3.338 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)NC[C@@H](C)Cn2ccnc2C)ccc1OC ZINC000172258484 1425971644 /nfs/dbraw/zinc/97/16/44/1425971644.db2.gz FUXVEBXGRVTIPQ-QAPCUYQASA-N 0 0 399.495 3.017 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)N(C)Cc2scnc2C)ccc1OC ZINC000172271984 1425976766 /nfs/dbraw/zinc/97/67/66/1425976766.db2.gz SSLATDMIYVKQCZ-OAHLLOKOSA-N 0 0 388.493 3.483 20 30 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20 30 GGEDRN C[C@@](C#N)(NC(=O)CNc1cccc(C[S@](=O)c2ccccc2)c1)C1CC1 ZINC000172381847 1426021206 /nfs/dbraw/zinc/02/12/06/1426021206.db2.gz HRRCMPJGIOCQFG-IDISGSTGSA-N 0 0 381.501 3.215 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)c2cccc(-c3nc(C)cs3)c2)c1 ZINC000172385178 1426021584 /nfs/dbraw/zinc/02/15/84/1426021584.db2.gz KELBNUPRXXZCQF-UHFFFAOYSA-N 0 0 375.453 3.468 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCC[C@H]3Cc3ccccc3)CC2)nc1 ZINC000172385276 1426021617 /nfs/dbraw/zinc/02/16/17/1426021617.db2.gz PCYFZNYQCBCIQM-SFTDATJTSA-N 0 0 389.503 3.196 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCC[C@@H]3Cc3ccccc3)CC2)nc1 ZINC000172385281 1426021647 /nfs/dbraw/zinc/02/16/47/1426021647.db2.gz PCYFZNYQCBCIQM-RTWAWAEBSA-N 0 0 389.503 3.196 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@@H]3Cc3ccccc3)CC2)nc1 ZINC000172385291 1426022288 /nfs/dbraw/zinc/02/22/88/1426022288.db2.gz PCYFZNYQCBCIQM-NHCUHLMSSA-N 0 0 389.503 3.196 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)NCC3(c4cccc(Cl)c4)CC3)CC2)nc1 ZINC000172392601 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389.311 3.162 20 30 GGEDRN COC[C@@H]1CN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CCO1 ZINC000172631215 1426119603 /nfs/dbraw/zinc/11/96/03/1426119603.db2.gz IKKGPBRVXRVQSU-SFHVURJKSA-N 0 0 386.835 3.491 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000172634848 1426121527 /nfs/dbraw/zinc/12/15/27/1426121527.db2.gz PJGFEEVFFWDQRH-OALUTQOASA-N 0 0 391.471 3.423 20 30 GGEDRN COc1cc(C#N)ccc1OCCN1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000172649217 1426127143 /nfs/dbraw/zinc/12/71/43/1426127143.db2.gz IXZXHONMHCVOJK-UHFFFAOYSA-N 0 0 399.878 3.057 20 30 GGEDRN COc1cc(C#N)ccc1OCCN(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000172649288 1426127362 /nfs/dbraw/zinc/12/73/62/1426127362.db2.gz ASPLNKDUTDFCNV-OAHLLOKOSA-N 0 0 388.489 3.042 20 30 GGEDRN CC(C)[C@H](O)CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000172655968 1426129593 /nfs/dbraw/zinc/12/95/93/1426129593.db2.gz OBDHKUOBUPWWSL-PKOBYXMFSA-N 0 0 399.878 3.067 20 30 GGEDRN COc1ccc(C#N)cc1C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C 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385.489 3.215 20 30 GGEDRN CCOc1cc(CNS(=O)(=O)c2ccc(C#N)cc2C)ccc1OC(F)F ZINC000172673330 1426136883 /nfs/dbraw/zinc/13/68/83/1426136883.db2.gz NVEWFLSUMBLEQP-UHFFFAOYSA-N 0 0 396.415 3.345 20 30 GGEDRN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)cc2C)cc1OC ZINC000172672240 1426136938 /nfs/dbraw/zinc/13/69/38/1426136938.db2.gz SZWQUOLRUKZGMC-KRWDZBQOSA-N 0 0 386.473 3.410 20 30 GGEDRN COc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3C)CC2)cc1 ZINC000172672212 1426137092 /nfs/dbraw/zinc/13/70/92/1426137092.db2.gz TYWCEPSYYFYIDO-UHFFFAOYSA-N 0 0 398.484 3.159 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(OCCc2ccccc2)CC1 ZINC000172674055 1426137500 /nfs/dbraw/zinc/13/75/00/1426137500.db2.gz YITAYBCZQRONBI-UHFFFAOYSA-N 0 0 384.501 3.279 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000172673813 1426137542 /nfs/dbraw/zinc/13/75/42/1426137542.db2.gz CQDQGMLZKUIUTK-UHFFFAOYSA-N 0 0 388.464 3.033 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000172674279 1426137561 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C=CCOc1cccc(NC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)c1 ZINC000174128302 1427013456 /nfs/dbraw/zinc/01/34/56/1427013456.db2.gz IJBLACCBLSXNPC-UHFFFAOYSA-N 0 0 382.464 3.149 20 30 GGEDRN CCOc1ccccc1OCCON=C(N)c1cccnc1N1CCCCC1 ZINC000174126966 1427013923 /nfs/dbraw/zinc/01/39/23/1427013923.db2.gz JRCZNRINFBUXGN-UHFFFAOYSA-N 0 0 384.480 3.187 20 30 GGEDRN NC(=NOCC(=O)N(C1CC1)C1CCCC1)c1cccnc1Oc1ccccc1 ZINC000174128509 1427014465 /nfs/dbraw/zinc/01/44/65/1427014465.db2.gz LQOLPXXCPBNZEL-UHFFFAOYSA-N 0 0 394.475 3.444 20 30 GGEDRN NC(=NOCC(=O)N(C1CC1)C1CCCC1)c1ccc(Oc2ccccc2)nc1 ZINC000174128610 1427014591 /nfs/dbraw/zinc/01/45/91/1427014591.db2.gz DBFMCICMASUVLE-UHFFFAOYSA-N 0 0 394.475 3.444 20 30 GGEDRN C[C@@H](ON=C(N)c1ccc(OCc2cccnc2)cc1)c1nc(C2CC2)no1 ZINC000174131437 1427014921 /nfs/dbraw/zinc/01/49/21/1427014921.db2.gz WRBGKVRDOJMCMH-CYBMUJFWSA-N 0 0 379.420 3.319 20 30 GGEDRN C[C@H](ON=C(N)c1ccc(OCc2cccnc2)cc1)c1nc(C2CC2)no1 ZINC000174131420 1427015102 /nfs/dbraw/zinc/01/51/02/1427015102.db2.gz WRBGKVRDOJMCMH-ZDUSSCGKSA-N 0 0 379.420 3.319 20 30 GGEDRN C[C@H](ON=C(N)c1cccc(OCc2cccnc2)c1)c1nc(C2CC2)no1 ZINC000174132031 1427015713 /nfs/dbraw/zinc/01/57/13/1427015713.db2.gz CQTZSORYZVUJEZ-ZDUSSCGKSA-N 0 0 379.420 3.319 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)cc1 ZINC000174143496 1427020099 /nfs/dbraw/zinc/02/00/99/1427020099.db2.gz IRRNREZCBKUXGK-UHFFFAOYSA-N 0 0 393.491 3.201 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)CN2CCOc3ccc(Cl)cc32)cc1 ZINC000174145858 1427020725 /nfs/dbraw/zinc/02/07/25/1427020725.db2.gz UPDUEVLNLWJIIU-UHFFFAOYSA-N 0 0 385.851 3.093 20 30 GGEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCCC[C@H]2CCO)c1C#N ZINC000174157908 1427025546 /nfs/dbraw/zinc/02/55/46/1427025546.db2.gz HGTGDGDWOUXLHP-SFHVURJKSA-N 0 0 380.492 3.141 20 30 GGEDRN NC(=CC(=O)N1CCCCC1)NOCc1csc(-c2ccc(F)cc2)n1 ZINC000174185032 1427037876 /nfs/dbraw/zinc/03/78/76/1427037876.db2.gz GBWRFAMUMYTPKB-UHFFFAOYSA-N 0 0 376.457 3.141 20 30 GGEDRN N#Cc1cccnc1NCCOC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000174186175 1427038860 /nfs/dbraw/zinc/03/88/60/1427038860.db2.gz NPEVANDRBNEMFH-UHFFFAOYSA-N 0 0 380.282 3.149 20 30 GGEDRN Cc1ccc(NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1[N+](=O)[O-] ZINC000174187830 1427039932 /nfs/dbraw/zinc/03/99/32/1427039932.db2.gz AYRITWBEMJRKQD-UHFFFAOYSA-N 0 0 395.419 3.380 20 30 GGEDRN COc1ccc(-c2n[nH]c(=S)n2CC(=O)N(CCC#N)CCC(C)C)cc1 ZINC000174188447 1427039955 /nfs/dbraw/zinc/03/99/55/1427039955.db2.gz MWYQVOUJCWKSEB-UHFFFAOYSA-N 0 0 387.509 3.405 20 30 GGEDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000174191427 1427041797 /nfs/dbraw/zinc/04/17/97/1427041797.db2.gz WGJKHISILWEBCO-UHFFFAOYSA-N 0 0 395.419 3.380 20 30 GGEDRN CC(C)CO[C@H](C)c1noc(CN(C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)n1 ZINC000174208166 1427051486 /nfs/dbraw/zinc/05/14/86/1427051486.db2.gz YYKXMDRTRIMKBQ-LSDHHAIUSA-N 0 0 385.468 3.134 20 30 GGEDRN N#C[C@H](NC(=O)C1CCN(c2cnccn2)CC1)c1cccc(Cl)c1Cl ZINC000174210424 1427052490 /nfs/dbraw/zinc/05/24/90/1427052490.db2.gz XXHYXRSLEGIUBG-HNNXBMFYSA-N 0 0 390.274 3.381 20 30 GGEDRN COc1cccc(C(N)=NOCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 ZINC000174214069 1427054413 /nfs/dbraw/zinc/05/44/13/1427054413.db2.gz RXNYXZSFFVRHSP-HNNXBMFYSA-N 0 0 377.444 3.363 20 30 GGEDRN Cc1cc(C(=O)CON=C(N)[C@@H](C)OCC(C)C)c(C)n1CC(F)(F)F ZINC000174220746 1427057482 /nfs/dbraw/zinc/05/74/82/1427057482.db2.gz KJWYDRNFAGCJNJ-CYBMUJFWSA-N 0 0 377.407 3.200 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)c1 ZINC000174227491 1427059835 /nfs/dbraw/zinc/05/98/35/1427059835.db2.gz ADYOBIAISDIIED-UWJYYQICSA-N 0 0 398.528 3.417 20 30 GGEDRN CCO[C@@H]1C[C@@H](NC(=O)N(CCOC)Cc2ccc(C#N)cc2)C12CCCC2 ZINC000174231100 1427061211 /nfs/dbraw/zinc/06/12/11/1427061211.db2.gz VGMIZGKLPUSCNS-WOJBJXKFSA-N 0 0 385.508 3.454 20 30 GGEDRN Cc1nc(C2(NCC(=O)N(CCC#N)c3cccc(C)c3C)CCCC2)no1 ZINC000174233867 1427062500 /nfs/dbraw/zinc/06/25/00/1427062500.db2.gz PIGFMGGHNRYOSD-UHFFFAOYSA-N 0 0 381.480 3.301 20 30 GGEDRN C=CCOc1ccc(OCc2nnc3n2c2ccccc2c(=O)n3CC)cc1 ZINC000174234610 1427063088 /nfs/dbraw/zinc/06/30/88/1427063088.db2.gz BUSAPMISXZJDMJ-UHFFFAOYSA-N 0 0 376.416 3.208 20 30 GGEDRN COc1cc(OC)cc([C@@H](NCc2ccc(OC)c(C#N)c2)c2nccn2C)c1 ZINC000174259804 1427073489 /nfs/dbraw/zinc/07/34/89/1427073489.db2.gz DXPBUHSNZPAVCY-OAQYLSRUSA-N 0 0 392.459 3.197 20 30 GGEDRN N#CCN(C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)C1CCCC1 ZINC000174273281 1427079071 /nfs/dbraw/zinc/07/90/71/1427079071.db2.gz JHNHIGWQNUCDEI-UHFFFAOYSA-N 0 0 375.885 3.182 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)Nc3c(F)cc(F)cc3F)CC2)c(F)c1 ZINC000174275584 1427079714 /nfs/dbraw/zinc/07/97/14/1427079714.db2.gz VGDZFKNBILAYSK-UHFFFAOYSA-N 0 0 378.329 3.469 20 30 GGEDRN Cc1ccccc1-c1noc([C@@H](C)[S@](=O)CC(=O)Nc2cccc(C#N)c2)n1 ZINC000174277315 1427080839 /nfs/dbraw/zinc/08/08/39/1427080839.db2.gz MZOUDYKJNLYHIT-GMYLUUGSSA-N 0 0 394.456 3.365 20 30 GGEDRN C=CCc1cc(C(=O)N[C@@H](C[S@](C)=O)c2ccccc2)cc(OC)c1OC ZINC000174306405 1427093933 /nfs/dbraw/zinc/09/39/33/1427093933.db2.gz PJORCSHSZPMKKF-MYUZEXMDSA-N 0 0 387.501 3.282 20 30 GGEDRN C=CCc1cc(C(=O)N[C@@H](C[S@@](C)=O)c2ccccc2)cc(OC)c1OC ZINC000174306429 1427093982 /nfs/dbraw/zinc/09/39/82/1427093982.db2.gz PJORCSHSZPMKKF-XRHLQHRESA-N 0 0 387.501 3.282 20 30 GGEDRN C=CCc1cc(C(=O)N[C@H](C[S@](C)=O)c2ccccc2)cc(OC)c1OC ZINC000174306417 1427094272 /nfs/dbraw/zinc/09/42/72/1427094272.db2.gz PJORCSHSZPMKKF-CLYVBNDRSA-N 0 0 387.501 3.282 20 30 GGEDRN C=CCc1cc(C(=O)N[C@H](C[S@@](C)=O)c2ccccc2)cc(OC)c1OC ZINC000174306441 1427094368 /nfs/dbraw/zinc/09/43/68/1427094368.db2.gz PJORCSHSZPMKKF-DNOBIOAJSA-N 0 0 387.501 3.282 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)Nc3cccc(CC(F)(F)F)c3)CC2)nc1 ZINC000174319668 1427099876 /nfs/dbraw/zinc/09/98/76/1427099876.db2.gz AUZBEMALGAVNGP-UHFFFAOYSA-N 0 0 389.381 3.412 20 30 GGEDRN C[C@H](N[C@@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)NC1(C#N)CCCCC1 ZINC000174336905 1427108108 /nfs/dbraw/zinc/10/81/08/1427108108.db2.gz GHMYQEQPDRWIAR-KBPBESRZSA-N 0 0 385.443 3.257 20 30 GGEDRN C[C@@H](N[C@@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)NC1(C#N)CCCCC1 ZINC000174336929 1427108138 /nfs/dbraw/zinc/10/81/38/1427108138.db2.gz GHMYQEQPDRWIAR-KGLIPLIRSA-N 0 0 385.443 3.257 20 30 GGEDRN C[C@@H](N[C@@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)Nc1ccccc1C#N ZINC000174337184 1427108354 /nfs/dbraw/zinc/10/83/54/1427108354.db2.gz SLADXNZJPSORAQ-OLZOCXBDSA-N 0 0 379.395 3.425 20 30 GGEDRN C[C@@H](N[C@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)Nc1ccccc1C#N ZINC000174337197 1427108377 /nfs/dbraw/zinc/10/83/77/1427108377.db2.gz SLADXNZJPSORAQ-CHWSQXEVSA-N 0 0 379.395 3.425 20 30 GGEDRN CC(C)c1nncn1CCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000174341409 1427110888 /nfs/dbraw/zinc/11/08/88/1427110888.db2.gz CCRDDGCYHKGYTO-UHFFFAOYSA-N 0 0 389.459 3.282 20 30 GGEDRN N#CCN1CCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000174350322 1427115052 /nfs/dbraw/zinc/11/50/52/1427115052.db2.gz JZOFYPNMTGEYFC-UHFFFAOYSA-N 0 0 380.395 3.110 20 30 GGEDRN C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)NC(=O)NC1CC1 ZINC000174350027 1427115318 /nfs/dbraw/zinc/11/53/18/1427115318.db2.gz AZUOCDAYRCMWGD-GFCCVEGCSA-N 0 0 382.395 3.278 20 30 GGEDRN CCc1nc(NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)sc1C ZINC000174354737 1427116642 /nfs/dbraw/zinc/11/66/42/1427116642.db2.gz KJPTWNQZJTWKHD-UHFFFAOYSA-N 0 0 385.493 3.491 20 30 GGEDRN N#CCN1CCN(C(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000174353458 1427116858 /nfs/dbraw/zinc/11/68/58/1427116858.db2.gz QKAROKBRMJCLAP-UHFFFAOYSA-N 0 0 389.381 3.125 20 30 GGEDRN CC#CCOC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000174355749 1427117244 /nfs/dbraw/zinc/11/72/44/1427117244.db2.gz HNFIAXRWQIRHDG-UHFFFAOYSA-N 0 0 376.503 3.053 20 30 GGEDRN Cc1ccc(N2CCOC2=O)cc1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000174360239 1427119412 /nfs/dbraw/zinc/11/94/12/1427119412.db2.gz RZPFFZDDJACGSO-GOSISDBHSA-N 0 0 376.416 3.041 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](C)Oc1ccc(F)cc1 ZINC000174365792 1427122474 /nfs/dbraw/zinc/12/24/74/1427122474.db2.gz BHPNEIYDOXGMTM-HNNXBMFYSA-N 0 0 386.423 3.449 20 30 GGEDRN N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000174377170 1427127683 /nfs/dbraw/zinc/12/76/83/1427127683.db2.gz PZGOCIHHPJUQLE-CTNGQTDRSA-N 0 0 392.507 3.160 20 30 GGEDRN CC(C)(C)OC(=O)NCc1nc(C(=O)NCc2cc(C#N)ccc2F)cs1 ZINC000174397661 1427137408 /nfs/dbraw/zinc/13/74/08/1427137408.db2.gz IWGNNMUGWNDZPC-UHFFFAOYSA-N 0 0 390.440 3.109 20 30 GGEDRN CN1C(=O)C[C@@H](C(=O)NCc2cc(C#N)ccc2F)[C@@H]1c1cccc(Cl)c1 ZINC000174397770 1427137657 /nfs/dbraw/zinc/13/76/57/1427137657.db2.gz ULWUGOFPMYFIHK-APWZRJJASA-N 0 0 385.826 3.187 20 30 GGEDRN CCOc1ccc(C(=O)N[C@H](C(=O)NCc2cc(C#N)ccc2F)C(C)C)cc1 ZINC000174398890 1427138291 /nfs/dbraw/zinc/13/82/91/1427138291.db2.gz DKWKFTBSXBAGRS-FQEVSTJZSA-N 0 0 397.450 3.167 20 30 GGEDRN COc1ccc(-c2nnc(SCC(=O)NCc3cc(C#N)ccc3F)o2)cc1 ZINC000174400542 1427139315 /nfs/dbraw/zinc/13/93/15/1427139315.db2.gz RRIJJLMDKKUVIA-UHFFFAOYSA-N 0 0 398.419 3.164 20 30 GGEDRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3cc(C#N)ccc3F)C2)cc1 ZINC000174400944 1427140790 /nfs/dbraw/zinc/14/07/90/1427140790.db2.gz ZJFUEQOFFMGFBE-SFHVURJKSA-N 0 0 379.435 3.174 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c1 ZINC000174401873 1427141190 /nfs/dbraw/zinc/14/11/90/1427141190.db2.gz BBRWSQPVBGJZSM-UHFFFAOYSA-N 0 0 386.448 3.344 20 30 GGEDRN CC(C)[C@H](C(=O)NCc1cc(C#N)ccc1F)S(=O)(=O)C1CCCCC1 ZINC000174402269 1427141398 /nfs/dbraw/zinc/14/13/98/1427141398.db2.gz PSJVGRIVVGLYQP-GOSISDBHSA-N 0 0 380.485 3.086 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 ZINC000174409823 1427145003 /nfs/dbraw/zinc/14/50/03/1427145003.db2.gz FHEMYGMEOMJSAZ-UHFFFAOYSA-N 0 0 378.407 3.371 20 30 GGEDRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cc(C#N)ccc1F ZINC000174411772 1427146485 /nfs/dbraw/zinc/14/64/85/1427146485.db2.gz GBIQKWPLADEDKX-IBGZPJMESA-N 0 0 397.450 3.450 20 30 GGEDRN CCc1c(C(=O)NCc2cc(C#N)ccc2F)nnn1-c1cccc(Cl)c1 ZINC000174416996 1427148735 /nfs/dbraw/zinc/14/87/35/1427148735.db2.gz RTFPUDTYDNOIHO-UHFFFAOYSA-N 0 0 383.814 3.424 20 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C#Cc1cccc(NC(=O)CNC(=O)c2cc(Cl)c(Cl)cc2OC)c1 ZINC000175650677 1427844581 /nfs/dbraw/zinc/84/45/81/1427844581.db2.gz JPYFKIUSAUSDBY-UHFFFAOYSA-N 0 0 377.227 3.352 20 30 GGEDRN N#Cc1cccc(CNC(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c1 ZINC000175663052 1427848736 /nfs/dbraw/zinc/84/87/36/1427848736.db2.gz CDJDVTGDKFMCCK-LJQANCHMSA-N 0 0 388.471 3.384 20 30 GGEDRN N#Cc1cccc(CNC(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)c1 ZINC000175663071 1427848952 /nfs/dbraw/zinc/84/89/52/1427848952.db2.gz CDJDVTGDKFMCCK-IBGZPJMESA-N 0 0 388.471 3.384 20 30 GGEDRN N#Cc1ccc(CNC(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)cc1 ZINC000175663636 1427849383 /nfs/dbraw/zinc/84/93/83/1427849383.db2.gz OMRJJUQGMKTQHY-IBGZPJMESA-N 0 0 388.471 3.384 20 30 GGEDRN COC[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(C)o1 ZINC000175670899 1427851497 /nfs/dbraw/zinc/85/14/97/1427851497.db2.gz CGKQAWSCDWEVID-LJQANCHMSA-N 0 0 383.448 3.400 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000175672967 1427851968 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GGEDRN N#CCSc1cccc(C(=O)N(CCN2CCOCC2)c2ccccc2)c1 ZINC000175703919 1427864703 /nfs/dbraw/zinc/86/47/03/1427864703.db2.gz MSLFUXLXRHQGIP-UHFFFAOYSA-N 0 0 381.501 3.281 20 30 GGEDRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)c2cc(C#N)c[nH]2)c1 ZINC000175710204 1427866492 /nfs/dbraw/zinc/86/64/92/1427866492.db2.gz PDPCVJAOUHPJRH-UHFFFAOYSA-N 0 0 386.477 3.092 20 30 GGEDRN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175711154 1427867132 /nfs/dbraw/zinc/86/71/32/1427867132.db2.gz XDRVMJWWOWRHLY-UHFFFAOYSA-N 0 0 391.393 3.176 20 30 GGEDRN CC(C)(C)OC(=O)N1CC(CC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000175714926 1427867796 /nfs/dbraw/zinc/86/77/96/1427867796.db2.gz QGNMGVKOXSKYQP-UHFFFAOYSA-N 0 0 396.409 3.430 20 30 GGEDRN CC(C)(C)OC(=O)NC(C)(C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175714324 1427868003 /nfs/dbraw/zinc/86/80/03/1427868003.db2.gz UZWBSVKRUNRYFX-UHFFFAOYSA-N 0 0 384.398 3.476 20 30 GGEDRN C[C@H](CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)NC(=O)C1CCCC1 ZINC000175717777 1427868761 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CC(C)[C@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O ZINC000175761125 1427882231 /nfs/dbraw/zinc/88/22/31/1427882231.db2.gz WVFMOCAJMBFOTM-AUUYWEPGSA-N 0 0 376.412 3.483 20 30 GGEDRN C[C@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)c1ccc(C#N)cc1 ZINC000175765140 1427884117 /nfs/dbraw/zinc/88/41/17/1427884117.db2.gz YCZOXQHOGAKVCO-BBRMVZONSA-N 0 0 390.486 3.077 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)c1 ZINC000175772938 1427887913 /nfs/dbraw/zinc/88/79/13/1427887913.db2.gz ZFVJGCGYOGVVDN-UHFFFAOYSA-N 0 0 398.463 3.208 20 30 GGEDRN CCOc1cccc(N2CCN(C(=O)c3cccc(SCC#N)c3)CC2)n1 ZINC000175774213 1427888130 /nfs/dbraw/zinc/88/81/30/1427888130.db2.gz OALXKBUONZHVPV-UHFFFAOYSA-N 0 0 382.489 3.058 20 30 GGEDRN C=CCN(CCc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O ZINC000175780796 1427890517 /nfs/dbraw/zinc/89/05/17/1427890517.db2.gz FPEKFAXFHIDPLJ-QHCPKHFHSA-N 0 0 389.499 3.472 20 30 GGEDRN C=CCN(CCc1ccccc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O ZINC000175780809 1427890630 /nfs/dbraw/zinc/89/06/30/1427890630.db2.gz FPEKFAXFHIDPLJ-HSZRJFAPSA-N 0 0 389.499 3.472 20 30 GGEDRN CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000175786700 1427892456 /nfs/dbraw/zinc/89/24/56/1427892456.db2.gz FDEMMDLTGJLRFR-CQSZACIVSA-N 0 0 375.436 3.233 20 30 GGEDRN CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000175786711 1427892532 /nfs/dbraw/zinc/89/25/32/1427892532.db2.gz FDEMMDLTGJLRFR-AWEZNQCLSA-N 0 0 375.436 3.233 20 30 GGEDRN CCCNc1ccc(C#N)cc1NC(=O)C[C@@H](NC(N)=O)c1ccccc1C ZINC000175787232 1427892550 /nfs/dbraw/zinc/89/25/50/1427892550.db2.gz VOMSPFSWHLLCEK-GOSISDBHSA-N 0 0 379.464 3.427 20 30 GGEDRN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000175788829 1427893008 /nfs/dbraw/zinc/89/30/08/1427893008.db2.gz ASTYBKCTEZIPFN-OAHLLOKOSA-N 0 0 384.457 3.325 20 30 GGEDRN CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000175791862 1427894274 /nfs/dbraw/zinc/89/42/74/1427894274.db2.gz OXQGVLZIDBQQAG-KRWDZBQOSA-N 0 0 383.496 3.246 20 30 GGEDRN COc1cccc(/C=C(\C(=O)O[C@@H](C)c2ccc(C#N)cc2)n2nnnc2C)c1 ZINC000175792032 1427894359 /nfs/dbraw/zinc/89/43/59/1427894359.db2.gz LQGDKSFTEYNJLW-PVGUKEHMSA-N 0 0 389.415 3.164 20 30 GGEDRN Cc1cc(S(=O)(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(F)cc1F ZINC000175794856 1427896124 /nfs/dbraw/zinc/89/61/24/1427896124.db2.gz OTJIILVOJXTVNQ-UHFFFAOYSA-N 0 0 392.427 3.377 20 30 GGEDRN C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(C#N)cc1 ZINC000175799364 1427896942 /nfs/dbraw/zinc/89/69/42/1427896942.db2.gz YTZOOHMSZWASSV-IUODEOHRSA-N 0 0 397.362 3.263 20 30 GGEDRN CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000175809802 1427903311 /nfs/dbraw/zinc/90/33/11/1427903311.db2.gz YRYZLJNBXNOKHS-LBPRGKRZSA-N 0 0 376.434 3.018 20 30 GGEDRN C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(C#N)cc1 ZINC000175811005 1427904019 /nfs/dbraw/zinc/90/40/19/1427904019.db2.gz OGSIGKGNJYVYHP-IUODEOHRSA-N 0 0 399.428 3.437 20 30 GGEDRN Cc1csc([C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C2CC2)n1 ZINC000175822705 1427911584 /nfs/dbraw/zinc/91/15/84/1427911584.db2.gz JFQLYYVLZSTZAO-GOSISDBHSA-N 0 0 399.495 3.445 20 30 GGEDRN C[C@H]1CC[C@@H](CCC(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)O1 ZINC000175826152 1427914206 /nfs/dbraw/zinc/91/42/06/1427914206.db2.gz JCZAUQLBCJDEON-WMZOPIPTSA-N 0 0 378.476 3.103 20 30 GGEDRN C[C@@H]1CC[C@@H](CCC(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)O1 ZINC000175826131 1427914225 /nfs/dbraw/zinc/91/42/25/1427914225.db2.gz JCZAUQLBCJDEON-AEFFLSMTSA-N 0 0 378.476 3.103 20 30 GGEDRN Cc1csc(CNC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)n1 ZINC000175826914 1427914242 /nfs/dbraw/zinc/91/42/42/1427914242.db2.gz JJYKNJQVNZKEIP-UHFFFAOYSA-N 0 0 375.453 3.106 20 30 GGEDRN O=C(N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1)C(F)(F)C(F)F ZINC000175826337 1427914257 /nfs/dbraw/zinc/91/42/57/1427914257.db2.gz SSDBUBFYXYLNEG-QMMMGPOBSA-N 0 0 398.282 3.355 20 30 GGEDRN N#Cc1cc(NC(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)ccc1F ZINC000175829208 1427915563 /nfs/dbraw/zinc/91/55/63/1427915563.db2.gz ATLQPFSYJPZXOM-UHFFFAOYSA-N 0 0 394.450 3.300 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@]34CCc3ccccc34)CC2)c(F)c1 ZINC000175862729 1427939195 /nfs/dbraw/zinc/93/91/95/1427939195.db2.gz ZLOVHJOIONOPLM-CVDCTZTESA-N 0 0 375.447 3.250 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)N2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000175863872 1427940148 /nfs/dbraw/zinc/94/01/48/1427940148.db2.gz WNOWBTPFVIIXJL-OAQYLSRUSA-N 0 0 384.501 3.112 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000175864358 1427941056 /nfs/dbraw/zinc/94/10/56/1427941056.db2.gz KPNKUUCOALPXFG-HXUWFJFHSA-N 0 0 384.501 3.279 20 30 GGEDRN N#Cc1ccc(C[N@H+]2CCCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000737711706 1427941672 /nfs/dbraw/zinc/94/16/72/1427941672.db2.gz JQARGKWQCGGANC-UHFFFAOYSA-N 0 0 393.882 3.104 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175867160 1427941773 /nfs/dbraw/zinc/94/17/73/1427941773.db2.gz WYZGCUPERGBOMH-LLVKDONJSA-N 0 0 388.836 3.301 20 30 GGEDRN Cc1cnc([C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C2CC2)s1 ZINC000175869289 1427942417 /nfs/dbraw/zinc/94/24/17/1427942417.db2.gz TXMKNWDPSVKPPY-SFHVURJKSA-N 0 0 399.495 3.445 20 30 GGEDRN CC(C)c1nc(C(=O)N2CCOC[C@@H]2C#N)nn1-c1c(Cl)cccc1Cl ZINC000175878773 1427947914 /nfs/dbraw/zinc/94/79/14/1427947914.db2.gz INSASYACMJQDSW-NSHDSACASA-N 0 0 394.262 3.062 20 30 GGEDRN Cc1cnc([C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C2CC2)s1 ZINC000175881514 1427949256 /nfs/dbraw/zinc/94/92/56/1427949256.db2.gz QDWVSFYFCAMRAW-GOSISDBHSA-N 0 0 399.495 3.445 20 30 GGEDRN O=C(NCc1ccc(Cl)nc1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000175882213 1427949711 /nfs/dbraw/zinc/94/97/11/1427949711.db2.gz LSYHWQHDWJZIAV-UHFFFAOYSA-N 0 0 389.842 3.390 20 30 GGEDRN Cc1cnc([C@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C2CC2)s1 ZINC000175882737 1427949733 /nfs/dbraw/zinc/94/97/33/1427949733.db2.gz ZSEFVXYCVIPLBT-RTBURBONSA-N 0 0 395.532 3.322 20 30 GGEDRN Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000175888600 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GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000180915628 1430110713 /nfs/dbraw/zinc/11/07/13/1430110713.db2.gz YXBTVEDAZYIWKE-KRWDZBQOSA-N 0 0 393.487 3.416 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)c3ccc(C)c(O)c3)c(C#N)c2N)cc1 ZINC000180930211 1430120379 /nfs/dbraw/zinc/12/03/79/1430120379.db2.gz AIKHALXTGPMGQL-UHFFFAOYSA-N 0 0 389.459 3.011 20 30 GGEDRN CC(=O)N1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C(C)(C)C1 ZINC000180936088 1430123373 /nfs/dbraw/zinc/12/33/73/1430123373.db2.gz NWBWNAXSCIPSHX-UHFFFAOYSA-N 0 0 391.471 3.220 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000180944162 1430128054 /nfs/dbraw/zinc/12/80/54/1430128054.db2.gz WNEVBGLSBHMRHE-QGZVFWFLSA-N 0 0 385.508 3.041 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)NC(C)C)ccc1Cl ZINC000180943626 1430128149 /nfs/dbraw/zinc/12/81/49/1430128149.db2.gz JCESRZWFJOUVJX-ZDUSSCGKSA-N 0 0 379.888 3.278 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000180946245 1430128694 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C=CC1CCN(C(=O)C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)CC1 ZINC000181110234 1430214478 /nfs/dbraw/zinc/21/44/78/1430214478.db2.gz ARNRSOYZPDSLDD-UHFFFAOYSA-N 0 0 377.435 3.318 20 30 GGEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCOc2cc(N(C)C)ccc21 ZINC000181119707 1430217214 /nfs/dbraw/zinc/21/72/14/1430217214.db2.gz WIIKPKIGEPRMIE-ZDUSSCGKSA-N 0 0 396.516 3.400 20 30 GGEDRN C=CCNC(=O)CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000181125161 1430218722 /nfs/dbraw/zinc/21/87/22/1430218722.db2.gz LEAJKJDPVKBQDA-UHFFFAOYSA-N 0 0 375.812 3.432 20 30 GGEDRN CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccccc2O[C@H](C)C#N)cc1 ZINC000181132321 1430220577 /nfs/dbraw/zinc/22/05/77/1430220577.db2.gz MOBQUEWKDHJYEY-OAHLLOKOSA-N 0 0 386.473 3.341 20 30 GGEDRN N#CC1CCN(C(=O)C(=O)Nc2ccccc2Nc2ccc(F)cc2F)CC1 ZINC000181137985 1430223204 /nfs/dbraw/zinc/22/32/04/1430223204.db2.gz DKRPLGJRIBEZNS-UHFFFAOYSA-N 0 0 384.386 3.409 20 30 GGEDRN CO/N=C/c1ccc(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)cc1 ZINC000181139728 1430223581 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CC(C)S(=O)(=O)c1ccc(CC(=O)N[C@H](C#N)c2ccccc2Cl)cc1 ZINC000181187484 1430242511 /nfs/dbraw/zinc/24/25/11/1430242511.db2.gz TXQPEFIBGUFIJB-GOSISDBHSA-N 0 0 390.892 3.446 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000181191762 1430243721 /nfs/dbraw/zinc/24/37/21/1430243721.db2.gz VTGSJSLQALVXBV-FQEVSTJZSA-N 0 0 394.471 3.196 20 30 GGEDRN CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2c[nH]c(C#N)c2)cc1 ZINC000181194410 1430244969 /nfs/dbraw/zinc/24/49/69/1430244969.db2.gz YBDLOLMKJTUXBR-UHFFFAOYSA-N 0 0 377.448 3.214 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000181198184 1430245884 /nfs/dbraw/zinc/24/58/84/1430245884.db2.gz MZCXQYOVCRONCB-QGZVFWFLSA-N 0 0 380.510 3.463 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)c1 ZINC000181198203 1430245950 /nfs/dbraw/zinc/24/59/50/1430245950.db2.gz MZCXQYOVCRONCB-KRWDZBQOSA-N 0 0 380.510 3.463 20 30 GGEDRN CN(CC#N)C(=O)CCN(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000181201802 1430246744 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C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000182084547 1430408547 /nfs/dbraw/zinc/40/85/47/1430408547.db2.gz GKOKWNMJXUVFPE-IEBWSBKVSA-N 0 0 391.471 3.397 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000182085182 1430408741 /nfs/dbraw/zinc/40/87/41/1430408741.db2.gz VLNZSPCDSTYSBY-CYBMUJFWSA-N 0 0 377.360 3.324 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000182085166 1430408746 /nfs/dbraw/zinc/40/87/46/1430408746.db2.gz VLNZSPCDSTYSBY-ZDUSSCGKSA-N 0 0 377.360 3.324 20 30 GGEDRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000182086076 1430409009 /nfs/dbraw/zinc/40/90/09/1430409009.db2.gz PWWCXXFWBQHANG-APWZRJJASA-N 0 0 379.460 3.444 20 30 GGEDRN CCCc1c(NC(=O)C(=O)Nc2ccc(C#N)cc2)cnn1-c1cccc(F)c1 ZINC000182097159 1430411121 /nfs/dbraw/zinc/41/11/21/1430411121.db2.gz NKTVYRRXWKCYQT-UHFFFAOYSA-N 0 0 391.406 3.413 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)CCC(=O)N1CCc2sccc2C1 ZINC000182102099 1430412201 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20 30 GGEDRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)OCC2(C#N)CCCC2)c1 ZINC000183859072 1430805712 /nfs/dbraw/zinc/80/57/12/1430805712.db2.gz XHJWYKCQJPPFJB-MRXNPFEDSA-N 0 0 390.505 3.490 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)OCC1(C#N)CCC1 ZINC000183857680 1430805724 /nfs/dbraw/zinc/80/57/24/1430805724.db2.gz MGSUKORWNXWQOB-MRXNPFEDSA-N 0 0 390.505 3.409 20 30 GGEDRN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)OCC2(C#N)CCCC2)c1 ZINC000183859087 1430805743 /nfs/dbraw/zinc/80/57/43/1430805743.db2.gz XHJWYKCQJPPFJB-INIZCTEOSA-N 0 0 390.505 3.490 20 30 GGEDRN N#CC1(COC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)CCC1 ZINC000183863078 1430806030 /nfs/dbraw/zinc/80/60/30/1430806030.db2.gz BWUGMCYVWGWULG-UHFFFAOYSA-N 0 0 388.420 3.477 20 30 GGEDRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCC2(C#N)CCC2)cc1 ZINC000183872238 1430807200 /nfs/dbraw/zinc/80/72/00/1430807200.db2.gz UBSGUZJPCREGPX-HNNXBMFYSA-N 0 0 376.478 3.100 20 30 GGEDRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC3(C#N)CCC3)cc2)C1 ZINC000183881051 1430808317 /nfs/dbraw/zinc/80/83/17/1430808317.db2.gz CQXGGLJJMGLXPF-IYBDPMFKSA-N 0 0 390.505 3.204 20 30 GGEDRN N#CC1(COC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CCCC1 ZINC000183894734 1430809837 /nfs/dbraw/zinc/80/98/37/1430809837.db2.gz GGKMGAIWIOJKFX-UHFFFAOYSA-N 0 0 376.478 3.148 20 30 GGEDRN N#CC1(COC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CCCC1 ZINC000183896608 1430810043 /nfs/dbraw/zinc/81/00/43/1430810043.db2.gz OVPVALUISCJAMT-UHFFFAOYSA-N 0 0 390.505 3.492 20 30 GGEDRN C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000183903590 1430811094 /nfs/dbraw/zinc/81/10/94/1430811094.db2.gz ARZWJYHZWOCABT-KSFYIVLOSA-N 0 0 396.512 3.303 20 30 GGEDRN C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000183903573 1430811109 /nfs/dbraw/zinc/81/11/09/1430811109.db2.gz ARZWJYHZWOCABT-OPAMFIHVSA-N 0 0 396.512 3.303 20 30 GGEDRN CC[C@H](CC#N)NC(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)COC ZINC000183904046 1430811163 /nfs/dbraw/zinc/81/11/63/1430811163.db2.gz UXUIRMIQDXDSAE-GDBMZVCRSA-N 0 0 387.509 3.053 20 30 GGEDRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)OCC3(C#N)CCC3)cc2)c1C ZINC000183918906 1430813141 /nfs/dbraw/zinc/81/31/41/1430813141.db2.gz HWMIBCRFCPMDDV-UHFFFAOYSA-N 0 0 395.459 3.445 20 30 GGEDRN CC[C@H](CC#N)NC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 ZINC000183924899 1430813845 /nfs/dbraw/zinc/81/38/45/1430813845.db2.gz JWCIDGGQADLEBG-APWZRJJASA-N 0 0 380.448 3.387 20 30 GGEDRN CC[C@H](CC#N)NC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000183923912 1430813969 /nfs/dbraw/zinc/81/39/69/1430813969.db2.gz LVTKCTVGIWHAGC-CYBMUJFWSA-N 0 0 393.415 3.188 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000183924359 1430813980 /nfs/dbraw/zinc/81/39/80/1430813980.db2.gz PIKWRSRESFOSTP-HNNXBMFYSA-N 0 0 375.425 3.049 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000183925314 1430814163 /nfs/dbraw/zinc/81/41/63/1430814163.db2.gz PKDXQBBTGYLAMN-HNNXBMFYSA-N 0 0 389.452 3.357 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1C ZINC000183925834 1430814274 /nfs/dbraw/zinc/81/42/74/1430814274.db2.gz XOFUYWWZFBJEIY-AWEZNQCLSA-N 0 0 389.452 3.357 20 30 GGEDRN Cc1cnn(-c2ccc(C(N)=O)cc2NCc2ccc(N(C)CCC#N)cc2)c1 ZINC000183927005 1430814291 /nfs/dbraw/zinc/81/42/91/1430814291.db2.gz POOQOOSSNJMMBN-UHFFFAOYSA-N 0 0 388.475 3.242 20 30 GGEDRN CC(=O)CCc1ccc(OCC(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1 ZINC000183927072 1430814294 /nfs/dbraw/zinc/81/42/94/1430814294.db2.gz JKBSRMWGNQROND-HSZRJFAPSA-N 0 0 376.456 3.154 20 30 GGEDRN N#C[C@@]1(NC(=O)c2cc(N3CCNC3=O)ccc2Cl)CCc2ccccc2C1 ZINC000183929270 1430814379 /nfs/dbraw/zinc/81/43/79/1430814379.db2.gz XZZINQTTZBYPQG-OAQYLSRUSA-N 0 0 394.862 3.051 20 30 GGEDRN N#C[C@@]1(NC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)CCc2ccccc2C1 ZINC000183930786 1430814827 /nfs/dbraw/zinc/81/48/27/1430814827.db2.gz GBCNFNVJATVWOJ-HSZRJFAPSA-N 0 0 385.423 3.458 20 30 GGEDRN N#C[C@]1(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)CCc2ccccc2C1 ZINC000183932581 1430814961 /nfs/dbraw/zinc/81/49/61/1430814961.db2.gz HTMOIIAMOLXAEF-NRFANRHFSA-N 0 0 382.847 3.221 20 30 GGEDRN CC(C)COC(=O)N1CCC(C(=O)N[C@]2(C#N)CCc3ccccc3C2)CC1 ZINC000183949096 1430817409 /nfs/dbraw/zinc/81/74/09/1430817409.db2.gz SEFNHZRAXAIKTH-JOCHJYFZSA-N 0 0 383.492 3.058 20 30 GGEDRN CC[C@H](CC#N)NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC000183953295 1430817887 /nfs/dbraw/zinc/81/78/87/1430817887.db2.gz CXVZVEDNNUVCOZ-MRXNPFEDSA-N 0 0 377.510 3.062 20 30 GGEDRN CC[C@H](CC#N)NC(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1 ZINC000183954018 1430818159 /nfs/dbraw/zinc/81/81/59/1430818159.db2.gz SBQLAPXEDLEANE-QGZVFWFLSA-N 0 0 382.464 3.017 20 30 GGEDRN CC[C@H](CC#N)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000183955332 1430818214 /nfs/dbraw/zinc/81/82/14/1430818214.db2.gz HBMJLJRFYFTABG-MRXNPFEDSA-N 0 0 395.488 3.487 20 30 GGEDRN C=CCn1c(COc2ccccc2F)nnc1SCC(=O)[C@@H]1CCCOC1 ZINC000183955806 1430818586 /nfs/dbraw/zinc/81/85/86/1430818586.db2.gz WNDLLTQJYSDLCZ-CQSZACIVSA-N 0 0 391.468 3.270 20 30 GGEDRN N#C[C@]1(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)CCc2ccccc2C1 ZINC000183959320 1430818730 /nfs/dbraw/zinc/81/87/30/1430818730.db2.gz FKNZNZLWKAOUQK-NRFANRHFSA-N 0 0 395.846 3.205 20 30 GGEDRN N#C[C@]1(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)CCc2ccccc2C1 ZINC000183965126 1430819696 /nfs/dbraw/zinc/81/96/96/1430819696.db2.gz PJPRNJAAFYUUJM-NRFANRHFSA-N 0 0 394.862 3.051 20 30 GGEDRN COc1ccc(C(=O)N2CCN([C@H](C)c3cccc(C#N)c3)CC2)c(OC)c1 ZINC000183967322 1430820151 /nfs/dbraw/zinc/82/01/51/1430820151.db2.gz NFLBGVQBEHACDU-MRXNPFEDSA-N 0 0 379.460 3.094 20 30 GGEDRN N#CCC[C@@H](NC(=O)Nc1ccccc1CN1CCNC1=O)c1ccccc1 ZINC000183973534 1430821126 /nfs/dbraw/zinc/82/11/26/1430821126.db2.gz WANPEABYIHUKRK-GOSISDBHSA-N 0 0 377.448 3.378 20 30 GGEDRN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N[C@@]2(C#N)CCc3ccccc3C2)C1 ZINC000183978005 1430822018 /nfs/dbraw/zinc/82/20/18/1430822018.db2.gz UNUKWZGAJWOSQI-MBSDFSHPSA-N 0 0 396.535 3.022 20 30 GGEDRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N[C@@]2(C#N)CCc3ccccc3C2)C1 ZINC000183977987 1430822026 /nfs/dbraw/zinc/82/20/26/1430822026.db2.gz UNUKWZGAJWOSQI-JPYJTQIMSA-N 0 0 396.535 3.022 20 30 GGEDRN C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccc([N+](=O)[O-])cc1F ZINC000183980718 1430822564 /nfs/dbraw/zinc/82/25/64/1430822564.db2.gz SRRWFHVRRYVDND-CRAIPNDOSA-N 0 0 396.422 3.074 20 30 GGEDRN C=CCOc1ccccc1C(=O)N1CCC(Nc2cc(OCC)ncn2)CC1 ZINC000183983028 1430823217 /nfs/dbraw/zinc/82/32/17/1430823217.db2.gz NBFLNHQIJAKTJM-UHFFFAOYSA-N 0 0 382.464 3.157 20 30 GGEDRN Cc1cccc(NC(=O)CSCC(=O)N[C@]2(C#N)CCc3ccccc3C2)c1 ZINC000183992629 1430825200 /nfs/dbraw/zinc/82/52/00/1430825200.db2.gz BGGPFFNFQAQLBV-JOCHJYFZSA-N 0 0 393.512 3.234 20 30 GGEDRN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000183993209 1430825388 /nfs/dbraw/zinc/82/53/88/1430825388.db2.gz GFQSPMFFKDTXGA-ZDUSSCGKSA-N 0 0 378.457 3.117 20 30 GGEDRN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000183993773 1430825506 /nfs/dbraw/zinc/82/55/06/1430825506.db2.gz WOVKWDKPMPDUBC-LADGPHEKSA-N 0 0 387.483 3.090 20 30 GGEDRN N#C[C@]1(NC(=O)CCCNC(=O)c2ccc(F)cc2F)CCc2ccccc2C1 ZINC000183995769 1430825800 /nfs/dbraw/zinc/82/58/00/1430825800.db2.gz RLGDXSBSHZAJDX-QFIPXVFZSA-N 0 0 397.425 3.042 20 30 GGEDRN CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@]1(C#N)CCc2ccccc2C1 ZINC000183999605 1430826532 /nfs/dbraw/zinc/82/65/32/1430826532.db2.gz PKYMPGLNGALJQS-QHCPKHFHSA-N 0 0 386.455 3.452 20 30 GGEDRN CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1 ZINC000184000324 1430826606 /nfs/dbraw/zinc/82/66/06/1430826606.db2.gz HOJNZTPWENLBDP-DEOSSOPVSA-N 0 0 389.499 3.482 20 30 GGEDRN N#C[C@@]1(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)CCc2ccccc2C1 ZINC000184009779 1430828454 /nfs/dbraw/zinc/82/84/54/1430828454.db2.gz YLEJUNLCECKADV-NFDBJIOVSA-N 0 0 393.531 3.419 20 30 GGEDRN Cc1c(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)nnn1-c1ccccc1Cl ZINC000184012580 1430828669 /nfs/dbraw/zinc/82/86/69/1430828669.db2.gz KITDOCSIWDLFAG-NRFANRHFSA-N 0 0 391.862 3.410 20 30 GGEDRN CNC(=O)Cn1ccc2ccc(NC(=O)Nc3ccccc3O[C@@H](C)C#N)cc21 ZINC000184040782 1430833024 /nfs/dbraw/zinc/83/30/24/1430833024.db2.gz UGOOVDFJLLMGIO-AWEZNQCLSA-N 0 0 391.431 3.322 20 30 GGEDRN N#Cc1cccc(OCCCCC(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)c1 ZINC000184046154 1430833806 /nfs/dbraw/zinc/83/38/06/1430833806.db2.gz PSMMULVGMUEMMC-VQTJNVASSA-N 0 0 384.476 3.094 20 30 GGEDRN Cc1cn(-c2ccccc2)nc1C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000184080580 1430838659 /nfs/dbraw/zinc/83/86/59/1430838659.db2.gz RSTCZGAAINJDCM-UHFFFAOYSA-N 0 0 385.471 3.405 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000184137084 1430846335 /nfs/dbraw/zinc/84/63/35/1430846335.db2.gz JANKMFYRAPCHHR-UHFFFAOYSA-N 0 0 395.528 3.485 20 30 GGEDRN N#Cc1ccccc1Oc1ccccc1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000184164966 1430849600 /nfs/dbraw/zinc/84/96/00/1430849600.db2.gz JDSVQZGOWYGHHD-UHFFFAOYSA-N 0 0 384.395 3.450 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000184183836 1430852388 /nfs/dbraw/zinc/85/23/88/1430852388.db2.gz DFPUMIIYCWPQPR-JOCHJYFZSA-N 0 0 377.444 3.266 20 30 GGEDRN Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)NCc1ccc(C#N)cc1 ZINC000184197930 1430855161 /nfs/dbraw/zinc/85/51/61/1430855161.db2.gz BRCAWLOSBBLYIH-UHFFFAOYSA-N 0 0 376.441 3.245 20 30 GGEDRN Cc1nnc(CNC(=O)c2cccc(COc3ccccc3C#N)c2)n1C1CC1 ZINC000184228798 1430859323 /nfs/dbraw/zinc/85/93/23/1430859323.db2.gz JKSDAFQVAAMOAW-UHFFFAOYSA-N 0 0 387.443 3.302 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)c(F)c1 ZINC000184241611 1430861078 /nfs/dbraw/zinc/86/10/78/1430861078.db2.gz AIMVFHQAMRFCFI-INIZCTEOSA-N 0 0 398.818 3.252 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184242805 1430861368 /nfs/dbraw/zinc/86/13/68/1430861368.db2.gz DNAIGHNUIHLQKO-UHFFFAOYSA-N 0 0 376.434 3.121 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000184269912 1430865443 /nfs/dbraw/zinc/86/54/43/1430865443.db2.gz ZQEUZJMPIZYSAQ-UHFFFAOYSA-N 0 0 398.484 3.160 20 30 GGEDRN C=CCC[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C)c1ccccc1 ZINC000184281029 1430867160 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C#CCOc1ccccc1NCC(=O)N(CC)Cc1ccc(OC)c(OC)c1 ZINC000184625060 1430923075 /nfs/dbraw/zinc/92/30/75/1430923075.db2.gz VGDCYVCCPOJCJP-UHFFFAOYSA-N 0 0 382.460 3.176 20 30 GGEDRN C#CCOc1ccccc1NCC(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000184626543 1430923098 /nfs/dbraw/zinc/92/30/98/1430923098.db2.gz FEEYICYNGFKHJE-UHFFFAOYSA-N 0 0 379.460 3.135 20 30 GGEDRN C#CCOc1ccccc1NCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000184632289 1430924601 /nfs/dbraw/zinc/92/46/01/1430924601.db2.gz KXIRBRCIHJHRNN-HXUWFJFHSA-N 0 0 394.471 3.491 20 30 GGEDRN C#CCOc1ccccc1NCC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000184635082 1430925929 /nfs/dbraw/zinc/92/59/29/1430925929.db2.gz NHTUULMOTDYOJF-QZTJIDSGSA-N 0 0 393.487 3.363 20 30 GGEDRN Cn1c(CS(=O)(=O)Cc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 ZINC000184664882 1430935130 /nfs/dbraw/zinc/93/51/30/1430935130.db2.gz VQOMHSVCDGLJFA-UHFFFAOYSA-N 0 0 386.864 3.122 20 30 GGEDRN Cc1oc2ccc(NC(=O)C(=O)NCCOc3ccc(C#N)cc3)cc2c1C ZINC000184702973 1430946345 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C#CCOc1ccccc1NC(=O)C(=O)NCc1ccc(C)cc1OCC1CC1 ZINC000185008433 1431041294 /nfs/dbraw/zinc/04/12/94/1431041294.db2.gz GTJKBHHXZCXDAU-UHFFFAOYSA-N 0 0 392.455 3.051 20 30 GGEDRN Cn1c(Cn2cc(C#N)c(=O)c3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000185013437 1431042327 /nfs/dbraw/zinc/04/23/27/1431042327.db2.gz AEXXNWGDOBOPKE-UHFFFAOYSA-N 0 0 375.819 3.370 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000185025004 1431044008 /nfs/dbraw/zinc/04/40/08/1431044008.db2.gz DBZOPGWCYSBBJY-QGZVFWFLSA-N 0 0 391.471 3.115 20 30 GGEDRN COC(=O)[C@H](C)[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000185023594 1431044221 /nfs/dbraw/zinc/04/42/21/1431044221.db2.gz RFETXIKJBRLOKB-SJKOYZFVSA-N 0 0 392.864 3.040 20 30 GGEDRN COc1cc2c(=O)ncn(CC#Cc3ccc(OC(F)(F)F)cc3)c2cc1F ZINC000185064096 1431052627 /nfs/dbraw/zinc/05/26/27/1431052627.db2.gz LHIPXVGROWMOBB-UHFFFAOYSA-N 0 0 392.308 3.495 20 30 GGEDRN C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000185064771 1431052631 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GGEDRN Cn1nc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1OC(F)F ZINC000185140289 1431070828 /nfs/dbraw/zinc/07/08/28/1431070828.db2.gz SOWVHMKROSDHSU-UHFFFAOYSA-N 0 0 389.387 3.193 20 30 GGEDRN N#C[C@@]1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CCc2ccccc2C1 ZINC000185145731 1431072139 /nfs/dbraw/zinc/07/21/39/1431072139.db2.gz LAPXKBFYRULVDJ-QGZVFWFLSA-N 0 0 380.391 3.435 20 30 GGEDRN N#C[C@@]1(NS(=O)(=O)c2ccccc2C(F)(F)F)CCc2ccccc2C1 ZINC000185149765 1431072855 /nfs/dbraw/zinc/07/28/55/1431072855.db2.gz LAKLPEWUGCBVDX-QGZVFWFLSA-N 0 0 380.391 3.435 20 30 GGEDRN C=C(C)[C@H](NC(=O)NCc1c(CC)nn(C)c1OC)c1ccc(F)c(F)c1 ZINC000185148743 1431072899 /nfs/dbraw/zinc/07/28/99/1431072899.db2.gz BFYKPZJAPBDIJI-KRWDZBQOSA-N 0 0 378.423 3.386 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)NCC2(CCOCc3ccccc3)CC2)c1 ZINC000185186025 1431080152 /nfs/dbraw/zinc/08/01/52/1431080152.db2.gz CNCJVISWQPIPEF-UHFFFAOYSA-N 0 0 384.501 3.365 20 30 GGEDRN CC#CCCCC(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000185193895 1431081783 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/nfs/dbraw/zinc/11/56/52/1431115652.db2.gz BIEGWWXOHURQCT-INIZCTEOSA-N 0 0 392.908 3.292 20 30 GGEDRN C#C[C@H](C)NC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC000185331769 1431116982 /nfs/dbraw/zinc/11/69/82/1431116982.db2.gz ZBOAOEQMNRCZAE-INIZCTEOSA-N 0 0 392.484 3.076 20 30 GGEDRN C#C[C@@H](C)NC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC000185331789 1431117052 /nfs/dbraw/zinc/11/70/52/1431117052.db2.gz ZBOAOEQMNRCZAE-MRXNPFEDSA-N 0 0 392.484 3.076 20 30 GGEDRN C#C[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1OC ZINC000185334392 1431117927 /nfs/dbraw/zinc/11/79/27/1431117927.db2.gz CSSUFFIZFTZJPM-OAHLLOKOSA-N 0 0 375.428 3.308 20 30 GGEDRN C#C[C@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1OC ZINC000185334371 1431117971 /nfs/dbraw/zinc/11/79/71/1431117971.db2.gz CSSUFFIZFTZJPM-HNNXBMFYSA-N 0 0 375.428 3.308 20 30 GGEDRN N#CCCn1ccc(NC(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)n1 ZINC000185346493 1431121543 /nfs/dbraw/zinc/12/15/43/1431121543.db2.gz LSSASXZADSJUJY-UHFFFAOYSA-N 0 0 393.278 3.458 20 30 GGEDRN CCN(C[C@@H]1CCN(C(=O)NCc2ccc(OCC#N)cc2)C1)CC(F)(F)F ZINC000185351140 1431123272 /nfs/dbraw/zinc/12/32/72/1431123272.db2.gz RUZRAROYGSYYBF-INIZCTEOSA-N 0 0 398.429 3.005 20 30 GGEDRN N#C[C@@H]1CN(C(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)CCO1 ZINC000185361353 1431126401 /nfs/dbraw/zinc/12/64/01/1431126401.db2.gz FRFQXNQMFRUDAO-HUUCEWRRSA-N 0 0 386.452 3.261 20 30 GGEDRN C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1nc(Cc2ccccc2)no1 ZINC000185366965 1431126905 /nfs/dbraw/zinc/12/69/05/1431126905.db2.gz AJIMXYWHEYMGFB-OAHLLOKOSA-N 0 0 375.432 3.211 20 30 GGEDRN C[C@@H](N[C@H](C)c1nc(Cc2ccccc2)no1)C(=O)Nc1ccccc1C#N ZINC000185363508 1431127032 /nfs/dbraw/zinc/12/70/32/1431127032.db2.gz DSLRRNWWWGKHFU-HUUCEWRRSA-N 0 0 375.432 3.210 20 30 GGEDRN C#C[C@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000185372291 1431128557 /nfs/dbraw/zinc/12/85/57/1431128557.db2.gz LBVFCUWLDWOXOA-HNNXBMFYSA-N 0 0 375.428 3.308 20 30 GGEDRN N#Cc1cc(Cl)ccc1COc1cccc(NC(=O)CN2CCCC2=O)c1 ZINC000185374044 1431128914 /nfs/dbraw/zinc/12/89/14/1431128914.db2.gz XCHOGOMIVIAQEJ-UHFFFAOYSA-N 0 0 383.835 3.352 20 30 GGEDRN C#CCC(C)(C)C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000185376066 1431129410 /nfs/dbraw/zinc/12/94/10/1431129410.db2.gz RIENTLSSKXJQMA-KRWDZBQOSA-N 0 0 382.426 3.244 20 30 GGEDRN Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2nc(Cc3ccccc3)no2)c(C#N)c1C ZINC000185381809 1431131280 /nfs/dbraw/zinc/13/12/80/1431131280.db2.gz QVLLUDLFZPLDIU-UONOGXRCSA-N 0 0 393.447 3.420 20 30 GGEDRN C#CCC(C)(C)C(=O)Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000185383106 1431131699 /nfs/dbraw/zinc/13/16/99/1431131699.db2.gz SIYIBDDKQOXRFF-UHFFFAOYSA-N 0 0 375.428 3.274 20 30 GGEDRN C[C@H](NCCC(=O)Nc1sccc1C#N)c1nc(Cc2ccccc2)no1 ZINC000185391779 1431134435 /nfs/dbraw/zinc/13/44/35/1431134435.db2.gz XSLXHCYMMLFWQW-ZDUSSCGKSA-N 0 0 381.461 3.273 20 30 GGEDRN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1nc(Cc2ccccc2)no1 ZINC000185396326 1431136046 /nfs/dbraw/zinc/13/60/46/1431136046.db2.gz JTHHBVXTMRZWDO-CYBMUJFWSA-N 0 0 395.850 3.475 20 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C=CCCS(=O)(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OC)c1 ZINC000186274659 1431368936 /nfs/dbraw/zinc/36/89/36/1431368936.db2.gz LTDBUQRZKKVZKL-HXUWFJFHSA-N 0 0 375.490 3.137 20 30 GGEDRN CCc1ccccc1S(=O)(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000186275360 1431369052 /nfs/dbraw/zinc/36/90/52/1431369052.db2.gz MMNFMDLZZLTSQP-UHFFFAOYSA-N 0 0 383.517 3.017 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1cnn(Cc2ccccn2)c1 ZINC000186282542 1431371187 /nfs/dbraw/zinc/37/11/87/1431371187.db2.gz JPRMCSGIYWOJJX-MRXNPFEDSA-N 0 0 381.505 3.403 20 30 GGEDRN CCOc1ccc(NC(=O)CN2CCN([C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000186289894 1431372858 /nfs/dbraw/zinc/37/28/58/1431372858.db2.gz ZYUGQCMNBBVTLI-SFHVURJKSA-N 0 0 392.503 3.274 20 30 GGEDRN CCCC(=O)Nc1ccc(CNS(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000186290340 1431372962 /nfs/dbraw/zinc/37/29/62/1431372962.db2.gz HGSIWEHGXQJNNI-UHFFFAOYSA-N 0 0 391.880 3.429 20 30 GGEDRN CCOc1ccc(NC(=O)CN2CCN([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000186289917 1431372968 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3.122 20 30 GGEDRN C[C@@H](C1CC1)n1cc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)cn1 ZINC000189699769 1432208330 /nfs/dbraw/zinc/20/83/30/1432208330.db2.gz BYOALDMONGHLBA-INIZCTEOSA-N 0 0 378.480 3.470 20 30 GGEDRN CCN(Cc1ccccn1)C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000189719010 1432213563 /nfs/dbraw/zinc/21/35/63/1432213563.db2.gz KJMLJSMGTMRUAK-UHFFFAOYSA-N 0 0 383.451 3.469 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)n1 ZINC000189720589 1432213821 /nfs/dbraw/zinc/21/38/21/1432213821.db2.gz ZIPVGEDWGJZQDH-JTQLQIEISA-N 0 0 394.262 3.458 20 30 GGEDRN Cc1ccccc1C[C@@H](CO)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000189746151 1432222563 /nfs/dbraw/zinc/22/25/63/1432222563.db2.gz NUDDJEZYXVFAMN-IBGZPJMESA-N 0 0 390.405 3.268 20 30 GGEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CC[C@@H](C)[C@@H]3CO)c2)c1 ZINC000189762028 1432227889 /nfs/dbraw/zinc/22/78/89/1432227889.db2.gz JFCZVIQTEDVDHU-IERDGZPVSA-N 0 0 392.455 3.108 20 30 GGEDRN CCN(C[C@H](O)C(F)(F)F)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000189765207 1432229033 /nfs/dbraw/zinc/22/90/33/1432229033.db2.gz QCELJGVBGXRZAK-HNNXBMFYSA-N 0 0 382.338 3.116 20 30 GGEDRN C[C@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@H]1CO ZINC000189799938 1432238905 /nfs/dbraw/zinc/23/89/05/1432238905.db2.gz FOPQDFDMFCXRMB-LIRRHRJNSA-N 0 0 378.432 3.045 20 30 GGEDRN C[C@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@@H]1CO ZINC000189799899 1432238947 /nfs/dbraw/zinc/23/89/47/1432238947.db2.gz FOPQDFDMFCXRMB-IFXJQAMLSA-N 0 0 378.432 3.045 20 30 GGEDRN C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@@H]1CO ZINC000189799876 1432239123 /nfs/dbraw/zinc/23/91/23/1432239123.db2.gz FOPQDFDMFCXRMB-AUUYWEPGSA-N 0 0 378.432 3.045 20 30 GGEDRN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C)c1cccc(C#N)c1 ZINC000189806413 1432240194 /nfs/dbraw/zinc/24/01/94/1432240194.db2.gz JMYWQKYOMOCIDD-LBPRGKRZSA-N 0 0 386.502 3.429 20 30 GGEDRN C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000189817611 1432243682 /nfs/dbraw/zinc/24/36/82/1432243682.db2.gz OTVDNOAIVFENNB-UGSOOPFHSA-N 0 0 383.835 3.139 20 30 GGEDRN C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000189819752 1432244907 /nfs/dbraw/zinc/24/49/07/1432244907.db2.gz DAETWPLLVIXBBP-SCLBCKFNSA-N 0 0 383.835 3.139 20 30 GGEDRN C=C[C@@](C)(CC)C(=O)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1 ZINC000189833191 1432248337 /nfs/dbraw/zinc/24/83/37/1432248337.db2.gz GGUCTCBMUVIWCE-IBGZPJMESA-N 0 0 377.510 3.478 20 30 GGEDRN CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N)Cc1ccccc1 ZINC000189848840 1432252851 /nfs/dbraw/zinc/25/28/51/1432252851.db2.gz CREMCQWHZDIBAJ-QGZVFWFLSA-N 0 0 397.450 3.298 20 30 GGEDRN Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)c3cc(C#N)cs3)c12 ZINC000189864524 1432257158 /nfs/dbraw/zinc/25/71/58/1432257158.db2.gz DSRPTRVCXLHXFS-AWEZNQCLSA-N 0 0 381.461 3.413 20 30 GGEDRN CC#CCNC(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 ZINC000189874234 1432259226 /nfs/dbraw/zinc/25/92/26/1432259226.db2.gz FGBQKZHGKGICRK-CQSZACIVSA-N 0 0 387.871 3.498 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1 ZINC000189876590 1432260195 /nfs/dbraw/zinc/26/01/95/1432260195.db2.gz VEKGCKIQVVZHAR-RKVPGOIHSA-N 0 0 384.480 3.112 20 30 GGEDRN CCn1c(NC(=O)CCOCC(F)(F)C(F)(F)F)nc2cc(C#N)ccc21 ZINC000189880418 1432261065 /nfs/dbraw/zinc/26/10/65/1432261065.db2.gz SZOSNFGARHAJST-UHFFFAOYSA-N 0 0 390.312 3.471 20 30 GGEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1cccnc1OCC(F)F ZINC000189882398 1432261918 /nfs/dbraw/zinc/26/19/18/1432261918.db2.gz VCRXIAIYKUERFC-UHFFFAOYSA-N 0 0 384.304 3.412 20 30 GGEDRN C=CCC[C@@H](C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21)c1ccccc1 ZINC000189882394 1432262340 /nfs/dbraw/zinc/26/23/40/1432262340.db2.gz JICGHIIBHIXGRR-LJQANCHMSA-N 0 0 384.501 3.234 20 30 GGEDRN C=CCCN(OCc1ccccc1)C(=O)CCc1c(C)nc2ncnn2c1C ZINC000189893512 1432265663 /nfs/dbraw/zinc/26/56/63/1432265663.db2.gz XGNHJPBPOYLLCJ-UHFFFAOYSA-N 0 0 379.464 3.210 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189908289 1432269710 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GGEDRN C=CC[C@H](C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000189945958 1432285048 /nfs/dbraw/zinc/28/50/48/1432285048.db2.gz XRCLRZALKYYENR-FQEVSTJZSA-N 0 0 386.517 3.092 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N(CCCO)[C@H]2CCc3ccccc32)cc1Cl ZINC000189949129 1432286441 /nfs/dbraw/zinc/28/64/41/1432286441.db2.gz MPEZBPDCNKJYPK-IBGZPJMESA-N 0 0 397.862 3.049 20 30 GGEDRN CN(CC(C)(C)O)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000189970233 1432293434 /nfs/dbraw/zinc/29/34/34/1432293434.db2.gz IKUYMROSKZSWIG-KRWDZBQOSA-N 0 0 399.878 3.163 20 30 GGEDRN COC[C@H](NC(=O)CCOCC(F)(F)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000189982853 1432298575 /nfs/dbraw/zinc/29/85/75/1432298575.db2.gz GPXIURNXGWMVHN-LBPRGKRZSA-N 0 0 391.283 3.373 20 30 GGEDRN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(C#N)c(O)c1 ZINC000190035848 1432308583 /nfs/dbraw/zinc/30/85/83/1432308583.db2.gz ONGLLBCLSBVOFB-UHFFFAOYSA-N 0 0 396.834 3.206 20 30 GGEDRN CC(C)(C)[C@H](NC(=O)CON=C(N)Cn1cnc2ccccc21)c1cccs1 ZINC000190044615 1432309948 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CC(C)CN(C(=O)CS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C(C)C ZINC000191723887 1432712875 /nfs/dbraw/zinc/71/28/75/1432712875.db2.gz NMIDGPMXOBTHSD-UHFFFAOYSA-N 0 0 390.427 3.244 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)CC(=O)NCC2CCCCC2)cc1C(F)(F)F ZINC000191726801 1432713474 /nfs/dbraw/zinc/71/34/74/1432713474.db2.gz JVOPZNKWUCQSCP-UHFFFAOYSA-N 0 0 388.411 3.047 20 30 GGEDRN CN(C)C(=O)c1cccc(CS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000191729131 1432713482 /nfs/dbraw/zinc/71/34/82/1432713482.db2.gz RVXIXAOQUFYQOS-UHFFFAOYSA-N 0 0 396.390 3.253 20 30 GGEDRN CC1CCC(NC(=O)CS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000191727388 1432713500 /nfs/dbraw/zinc/71/35/00/1432713500.db2.gz BLUNNKXHWDQUKC-UHFFFAOYSA-N 0 0 388.411 3.046 20 30 GGEDRN C[C@H](C(=O)N1CCCCCC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000191726353 1432713549 /nfs/dbraw/zinc/71/35/49/1432713549.db2.gz VCPRMOWSAJOAKG-GFCCVEGCSA-N 0 0 388.411 3.142 20 30 GGEDRN CC[C@H]1CCCCN1C(=O)CS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000191730203 1432713891 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ZINC000191893073 1432749059 /nfs/dbraw/zinc/74/90/59/1432749059.db2.gz ZBFUTXSCKOSQQG-UHFFFAOYSA-N 0 0 380.467 3.071 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191897680 1432750434 /nfs/dbraw/zinc/75/04/34/1432750434.db2.gz XARGPJUSYWCWLR-UHFFFAOYSA-N 0 0 385.445 3.460 20 30 GGEDRN CCOC(=O)c1oc2ccc(S(=O)(=O)N(CC)C[C@@H](C)C#N)cc2c1C ZINC000191911496 1432753447 /nfs/dbraw/zinc/75/34/47/1432753447.db2.gz NLSGZLLOHVBMHD-LBPRGKRZSA-N 0 0 378.450 3.088 20 30 GGEDRN CCOc1cc(CN2CC(O)(CC#N)C2)ccc1OCCOc1cccc(C)c1 ZINC000191920013 1432756048 /nfs/dbraw/zinc/75/60/48/1432756048.db2.gz VVHPNGNZSFAIND-UHFFFAOYSA-N 0 0 396.487 3.312 20 30 GGEDRN C=CCN(CCOC)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000191923596 1432757164 /nfs/dbraw/zinc/75/71/64/1432757164.db2.gz UOIDQIPRZWOBJD-UHFFFAOYSA-N 0 0 387.402 3.208 20 30 GGEDRN Cc1cccc(C[C@H](CO)NC(=O)NCCSCc2ccccc2C#N)c1 ZINC000191928126 1432757459 /nfs/dbraw/zinc/75/74/59/1432757459.db2.gz RYPHTZGONFDMML-HXUWFJFHSA-N 0 0 383.517 3.003 20 30 GGEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H](O)c1ccccc1OC ZINC000191928041 1432757553 /nfs/dbraw/zinc/75/75/53/1432757553.db2.gz VGEHPKHGWUTUQR-LJQANCHMSA-N 0 0 396.487 3.335 20 30 GGEDRN Cc1ccccc1C[C@H](CO)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000191933239 1432759145 /nfs/dbraw/zinc/75/91/45/1432759145.db2.gz CIUWIYDCNZDIAG-OAHLLOKOSA-N 0 0 375.375 3.193 20 30 GGEDRN Cc1ccccc1C[C@@H](CO)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000191933231 1432759259 /nfs/dbraw/zinc/75/92/59/1432759259.db2.gz CIUWIYDCNZDIAG-HNNXBMFYSA-N 0 0 375.375 3.193 20 30 GGEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H](O)c1cccc(OC)c1 ZINC000191955333 1432766859 /nfs/dbraw/zinc/76/68/59/1432766859.db2.gz MMZMBCSBHBJSIY-FQEVSTJZSA-N 0 0 396.487 3.335 20 30 GGEDRN C=CCN(CCOC)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000191958954 1432767292 /nfs/dbraw/zinc/76/72/92/1432767292.db2.gz OTSMZQZFFUWSFF-UHFFFAOYSA-N 0 0 388.777 3.214 20 30 GGEDRN C=CCN(CCOC)C(=O)c1cccc(NC(=O)c2ccc3[nH]cnc3c2)c1 ZINC000191958479 1432767348 /nfs/dbraw/zinc/76/73/48/1432767348.db2.gz LXSRVECEVFAIBC-UHFFFAOYSA-N 0 0 378.432 3.090 20 30 GGEDRN C=CCN(CCOC)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000191960367 1432767743 /nfs/dbraw/zinc/76/77/43/1432767743.db2.gz IBRKAKWCRVDGBH-UHFFFAOYSA-N 0 0 388.489 3.070 20 30 GGEDRN CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(C#N)c(F)c1 ZINC000191973478 1432772095 /nfs/dbraw/zinc/77/20/95/1432772095.db2.gz AYDZSNPBCBOOOW-UHFFFAOYSA-N 0 0 376.453 3.002 20 30 GGEDRN N#Cc1cnc2ccccc2c1N1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000191975889 1432772682 /nfs/dbraw/zinc/77/26/82/1432772682.db2.gz IQNWIZHQKXQVKN-JOCHJYFZSA-N 0 0 397.482 3.182 20 30 GGEDRN C=CCN(CCOC)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000191980857 1432774181 /nfs/dbraw/zinc/77/41/81/1432774181.db2.gz QGUWHKFLNULQQA-UHFFFAOYSA-N 0 0 399.234 3.362 20 30 GGEDRN O=C(Nc1ccc(O)c(C(=O)NCC(F)(F)C(F)F)c1)OCC(F)(F)F ZINC000192026841 1432781449 /nfs/dbraw/zinc/78/14/49/1432781449.db2.gz KKUYSCNVBQMVSU-UHFFFAOYSA-N 0 0 392.227 3.133 20 30 GGEDRN C#CCCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 ZINC000192051182 1432787793 /nfs/dbraw/zinc/78/77/93/1432787793.db2.gz OGUYYNQCQOYMLZ-UHFFFAOYSA-N 0 0 391.537 3.059 20 30 GGEDRN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000192057034 1432789564 /nfs/dbraw/zinc/78/95/64/1432789564.db2.gz FJSRJKFRVGWLBF-UHFFFAOYSA-N 0 0 396.205 3.268 20 30 GGEDRN COc1cccc(NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1[N+](=O)[O-] ZINC000192061130 1432790223 /nfs/dbraw/zinc/79/02/23/1432790223.db2.gz NVDXMIRVTDANES-UHFFFAOYSA-N 0 0 392.419 3.288 20 30 GGEDRN C#CCCCC(=O)Oc1ccc(N(C)S(=O)(=O)c2ccccc2F)cc1 ZINC000192062239 1432790787 /nfs/dbraw/zinc/79/07/87/1432790787.db2.gz ISRQLKHXXWSGNI-UHFFFAOYSA-N 0 0 375.421 3.360 20 30 GGEDRN C[C@H](Cc1ccccc1Cl)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192118825 1432800984 /nfs/dbraw/zinc/80/09/84/1432800984.db2.gz ZKDHVYHZAGLRGG-QRWLVFNGSA-N 0 0 395.890 3.308 20 30 GGEDRN CC(C)(C)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000192119483 1432801047 /nfs/dbraw/zinc/80/10/47/1432801047.db2.gz PADBOZYJHHIBEU-HXUWFJFHSA-N 0 0 375.472 3.387 20 30 GGEDRN Cc1ccccc1[C@H](C)CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192120504 1432801162 /nfs/dbraw/zinc/80/11/62/1432801162.db2.gz WBSDNFQURFAMCE-DYESRHJHSA-N 0 0 375.472 3.278 20 30 GGEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)/C=C/Sc3ccccc3)C2=O)cc1 ZINC000192121470 1432801388 /nfs/dbraw/zinc/80/13/88/1432801388.db2.gz OKVVOZCPLNYOSM-XSSIKURBSA-N 0 0 377.469 3.081 20 30 GGEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)Cc3cccc4ccccc43)C2=O)cc1 ZINC000192121263 1432801472 /nfs/dbraw/zinc/80/14/72/1432801472.db2.gz FHUKXZQODIQWNE-JOCHJYFZSA-N 0 0 383.451 3.171 20 30 GGEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)/C=C/c3ccc(Cl)s3)C2=O)cc1 ZINC000192123054 1432801625 /nfs/dbraw/zinc/80/16/25/1432801625.db2.gz IRFZELCNZKVICV-IQIBNGDESA-N 0 0 385.876 3.204 20 30 GGEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)c3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000192123282 1432801631 /nfs/dbraw/zinc/80/16/31/1432801631.db2.gz HPQJOZWFEHDCRH-KRWDZBQOSA-N 0 0 388.254 3.396 20 30 GGEDRN CC(C)=CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 ZINC000192122649 1432801664 /nfs/dbraw/zinc/80/16/64/1432801664.db2.gz FAOBZPVVZGMMEV-RELWKKBWSA-N 0 0 392.525 3.367 20 30 GGEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)/C=C/c3ccc(Cl)s3)C2=O)cc1 ZINC000192123048 1432801669 /nfs/dbraw/zinc/80/16/69/1432801669.db2.gz IRFZELCNZKVICV-BVBGJJFLSA-N 0 0 385.876 3.204 20 30 GGEDRN C=CCn1c(SCc2nnnn2CC(F)(F)F)nnc1-c1cccc(C)c1 ZINC000192122575 1432801677 /nfs/dbraw/zinc/80/16/77/1432801677.db2.gz ZGZQXDRDFHKVEK-UHFFFAOYSA-N 0 0 395.414 3.281 20 30 GGEDRN CCCCc1ccc(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000192125368 1432802103 /nfs/dbraw/zinc/80/21/03/1432802103.db2.gz GZRKKOHEYXQDTA-JOCHJYFZSA-N 0 0 389.499 3.361 20 30 GGEDRN C[C@@H](CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1F ZINC000192126699 1432802370 /nfs/dbraw/zinc/80/23/70/1432802370.db2.gz GIPRUAXWXJQOSG-YWZLYKJASA-N 0 0 379.435 3.108 20 30 GGEDRN CSc1ccc(C)c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000192126253 1432802392 /nfs/dbraw/zinc/80/23/92/1432802392.db2.gz IZHBJTYHUSJHKE-IBGZPJMESA-N 0 0 379.485 3.120 20 30 GGEDRN C[C@H](CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1F ZINC000192126705 1432802492 /nfs/dbraw/zinc/80/24/92/1432802492.db2.gz GIPRUAXWXJQOSG-QRWLVFNGSA-N 0 0 379.435 3.108 20 30 GGEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cc4c(s3)CCCC4)C2=O)cc1 ZINC000192127866 1432802716 /nfs/dbraw/zinc/80/27/16/1432802716.db2.gz SVLSLGMTWCIAQJ-QGZVFWFLSA-N 0 0 379.485 3.029 20 30 GGEDRN C[C@H](CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)Cc1cccc(F)c1 ZINC000192129394 1432802902 /nfs/dbraw/zinc/80/29/02/1432802902.db2.gz MMEYOMBRZIURHG-KKSFZXQISA-N 0 0 393.462 3.183 20 30 GGEDRN C[C@H](CCc1ccccc1F)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192129228 1432802962 /nfs/dbraw/zinc/80/29/62/1432802962.db2.gz DDOKPZQXTWXOIJ-IIBYNOLFSA-N 0 0 393.462 3.183 20 30 GGEDRN C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)Cc1cccc(F)c1 ZINC000192129382 1432803031 /nfs/dbraw/zinc/80/30/31/1432803031.db2.gz MMEYOMBRZIURHG-HRAATJIYSA-N 0 0 393.462 3.183 20 30 GGEDRN C[C@@H]1CCc2c(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)csc2C1 ZINC000192130076 1432803267 /nfs/dbraw/zinc/80/32/67/1432803267.db2.gz XEYPQUJIUQZUNO-KUHUBIRLSA-N 0 0 393.512 3.275 20 30 GGEDRN CCC[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000192130346 1432803324 /nfs/dbraw/zinc/80/33/24/1432803324.db2.gz NAUHNJZXGFGGGM-LEWJYISDSA-N 0 0 375.472 3.359 20 30 GGEDRN C[C@H]1CCc2sc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2C1 ZINC000192130853 1432803501 /nfs/dbraw/zinc/80/35/01/1432803501.db2.gz MHAGZWANDLPKFA-KSSFIOAISA-N 0 0 393.512 3.275 20 30 GGEDRN C[C@H]1CCc2sc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2C1 ZINC000192130842 1432803582 /nfs/dbraw/zinc/80/35/82/1432803582.db2.gz MHAGZWANDLPKFA-KBXCAEBGSA-N 0 0 393.512 3.275 20 30 GGEDRN Cc1cc(C)cc(CCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000192133330 1432804099 /nfs/dbraw/zinc/80/40/99/1432804099.db2.gz GAQMEZKOZDMIBJ-NRFANRHFSA-N 0 0 375.472 3.025 20 30 GGEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)CCc3cc(Cl)cs3)C2=O)cc1 ZINC000192135924 1432804470 /nfs/dbraw/zinc/80/44/70/1432804470.db2.gz BDAJVDGIWOCSSF-KRWDZBQOSA-N 0 0 387.892 3.123 20 30 GGEDRN C[C@H](CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1F ZINC000192136642 1432804683 /nfs/dbraw/zinc/80/46/83/1432804683.db2.gz WMBFVJTWIAWNGD-VLIAUNLRSA-N 0 0 397.425 3.247 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N2CCC(c3ccncc3)CC2)c1 ZINC000192144761 1432806580 /nfs/dbraw/zinc/80/65/80/1432806580.db2.gz LDBVSQAQDGOKTJ-UHFFFAOYSA-N 0 0 379.460 3.381 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)C(=O)N2CCC(c3ccncc3)CC2)cc1C#N ZINC000192148374 1432807941 /nfs/dbraw/zinc/80/79/41/1432807941.db2.gz XQHHSLMAOAKZLG-UHFFFAOYSA-N 0 0 392.459 3.085 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)c2ccncc2C(F)(F)F)CC1 ZINC000192156828 1432809269 /nfs/dbraw/zinc/80/92/69/1432809269.db2.gz SQOSZKZHFUHKLH-UHFFFAOYSA-N 0 0 378.329 3.074 20 30 GGEDRN CSc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000192165429 1432810462 /nfs/dbraw/zinc/81/04/62/1432810462.db2.gz CVYOEWQSOYNAEK-GOSISDBHSA-N 0 0 380.473 3.203 20 30 GGEDRN CCc1cccc(C)c1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192165392 1432810623 /nfs/dbraw/zinc/81/06/23/1432810623.db2.gz GXEMGYQAPYWSPD-IBGZPJMESA-N 0 0 376.460 3.352 20 30 GGEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000192167467 1432810898 /nfs/dbraw/zinc/81/08/98/1432810898.db2.gz WVVXVZCHLNOHMF-KRWDZBQOSA-N 0 0 386.814 3.273 20 30 GGEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)Nc3cc(Cl)ccc3F)C2=O)cc1 ZINC000192175428 1432812283 /nfs/dbraw/zinc/81/22/83/1432812283.db2.gz MQPQPRWVEJRAGH-MRXNPFEDSA-N 0 0 386.814 3.273 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1nccn1-c1ccccc1 ZINC000192178615 1432812749 /nfs/dbraw/zinc/81/27/49/1432812749.db2.gz RDGZGMOKMKVZGD-UHFFFAOYSA-N 0 0 377.448 3.275 20 30 GGEDRN CCCc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192189883 1432813943 /nfs/dbraw/zinc/81/39/43/1432813943.db2.gz PYLFPSIYODRGIW-FQEVSTJZSA-N 0 0 376.460 3.433 20 30 GGEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)C(=O)N(C)C ZINC000192200821 1432815050 /nfs/dbraw/zinc/81/50/50/1432815050.db2.gz UODFXNULUHXHFM-HNNXBMFYSA-N 0 0 380.448 3.044 20 30 GGEDRN CC(C)Oc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192202081 1432815370 /nfs/dbraw/zinc/81/53/70/1432815370.db2.gz CSDDOZOGOUYVHT-IBGZPJMESA-N 0 0 392.459 3.268 20 30 GGEDRN CCOc1cc(F)ccc1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192203659 1432815666 /nfs/dbraw/zinc/81/56/66/1432815666.db2.gz PQBOKKKREWBRKU-SFHVURJKSA-N 0 0 396.422 3.019 20 30 GGEDRN CCOc1cc(C)ccc1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192204169 1432815680 /nfs/dbraw/zinc/81/56/80/1432815680.db2.gz CDGYAWRFTSGESL-IBGZPJMESA-N 0 0 392.459 3.188 20 30 GGEDRN N#Cc1cc(NC(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)ccc1F ZINC000192204732 1432815789 /nfs/dbraw/zinc/81/57/89/1432815789.db2.gz PZLXXCVKZSDQAZ-UHFFFAOYSA-N 0 0 376.395 3.470 20 30 GGEDRN CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192203652 1432815793 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GGEDRN C=C(Br)CNC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000195358666 1433322726 /nfs/dbraw/zinc/32/27/26/1433322726.db2.gz QCUAXWDGRHEUKZ-UHFFFAOYSA-N 0 0 381.661 3.437 20 30 GGEDRN CCC[C@@H](CC)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000195366417 1433323189 /nfs/dbraw/zinc/32/31/89/1433323189.db2.gz DRXRDVLQOPPOCX-LQFHHUIYSA-N 0 0 380.514 3.200 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000195368596 1433323415 /nfs/dbraw/zinc/32/34/15/1433323415.db2.gz CKASNTVINPBOES-UHFFFAOYSA-N 0 0 377.448 3.365 20 30 GGEDRN N#CCOc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000195375132 1433323925 /nfs/dbraw/zinc/32/39/25/1433323925.db2.gz BTZKZNNFBVSLMG-UHFFFAOYSA-N 0 0 386.411 3.166 20 30 GGEDRN CCC[C@H](CC)NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N ZINC000195394559 1433325389 /nfs/dbraw/zinc/32/53/89/1433325389.db2.gz ZEVAQDAXDWLNTE-HNNXBMFYSA-N 0 0 386.475 3.276 20 30 GGEDRN N#Cc1cnc2ccccc2c1N1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000195415111 1433327188 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GGEDRN N#C[C@@H](NC(=O)C[C@H]1OC(=O)c2ccccc21)c1cccc(Br)c1 ZINC000195456449 1433332054 /nfs/dbraw/zinc/33/20/54/1433332054.db2.gz QMNBOGHHQRHJBP-HZPDHXFCSA-N 0 0 385.217 3.432 20 30 GGEDRN C=C(C)[C@H](NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000195459059 1433332538 /nfs/dbraw/zinc/33/25/38/1433332538.db2.gz CUICESUKRYXHET-SFHVURJKSA-N 0 0 394.443 3.262 20 30 GGEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000195470424 1433334045 /nfs/dbraw/zinc/33/40/45/1433334045.db2.gz QARUJQARBFVWPJ-HXUWFJFHSA-N 0 0 375.432 3.240 20 30 GGEDRN C#CC(C)(C)N(C)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000195472367 1433334179 /nfs/dbraw/zinc/33/41/79/1433334179.db2.gz PYEYNQRWAXTRNO-OAHLLOKOSA-N 0 0 385.913 3.320 20 30 GGEDRN C#CC(C)(C)N(C)S(=O)(=O)c1ccc(Br)cc1Br ZINC000195472419 1433334226 /nfs/dbraw/zinc/33/42/26/1433334226.db2.gz XCZGHHNDZUCDDI-UHFFFAOYSA-N 0 0 395.116 3.244 20 30 GGEDRN CCCN(CC)c1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cn1 ZINC000195474967 1433334657 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GGEDRN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C/c1ccccc1C#N ZINC000195498904 1433337016 /nfs/dbraw/zinc/33/70/16/1433337016.db2.gz RRYAQOQCXYMPLU-MDWZMJQESA-N 0 0 390.443 3.017 20 30 GGEDRN Cc1cc(C)cc(OCCC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000195541558 1433339038 /nfs/dbraw/zinc/33/90/38/1433339038.db2.gz VXDDVGSARBWIKA-QFIPXVFZSA-N 0 0 377.488 3.481 20 30 GGEDRN COc1ccc(CC(N)=NOCc2cc(Br)ccc2OC)cc1 ZINC000195594116 1433340668 /nfs/dbraw/zinc/34/06/68/1433340668.db2.gz RPGVVWOVYAQQIX-UHFFFAOYSA-N 0 0 379.254 3.498 20 30 GGEDRN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CCCOc2cccc(C#N)c2)C1=O ZINC000195596044 1433340888 /nfs/dbraw/zinc/34/08/88/1433340888.db2.gz ZBWXCOLWBNBZPO-OAQYLSRUSA-N 0 0 381.407 3.324 20 30 GGEDRN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCCOc2cccc(C#N)c2)C1=O ZINC000195596042 1433340997 /nfs/dbraw/zinc/34/09/97/1433340997.db2.gz ZBWXCOLWBNBZPO-NRFANRHFSA-N 0 0 381.407 3.324 20 30 GGEDRN C=CCSCCNC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC000195728679 1433345820 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20 30 GGEDRN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1SCC#N ZINC000198490327 1433350096 /nfs/dbraw/zinc/35/00/96/1433350096.db2.gz LPQMTCWJMIBDBR-UHFFFAOYSA-N 0 0 378.457 3.201 20 30 GGEDRN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)NCC#Cc2ccccc2)c1 ZINC000198889582 1433351542 /nfs/dbraw/zinc/35/15/42/1433351542.db2.gz QTCDOBNNNKUMTQ-UHFFFAOYSA-N 0 0 376.485 3.474 20 30 GGEDRN Cc1nn(C)c(C)c1CCC(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000206036387 1433353502 /nfs/dbraw/zinc/35/35/02/1433353502.db2.gz CDYMFXZSDRQTQN-FYJGNVAPSA-N 0 0 395.503 3.393 20 30 GGEDRN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COc1ccc(S(C)(=O)=O)cc1 ZINC000206338849 1433353817 /nfs/dbraw/zinc/35/38/17/1433353817.db2.gz WFGQYSSIULHUGO-DEDYPNTBSA-N 0 0 385.485 3.350 20 30 GGEDRN COc1cc(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)cc(OC)c1OC ZINC000206825146 1433353990 /nfs/dbraw/zinc/35/39/90/1433353990.db2.gz KFOCCEOCNSLQPA-TWGQIWQCSA-N 0 0 383.444 3.445 20 30 GGEDRN O=C(Nc1cccc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)c1)C(F)(F)F ZINC000207526732 1433354676 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O=C(/C=C\c1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000255616824 1433886509 /nfs/dbraw/zinc/88/65/09/1433886509.db2.gz MNLPTOYKVHGGET-TWGQIWQCSA-N 0 0 391.876 3.257 20 30 GGEDRN O=C(C=NOCC(=O)Nc1ccc(Br)cc1)Nc1ccc(F)cc1 ZINC000255617376 1433886536 /nfs/dbraw/zinc/88/65/36/1433886536.db2.gz IIIKLSPCBAVDJZ-UHFFFAOYSA-N 0 0 394.200 3.168 20 30 GGEDRN Cc1cc(Br)ccc1NC(=O)CON=CC(=O)Nc1ccccc1 ZINC000255621871 1433886672 /nfs/dbraw/zinc/88/66/72/1433886672.db2.gz GTIPAGFERDRNEV-UHFFFAOYSA-N 0 0 390.237 3.337 20 30 GGEDRN Cn1nccc1/C=C(\C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccccc1 ZINC000255627643 1433886776 /nfs/dbraw/zinc/88/67/76/1433886776.db2.gz MEHSKMJAKYHBDI-JXAWBTAJSA-N 0 0 389.411 3.096 20 30 GGEDRN COCCNC(=O)/C(=C\c1ccc(O[C@H](C)C#N)cc1)c1nc2ccccc2[nH]1 ZINC000255627325 1433886796 /nfs/dbraw/zinc/88/67/96/1433886796.db2.gz FAOKWLRCMLZLCK-QLENYVDCSA-N 0 0 390.443 3.157 20 30 GGEDRN Cc1cccc(-c2ccc(CNC(=O)CCNC(=O)C3N=CC=CC3=O)cc2)c1 ZINC000255630191 1433887003 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GGEDRN CC(C)[C@@H](NC(=O)CON=CC(=O)Nc1cccc(F)c1)c1ccc(F)cc1 ZINC000255667988 1433887640 /nfs/dbraw/zinc/88/76/40/1433887640.db2.gz FLJZWGVAPPLKHA-HXUWFJFHSA-N 0 0 389.402 3.419 20 30 GGEDRN CNC(=O)CC1SC(=Nc2ccc(C#N)c(Cl)c2)N(CC2CCC2)C1=O ZINC000255674433 1433887689 /nfs/dbraw/zinc/88/76/89/1433887689.db2.gz TTYOJHJJQYTMQB-OAHLLOKOSA-N 0 0 390.896 3.079 20 30 GGEDRN CC(C)Cn1c(=O)c(=Cc2ccc([C@H]3C[C@H]3C)o2)sc1=C(C#N)C(=O)C(C)C ZINC000255692066 1433888034 /nfs/dbraw/zinc/88/80/34/1433888034.db2.gz YPCIIZVWRAXUJI-ZBFHGGJFSA-N 0 0 398.528 3.010 20 30 GGEDRN CCCn1c(=O)c(=Cc2cccs2)sc1=C(C#N)C(=O)c1cccc(C)c1 ZINC000255711418 1433888248 /nfs/dbraw/zinc/88/82/48/1433888248.db2.gz NYPOVGYVWAXFCA-UHFFFAOYSA-N 0 0 394.521 3.076 20 30 GGEDRN N#Cc1ccccc1/C=C\C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000255715075 1433888369 /nfs/dbraw/zinc/88/83/69/1433888369.db2.gz GTDQXVUFQGUGAS-KTKRTIGZSA-N 0 0 391.446 3.014 20 30 GGEDRN COc1cccc([C@H](C)N2CCN(C(=O)/C=C\c3ccccc3C#N)CC2)c1 ZINC000255717039 1433888477 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Cc1ccc(C)n1C1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000272449593 1434897154 /nfs/dbraw/zinc/89/71/54/1434897154.db2.gz BFRCUUKONHUARC-QGZVFWFLSA-N 0 0 394.475 3.198 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000272454222 1434897355 /nfs/dbraw/zinc/89/73/55/1434897355.db2.gz NCGDDKRQQPVJEZ-FQEVSTJZSA-N 0 0 397.475 3.337 20 30 GGEDRN COc1ccc(CC[C@@H](C)NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 ZINC000272458884 1434897762 /nfs/dbraw/zinc/89/77/62/1434897762.db2.gz CFRKINPMHLSBKW-HZPDHXFCSA-N 0 0 395.459 3.062 20 30 GGEDRN COc1ccc(CN(C(=O)Cc2ccc(OCC#N)cc2)[C@H](CO)C(C)C)cc1 ZINC000272462140 1434897967 /nfs/dbraw/zinc/89/79/67/1434897967.db2.gz YQGUJKZBKZVORE-JOCHJYFZSA-N 0 0 396.487 3.186 20 30 GGEDRN COc1cc(C(=O)N(C)C)ccc1NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000272472074 1434898682 /nfs/dbraw/zinc/89/86/82/1434898682.db2.gz DVKSWFPAILIMAU-ZDUSSCGKSA-N 0 0 382.420 3.332 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000272473383 1434898804 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20 30 GGEDRN C=CCNc1ncc(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC000272508508 1434901799 /nfs/dbraw/zinc/90/17/99/1434901799.db2.gz WZOWLABRWUIPJR-CHWSQXEVSA-N 0 0 380.514 3.116 20 30 GGEDRN C=CCNc1ncc(C(=O)N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC000272508515 1434901863 /nfs/dbraw/zinc/90/18/63/1434901863.db2.gz WZOWLABRWUIPJR-QWHCGFSZSA-N 0 0 380.514 3.116 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H](C)Sc1ccccc1 ZINC000272509183 1434902092 /nfs/dbraw/zinc/90/20/92/1434902092.db2.gz INIKWHFDEBTISM-HUUCEWRRSA-N 0 0 383.473 3.213 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](C)Sc1ccccc1 ZINC000272509181 1434902175 /nfs/dbraw/zinc/90/21/75/1434902175.db2.gz INIKWHFDEBTISM-GJZGRUSLSA-N 0 0 383.473 3.213 20 30 GGEDRN COCC[C@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccco1 ZINC000272510845 1434902372 /nfs/dbraw/zinc/90/23/72/1434902372.db2.gz ITVQCXDQNRFRCS-SFHVURJKSA-N 0 0 382.464 3.151 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)c1cnn(CCO[C@@H]2CCCCO2)c1C ZINC000272513471 1434902403 /nfs/dbraw/zinc/90/24/03/1434902403.db2.gz PDBCQQXPOGKAFN-HXUWFJFHSA-N 0 0 387.480 3.199 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)c1cnn(CCO[C@H]2CCCCO2)c1C ZINC000272513469 1434902501 /nfs/dbraw/zinc/90/25/01/1434902501.db2.gz PDBCQQXPOGKAFN-FQEVSTJZSA-N 0 0 387.480 3.199 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC1(Sc2ccccc2)CC1 ZINC000272516188 1434903146 /nfs/dbraw/zinc/90/31/46/1434903146.db2.gz JISFDFXWHZSYHX-HNNXBMFYSA-N 0 0 395.484 3.357 20 30 GGEDRN COCC[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccc(C)o1 ZINC000272520399 1434903615 /nfs/dbraw/zinc/90/36/15/1434903615.db2.gz RTMLUMRBKSEZRG-GOSISDBHSA-N 0 0 383.448 3.463 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCc1ccccc1OCC1CC1 ZINC000272534449 1434904903 /nfs/dbraw/zinc/90/49/03/1434904903.db2.gz LHTZEDNJTPDCSN-OAHLLOKOSA-N 0 0 393.443 3.021 20 30 GGEDRN COc1ccc([C@H](NCC(=O)NCc2ccc(C#N)cc2)C(F)(F)F)cc1 ZINC000272534158 1434904955 /nfs/dbraw/zinc/90/49/55/1434904955.db2.gz IWFKXKLZIVGIOY-SFHVURJKSA-N 0 0 377.366 3.076 20 30 GGEDRN Cc1ccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)c(OCC(=O)N(C)C)c1 ZINC000272539603 1434905651 /nfs/dbraw/zinc/90/56/51/1434905651.db2.gz NSTRYNOZWGQTRU-HNNXBMFYSA-N 0 0 396.447 3.397 20 30 GGEDRN Cc1ccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)c(OCC(=O)N(C)C)c1 ZINC000272539607 1434905712 /nfs/dbraw/zinc/90/57/12/1434905712.db2.gz NSTRYNOZWGQTRU-OAHLLOKOSA-N 0 0 396.447 3.397 20 30 GGEDRN Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)C1CC1 ZINC000272547976 1434906774 /nfs/dbraw/zinc/90/67/74/1434906774.db2.gz NALWJBKRFZUEFL-YWZLYKJASA-N 0 0 377.444 3.492 20 30 GGEDRN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)C1CC1 ZINC000272547972 1434906778 /nfs/dbraw/zinc/90/67/78/1434906778.db2.gz NALWJBKRFZUEFL-MGPUTAFESA-N 0 0 377.444 3.492 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)CNC(=O)c1ccccc1C(F)(F)F ZINC000272553359 1434907326 /nfs/dbraw/zinc/90/73/26/1434907326.db2.gz DEYRMFBOSZXMDZ-UHFFFAOYSA-N 0 0 380.366 3.286 20 30 GGEDRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000272555865 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3.029 20 30 GGEDRN COCC[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccco1 ZINC000272585441 1434910910 /nfs/dbraw/zinc/91/09/10/1434910910.db2.gz RMAJQOIYNNEOPQ-IBGZPJMESA-N 0 0 383.448 3.482 20 30 GGEDRN N#Cc1ccccc1OCc1nc([C@@H]2CN(Cc3ccccc3)CCO2)no1 ZINC000272589354 1434911605 /nfs/dbraw/zinc/91/16/05/1434911605.db2.gz FUMVYVRAKZWVHZ-IBGZPJMESA-N 0 0 376.416 3.094 20 30 GGEDRN CN1C(=O)C[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000272589957 1434911676 /nfs/dbraw/zinc/91/16/76/1434911676.db2.gz RXTSEZQTWKAVDK-WBVHZDCISA-N 0 0 392.862 3.086 20 30 GGEDRN COc1ccc(C(=O)N(C)C)cc1NC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000272591840 1434911844 /nfs/dbraw/zinc/91/18/44/1434911844.db2.gz VWRNNTSMQJJDMV-CYBMUJFWSA-N 0 0 382.420 3.332 20 30 GGEDRN CC1(C#N)CCN(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)CC1 ZINC000272610469 1434914620 /nfs/dbraw/zinc/91/46/20/1434914620.db2.gz ZEFZHLSZPLDNRR-KRWDZBQOSA-N 0 0 385.468 3.145 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](COc3ccccc3)C2)c(Cl)c1 ZINC000272610486 1434914832 /nfs/dbraw/zinc/91/48/32/1434914832.db2.gz QUOYYUMXXLLMDC-OAHLLOKOSA-N 0 0 383.835 3.078 20 30 GGEDRN C[C@@H](OCCCNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccccc1 ZINC000272616626 1434915616 /nfs/dbraw/zinc/91/56/16/1434915616.db2.gz WLANFTZMJTXEQY-DLBZAZTESA-N 0 0 395.459 3.200 20 30 GGEDRN CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 ZINC000272620140 1434915966 /nfs/dbraw/zinc/91/59/66/1434915966.db2.gz XABYGLHHCZQKJN-HNNXBMFYSA-N 0 0 381.432 3.020 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000272622695 1434916215 /nfs/dbraw/zinc/91/62/15/1434916215.db2.gz XKOWHJMCHLLADS-BPQIPLTHSA-N 0 0 377.444 3.368 20 30 GGEDRN COc1ccccc1C[C@H](C)N(C)C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000272622856 1434916220 /nfs/dbraw/zinc/91/62/20/1434916220.db2.gz XOULAYDUIPMLED-JKSUJKDBSA-N 0 0 395.459 3.014 20 30 GGEDRN CC(C)[C@H](NC(=O)CN1CCC(C)(C#N)CC1)c1ccc2c(c1)OCCCO2 ZINC000272625705 1434917040 /nfs/dbraw/zinc/91/70/40/1434917040.db2.gz VKAVHNWXZBCCNH-NRFANRHFSA-N 0 0 385.508 3.287 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000272634531 1434917901 /nfs/dbraw/zinc/91/79/01/1434917901.db2.gz CDNOQHKNHFVNKR-ZIAGYGMSSA-N 0 0 376.457 3.354 20 30 GGEDRN CN(C)C(=O)CC1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000272646135 1434919167 /nfs/dbraw/zinc/91/91/67/1434919167.db2.gz DEDVYGDYCRTSFL-UHFFFAOYSA-N 0 0 390.487 3.204 20 30 GGEDRN N#CCOc1cccc(Cc2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)c1 ZINC000272652944 1434919830 /nfs/dbraw/zinc/91/98/30/1434919830.db2.gz NGVYAKQNPGVRMF-FQEVSTJZSA-N 0 0 390.443 3.136 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000272654566 1434919963 /nfs/dbraw/zinc/91/99/63/1434919963.db2.gz HPNXIOBMRWJKSA-YPMHNXCESA-N 0 0 385.342 3.079 20 30 GGEDRN COc1cc(OC)cc(OCCNC(=O)Nc2ccccc2O[C@@H](C)C#N)c1 ZINC000272656598 1434920268 /nfs/dbraw/zinc/92/02/68/1434920268.db2.gz GIEKCPVTJBLOPN-AWEZNQCLSA-N 0 0 385.420 3.195 20 30 GGEDRN COc1cccc(N2CC[C@@H](NC(=O)Nc3ccccc3O[C@H](C)C#N)C2)c1 ZINC000272665393 1434920979 /nfs/dbraw/zinc/92/09/79/1434920979.db2.gz IRMVAHASHLIRKV-HZPDHXFCSA-N 0 0 380.448 3.386 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000272666342 1434920986 /nfs/dbraw/zinc/92/09/86/1434920986.db2.gz SIDUWLGEVQLACS-UHFFFAOYSA-N 0 0 383.416 3.288 20 30 GGEDRN CC(=O)Nc1cccc(OCCNC(=O)Nc2ccccc2O[C@@H](C)C#N)c1 ZINC000272672529 1434921412 /nfs/dbraw/zinc/92/14/12/1434921412.db2.gz LEIKPIVRMTZPOW-AWEZNQCLSA-N 0 0 382.420 3.136 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000272671718 1434921420 /nfs/dbraw/zinc/92/14/20/1434921420.db2.gz KXPRUNKNFLCSPZ-INIZCTEOSA-N 0 0 380.448 3.136 20 30 GGEDRN COc1ccc(OC)c2c1CN(C(=O)Nc1ccccc1O[C@@H](C)C#N)C[C@@H]2O ZINC000272675447 1434921517 /nfs/dbraw/zinc/92/15/17/1434921517.db2.gz MABYDPSADCIHQR-BBRMVZONSA-N 0 0 397.431 3.076 20 30 GGEDRN CCOC(=O)N[C@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)CC(C)C ZINC000272674790 1434921550 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393.487 3.127 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)NCC[C@@](C)(O)c1ccccc1 ZINC000275209875 1435123249 /nfs/dbraw/zinc/12/32/49/1435123249.db2.gz JNOZXILNSPJWCI-OAQYLSRUSA-N 0 0 383.448 3.003 20 30 GGEDRN N#CCCCCNC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000275243175 1435125201 /nfs/dbraw/zinc/12/52/01/1435125201.db2.gz GKHAHYXGZYYJQH-OAHLLOKOSA-N 0 0 393.871 3.036 20 30 GGEDRN CC(C)c1noc([C@@H](NC(=O)/C=C/c2cccc(C#N)c2)C2CCOCC2)n1 ZINC000275251981 1435126032 /nfs/dbraw/zinc/12/60/32/1435126032.db2.gz HFBDVPBZPIGUAF-GHOSXJJBSA-N 0 0 380.448 3.362 20 30 GGEDRN C=CCCCCNC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000275385507 1435135663 /nfs/dbraw/zinc/13/56/63/1435135663.db2.gz XDOAOZGLUNDLPW-CQSZACIVSA-N 0 0 380.872 3.166 20 30 GGEDRN CCOC(=O)c1c(C)oc2nc(CN[C@H](C)c3ccc(C#N)cc3)nc(N)c21 ZINC000275400785 1435136723 /nfs/dbraw/zinc/13/67/23/1435136723.db2.gz BTPNXHWADRRGLL-LLVKDONJSA-N 0 0 379.420 3.013 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21 ZINC000275422806 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C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCO[C@@H]1c1nccn1C ZINC000275512141 1435144722 /nfs/dbraw/zinc/14/47/22/1435144722.db2.gz LIBZZJGUKOTKAJ-QRTARXTBSA-N 0 0 385.493 3.324 20 30 GGEDRN CSc1nn(-c2ccccc2)c(NC(=O)CCCCCNC(C)=O)c1C#N ZINC000275524772 1435145467 /nfs/dbraw/zinc/14/54/67/1435145467.db2.gz XGALZZPUKAWSNK-UHFFFAOYSA-N 0 0 385.493 3.101 20 30 GGEDRN C[C@@H]1C(=O)CC[C@H](C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000275526259 1435145535 /nfs/dbraw/zinc/14/55/35/1435145535.db2.gz BDRPHKFDEYBYGJ-YLJYHZDGSA-N 0 0 381.520 3.234 20 30 GGEDRN N#CCN1CCC[C@@H](CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000275537631 1435146560 /nfs/dbraw/zinc/14/65/60/1435146560.db2.gz LGUXYBJEQFEZMH-ZDUSSCGKSA-N 0 0 383.389 3.228 20 30 GGEDRN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000275536297 1435146667 /nfs/dbraw/zinc/14/66/67/1435146667.db2.gz NQPUTQJJJROHHQ-GJZGRUSLSA-N 0 0 393.369 3.445 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000275551463 1435147578 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CCc1c(NC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)cnn1CCC(C)C ZINC000276941048 1435245188 /nfs/dbraw/zinc/24/51/88/1435245188.db2.gz CNXLYNJEJXJPTI-HNNXBMFYSA-N 0 0 397.479 3.360 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000276947441 1435245968 /nfs/dbraw/zinc/24/59/68/1435245968.db2.gz OBUKSHQAHBJUHD-UHFFFAOYSA-N 0 0 392.427 3.206 20 30 GGEDRN N#Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276956898 1435246937 /nfs/dbraw/zinc/24/69/37/1435246937.db2.gz OVPITZNDTZRZTD-GOSISDBHSA-N 0 0 380.448 3.132 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)c2nnc([C@H](C)CC)[nH]2)c1 ZINC000276969361 1435248138 /nfs/dbraw/zinc/24/81/38/1435248138.db2.gz XXSGKUNRGCVJBL-KGLIPLIRSA-N 0 0 385.468 3.089 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)c2nnc([C@@H](C)CC)[nH]2)c1 ZINC000276969356 1435248197 /nfs/dbraw/zinc/24/81/97/1435248197.db2.gz XXSGKUNRGCVJBL-KBPBESRZSA-N 0 0 385.468 3.089 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)c(Cl)c1 ZINC000277013882 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375.469 3.090 20 30 GGEDRN C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[S@]1=O ZINC000277035939 1435254629 /nfs/dbraw/zinc/25/46/29/1435254629.db2.gz BLFPJNTVRNPPLY-RMKBEBRYSA-N 0 0 393.578 3.060 20 30 GGEDRN Cc1cc(F)cc2c1ncc(C#N)c2N1CCC(N(C)c2cccnn2)CC1 ZINC000277061063 1435257833 /nfs/dbraw/zinc/25/78/33/1435257833.db2.gz RFFYSXWMDUQNRI-UHFFFAOYSA-N 0 0 376.439 3.449 20 30 GGEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)C2=O)cc1 ZINC000277069992 1435258791 /nfs/dbraw/zinc/25/87/91/1435258791.db2.gz QLRFNTYWCAGYGZ-BBWFWOEESA-N 0 0 393.409 3.144 20 30 GGEDRN CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)c2cccc(CC#N)c2)cc1 ZINC000277069578 1435258807 /nfs/dbraw/zinc/25/88/07/1435258807.db2.gz NIRJWSPIJSPWFT-UHFFFAOYSA-N 0 0 385.489 3.058 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000277070815 1435258874 /nfs/dbraw/zinc/25/88/74/1435258874.db2.gz VMALHCLKRFXWSE-UHFFFAOYSA-N 0 0 395.434 3.152 20 30 GGEDRN CCCn1ccnc1CCCN(C)C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000277074795 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20 30 GGEDRN N#Cc1ccc([C@H](O)CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000277142065 1435267673 /nfs/dbraw/zinc/26/76/73/1435267673.db2.gz DWLCWSMVUYKJJT-RTBURBONSA-N 0 0 382.464 3.096 20 30 GGEDRN N#CCOc1ccc(/C=C/C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)cc1 ZINC000277146237 1435268562 /nfs/dbraw/zinc/26/85/62/1435268562.db2.gz QSTJLNNXLGUXMY-YPNIWSFNSA-N 0 0 381.476 3.042 20 30 GGEDRN C[C@H](CN(C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000277157580 1435270662 /nfs/dbraw/zinc/27/06/62/1435270662.db2.gz HXRRGAMCNWGDBI-UTKZUKDTSA-N 0 0 390.487 3.104 20 30 GGEDRN C[C@@H](CN(C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000277157577 1435270680 /nfs/dbraw/zinc/27/06/80/1435270680.db2.gz HXRRGAMCNWGDBI-LAUBAEHRSA-N 0 0 390.487 3.104 20 30 GGEDRN COC(=O)c1cc(NC(=O)N(CCC#N)Cc2ccco2)c(C)c([N+](=O)[O-])c1 ZINC000277160551 1435270879 /nfs/dbraw/zinc/27/08/79/1435270879.db2.gz IFUGRDQPVHZEOD-UHFFFAOYSA-N 0 0 386.364 3.231 20 30 GGEDRN COc1cccc(CSC[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C(=O)[O-])c1 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ZINC000277294719 1435290501 /nfs/dbraw/zinc/29/05/01/1435290501.db2.gz CAPLYOUAJKCIPL-HNNXBMFYSA-N 0 0 399.472 3.249 20 30 GGEDRN N#CCOc1ccc(CNC(=O)C(=O)Nc2ncc(C3CCCCC3)s2)cc1 ZINC000277298930 1435291100 /nfs/dbraw/zinc/29/11/00/1435291100.db2.gz UUPQJNXLSJCONU-UHFFFAOYSA-N 0 0 398.488 3.348 20 30 GGEDRN C=CCC[C@H](C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccccc1 ZINC000277307878 1435291985 /nfs/dbraw/zinc/29/19/85/1435291985.db2.gz UXYALGUQVGBTRV-IBGZPJMESA-N 0 0 392.565 3.445 20 30 GGEDRN N#Cc1ccccc1N1CCCN(C(=O)c2ncsc2C(F)(F)F)CC1 ZINC000277323016 1435294198 /nfs/dbraw/zinc/29/41/98/1435294198.db2.gz CJGBFRUPSVOBOP-UHFFFAOYSA-N 0 0 380.395 3.386 20 30 GGEDRN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000277378226 1435300257 /nfs/dbraw/zinc/30/02/57/1435300257.db2.gz CQDWRHOVTLFACE-OSAUGMIZSA-N 0 0 399.491 3.364 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000277417987 1435303348 /nfs/dbraw/zinc/30/33/48/1435303348.db2.gz GIPNSVIMJBQRGL-LBPRGKRZSA-N 0 0 390.827 3.033 20 30 GGEDRN Cc1cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C(F)(F)F)o1 ZINC000277419986 1435303517 /nfs/dbraw/zinc/30/35/17/1435303517.db2.gz AWPUFCGOMAWSIM-HNNXBMFYSA-N 0 0 391.349 3.009 20 30 GGEDRN C#CC[C@@]1(C(=O)Nc2ccc3c(c2)CCC(=O)N3)CCCN1C(=O)OC(C)(C)C ZINC000277433618 1435304401 /nfs/dbraw/zinc/30/44/01/1435304401.db2.gz NCSGYIRKLZUJFA-QFIPXVFZSA-N 0 0 397.475 3.303 20 30 GGEDRN N#Cc1cc([N+](=O)[O-])cnc1N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000277446205 1435305305 /nfs/dbraw/zinc/30/53/05/1435305305.db2.gz NQPOJXWSLKSQGL-UHFFFAOYSA-N 0 0 392.337 3.368 20 30 GGEDRN COc1cccc(C2(NC(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)c1 ZINC000277449278 1435305548 /nfs/dbraw/zinc/30/55/48/1435305548.db2.gz FZUPTCFQIQULFB-UHFFFAOYSA-N 0 0 377.444 3.240 20 30 GGEDRN CC[C@H](C)c1nnc([C@H](C)NC(=O)Nc2cc(C#N)ccc2OCCOC)[nH]1 ZINC000277456999 1435305926 /nfs/dbraw/zinc/30/59/26/1435305926.db2.gz QASNLJHAAKJXIA-STQMWFEESA-N 0 0 386.456 3.098 20 30 GGEDRN COc1cccc(C2(NC(=O)C(=O)Nc3cccc(OCCCC#N)c3)CC2)c1 ZINC000277459676 1435306183 /nfs/dbraw/zinc/30/61/83/1435306183.db2.gz GWFIJGRDSXQHNJ-UHFFFAOYSA-N 0 0 393.443 3.122 20 30 GGEDRN CCOC(COCCNC(=O)c1ccccc1-c1ccccc1C#N)OCC ZINC000277462190 1435306277 /nfs/dbraw/zinc/30/62/77/1435306277.db2.gz KNNAOEYADDRRLA-UHFFFAOYSA-N 0 0 382.460 3.371 20 30 GGEDRN C#Cc1cccc(N(C)C(=O)C2=NOC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC000277462494 1435306428 /nfs/dbraw/zinc/30/64/28/1435306428.db2.gz HJBPCNZRLVXHJI-UHFFFAOYSA-N 0 0 397.475 3.177 20 30 GGEDRN N#Cc1cccc(C2(NC(=O)C(=O)Nc3cccc(CC(F)(F)F)c3)CC2)c1 ZINC000277466115 1435306533 /nfs/dbraw/zinc/30/65/33/1435306533.db2.gz HLPZVQWGRABQBT-UHFFFAOYSA-N 0 0 387.361 3.407 20 30 GGEDRN COc1cc(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1C#N ZINC000277475439 1435306902 /nfs/dbraw/zinc/30/69/02/1435306902.db2.gz BHJALWKSWOZCDG-GOSISDBHSA-N 0 0 394.427 3.081 20 30 GGEDRN COc1ccc(C(=O)CCC(=O)N2CCCC(C)(C)[C@H]2C#N)c(OC)c1OC ZINC000277475769 1435307077 /nfs/dbraw/zinc/30/70/77/1435307077.db2.gz IEWNOXUHMLUFAK-QGZVFWFLSA-N 0 0 388.464 3.216 20 30 GGEDRN C[C@@H]1COCC[C@@H]1NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000277484875 1435307749 /nfs/dbraw/zinc/30/77/49/1435307749.db2.gz MXHLVDYAEPKIHJ-KUHUBIRLSA-N 0 0 378.432 3.357 20 30 GGEDRN Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000277518996 1435310004 /nfs/dbraw/zinc/31/00/04/1435310004.db2.gz LOPWDAPJOQLFSW-QGZVFWFLSA-N 0 0 379.464 3.026 20 30 GGEDRN CC[C@@H](C)[C@H](NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C(F)(F)F ZINC000277521043 1435310230 /nfs/dbraw/zinc/31/02/30/1435310230.db2.gz GMDBRKDLDNXNAV-HWPZZCPQSA-N 0 0 381.402 3.244 20 30 GGEDRN Cc1cc(NC(=O)C(=O)Nc2ccc(F)cc2C#N)cnc1N1CCCC[C@H]1C ZINC000277530722 1435310812 /nfs/dbraw/zinc/31/08/12/1435310812.db2.gz MLNGVICFKFOHCF-CQSZACIVSA-N 0 0 395.438 3.357 20 30 GGEDRN N#Cc1cccc(C2(NC(=O)C(=O)Nc3ccccc3CC(F)(F)F)CC2)c1 ZINC000277539334 1435311339 /nfs/dbraw/zinc/31/13/39/1435311339.db2.gz NFNRGXAFGKTQNG-UHFFFAOYSA-N 0 0 387.361 3.407 20 30 GGEDRN N#CCOc1ccccc1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277538009 1435311417 /nfs/dbraw/zinc/31/14/17/1435311417.db2.gz IFFIQBHLEZHNQQ-UHFFFAOYSA-N 0 0 380.835 3.076 20 30 GGEDRN Cc1cc(NC(=O)C(=O)Nc2ccc(C#N)cc2)cnc1N1CCCC[C@@H]1C ZINC000277558637 1435312787 /nfs/dbraw/zinc/31/27/87/1435312787.db2.gz PDDUDQGJLGCYPN-HNNXBMFYSA-N 0 0 377.448 3.218 20 30 GGEDRN CS(=O)(=O)[C@H]1CCCCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000277573016 1435313623 /nfs/dbraw/zinc/31/36/23/1435313623.db2.gz BNNIEZZHYWAJJF-KRWDZBQOSA-N 0 0 398.484 3.390 20 30 GGEDRN CCCn1ccnc1CCCN(C)C(=O)/C=C/c1ccc(OCC#N)c(OC)c1 ZINC000277591187 1435314958 /nfs/dbraw/zinc/31/49/58/1435314958.db2.gz PDGTXJIZXQMOPS-CSKARUKUSA-N 0 0 396.491 3.308 20 30 GGEDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ncccc1OCCCC#N ZINC000277596052 1435315260 /nfs/dbraw/zinc/31/52/60/1435315260.db2.gz NZWVLYCDONEPJC-UONOGXRCSA-N 0 0 376.457 3.252 20 30 GGEDRN C=CCOc1cccc(NC(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)c1 ZINC000277607659 1435315968 /nfs/dbraw/zinc/31/59/68/1435315968.db2.gz AOYORZGYKWXGBB-UHFFFAOYSA-N 0 0 393.451 3.068 20 30 GGEDRN COc1ccc(OC(C)C)c(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000277610348 1435316142 /nfs/dbraw/zinc/31/61/42/1435316142.db2.gz VEIHFJMSKXCTJU-UHFFFAOYSA-N 0 0 393.443 3.098 20 30 GGEDRN COc1cc(-c2noc(CN3CCCC(C)(C)[C@H]3C#N)n2)cc(OC)c1OC ZINC000277635856 1435318120 /nfs/dbraw/zinc/31/81/20/1435318120.db2.gz BTOOEMTVSXBLMN-MRXNPFEDSA-N 0 0 386.452 3.277 20 30 GGEDRN N#CCCn1cc(C(=O)CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c2ccccc21 ZINC000277639491 1435318236 /nfs/dbraw/zinc/31/82/36/1435318236.db2.gz BZAACOJHAWQXFB-KUHUBIRLSA-N 0 0 393.409 3.373 20 30 GGEDRN CCS(=O)(=O)C1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000277690564 1435322273 /nfs/dbraw/zinc/32/22/73/1435322273.db2.gz JSMOAFGCOYCRRQ-AWEZNQCLSA-N 0 0 395.550 3.369 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000277695063 1435322459 /nfs/dbraw/zinc/32/24/59/1435322459.db2.gz KHVLWPRGKCQQAF-UHFFFAOYSA-N 0 0 379.460 3.416 20 30 GGEDRN C=CC[C@@H]1N(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CCCC1(C)C ZINC000277697296 1435322738 /nfs/dbraw/zinc/32/27/38/1435322738.db2.gz KMOJEJRZZBXYPA-KRWDZBQOSA-N 0 0 379.526 3.334 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N2CC[C@](C(=O)OCC)(C(C)C)C2)cc1 ZINC000277698964 1435322827 /nfs/dbraw/zinc/32/28/27/1435322827.db2.gz HLHXEPMAXMUHKV-OAQYLSRUSA-N 0 0 387.480 3.046 20 30 GGEDRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000277713470 1435323896 /nfs/dbraw/zinc/32/38/96/1435323896.db2.gz MWMJEPGVENFZIS-HNNXBMFYSA-N 0 0 391.468 3.214 20 30 GGEDRN Cc1c(-c2cc(CN3CCN(c4ccc(C#N)cc4Cl)CC3)on2)cnn1C ZINC000277715052 1435324035 /nfs/dbraw/zinc/32/40/35/1435324035.db2.gz ISONPCLMZWPCCT-UHFFFAOYSA-N 0 0 396.882 3.231 20 30 GGEDRN NC(=NOCc1ccc(C(F)(F)F)cn1)c1cccnc1N1CCCCC1 ZINC000277726064 1435325004 /nfs/dbraw/zinc/32/50/04/1435325004.db2.gz XNTPOBJCCWTQTD-UHFFFAOYSA-N 0 0 379.386 3.323 20 30 GGEDRN COc1cc(OCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)ccc1C#N ZINC000277728731 1435325123 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382.420 3.242 20 30 GGEDRN Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)Nc3cc(C#N)cn3C(C)(C)C)n2)c1 ZINC000278371614 1435384814 /nfs/dbraw/zinc/38/48/14/1435384814.db2.gz PJOUWCUYAYIXBN-CYBMUJFWSA-N 0 0 392.467 3.486 20 30 GGEDRN COCCN(C(=O)CC(C)(C)C#N)c1ccc(NC(=O)CC(C)(C)C#N)cc1 ZINC000278394088 1435386786 /nfs/dbraw/zinc/38/67/86/1435386786.db2.gz SFXVNFXGYIHVIR-UHFFFAOYSA-N 0 0 384.480 3.484 20 30 GGEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2=O)cc1 ZINC000278396793 1435387328 /nfs/dbraw/zinc/38/73/28/1435387328.db2.gz NDWUISIOJJWDBK-BZUAXINKSA-N 0 0 399.903 3.294 20 30 GGEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2=O)cc1 ZINC000278396804 1435387364 /nfs/dbraw/zinc/38/73/64/1435387364.db2.gz NDWUISIOJJWDBK-OAGGEKHMSA-N 0 0 399.903 3.294 20 30 GGEDRN C=CC[C@@H]1N(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)CCCC1(C)C ZINC000278408906 1435388468 /nfs/dbraw/zinc/38/84/68/1435388468.db2.gz YLFYXHWQTBBLEW-KRWDZBQOSA-N 0 0 397.527 3.458 20 30 GGEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000278409011 1435388495 /nfs/dbraw/zinc/38/84/95/1435388495.db2.gz RLZLCBPUBMYMSU-ZOBUZTSGSA-N 0 0 387.480 3.230 20 30 GGEDRN Cc1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1OC(C)C ZINC000278410866 1435388640 /nfs/dbraw/zinc/38/86/40/1435388640.db2.gz HMRJPSOHBWDXJY-MRXNPFEDSA-N 0 0 394.479 3.187 20 30 GGEDRN C=CC[C@H]1N(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CCCC1(C)C ZINC000278433396 1435390538 /nfs/dbraw/zinc/39/05/38/1435390538.db2.gz PTMGVUQJYBUZLD-MRXNPFEDSA-N 0 0 380.466 3.205 20 30 GGEDRN Cc1cnc(C2CCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CC2)s1 ZINC000278435842 1435390719 /nfs/dbraw/zinc/39/07/19/1435390719.db2.gz SEFLVDBVPXVKRN-UHFFFAOYSA-N 0 0 388.880 3.321 20 30 GGEDRN C=CC[C@H]1N(C(=O)CCc2ccc(S(=O)(=O)NC)cc2)CCCC1(C)C ZINC000278445064 1435391378 /nfs/dbraw/zinc/39/13/78/1435391378.db2.gz QYXPGADKXMBAFG-GOSISDBHSA-N 0 0 378.538 3.121 20 30 GGEDRN N#CC1(CS(=O)(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000278447876 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GGEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@]2(O)CCO[C@H]2C)cc1 ZINC000279131914 1435463462 /nfs/dbraw/zinc/46/34/62/1435463462.db2.gz RARURQZUGQXUIQ-LHSJRXKWSA-N 0 0 397.431 3.021 20 30 GGEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@]2(O)CCO[C@@H]2C)cc1 ZINC000279131961 1435463551 /nfs/dbraw/zinc/46/35/51/1435463551.db2.gz RARURQZUGQXUIQ-SZNDQCEHSA-N 0 0 397.431 3.021 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccc(C(=O)N[C@@H](C)CC)cc2)n1 ZINC000279144382 1435464854 /nfs/dbraw/zinc/46/48/54/1435464854.db2.gz SCRKQYXUQVCZGI-INIZCTEOSA-N 0 0 381.480 3.099 20 30 GGEDRN C[C@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC2(CCOCC2)O1 ZINC000279161734 1435466330 /nfs/dbraw/zinc/46/63/30/1435466330.db2.gz GDYQRVSYRLAMQB-INIZCTEOSA-N 0 0 396.443 3.140 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)n1 ZINC000279167247 1435466801 /nfs/dbraw/zinc/46/68/01/1435466801.db2.gz QXPVQRKMLSVJAV-UHFFFAOYSA-N 0 0 397.866 3.201 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2cc(C)n(Cc3ccccn3)c2C)n1 ZINC000279180621 1435468319 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393.443 3.144 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)NCc2ccc(OCC(F)(F)F)cc2)n1 ZINC000279209238 1435471710 /nfs/dbraw/zinc/47/17/10/1435471710.db2.gz KJCJLSPISNISQA-UHFFFAOYSA-N 0 0 394.397 3.189 20 30 GGEDRN C=CCC[C@H](NC(=O)C(=O)Nc1cc([C@H]2CCCO2)nn1C)c1ccccc1 ZINC000279216743 1435472499 /nfs/dbraw/zinc/47/24/99/1435472499.db2.gz MVOWLFZMBJGBCL-FUHWJXTLSA-N 0 0 382.464 3.034 20 30 GGEDRN CCCCCCCCCCNC(=O)C(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000279236245 1435475038 /nfs/dbraw/zinc/47/50/38/1435475038.db2.gz PGZVUIUORHMETG-QGZVFWFLSA-N 0 0 378.517 3.467 20 30 GGEDRN CCCCCCCCCCNC(=O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000279236231 1435475153 /nfs/dbraw/zinc/47/51/53/1435475153.db2.gz PGZVUIUORHMETG-KRWDZBQOSA-N 0 0 378.517 3.467 20 30 GGEDRN C#CC[C@@]1(C(=O)N(C)Cc2scnc2C)CCCN1C(=O)OC(C)(C)C ZINC000279238766 1435475407 /nfs/dbraw/zinc/47/54/07/1435475407.db2.gz RFOAKBYGWGEGLO-IBGZPJMESA-N 0 0 377.510 3.203 20 30 GGEDRN C#CC[C@]1(C(=O)N(C)Cc2scnc2C)CCCN1C(=O)OC(C)(C)C ZINC000279238767 1435475541 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20 30 GGEDRN C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1cccc(N2CCOC2=O)c1 ZINC000279263687 1435479101 /nfs/dbraw/zinc/47/91/01/1435479101.db2.gz IKVBEBQLEFQMDL-HNAYVOBHSA-N 0 0 388.427 3.075 20 30 GGEDRN C=CCc1cc(C(=O)Nc2cc([C@H]3CCCOC3)nn2C)cc(OC)c1OC ZINC000279285295 1435481747 /nfs/dbraw/zinc/48/17/47/1435481747.db2.gz KNOKTIMRHMFXNO-HNNXBMFYSA-N 0 0 385.464 3.312 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)NCCc2ccc(OCC)c(OCC)c2)n1 ZINC000279289487 1435482127 /nfs/dbraw/zinc/48/21/27/1435482127.db2.gz UTICVCVIXBFVNI-UHFFFAOYSA-N 0 0 398.507 3.088 20 30 GGEDRN CCNC(=O)Nc1cccc(NC(=O)COc2ccc(C#N)cc2OC)c1C ZINC000279288694 1435482200 /nfs/dbraw/zinc/48/22/00/1435482200.db2.gz LFRZWKISHXNMSU-UHFFFAOYSA-N 0 0 382.420 3.034 20 30 GGEDRN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000279294852 1435482995 /nfs/dbraw/zinc/48/29/95/1435482995.db2.gz UVLANKCSGPECFL-HNNXBMFYSA-N 0 0 396.447 3.200 20 30 GGEDRN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000279294856 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PDBVBRFKHYUJHR-XOBRGWDASA-N 0 0 396.491 3.056 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000279334926 1435487783 /nfs/dbraw/zinc/48/77/83/1435487783.db2.gz BCBPUNIMPXOINO-UHFFFAOYSA-N 0 0 388.807 3.399 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)NCCc2csc(-c3ccccc3)n2)n1 ZINC000279342120 1435488636 /nfs/dbraw/zinc/48/86/36/1435488636.db2.gz BYDKCUWCCMPUCJ-UHFFFAOYSA-N 0 0 393.516 3.414 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1OC(F)F ZINC000279359682 1435491127 /nfs/dbraw/zinc/49/11/27/1435491127.db2.gz QWZZLHFBMFNBGC-KRWDZBQOSA-N 0 0 399.397 3.209 20 30 GGEDRN C[C@@H]1OCC[C@]12CN(C(=O)c1ccc(OCc3ccccc3C#N)cc1)CCO2 ZINC000279373469 1435492467 /nfs/dbraw/zinc/49/24/67/1435492467.db2.gz HRURHFIAIZBARJ-SBUREZEXSA-N 0 0 392.455 3.157 20 30 GGEDRN C[C@H]1OCC[C@@]12CN(C(=O)c1ccccc1Oc1ccccc1C#N)CCO2 ZINC000279373774 1435492549 /nfs/dbraw/zinc/49/25/49/1435492549.db2.gz HTHVBLQPOSWWQK-OPAMFIHVSA-N 0 0 378.428 3.371 20 30 GGEDRN CS(=O)(=O)CC[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 ZINC000279392511 1435494303 /nfs/dbraw/zinc/49/43/03/1435494303.db2.gz VXFRRVSBVWHAGH-OAQYLSRUSA-N 0 0 396.512 3.268 20 30 GGEDRN C#CC[C@@H](NC(=O)C(=O)Nc1nc2c(s1)C[C@H](CC)CC2)c1ccccc1 ZINC000279396815 1435494755 /nfs/dbraw/zinc/49/47/55/1435494755.db2.gz MDMFDJZEDMQTRH-GDBMZVCRSA-N 0 0 381.501 3.477 20 30 GGEDRN CN(C(=O)CC(C)(C)C#N)[C@@H](CNC(=O)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000279400416 1435495356 /nfs/dbraw/zinc/49/53/56/1435495356.db2.gz JPVUIQXZRBXUDC-KRWDZBQOSA-N 0 0 386.471 3.321 20 30 GGEDRN CNC(=O)CC1S/C(=N\c2cc(C)ccc2C)N(C[C@H]2CCSC2)C1=O ZINC000279407045 1435496040 /nfs/dbraw/zinc/49/60/40/1435496040.db2.gz JAULGYWEVLHFPW-KPGMTAFASA-N 0 0 391.562 3.124 20 30 GGEDRN CNC(=O)CC1S/C(=N\c2cc(C)ccc2C)N(C[C@@H]2CCSC2)C1=O ZINC000279407055 1435496085 /nfs/dbraw/zinc/49/60/85/1435496085.db2.gz JAULGYWEVLHFPW-XBOAPZAJSA-N 0 0 391.562 3.124 20 30 GGEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)NCCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000279421238 1435497564 /nfs/dbraw/zinc/49/75/64/1435497564.db2.gz WYPZPDDJPPTIQO-KRWDZBQOSA-N 0 0 387.361 3.498 20 30 GGEDRN COCCN(Cc1ccc(C)o1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279435126 1435499187 /nfs/dbraw/zinc/49/91/87/1435499187.db2.gz QTULUEHFDRKNTD-UHFFFAOYSA-N 0 0 379.464 3.409 20 30 GGEDRN COCCCOc1cccc(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 ZINC000279437753 1435499471 /nfs/dbraw/zinc/49/94/71/1435499471.db2.gz OUOBNLGXECXUFC-UHFFFAOYSA-N 0 0 398.463 3.107 20 30 GGEDRN CCOCCOCc1cccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000279437001 1435499530 /nfs/dbraw/zinc/49/95/30/1435499530.db2.gz YHBGCDAQJWWMGP-HXUWFJFHSA-N 0 0 377.444 3.432 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)NCc2cc(C)ccc2OC(F)F)n1 ZINC000279447386 1435500556 /nfs/dbraw/zinc/50/05/56/1435500556.db2.gz KLUBKOQAIWFUSP-UHFFFAOYSA-N 0 0 376.407 3.158 20 30 GGEDRN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000279469312 1435502780 /nfs/dbraw/zinc/50/27/80/1435502780.db2.gz WPCJOCZVCGBAAK-QGZVFWFLSA-N 0 0 382.464 3.374 20 30 GGEDRN N#Cc1ccccc1N1CCCN(C(=O)c2ccc(NCC3CC3)nc2)CC1 ZINC000279482973 1435504052 /nfs/dbraw/zinc/50/40/52/1435504052.db2.gz QWUJCBHZVIBYOW-UHFFFAOYSA-N 0 0 375.476 3.128 20 30 GGEDRN COC[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)[C@@H]1CCCO1 ZINC000279489720 1435505134 /nfs/dbraw/zinc/50/51/34/1435505134.db2.gz OOFXRSMPDLHBQU-FPOVZHCZSA-N 0 0 380.444 3.061 20 30 GGEDRN C[C@H]1OCC[C@]12CN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C[C@@H](C)O2 ZINC000279490699 1435505345 /nfs/dbraw/zinc/50/53/45/1435505345.db2.gz HSPRZIAYOHLNHN-QFSBIZTOSA-N 0 0 383.370 3.377 20 30 GGEDRN N#CCCn1cc(CN2CCC(C(=O)C(F)(F)F)CC2)c(-c2ccncc2)n1 ZINC000279497559 1435505896 /nfs/dbraw/zinc/50/58/96/1435505896.db2.gz YWXXXMDEUKDXSX-UHFFFAOYSA-N 0 0 391.397 3.202 20 30 GGEDRN C[C@H](O)CCCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000279498275 1435506067 /nfs/dbraw/zinc/50/60/67/1435506067.db2.gz VTDFKVOMIAMVIE-KBXCAEBGSA-N 0 0 399.878 3.211 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(C(=O)NCC)ccc1C ZINC000279500870 1435506488 /nfs/dbraw/zinc/50/64/88/1435506488.db2.gz GSDGVJZPPHBDSD-UHFFFAOYSA-N 0 0 393.487 3.288 20 30 GGEDRN CCCS(=O)(=O)Nc1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279504359 1435506932 /nfs/dbraw/zinc/50/69/32/1435506932.db2.gz KIRYWZIBEUGJKI-KRWDZBQOSA-N 0 0 396.472 3.031 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cc(C(F)F)ccc2Cl)n1 ZINC000279513262 1435508174 /nfs/dbraw/zinc/50/81/74/1435508174.db2.gz QPNIVOISWCVMIN-UHFFFAOYSA-N 0 0 394.809 3.095 20 30 GGEDRN C#CCCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000279537715 1435511000 /nfs/dbraw/zinc/51/10/00/1435511000.db2.gz VFWMUYACLRPLPG-OAQYLSRUSA-N 0 0 385.485 3.004 20 30 GGEDRN COc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1NS(C)(=O)=O ZINC000279543819 1435511515 /nfs/dbraw/zinc/51/15/15/1435511515.db2.gz ARTUNCFSSHVOKR-UHFFFAOYSA-N 0 0 387.461 3.120 20 30 GGEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000279545098 1435511689 /nfs/dbraw/zinc/51/16/89/1435511689.db2.gz NPIWHHLOTFTQGX-MOPGFXCFSA-N 0 0 376.435 3.022 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000279545442 1435511827 /nfs/dbraw/zinc/51/18/27/1435511827.db2.gz JONYZACYRSIECD-PBHICJAKSA-N 0 0 397.454 3.040 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000279562872 1435513239 /nfs/dbraw/zinc/51/32/39/1435513239.db2.gz KOLWCPZMONAHCG-OAQYLSRUSA-N 0 0 394.471 3.398 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)NCc2ccc(N(CC)CC)c(F)c2)n1 ZINC000279567377 1435514010 /nfs/dbraw/zinc/51/40/10/1435514010.db2.gz SQEDGTLKQCJQDL-UHFFFAOYSA-N 0 0 385.487 3.233 20 30 GGEDRN C[C@@H]1OCC[C@]1(O)CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000279576431 1435514990 /nfs/dbraw/zinc/51/49/90/1435514990.db2.gz TZEMOXISIDXRSU-RBZFPXEDSA-N 0 0 386.835 3.274 20 30 GGEDRN N#Cc1ccc(OC(F)F)c(NC(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)c1 ZINC000279579541 1435515213 /nfs/dbraw/zinc/51/52/13/1435515213.db2.gz ZMLQJLNIROEXJT-NSHDSACASA-N 0 0 377.351 3.421 20 30 GGEDRN C=CCc1cc(CNc2nnc(SCC(=O)OCC)s2)cc(OC)c1O ZINC000279586943 1435516524 /nfs/dbraw/zinc/51/65/24/1435516524.db2.gz PZSKJZSAXPHMEC-UHFFFAOYSA-N 0 0 395.506 3.248 20 30 GGEDRN CCn1nccc1C1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000279601317 1435517688 /nfs/dbraw/zinc/51/76/88/1435517688.db2.gz YKWKZLBKLPLKHF-UHFFFAOYSA-N 0 0 393.491 3.049 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000279601006 1435517878 /nfs/dbraw/zinc/51/78/78/1435517878.db2.gz NFQKVVQBAPVULB-UHFFFAOYSA-N 0 0 393.487 3.240 20 30 GGEDRN C[C@H]1OCC[C@]12CN(C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)C[C@@H](C)O2 ZINC000279607323 1435518347 /nfs/dbraw/zinc/51/83/47/1435518347.db2.gz RRBRVNAJUMXHLX-CLCXKQKWSA-N 0 0 396.409 3.035 20 30 GGEDRN C[C@@H]1OCC[C@]12CN(C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)C[C@@H](C)O2 ZINC000279607332 1435518356 /nfs/dbraw/zinc/51/83/56/1435518356.db2.gz RRBRVNAJUMXHLX-VCBZYWHSSA-N 0 0 396.409 3.035 20 30 GGEDRN Cc1ccc([C@H]2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)C2)c(C)c1 ZINC000279638283 1435522230 /nfs/dbraw/zinc/52/22/30/1435522230.db2.gz PYXLRAHIQFGBFG-KRWDZBQOSA-N 0 0 377.444 3.160 20 30 GGEDRN N#CCOc1ccccc1C(=O)N1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000279645972 1435523413 /nfs/dbraw/zinc/52/34/13/1435523413.db2.gz JCUXAYPZMZJASX-LJQANCHMSA-N 0 0 378.428 3.327 20 30 GGEDRN CCC[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@@H](O)c1ccccc1 ZINC000279654437 1435524480 /nfs/dbraw/zinc/52/44/80/1435524480.db2.gz RCXIPTHJPFZSJJ-MJGOQNOKSA-N 0 0 396.491 3.072 20 30 GGEDRN CCC[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H](O)c1ccccc1 ZINC000279654436 1435524668 /nfs/dbraw/zinc/52/46/68/1435524668.db2.gz RCXIPTHJPFZSJJ-IEBWSBKVSA-N 0 0 396.491 3.072 20 30 GGEDRN COC(=O)c1nc([C@@H]2CCCN2C(=O)/C=C/c2ccc(C#N)cc2)sc1C ZINC000279656527 1435524945 /nfs/dbraw/zinc/52/49/45/1435524945.db2.gz KGWCWJTWYSHBPI-SCOAYWHSSA-N 0 0 381.457 3.487 20 30 GGEDRN C#CCn1ccc(CN(CC)Cc2csc(-c3ccc4c(c3)OCO4)n2)n1 ZINC000279666269 1435526129 /nfs/dbraw/zinc/52/61/29/1435526129.db2.gz DLRJRVKPOBUDRJ-UHFFFAOYSA-N 0 0 380.473 3.391 20 30 GGEDRN CCOc1cc2c(cc1CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)O[C@H](C)C2 ZINC000279672374 1435527413 /nfs/dbraw/zinc/52/74/13/1435527413.db2.gz FNTQAYANCAWVFH-DNVCBOLYSA-N 0 0 389.455 3.279 20 30 GGEDRN N#Cc1cccc(OC2CCN(CCS(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000279672420 1435527470 /nfs/dbraw/zinc/52/74/70/1435527470.db2.gz FOTFVHUWPAZCIS-UHFFFAOYSA-N 0 0 384.501 3.016 20 30 GGEDRN C#CCn1ccc(CN(CC)CC(=O)Nc2ccccc2S[C@H](C)CC#N)n1 ZINC000279691653 1435530286 /nfs/dbraw/zinc/53/02/86/1435530286.db2.gz HTHONRUBSXGZGV-QGZVFWFLSA-N 0 0 395.532 3.371 20 30 GGEDRN N#Cc1ccc(C[C@H](C#N)C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000279691492 1435530328 /nfs/dbraw/zinc/53/03/28/1435530328.db2.gz IANBPSGOMIYPDQ-QGZVFWFLSA-N 0 0 395.846 3.024 20 30 GGEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000279691487 1435530428 /nfs/dbraw/zinc/53/04/28/1435530428.db2.gz IANBPSGOMIYPDQ-KRWDZBQOSA-N 0 0 395.846 3.024 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2cccc(N3CCC3=O)c2)cc1 ZINC000279694370 1435530870 /nfs/dbraw/zinc/53/08/70/1435530870.db2.gz GJKQYRJFDIAEMQ-KRWDZBQOSA-N 0 0 376.460 3.479 20 30 GGEDRN C#CCn1ccc(CN(CC)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)n1 ZINC000279696143 1435531212 /nfs/dbraw/zinc/53/12/12/1435531212.db2.gz IFLMQNBIQLODGW-UZLBHIALSA-N 0 0 375.900 3.130 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C(=O)NCCC)cc1 ZINC000279699758 1435531657 /nfs/dbraw/zinc/53/16/57/1435531657.db2.gz VVMBNQNAPHUATO-UHFFFAOYSA-N 0 0 393.487 3.370 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCO[C@H](C(C)(C)C)C1 ZINC000279713541 1435534121 /nfs/dbraw/zinc/53/41/21/1435534121.db2.gz OJXZDLRUQZYIEW-PBHICJAKSA-N 0 0 389.521 3.150 20 30 GGEDRN O=C(c1cn(Cc2cccc(F)c2)nn1)N(CCC(F)(F)F)CC(F)(F)F ZINC000279719601 1435534594 /nfs/dbraw/zinc/53/45/94/1435534594.db2.gz ZFSVVBMCBNUVIU-UHFFFAOYSA-N 0 0 398.282 3.422 20 30 GGEDRN CCC[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](O)c1ccccc1 ZINC000279730707 1435535900 /nfs/dbraw/zinc/53/59/00/1435535900.db2.gz YMBHEHTZVYHCCY-ROUUACIJSA-N 0 0 385.851 3.169 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1C[C@H](C)O ZINC000279728725 1435535939 /nfs/dbraw/zinc/53/59/39/1435535939.db2.gz QFKAXRUFLCZWFJ-OWCLPIDISA-N 0 0 389.521 3.029 20 30 GGEDRN COC(=O)c1nc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccc(C#N)cc2)sc1C ZINC000279731096 1435536166 /nfs/dbraw/zinc/53/61/66/1435536166.db2.gz SAZGNIFPNLZMHC-BLLLJJGKSA-N 0 0 399.472 3.241 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NC[C@H]2CCSC2)cc1 ZINC000279731504 1435536283 /nfs/dbraw/zinc/53/62/83/1435536283.db2.gz QLPSBWLLWXNJEY-CQSZACIVSA-N 0 0 381.457 3.158 20 30 GGEDRN CCC[C@H](NC(=O)C1CCN(c2oc(C)nc2C#N)CC1)[C@@H](O)c1ccccc1 ZINC000279753200 1435538363 /nfs/dbraw/zinc/53/83/63/1435538363.db2.gz AQPSPEGZYHQENW-ICSRJNTNSA-N 0 0 396.491 3.090 20 30 GGEDRN C[C@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)CC2(CCOCC2)O1 ZINC000279753711 1435538761 /nfs/dbraw/zinc/53/87/61/1435538761.db2.gz LQTLISWCVWKRSP-KRWDZBQOSA-N 0 0 381.476 3.008 20 30 GGEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1 ZINC000279760151 1435539708 /nfs/dbraw/zinc/53/97/08/1435539708.db2.gz RIJOUIGGONWCAV-RXVVDRJESA-N 0 0 375.428 3.437 20 30 GGEDRN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000279763251 1435539824 /nfs/dbraw/zinc/53/98/24/1435539824.db2.gz RSSNOJUOXYIAJU-JOCHJYFZSA-N 0 0 397.482 3.419 20 30 GGEDRN COc1cc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)ccc1N1CCCC1=O ZINC000279780648 1435541787 /nfs/dbraw/zinc/54/17/87/1435541787.db2.gz UJNZWHZMLWXNCK-KRWDZBQOSA-N 0 0 388.427 3.015 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1 ZINC000279780771 1435541928 /nfs/dbraw/zinc/54/19/28/1435541928.db2.gz WBKNFBSIMHJFEL-IBGZPJMESA-N 0 0 375.490 3.055 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)NCCc3c[nH]c4cc(F)ccc34)CC2)o1 ZINC000279783411 1435542671 /nfs/dbraw/zinc/54/26/71/1435542671.db2.gz LONXJEUCMYLLTB-UHFFFAOYSA-N 0 0 395.438 3.050 20 30 GGEDRN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)Nc3ccc(CC#N)cc3)n[nH]2)C1 ZINC000279819586 1435547067 /nfs/dbraw/zinc/54/70/67/1435547067.db2.gz YCEOTFZTLJRYAM-HNNXBMFYSA-N 0 0 395.463 3.452 20 30 GGEDRN COc1ccc(-n2c(C)nnc2S[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000279818113 1435547158 /nfs/dbraw/zinc/54/71/58/1435547158.db2.gz ASRVNKGXRRYFBA-AWEZNQCLSA-N 0 0 399.520 3.408 20 30 GGEDRN C#CCn1ccc(CN(CC)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)n1 ZINC000279820622 1435547268 /nfs/dbraw/zinc/54/72/68/1435547268.db2.gz YNHBHHJUXVCFMJ-UHFFFAOYSA-N 0 0 396.825 3.232 20 30 GGEDRN CC(=O)N(Cc1ccc(NS(=O)(=O)c2ccccc2CC#N)cc1)C(C)C ZINC000279835772 1435548907 /nfs/dbraw/zinc/54/89/07/1435548907.db2.gz CIFFBWCJIYULAO-UHFFFAOYSA-N 0 0 385.489 3.310 20 30 GGEDRN CCCN1c2ccc(NS(=O)(=O)c3ccccc3CC#N)cc2CCC1=O ZINC000279839390 1435549487 /nfs/dbraw/zinc/54/94/87/1435549487.db2.gz CTGFOSGCOHXQHU-UHFFFAOYSA-N 0 0 383.473 3.243 20 30 GGEDRN CCOc1cc(N2CCN(C(=O)c3ccc(CC#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC000279870511 1435555956 /nfs/dbraw/zinc/55/59/56/1435555956.db2.gz WARDTRJMTHLSIR-UHFFFAOYSA-N 0 0 394.431 3.022 20 30 GGEDRN COC(=O)c1nc([C@H]2CCCN2C(=O)NCc2cccc(C#N)c2)sc1C ZINC000279870733 1435555963 /nfs/dbraw/zinc/55/59/63/1435555963.db2.gz HNHNSVCYSIBPRU-OAHLLOKOSA-N 0 0 384.461 3.157 20 30 GGEDRN Cn1c(CC#N)nnc1SC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000279876155 1435556602 /nfs/dbraw/zinc/55/66/02/1435556602.db2.gz GWMCBVFIQDDKIR-CQSZACIVSA-N 0 0 377.473 3.142 20 30 GGEDRN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279891284 1435558764 /nfs/dbraw/zinc/55/87/64/1435558764.db2.gz ZFZCKJSVVWUXMF-LPHOPBHVSA-N 0 0 391.431 3.080 20 30 GGEDRN COc1ccc(OC)c(CCCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000279896924 1435559509 /nfs/dbraw/zinc/55/95/09/1435559509.db2.gz DEVRWZXXGFYQOF-LJQANCHMSA-N 0 0 377.444 3.007 20 30 GGEDRN C[C@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@]2(CCOC2)O1 ZINC000279898852 1435559813 /nfs/dbraw/zinc/55/98/13/1435559813.db2.gz ATIMULYEYADJGD-SBUREZEXSA-N 0 0 392.455 3.157 20 30 GGEDRN Cc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)N2CCOCC2)o1 ZINC000279909691 1435561701 /nfs/dbraw/zinc/56/17/01/1435561701.db2.gz LUFVPGFQNMITBF-IBGZPJMESA-N 0 0 381.476 3.193 20 30 GGEDRN C[C@@H](Nc1cccc(N2CCC2=O)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000279914161 1435562056 /nfs/dbraw/zinc/56/20/56/1435562056.db2.gz VVZXWZDTPWDFCW-OAHLLOKOSA-N 0 0 380.423 3.310 20 30 GGEDRN N#Cc1ccc(C[C@H](C#N)C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1 ZINC000279918438 1435562797 /nfs/dbraw/zinc/56/27/97/1435562797.db2.gz FHRMVBLZUIAAOL-MJGOQNOKSA-N 0 0 378.863 3.289 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(CC#N)n1C ZINC000279917814 1435562803 /nfs/dbraw/zinc/56/28/03/1435562803.db2.gz KKNSJWKKUTWVQT-LBPRGKRZSA-N 0 0 386.506 3.006 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3cc(-c4ncc[nH]4)ccc3C)CC2)o1 ZINC000279924726 1435564026 /nfs/dbraw/zinc/56/40/26/1435564026.db2.gz HNOPTOMGDXXLBV-UHFFFAOYSA-N 0 0 390.447 3.408 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H](c4ccccc4C)C3)CC2)o1 ZINC000279927222 1435564815 /nfs/dbraw/zinc/56/48/15/1435564815.db2.gz XTADBZNYNUMLTH-SFHVURJKSA-N 0 0 378.476 3.396 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GGEDRN Cn1nc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1NCc1cccc(C#N)c1 ZINC000280015027 1435577029 /nfs/dbraw/zinc/57/70/29/1435577029.db2.gz JGQSMKGZZLPGDB-UHFFFAOYSA-N 0 0 396.495 3.413 20 30 GGEDRN CCc1cc2nncn2c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n1 ZINC000280020618 1435577928 /nfs/dbraw/zinc/57/79/28/1435577928.db2.gz UWUCLEIENIIILT-CYBMUJFWSA-N 0 0 398.467 3.253 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)n1 ZINC000280024934 1435578735 /nfs/dbraw/zinc/57/87/35/1435578735.db2.gz MXFBDVFCGVZPCL-OALUTQOASA-N 0 0 386.883 3.231 20 30 GGEDRN CS(=O)(=O)c1ccc(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)cc1 ZINC000280026062 1435578923 /nfs/dbraw/zinc/57/89/23/1435578923.db2.gz KODOWUQMZFUPCN-UHFFFAOYSA-N 0 0 394.500 3.500 20 30 GGEDRN CCc1cc2nncn2c(SCC(=O)N(CCC#N)c2cccc(C)c2C)n1 ZINC000280034828 1435580722 /nfs/dbraw/zinc/58/07/22/1435580722.db2.gz WITHAIDBXLHJBX-UHFFFAOYSA-N 0 0 394.504 3.343 20 30 GGEDRN C[C@@H](c1ccsc1)N1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280039330 1435581285 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Cc1nc(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)ccc1C#N ZINC000280089901 1435590363 /nfs/dbraw/zinc/59/03/63/1435590363.db2.gz QSFOIKBFDIJUJD-GUYCJALGSA-N 0 0 375.350 3.229 20 30 GGEDRN CCSCc1ccccc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000280096798 1435591815 /nfs/dbraw/zinc/59/18/15/1435591815.db2.gz MCJACFCYSJKBSD-HXUWFJFHSA-N 0 0 393.512 3.342 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000280109271 1435593619 /nfs/dbraw/zinc/59/36/19/1435593619.db2.gz AWIMSQTUKLAKJI-BEFAXECRSA-N 0 0 382.420 3.098 20 30 GGEDRN COc1ccc(C)cc1[C@H](C)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000280130635 1435597198 /nfs/dbraw/zinc/59/71/98/1435597198.db2.gz DKEJEOMMXZJJNQ-AWEZNQCLSA-N 0 0 382.464 3.266 20 30 GGEDRN COc1ccccc1[C@H]1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000280133979 1435597387 /nfs/dbraw/zinc/59/73/87/1435597387.db2.gz MTBWQJFEXYAKRM-KRWDZBQOSA-N 0 0 394.475 3.096 20 30 GGEDRN N#CCc1ccc(OCc2cccc(NC(=O)N3CC(=O)N(C4CC4)C3)c2)cc1 ZINC000280132854 1435597544 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/nfs/dbraw/zinc/80/23/12/1435802312.db2.gz HFCJOTCXJABWLW-FOIQADDNSA-N 0 0 384.432 3.008 20 30 GGEDRN N#Cc1ccc(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1C(F)(F)F ZINC000281297020 1435802846 /nfs/dbraw/zinc/80/28/46/1435802846.db2.gz HONCNXNPQYJEJN-ZBFHGGJFSA-N 0 0 392.337 3.329 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000281306850 1435803205 /nfs/dbraw/zinc/80/32/05/1435803205.db2.gz IFQVLTGLXUYEPJ-GJYPPUQNSA-N 0 0 376.522 3.153 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000281306838 1435803271 /nfs/dbraw/zinc/80/32/71/1435803271.db2.gz IFQVLTGLXUYEPJ-BXWFABGCSA-N 0 0 376.522 3.153 20 30 GGEDRN CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000281318301 1435803623 /nfs/dbraw/zinc/80/36/23/1435803623.db2.gz UTBPFFVRLIXQSU-HXUWFJFHSA-N 0 0 386.455 3.285 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000281327937 1435803992 /nfs/dbraw/zinc/80/39/92/1435803992.db2.gz CJDHFGKBOHFKRF-JCNLHEQBSA-N 0 0 381.407 3.097 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000281330859 1435804136 /nfs/dbraw/zinc/80/41/36/1435804136.db2.gz COKPLGOBCHJICP-FXAWDEMLSA-N 0 0 383.492 3.333 20 30 GGEDRN C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000281337695 1435804337 /nfs/dbraw/zinc/80/43/37/1435804337.db2.gz COCXNLOCFGBKRA-GOSISDBHSA-N 0 0 391.471 3.299 20 30 GGEDRN C=CC[C@@H](CC)NC(=O)N1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000281345889 1435804877 /nfs/dbraw/zinc/80/48/77/1435804877.db2.gz MGAJESDIWIRZKJ-HZPDHXFCSA-N 0 0 380.558 3.423 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccncc2)c(C)c1 ZINC000281355364 1435805184 /nfs/dbraw/zinc/80/51/84/1435805184.db2.gz DUMMWZLYXGFIJP-OXQOHEQNSA-N 0 0 395.459 3.218 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cccc(COCCOCC)c1 ZINC000281355396 1435805211 /nfs/dbraw/zinc/80/52/11/1435805211.db2.gz DUXZXQNILZRLAS-UXHICEINSA-N 0 0 376.497 3.020 20 30 GGEDRN Cc1cc(NC(=O)C(=O)N2CC=C(c3cccc(Cl)c3)CC2)nn1CCC#N ZINC000281357845 1435805408 /nfs/dbraw/zinc/80/54/08/1435805408.db2.gz ZGOTUOQWVVILLS-UHFFFAOYSA-N 0 0 397.866 3.013 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(F)cc2OCC(F)(F)F)C1=O ZINC000281358080 1435805467 /nfs/dbraw/zinc/80/54/67/1435805467.db2.gz LWZHQZUEFKTTHJ-ZDUSSCGKSA-N 0 0 389.349 3.017 20 30 GGEDRN CC(C)N(C)S(=O)(=O)c1ccc(NCCCC2(C#N)CCOCC2)cc1 ZINC000281361409 1435805535 /nfs/dbraw/zinc/80/55/35/1435805535.db2.gz XRRUJLRONYIWIL-UHFFFAOYSA-N 0 0 379.526 3.228 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O ZINC000281369004 1435805995 /nfs/dbraw/zinc/80/59/95/1435805995.db2.gz KZPZRMUMRMKOKJ-YCRPNKLZSA-N 0 0 385.460 3.140 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC000281371822 1435806160 /nfs/dbraw/zinc/80/61/60/1435806160.db2.gz LCGLJXPLXQVDJG-GCJKJVERSA-N 0 0 395.503 3.254 20 30 GGEDRN CSc1cccc(F)c1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000281377003 1435806228 /nfs/dbraw/zinc/80/62/28/1435806228.db2.gz OCBBBPJQGTUCBB-MRXNPFEDSA-N 0 0 383.448 3.345 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)C1=O ZINC000281385923 1435806641 /nfs/dbraw/zinc/80/66/41/1435806641.db2.gz UFJARJCTJJWGEB-MRXNPFEDSA-N 0 0 387.871 3.085 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000281386646 1435806737 /nfs/dbraw/zinc/80/67/37/1435806737.db2.gz NAFHBTVYUSLVMO-VCBZYWHSSA-N 0 0 375.494 3.493 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000281390478 1435806819 /nfs/dbraw/zinc/80/68/19/1435806819.db2.gz GUAGKXYVUREDRA-AEFFLSMTSA-N 0 0 399.516 3.463 20 30 GGEDRN N#CC1(CCCNc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)CCOCC1 ZINC000281389358 1435806843 /nfs/dbraw/zinc/80/68/43/1435806843.db2.gz ZKYFMZUYGPGGHA-GOSISDBHSA-N 0 0 385.508 3.044 20 30 GGEDRN C=CCN1CC[C@@H](N(C)Cc2csc(COc3ccc(F)cc3)n2)C1=O ZINC000281392951 1435807023 /nfs/dbraw/zinc/80/70/23/1435807023.db2.gz PWFRFFTZHIYDAI-QGZVFWFLSA-N 0 0 375.469 3.080 20 30 GGEDRN CC(C)(C#N)c1ccc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)cc1 ZINC000281395699 1435807124 /nfs/dbraw/zinc/80/71/24/1435807124.db2.gz ZEYICXKMKCINAM-FQEVSTJZSA-N 0 0 391.471 3.337 20 30 GGEDRN C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)N1CCCC1 ZINC000281420189 1435808231 /nfs/dbraw/zinc/80/82/31/1435808231.db2.gz QILPUHGWDOAOLI-HNNXBMFYSA-N 0 0 378.432 3.483 20 30 GGEDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ncccc2OCCCC#N)c1 ZINC000281420335 1435808233 /nfs/dbraw/zinc/80/82/33/1435808233.db2.gz COBPQXFOGPPYMK-UHFFFAOYSA-N 0 0 384.392 3.388 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)C1=O ZINC000281423729 1435808237 /nfs/dbraw/zinc/80/82/37/1435808237.db2.gz QHENCAJBIZQPAB-CQSZACIVSA-N 0 0 393.365 3.219 20 30 GGEDRN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cc(C)nn1-c1ccc(C(F)(F)F)cn1 ZINC000281429595 1435808505 /nfs/dbraw/zinc/80/85/05/1435808505.db2.gz LAYNMIZRAXJXLP-CYBMUJFWSA-N 0 0 395.385 3.004 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)c2c(C)onc2-c2c(F)cccc2Cl)C1=O ZINC000281430422 1435808527 /nfs/dbraw/zinc/80/85/27/1435808527.db2.gz QSJSGYQEIJDAHE-AWEZNQCLSA-N 0 0 391.830 3.301 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000281433209 1435808739 /nfs/dbraw/zinc/80/87/39/1435808739.db2.gz NRLUNZGZKWZCAM-GJYPPUQNSA-N 0 0 389.471 3.167 20 30 GGEDRN C#C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)C ZINC000281434849 1435808791 /nfs/dbraw/zinc/80/87/91/1435808791.db2.gz FNGDSCJLMKNJLZ-GFCCVEGCSA-N 0 0 380.288 3.437 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000281435528 1435808806 /nfs/dbraw/zinc/80/88/06/1435808806.db2.gz NWTOIIVNRGUSER-LIRRHRJNSA-N 0 0 386.473 3.179 20 30 GGEDRN C=C(C)[C@@H](NCc1c(C)nn(CCS(C)(=O)=O)c1C)c1ccc(F)c(F)c1 ZINC000281432957 1435808817 /nfs/dbraw/zinc/80/88/17/1435808817.db2.gz YWNRKUGIJPEWKD-LJQANCHMSA-N 0 0 397.491 3.230 20 30 GGEDRN C=CCN1CC[C@H](N(C)Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1=O ZINC000281434911 1435808820 /nfs/dbraw/zinc/80/88/20/1435808820.db2.gz STDLCSUEGGTZIH-INIZCTEOSA-N 0 0 394.500 3.283 20 30 GGEDRN C=CCN1CC[C@@H](N(C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C1=O ZINC000281441027 1435809019 /nfs/dbraw/zinc/80/90/19/1435809019.db2.gz TYJGVWBJUCCVFU-MRXNPFEDSA-N 0 0 394.500 3.283 20 30 GGEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000281443296 1435809103 /nfs/dbraw/zinc/80/91/03/1435809103.db2.gz MHWNYPGDYMILOS-UHFFFAOYSA-N 0 0 378.904 3.128 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000281442831 1435809154 /nfs/dbraw/zinc/80/91/54/1435809154.db2.gz ODTBQFYIVAROIG-WBAXXEDZSA-N 0 0 378.900 3.192 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccccc1CS(=O)(=O)c1ccccc1 ZINC000281447374 1435809335 /nfs/dbraw/zinc/80/93/35/1435809335.db2.gz OJQKNQOHTCJUQG-DYESRHJHSA-N 0 0 399.512 3.372 20 30 GGEDRN CO[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)[C@H](C)C1 ZINC000281451502 1435809512 /nfs/dbraw/zinc/80/95/12/1435809512.db2.gz AHKZHXYBXDTTOX-UZLBHIALSA-N 0 0 394.519 3.463 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)Nc2cccc(Cl)c2OCCOCC)C1=O ZINC000281457103 1435809596 /nfs/dbraw/zinc/80/95/96/1435809596.db2.gz SWBBWPQLBCNARD-MRXNPFEDSA-N 0 0 395.887 3.006 20 30 GGEDRN CC(C)(C)OC(=O)NC[C@H](NC(=O)Cc1cccc(OCC#N)c1)C(C)(C)C ZINC000281456461 1435809619 /nfs/dbraw/zinc/80/96/19/1435809619.db2.gz FHKHEQARZRFTNU-KRWDZBQOSA-N 0 0 389.496 3.187 20 30 GGEDRN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000281464200 1435810016 /nfs/dbraw/zinc/81/00/16/1435810016.db2.gz NYVLUSSHBBPHRS-GFCCVEGCSA-N 0 0 380.370 3.301 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)Cc2csc(-c3ccccc3Cl)n2)C1=O ZINC000281470348 1435810294 /nfs/dbraw/zinc/81/02/94/1435810294.db2.gz UDLXZYLEVGYINL-MRXNPFEDSA-N 0 0 389.908 3.251 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)CSc1nccn1-c1cccc(OC)c1 ZINC000281477178 1435810474 /nfs/dbraw/zinc/81/04/74/1435810474.db2.gz PPFSBJGQYDQCET-HNAYVOBHSA-N 0 0 387.505 3.070 20 30 GGEDRN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000281481922 1435810672 /nfs/dbraw/zinc/81/06/72/1435810672.db2.gz PFACJLHPJWBMLI-ZACQAIPSSA-N 0 0 385.508 3.214 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000281483385 1435810729 /nfs/dbraw/zinc/81/07/29/1435810729.db2.gz PWVHWVSPBSBDJA-GUYCJALGSA-N 0 0 392.912 3.110 20 30 GGEDRN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000281481920 1435810765 /nfs/dbraw/zinc/81/07/65/1435810765.db2.gz PFACJLHPJWBMLI-ULQDDVLXSA-N 0 0 385.508 3.214 20 30 GGEDRN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1-c1nc(C)no1 ZINC000281491787 1435811065 /nfs/dbraw/zinc/81/10/65/1435811065.db2.gz PZDNMNKVZLGEOR-GFCCVEGCSA-N 0 0 396.369 3.473 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000281491521 1435811091 /nfs/dbraw/zinc/81/10/91/1435811091.db2.gz IRPQOXYIGHKSBB-JBACZVJFSA-N 0 0 388.508 3.367 20 30 GGEDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000281498923 1435811263 /nfs/dbraw/zinc/81/12/63/1435811263.db2.gz VVAOWXRJQVADRB-UHFFFAOYSA-N 0 0 384.392 3.154 20 30 GGEDRN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000281501677 1435811567 /nfs/dbraw/zinc/81/15/67/1435811567.db2.gz QQZSVUINQRGKLB-CABCVRRESA-N 0 0 380.872 3.307 20 30 GGEDRN C=CC[C@@H](CC)NC(=O)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1 ZINC000281510887 1435811756 /nfs/dbraw/zinc/81/17/56/1435811756.db2.gz XJRGMJPLBIQFGW-OAHLLOKOSA-N 0 0 392.525 3.414 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCc2[nH]c3ccc(C(=O)OC)cc3c2C1 ZINC000281509737 1435811792 /nfs/dbraw/zinc/81/17/92/1435811792.db2.gz JYRQILCWOKDUDP-YWZLYKJASA-N 0 0 397.475 3.003 20 30 GGEDRN C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C ZINC000281517123 1435811998 /nfs/dbraw/zinc/81/19/98/1435811998.db2.gz SCAXYSYUOMTLSE-CRAIPNDOSA-N 0 0 385.508 3.277 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)Nc2cccc(COCc3ccco3)c2)C1=O ZINC000281527127 1435812398 /nfs/dbraw/zinc/81/23/98/1435812398.db2.gz YKKBLKXPQONPFU-LJQANCHMSA-N 0 0 383.448 3.247 20 30 GGEDRN C#CCN(CC#N)C(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)cc1OC ZINC000281542806 1435812798 /nfs/dbraw/zinc/81/27/98/1435812798.db2.gz NTBCTIOABDIEQA-UHFFFAOYSA-N 0 0 377.828 3.295 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)C1=O ZINC000281541113 1435812836 /nfs/dbraw/zinc/81/28/36/1435812836.db2.gz YHZMPIUNBYKISP-HNNXBMFYSA-N 0 0 379.382 3.056 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000281543483 1435812967 /nfs/dbraw/zinc/81/29/67/1435812967.db2.gz SHWHLFUTTGPAEX-WAIKUNEKSA-N 0 0 376.456 3.252 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)C1=O ZINC000281546312 1435813084 /nfs/dbraw/zinc/81/30/84/1435813084.db2.gz ZUCLVXZXUPBCFF-AWEZNQCLSA-N 0 0 375.517 3.186 20 30 GGEDRN C#CCOc1cccc(NC(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000281556936 1435813461 /nfs/dbraw/zinc/81/34/61/1435813461.db2.gz XZPQAXVHKBDTOY-QGZVFWFLSA-N 0 0 377.444 3.215 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H](c4cccc(C)c4)C3)CC2)o1 ZINC000281560433 1435813564 /nfs/dbraw/zinc/81/35/64/1435813564.db2.gz LCSXJQQSBNBBLK-LJQANCHMSA-N 0 0 378.476 3.396 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC000281569362 1435813982 /nfs/dbraw/zinc/81/39/82/1435813982.db2.gz UJSLCKRASUQLLS-PKOBYXMFSA-N 0 0 384.501 3.389 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCC(=O)CCC(=O)c1ccc(C)s1 ZINC000281569295 1435813992 /nfs/dbraw/zinc/81/39/92/1435813992.db2.gz UIZKNXWBRYGBIT-QRWLVFNGSA-N 0 0 377.506 3.466 20 30 GGEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(C)C ZINC000281575039 1435814207 /nfs/dbraw/zinc/81/42/07/1435814207.db2.gz QBEQEOAXYLOKRW-HXUWFJFHSA-N 0 0 389.455 3.044 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000281584477 1435814582 /nfs/dbraw/zinc/81/45/82/1435814582.db2.gz VEFQCGPZBSGDCS-KBXCAEBGSA-N 0 0 375.856 3.420 20 30 GGEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)C(C)C ZINC000281584514 1435814587 /nfs/dbraw/zinc/81/45/87/1435814587.db2.gz QVRLKXVJMUKZFZ-GFCCVEGCSA-N 0 0 392.324 3.062 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C ZINC000281586522 1435814731 /nfs/dbraw/zinc/81/47/31/1435814731.db2.gz VHOKAUYMHPSWSY-UZLBHIALSA-N 0 0 384.480 3.074 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)c2ccccc2SCc2c(C)noc2C)C1=O ZINC000281595637 1435815031 /nfs/dbraw/zinc/81/50/31/1435815031.db2.gz CWWWINOBBNEEJX-GOSISDBHSA-N 0 0 399.516 3.443 20 30 GGEDRN C#CCN(CC#N)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000281599699 1435815158 /nfs/dbraw/zinc/81/51/58/1435815158.db2.gz VISSWMIBKFGPKN-GMAHTHKFSA-N 0 0 385.467 3.152 20 30 GGEDRN C#CCN(CC#N)C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC000281637680 1435816674 /nfs/dbraw/zinc/81/66/74/1435816674.db2.gz ZYELTRWWKJMQRN-UHFFFAOYSA-N 0 0 394.271 3.168 20 30 GGEDRN C#C[C@@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(C)C ZINC000281638922 1435816683 /nfs/dbraw/zinc/81/66/83/1435816683.db2.gz WLCYJFWEIIPOFE-OAQYLSRUSA-N 0 0 389.455 3.044 20 30 GGEDRN 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HLFKHCIXTCQBQJ-GCJKJVERSA-N 0 0 398.507 3.044 20 30 GGEDRN C=CCn1c(-c2c[nH]c3ccccc32)nnc1N1CCC(C(=O)NCCC)CC1 ZINC000282211175 1435838582 /nfs/dbraw/zinc/83/85/82/1435838582.db2.gz HUKQNJBMCWRADC-UHFFFAOYSA-N 0 0 392.507 3.355 20 30 GGEDRN COc1cc(C#N)ccc1Oc1ccc(NS(=O)(=O)C[C@H](C)OC)cc1 ZINC000282220435 1435838898 /nfs/dbraw/zinc/83/88/98/1435838898.db2.gz NXSDOKJCGKUZHD-ZDUSSCGKSA-N 0 0 376.434 3.136 20 30 GGEDRN C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccc(C)o1 ZINC000282218527 1435838938 /nfs/dbraw/zinc/83/89/38/1435838938.db2.gz IJWLSJSMGCDMNL-UHFFFAOYSA-N 0 0 393.495 3.176 20 30 GGEDRN C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000282222927 1435839041 /nfs/dbraw/zinc/83/90/41/1435839041.db2.gz ITOCQOQZCNMEOW-IBGZPJMESA-N 0 0 397.523 3.389 20 30 GGEDRN C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC000282226671 1435839224 /nfs/dbraw/zinc/83/92/24/1435839224.db2.gz IZDAVFFTMWGDQX-UHFFFAOYSA-N 0 0 390.491 3.126 20 30 GGEDRN C=CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 ZINC000282232943 1435839362 /nfs/dbraw/zinc/83/93/62/1435839362.db2.gz JONWMHRJJKUMRV-DLBZAZTESA-N 0 0 382.512 3.047 20 30 GGEDRN C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CC)C1 ZINC000282234985 1435839462 /nfs/dbraw/zinc/83/94/62/1435839462.db2.gz JQTHMALRHOHVGI-QGZVFWFLSA-N 0 0 381.528 3.265 20 30 GGEDRN C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC000282245364 1435839986 /nfs/dbraw/zinc/83/99/86/1435839986.db2.gz KIECDBWHZBMJPY-ROUUACIJSA-N 0 0 397.523 3.313 20 30 GGEDRN C=CCn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 ZINC000282249868 1435840080 /nfs/dbraw/zinc/84/00/80/1435840080.db2.gz KRFDAIRPWJIMMN-UHFFFAOYSA-N 0 0 378.480 3.221 20 30 GGEDRN C=CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 ZINC000282250214 1435840088 /nfs/dbraw/zinc/84/00/88/1435840088.db2.gz KTYFIKVCRIQOLS-UHFFFAOYSA-N 0 0 382.512 3.001 20 30 GGEDRN C=CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000282250014 1435840128 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C=CCn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000282268072 1435840921 /nfs/dbraw/zinc/84/09/21/1435840921.db2.gz LZVCYXMVAJYALH-UHFFFAOYSA-N 0 0 390.491 3.166 20 30 GGEDRN C=CCn1c([C@@H](C)OCCOC)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC000282268058 1435840975 /nfs/dbraw/zinc/84/09/75/1435840975.db2.gz LZTBECXGLKICME-GFCCVEGCSA-N 0 0 384.402 3.242 20 30 GGEDRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H](C(N)=O)C1 ZINC000282272360 1435841108 /nfs/dbraw/zinc/84/11/08/1435841108.db2.gz MIJFNHPWDXMRMH-KRWDZBQOSA-N 0 0 397.523 3.177 20 30 GGEDRN C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC000282278397 1435841361 /nfs/dbraw/zinc/84/13/61/1435841361.db2.gz MTCVJFSYBOWWOP-MSOLQXFVSA-N 0 0 397.523 3.183 20 30 GGEDRN C=CCn1c(COc2ccccc2OC)nnc1N(C)CCC1CCOCC1 ZINC000282280436 1435841418 /nfs/dbraw/zinc/84/14/18/1435841418.db2.gz MYKDZUTYPHFZOI-UHFFFAOYSA-N 0 0 386.496 3.305 20 30 GGEDRN C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](C(N)=O)C1 ZINC000282282108 1435841597 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CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000282562190 1435851724 /nfs/dbraw/zinc/85/17/24/1435851724.db2.gz UJKPYFWITTWLKF-UHFFFAOYSA-N 0 0 394.431 3.276 20 30 GGEDRN C=CCn1c(Cc2ccccn2)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000282562791 1435851793 /nfs/dbraw/zinc/85/17/93/1435851793.db2.gz JVLXBCWIQQDDNB-YJBOKZPZSA-N 0 0 381.505 3.478 20 30 GGEDRN Cc1cc(F)c(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1[N+](=O)[O-] ZINC000282575220 1435852191 /nfs/dbraw/zinc/85/21/91/1435852191.db2.gz ZDZITXGXEXEQCK-UHFFFAOYSA-N 0 0 396.382 3.145 20 30 GGEDRN CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC000282574829 1435852215 /nfs/dbraw/zinc/85/22/15/1435852215.db2.gz AERTYLIFWBNDRH-UHFFFAOYSA-N 0 0 392.438 3.419 20 30 GGEDRN C=CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000282578953 1435852429 /nfs/dbraw/zinc/85/24/29/1435852429.db2.gz LAXBSKXECQLMOL-UHFFFAOYSA-N 0 0 382.512 3.125 20 30 GGEDRN C=CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000282595912 1435853005 /nfs/dbraw/zinc/85/30/05/1435853005.db2.gz MHDSCRFBDHKLGM-HXUWFJFHSA-N 0 0 391.475 3.036 20 30 GGEDRN C=CCn1c(-c2cccc3ccccc32)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC000282600279 1435853222 /nfs/dbraw/zinc/85/32/22/1435853222.db2.gz MOOARUVPRAKGCL-GOSISDBHSA-N 0 0 387.487 3.485 20 30 GGEDRN C=CCn1c(-c2cccc3ccccc32)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC000282600289 1435853228 /nfs/dbraw/zinc/85/32/28/1435853228.db2.gz MOOARUVPRAKGCL-SFHVURJKSA-N 0 0 387.487 3.485 20 30 GGEDRN N#CCc1ccc(NC(=O)NC[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)cc1 ZINC000282604418 1435853467 /nfs/dbraw/zinc/85/34/67/1435853467.db2.gz ZLRPJYGAPJTXIX-SFHVURJKSA-N 0 0 376.416 3.002 20 30 GGEDRN C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OCCC(C)C)CC1 ZINC000282614585 1435853657 /nfs/dbraw/zinc/85/36/57/1435853657.db2.gz NSFGILKTHHTERF-UHFFFAOYSA-N 0 0 398.511 3.143 20 30 GGEDRN C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(Cn2ccnn2)CC1 ZINC000282621444 1435854017 /nfs/dbraw/zinc/85/40/17/1435854017.db2.gz OHGANUQKWXVYNY-UHFFFAOYSA-N 0 0 389.463 3.385 20 30 GGEDRN C=CCn1c(-c2ccc(C)s2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000282625580 1435854141 /nfs/dbraw/zinc/85/41/41/1435854141.db2.gz OQDMHTPPVVWBGY-GFCCVEGCSA-N 0 0 399.442 3.006 20 30 GGEDRN C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)CC1 ZINC000282627519 1435854260 /nfs/dbraw/zinc/85/42/60/1435854260.db2.gz OTELPFZLCHGFGQ-UHFFFAOYSA-N 0 0 391.928 3.078 20 30 GGEDRN C=CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000282627199 1435854268 /nfs/dbraw/zinc/85/42/68/1435854268.db2.gz OQQPEZGBJXUCDP-XMSQKQJNSA-N 0 0 398.507 3.044 20 30 GGEDRN C=CCn1c(COc2ccccc2OC)nnc1N(C)Cc1cnc(C)s1 ZINC000282629642 1435854377 /nfs/dbraw/zinc/85/43/77/1435854377.db2.gz OWCOGRVRLSPCQD-UHFFFAOYSA-N 0 0 385.493 3.453 20 30 GGEDRN O=C(NCC(F)(F)C(F)F)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000282633556 1435854440 /nfs/dbraw/zinc/85/44/40/1435854440.db2.gz KELWAQFHGFLNTQ-UHFFFAOYSA-N 0 0 385.243 3.308 20 30 GGEDRN C#CCCOc1ccc(CNc2cccc(N3C(=O)CCNC3=O)c2C)cc1 ZINC000282638161 1435854682 /nfs/dbraw/zinc/85/46/82/1435854682.db2.gz KFVAWNMGQZSZMW-UHFFFAOYSA-N 0 0 377.444 3.456 20 30 GGEDRN C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2cccnn2)CC1 ZINC000282637760 1435854719 /nfs/dbraw/zinc/85/47/19/1435854719.db2.gz PNPKPRNNGJEDTE-IBGZPJMESA-N 0 0 389.507 3.123 20 30 GGEDRN C=CCn1c(CSc2ccccc2OC)nnc1N(C)CCn1cccn1 ZINC000282641645 1435854819 /nfs/dbraw/zinc/85/48/19/1435854819.db2.gz PUJBGILOIBOUDP-UHFFFAOYSA-N 0 0 384.509 3.098 20 30 GGEDRN C=CCn1c(-c2cccnc2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000282651457 1435855132 /nfs/dbraw/zinc/85/51/32/1435855132.db2.gz QMLYJTPRCISHAN-WBVHZDCISA-N 0 0 398.511 3.266 20 30 GGEDRN C=CCN(Cc1noc(CNC(=O)OC(C)(C)C)n1)Cc1cccc(C#N)c1 ZINC000282650563 1435855166 /nfs/dbraw/zinc/85/51/66/1435855166.db2.gz LCHSQEXGTCFBDH-UHFFFAOYSA-N 0 0 383.452 3.154 20 30 GGEDRN C=CCn1c(-c2cccnc2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000282651456 1435855169 /nfs/dbraw/zinc/85/51/69/1435855169.db2.gz QMLYJTPRCISHAN-RDJZCZTQSA-N 0 0 398.511 3.266 20 30 GGEDRN CC(=O)NCCN(Cc1ccsc1)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000282653012 1435855239 /nfs/dbraw/zinc/85/52/39/1435855239.db2.gz MSZHDXHLXNYYSR-CQSZACIVSA-N 0 0 386.477 3.209 20 30 GGEDRN C=CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CCC1CCOCC1 ZINC000282657677 1435855364 /nfs/dbraw/zinc/85/53/64/1435855364.db2.gz QZLIFPLSACXLOV-UHFFFAOYSA-N 0 0 381.480 3.168 20 30 GGEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(C)(C)N1CCOCC1 ZINC000282668889 1435855713 /nfs/dbraw/zinc/85/57/13/1435855713.db2.gz IQNPMDOWLYDEDX-UHFFFAOYSA-N 0 0 380.448 3.103 20 30 GGEDRN C=CCc1cc(CNc2cccc(N3C(=O)CCNC3=O)c2C)cc(OC)c1O ZINC000282668306 1435855764 /nfs/dbraw/zinc/85/57/64/1435855764.db2.gz MNVJIIIXTGRVBM-UHFFFAOYSA-N 0 0 395.459 3.496 20 30 GGEDRN C=CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2cccs2)CC1 ZINC000282683893 1435856367 /nfs/dbraw/zinc/85/63/67/1435856367.db2.gz SVYOFNHVKOSLRY-UHFFFAOYSA-N 0 0 383.477 3.056 20 30 GGEDRN C=CCn1c(CNC(=O)c2ccco2)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC000282686486 1435856465 /nfs/dbraw/zinc/85/64/65/1435856465.db2.gz TWYOSRIAOPHHQU-GOSISDBHSA-N 0 0 391.475 3.056 20 30 GGEDRN C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(CNC(C)=O)CC1 ZINC000282688798 1435856583 /nfs/dbraw/zinc/85/65/83/1435856583.db2.gz UAIJLVONTVHGLD-UHFFFAOYSA-N 0 0 379.464 3.230 20 30 GGEDRN CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccccc2C#N)CC1 ZINC000282688058 1435856617 /nfs/dbraw/zinc/85/66/17/1435856617.db2.gz ACACIGXMEDVZNX-UHFFFAOYSA-N 0 0 383.459 3.035 20 30 GGEDRN CCc1cnc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC)s1 ZINC000282694903 1435856824 /nfs/dbraw/zinc/85/68/24/1435856824.db2.gz ANZVLHJWDLUWCN-UHFFFAOYSA-N 0 0 382.493 3.404 20 30 GGEDRN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 ZINC000282703686 1435857156 /nfs/dbraw/zinc/85/71/56/1435857156.db2.gz ACWQJIQSUJPRQE-SFHVURJKSA-N 0 0 396.539 3.357 20 30 GGEDRN C=CCn1c(-c2ccccn2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000282708404 1435857309 /nfs/dbraw/zinc/85/73/09/1435857309.db2.gz VMIXJBWAEILJGJ-MRXNPFEDSA-N 0 0 398.511 3.219 20 30 GGEDRN C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)C#N ZINC000282729653 1435858179 /nfs/dbraw/zinc/85/81/79/1435858179.db2.gz WZNBWMVOTBOXHA-HZPDHXFCSA-N 0 0 388.516 3.174 20 30 GGEDRN Cn1cc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccncc2)cc1C#N ZINC000282729351 1435858180 /nfs/dbraw/zinc/85/81/80/1435858180.db2.gz MEIRFVJMOKJGMI-LJQANCHMSA-N 0 0 381.480 3.086 20 30 GGEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](COCC)C1 ZINC000282737195 1435858480 /nfs/dbraw/zinc/85/84/80/1435858480.db2.gz FGBFMWRJJFNJKY-IBGZPJMESA-N 0 0 397.523 3.496 20 30 GGEDRN C=CCn1c(-c2ccccn2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000282745828 1435858894 /nfs/dbraw/zinc/85/88/94/1435858894.db2.gz YKITUDHAIBGTQE-HNNXBMFYSA-N 0 0 394.445 3.237 20 30 GGEDRN Cc1cc(Cl)c2ncc(C#N)c(N3CCC(C(=O)N4CCOCC4)CC3)c2c1 ZINC000282749615 1435858958 /nfs/dbraw/zinc/85/89/58/1435858958.db2.gz BDZCUDSFKSEQLF-UHFFFAOYSA-N 0 0 398.894 3.144 20 30 GGEDRN C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000282759610 1435859312 /nfs/dbraw/zinc/85/93/12/1435859312.db2.gz ZKNVUVGRDOKCDR-CABCVRRESA-N 0 0 386.500 3.199 20 30 GGEDRN C=C(C)Cn1c(C)nnc1N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000282761836 1435859398 /nfs/dbraw/zinc/85/93/98/1435859398.db2.gz CETBEWFLGYUCKG-UHFFFAOYSA-N 0 0 393.413 3.144 20 30 GGEDRN C=CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000282761271 1435859451 /nfs/dbraw/zinc/85/94/51/1435859451.db2.gz ZOXZNEGETMTHSG-UHFFFAOYSA-N 0 0 394.454 3.453 20 30 GGEDRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1ccccc1 ZINC000282768414 1435859591 /nfs/dbraw/zinc/85/95/91/1435859591.db2.gz HNSZIWCECVEJOX-FUHWJXTLSA-N 0 0 380.448 3.019 20 30 GGEDRN CCc1ccc([C@H]2COCCN2C(=O)c2ccn(-c3cccc(C#N)c3)n2)o1 ZINC000282768481 1435859664 /nfs/dbraw/zinc/85/96/64/1435859664.db2.gz XJTVFBNQEDLLEE-LJQANCHMSA-N 0 0 376.416 3.113 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000282779356 1435860033 /nfs/dbraw/zinc/86/00/33/1435860033.db2.gz MGGLSDGBQORWGG-UHFFFAOYSA-N 0 0 398.394 3.291 20 30 GGEDRN C=C1CCN(c2nnc(COc3ccccc3OC)n2CCCOCC)CC1 ZINC000282782966 1435860215 /nfs/dbraw/zinc/86/02/15/1435860215.db2.gz LDEJVNHTXVNYLX-UHFFFAOYSA-N 0 0 386.496 3.449 20 30 GGEDRN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cccc(C)c2)CC1 ZINC000282784245 1435860257 /nfs/dbraw/zinc/86/02/57/1435860257.db2.gz FKHMSSWGFBFSNE-LJQANCHMSA-N 0 0 399.539 3.213 20 30 GGEDRN Cc1cc(Cl)c2ncc(C#N)c(NCC3(OCCO)CCOCC3)c2c1 ZINC000282794837 1435860527 /nfs/dbraw/zinc/86/05/27/1435860527.db2.gz HPUVYKAVKFUFMF-UHFFFAOYSA-N 0 0 375.856 3.038 20 30 GGEDRN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000282792860 1435860571 /nfs/dbraw/zinc/86/05/71/1435860571.db2.gz GINMSDFSPAKYPV-LJQANCHMSA-N 0 0 397.523 3.471 20 30 GGEDRN C=CCOc1ccccc1CNC(=O)N(CCNC(C)=O)Cc1ccsc1 ZINC000282795187 1435860696 /nfs/dbraw/zinc/86/06/96/1435860696.db2.gz PVKSQOFTKNQYBX-UHFFFAOYSA-N 0 0 387.505 3.161 20 30 GGEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282809345 1435861281 /nfs/dbraw/zinc/86/12/81/1435861281.db2.gz NHUNPHQGLHDQFM-GOSISDBHSA-N 0 0 392.459 3.138 20 30 GGEDRN CS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000282812862 1435861329 /nfs/dbraw/zinc/86/13/29/1435861329.db2.gz SRSPURCMVUXEDN-GOSISDBHSA-N 0 0 385.445 3.001 20 30 GGEDRN CS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000282812872 1435861348 /nfs/dbraw/zinc/86/13/48/1435861348.db2.gz SRSPURCMVUXEDN-SFHVURJKSA-N 0 0 385.445 3.001 20 30 GGEDRN C[C@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@H](c2ccsc2)O1 ZINC000282815724 1435861440 /nfs/dbraw/zinc/86/14/40/1435861440.db2.gz RIHXCSCULPRNPV-IFXJQAMLSA-N 0 0 378.457 3.408 20 30 GGEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000282815482 1435861450 /nfs/dbraw/zinc/86/14/50/1435861450.db2.gz OQUZZZQDAOKRNF-UZLBHIALSA-N 0 0 395.507 3.247 20 30 GGEDRN N#Cc1cccc(C2(NC(=O)N[C@H]3CCN(C(=O)Nc4ccccc4)C3)CC2)c1 ZINC000282823834 1435861663 /nfs/dbraw/zinc/86/16/63/1435861663.db2.gz JDVZLVHMIORZBW-IBGZPJMESA-N 0 0 389.459 3.153 20 30 GGEDRN C=CCOc1ccccc1CNC(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282822525 1435861693 /nfs/dbraw/zinc/86/16/93/1435861693.db2.gz RPYKICGOYOXBLE-IBGZPJMESA-N 0 0 394.475 3.357 20 30 GGEDRN COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C1 ZINC000282839482 1435862463 /nfs/dbraw/zinc/86/24/63/1435862463.db2.gz ACRZBSZPFRBOHQ-UYAOXDASSA-N 0 0 395.507 3.249 20 30 GGEDRN N#Cc1ccc(OCc2nnc(N3C[C@@H]4CCC[C@@H]4C3)n2C[C@@H]2CCOC2)cc1 ZINC000282839401 1435862500 /nfs/dbraw/zinc/86/25/00/1435862500.db2.gz AAWBSKLKFDQWTJ-GBESFXJTSA-N 0 0 393.491 3.002 20 30 GGEDRN CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 ZINC000282847596 1435862890 /nfs/dbraw/zinc/86/28/90/1435862890.db2.gz ANOBAVKQNOOSGJ-MOPGFXCFSA-N 0 0 381.480 3.001 20 30 GGEDRN CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000282847634 1435862891 /nfs/dbraw/zinc/86/28/91/1435862891.db2.gz ANOBAVKQNOOSGJ-RTBURBONSA-N 0 0 381.480 3.001 20 30 GGEDRN C#CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCCO1 ZINC000282851556 1435863008 /nfs/dbraw/zinc/86/30/08/1435863008.db2.gz AUJVECWXFLGAJG-MRXNPFEDSA-N 0 0 386.521 3.218 20 30 GGEDRN C#CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCCCO1 ZINC000282851553 1435863101 /nfs/dbraw/zinc/86/31/01/1435863101.db2.gz AUJVECWXFLGAJG-INIZCTEOSA-N 0 0 386.521 3.218 20 30 GGEDRN CC(C)(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CCO1 ZINC000282898955 1435865175 /nfs/dbraw/zinc/86/51/75/1435865175.db2.gz DWSNXLPSFHOYFD-PKOBYXMFSA-N 0 0 395.507 3.105 20 30 GGEDRN CC[C@@H](c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCCO1)c1ccccc1 ZINC000282906583 1435865513 /nfs/dbraw/zinc/86/55/13/1435865513.db2.gz FJDOVAJSBUSTSV-VAMGGRTRSA-N 0 0 395.507 3.118 20 30 GGEDRN CC[C@@H](c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCCO1)c1ccccc1 ZINC000282906568 1435865534 /nfs/dbraw/zinc/86/55/34/1435865534.db2.gz FJDOVAJSBUSTSV-HSALFYBXSA-N 0 0 395.507 3.118 20 30 GGEDRN C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)NCCF ZINC000282923241 1435866318 /nfs/dbraw/zinc/86/63/18/1435866318.db2.gz YNRSDZNINMRZHU-CQSZACIVSA-N 0 0 385.464 3.055 20 30 GGEDRN CCOC(=O)C1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000282926102 1435866382 /nfs/dbraw/zinc/86/63/82/1435866382.db2.gz FGKFOJZUTRITOA-UHFFFAOYSA-N 0 0 385.342 3.264 20 30 GGEDRN C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccco1 ZINC000282930598 1435866505 /nfs/dbraw/zinc/86/65/05/1435866505.db2.gz LTMPTNDNFNLJNE-UHFFFAOYSA-N 0 0 386.477 3.154 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)n1 ZINC000282930626 1435866637 /nfs/dbraw/zinc/86/66/37/1435866637.db2.gz FTWKDRBECLKRGD-UHFFFAOYSA-N 0 0 391.353 3.341 20 30 GGEDRN CC(C)C(=O)N1CCCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000282950531 1435867386 /nfs/dbraw/zinc/86/73/86/1435867386.db2.gz HQORHEIJZUMBSQ-UHFFFAOYSA-N 0 0 398.385 3.179 20 30 GGEDRN COCCN(Cc1ccco1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282956822 1435867578 /nfs/dbraw/zinc/86/75/78/1435867578.db2.gz VRZZHMDVGFDQEH-UHFFFAOYSA-N 0 0 388.367 3.007 20 30 GGEDRN C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c(F)c1 ZINC000282962298 1435867903 /nfs/dbraw/zinc/86/79/03/1435867903.db2.gz OFFCVQKOQVLHQR-OXQOHEQNSA-N 0 0 398.409 3.169 20 30 GGEDRN CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C[C@@H](C)O1 ZINC000282964391 1435867912 /nfs/dbraw/zinc/86/79/12/1435867912.db2.gz IRBYEXQXLZNHQP-NSISKUIASA-N 0 0 395.507 3.390 20 30 GGEDRN C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c(F)c1 ZINC000282962302 1435867943 /nfs/dbraw/zinc/86/79/43/1435867943.db2.gz OFFCVQKOQVLHQR-UZLBHIALSA-N 0 0 398.409 3.169 20 30 GGEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)Nc3nc(C4CCC4)cs3)C2=O)cc1 ZINC000282965526 1435868025 /nfs/dbraw/zinc/86/80/25/1435868025.db2.gz IVYKEBWRJNIFOH-MRXNPFEDSA-N 0 0 395.488 3.205 20 30 GGEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000282982314 1435868805 /nfs/dbraw/zinc/86/88/05/1435868805.db2.gz KLMHZMGHQXCSGJ-GOSISDBHSA-N 0 0 380.492 3.404 20 30 GGEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(NC(=O)C2CC2)CC1 ZINC000282983859 1435868892 /nfs/dbraw/zinc/86/88/92/1435868892.db2.gz PUNKDKUGWFIPIA-UHFFFAOYSA-N 0 0 395.507 3.025 20 30 GGEDRN C[C@@H]1OCC[C@@]12CN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C[C@@H](C)O2 ZINC000283003997 1435869881 /nfs/dbraw/zinc/86/98/81/1435869881.db2.gz MMLMOEBMBZIMOQ-BWACUDIHSA-N 0 0 399.369 3.257 20 30 GGEDRN COc1ccccc1CN(Cc1cccs1)S(=O)(=O)N(C)[C@H](C)CC#N ZINC000283009119 1435870142 /nfs/dbraw/zinc/87/01/42/1435870142.db2.gz OOLZLUVCSLLEFI-OAHLLOKOSA-N 0 0 393.534 3.238 20 30 GGEDRN CN(C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)C1)C(=O)OC(C)(C)C ZINC000283017623 1435870609 /nfs/dbraw/zinc/87/06/09/1435870609.db2.gz CBKDINPVZFXWEM-INIZCTEOSA-N 0 0 396.495 3.047 20 30 GGEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](COC)C1 ZINC000283020792 1435870770 /nfs/dbraw/zinc/87/07/70/1435870770.db2.gz NRSNVYBNODSADO-GOSISDBHSA-N 0 0 383.496 3.106 20 30 GGEDRN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccc(C)cc2)CC1 ZINC000283026775 1435871069 /nfs/dbraw/zinc/87/10/69/1435871069.db2.gz TZSXFXBOPUCBDZ-IBGZPJMESA-N 0 0 399.539 3.213 20 30 GGEDRN Cc1ncsc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000283035106 1435871453 /nfs/dbraw/zinc/87/14/53/1435871453.db2.gz NDWHNISSNWLBME-MRXNPFEDSA-N 0 0 394.504 3.255 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000283040961 1435871775 /nfs/dbraw/zinc/87/17/75/1435871775.db2.gz NLSKTZKTWWHXEC-FQEVSTJZSA-N 0 0 398.470 3.361 20 30 GGEDRN C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC000283048779 1435872056 /nfs/dbraw/zinc/87/20/56/1435872056.db2.gz VREMQMDWJBNEDJ-JTSKRJEESA-N 0 0 397.523 3.313 20 30 GGEDRN N#Cc1cc(NC(=O)c2ccc(N3CCCC3)nn2)ccc1OC(F)(F)F ZINC000283051564 1435872278 /nfs/dbraw/zinc/87/22/78/1435872278.db2.gz RCQAFLFOWARRKX-UHFFFAOYSA-N 0 0 377.326 3.099 20 30 GGEDRN Cc1cccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCCO2)c1 ZINC000283053975 1435872395 /nfs/dbraw/zinc/87/23/95/1435872395.db2.gz OFLDYFWGFNZUAR-PKOBYXMFSA-N 0 0 383.496 3.331 20 30 GGEDRN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccc(C#N)c(Cl)n1 ZINC000283062647 1435872708 /nfs/dbraw/zinc/87/27/08/1435872708.db2.gz OUOLDSFLMXPQJN-UHFFFAOYSA-N 0 0 384.823 3.104 20 30 GGEDRN N#Cc1cc(NC(=O)NCCc2cn3c(n2)SCC3)ccc1OC(F)(F)F ZINC000283064639 1435872806 /nfs/dbraw/zinc/87/28/06/1435872806.db2.gz SHFGKWZCVGFLDU-UHFFFAOYSA-N 0 0 397.382 3.123 20 30 GGEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 ZINC000283065777 1435872937 /nfs/dbraw/zinc/87/29/37/1435872937.db2.gz RFYPNJHTGQCLQM-LPHOPBHVSA-N 0 0 383.496 3.247 20 30 GGEDRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)C)c1C ZINC000283075288 1435873292 /nfs/dbraw/zinc/87/32/92/1435873292.db2.gz QUWXJRAKDIZMMZ-ROUUACIJSA-N 0 0 383.496 3.420 20 30 GGEDRN C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC(C)(C)O1 ZINC000283083076 1435873584 /nfs/dbraw/zinc/87/35/84/1435873584.db2.gz PZNONWLSRDJCLC-LPHOPBHVSA-N 0 0 395.507 3.390 20 30 GGEDRN C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)OCC)CC1 ZINC000283084855 1435873733 /nfs/dbraw/zinc/87/37/33/1435873733.db2.gz YLWZPXPUDOBFGU-UHFFFAOYSA-N 0 0 398.507 3.233 20 30 GGEDRN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC000283096059 1435874306 /nfs/dbraw/zinc/87/43/06/1435874306.db2.gz ZKEZGTNGKNMPFO-UHFFFAOYSA-N 0 0 396.520 3.310 20 30 GGEDRN COc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCCO2)cc1 ZINC000283100087 1435874514 /nfs/dbraw/zinc/87/45/14/1435874514.db2.gz RECLCEAOWNISEL-QFBILLFUSA-N 0 0 399.495 3.031 20 30 GGEDRN Cc1cc(C)cc([C@@H](O)CNC(=O)CCCC(=O)Nc2ccccc2C#N)c1 ZINC000283104629 1435874746 /nfs/dbraw/zinc/87/47/46/1435874746.db2.gz LYKJBYHECYWRSE-FQEVSTJZSA-N 0 0 379.460 3.134 20 30 GGEDRN C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOCC)CC1 ZINC000283105228 1435874770 /nfs/dbraw/zinc/87/47/70/1435874770.db2.gz VAWDKNHEZVGJCB-UHFFFAOYSA-N 0 0 381.480 3.312 20 30 GGEDRN C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](COCCOC)C1 ZINC000283107505 1435874852 /nfs/dbraw/zinc/87/48/52/1435874852.db2.gz AWLUKVBSUGNPAT-QGZVFWFLSA-N 0 0 388.487 3.073 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC000283117309 1435875405 /nfs/dbraw/zinc/87/54/05/1435875405.db2.gz BMTJCIPLXWZCAW-UHFFFAOYSA-N 0 0 394.566 3.295 20 30 GGEDRN COC(=O)[C@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[C@H]1C ZINC000283118455 1435875407 /nfs/dbraw/zinc/87/54/07/1435875407.db2.gz YCAVBCZWVUWWMG-MFKMUULPSA-N 0 0 385.342 3.120 20 30 GGEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(OCCOC)CC1 ZINC000283117514 1435875459 /nfs/dbraw/zinc/87/54/59/1435875459.db2.gz BOHZQSNUYXLMLO-UHFFFAOYSA-N 0 0 386.496 3.162 20 30 GGEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(c2nc(C)cs2)CC1 ZINC000283119439 1435875507 /nfs/dbraw/zinc/87/55/07/1435875507.db2.gz BPLMZCHYGJWTMP-UHFFFAOYSA-N 0 0 381.509 3.008 20 30 GGEDRN C=C(C)Cn1c(C2CC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000283121588 1435875530 /nfs/dbraw/zinc/87/55/30/1435875530.db2.gz BTLGILLXRFMBIU-GOEBONIOSA-N 0 0 375.517 3.471 20 30 GGEDRN CC(=O)NCCN(Cc1ccsc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000283126957 1435875793 /nfs/dbraw/zinc/87/57/93/1435875793.db2.gz ZMTPULRTCIZZTG-UHFFFAOYSA-N 0 0 387.509 3.346 20 30 GGEDRN C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC000283139882 1435876417 /nfs/dbraw/zinc/87/64/17/1435876417.db2.gz CXLLBQFDXAKNNM-GCJKJVERSA-N 0 0 379.508 3.113 20 30 GGEDRN C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC000283139889 1435876469 /nfs/dbraw/zinc/87/64/69/1435876469.db2.gz CXLLBQFDXAKNNM-PGRDOPGGSA-N 0 0 379.508 3.113 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)NCc1nc2cc(C)ccc2n1C ZINC000283141600 1435876499 /nfs/dbraw/zinc/87/64/99/1435876499.db2.gz JDZMARGYUAZWTO-UHFFFAOYSA-N 0 0 393.447 3.100 20 30 GGEDRN C[C@H](C#N)CN(C)c1nnc(COCc2ccccc2)n1C[C@@H]1CCCCO1 ZINC000283159679 1435877253 /nfs/dbraw/zinc/87/72/53/1435877253.db2.gz VPVLXXUBGYEGSH-MJGOQNOKSA-N 0 0 383.496 3.160 20 30 GGEDRN CCOC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)CC1 ZINC000283169251 1435877673 /nfs/dbraw/zinc/87/76/73/1435877673.db2.gz YUCCOOBREJIRIZ-UHFFFAOYSA-N 0 0 381.480 3.252 20 30 GGEDRN C=C(C)Cn1c(CC2CC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000283169019 1435877697 /nfs/dbraw/zinc/87/76/97/1435877697.db2.gz FRCGVGFATGVILV-MRXNPFEDSA-N 0 0 375.517 3.158 20 30 GGEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(N2CCCC2=O)CC1 ZINC000283169837 1435877738 /nfs/dbraw/zinc/87/77/38/1435877738.db2.gz ABAJZUBWSNKSOM-UHFFFAOYSA-N 0 0 395.507 3.121 20 30 GGEDRN C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1Cl ZINC000283170331 1435877740 /nfs/dbraw/zinc/87/77/40/1435877740.db2.gz ACTSGTJXFNECIH-HNNXBMFYSA-N 0 0 394.928 3.046 20 30 GGEDRN C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C(=O)OC)[C@@H](C)C1 ZINC000283179351 1435878000 /nfs/dbraw/zinc/87/80/00/1435878000.db2.gz GHAVIUMVWULWIP-YOEHRIQHSA-N 0 0 399.451 3.065 20 30 GGEDRN COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)C[C@@H]1C ZINC000283183673 1435878309 /nfs/dbraw/zinc/87/83/09/1435878309.db2.gz ZYPSWINXMLDWKF-YJBOKZPZSA-N 0 0 381.480 3.108 20 30 GGEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000283193630 1435878684 /nfs/dbraw/zinc/87/86/84/1435878684.db2.gz HDFDQKVHZKEMCX-HOIFWPIMSA-N 0 0 398.507 3.303 20 30 GGEDRN C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CCS1 ZINC000283193978 1435878745 /nfs/dbraw/zinc/87/87/45/1435878745.db2.gz XVTNFRUSVKIEOG-QAPCUYQASA-N 0 0 383.521 3.328 20 30 GGEDRN CC[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCOC1 ZINC000283204442 1435879278 /nfs/dbraw/zinc/87/92/78/1435879278.db2.gz YQGODNSSCJHIMO-ZWKOTPCHSA-N 0 0 394.523 3.026 20 30 GGEDRN C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC000283212028 1435879502 /nfs/dbraw/zinc/87/95/02/1435879502.db2.gz IOHOZYLRECNUFH-QGZVFWFLSA-N 0 0 392.507 3.355 20 30 GGEDRN CN(C[C@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 ZINC000283217936 1435879796 /nfs/dbraw/zinc/87/97/96/1435879796.db2.gz ZRZIVIVPIQWXQT-QUCCMNQESA-N 0 0 395.507 3.249 20 30 GGEDRN CN(C[C@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000283217939 1435879825 /nfs/dbraw/zinc/87/98/25/1435879825.db2.gz 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1435995144 /nfs/dbraw/zinc/99/51/44/1435995144.db2.gz COHRBMXTKLTRCN-YJBOKZPZSA-N 0 0 387.509 3.082 20 30 GGEDRN CS(=O)(=O)c1ccc(COC(=O)CCCCOc2cccc(C#N)c2)cc1 ZINC000284145946 1435998816 /nfs/dbraw/zinc/99/88/16/1435998816.db2.gz PDAACTDHEAUCOK-UHFFFAOYSA-N 0 0 387.457 3.254 20 30 GGEDRN C[C@@H](NC(=O)C(=O)NCc1cccc(COC(C)(C)C)c1)c1ccc(C#N)cc1 ZINC000284151049 1435999407 /nfs/dbraw/zinc/99/94/07/1435999407.db2.gz XGYIHBWHUUVUFM-MRXNPFEDSA-N 0 0 393.487 3.367 20 30 GGEDRN CCc1nc(C)c([C@H](C)N(C)C(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000284158575 1436000367 /nfs/dbraw/zinc/00/03/67/1436000367.db2.gz XXWODGGGNOAOQO-JSGCOSHPSA-N 0 0 384.505 3.282 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)Nc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000284159944 1436000474 /nfs/dbraw/zinc/00/04/74/1436000474.db2.gz QBFJZSPQQBAVIN-NHCUHLMSSA-N 0 0 385.464 3.079 20 30 GGEDRN Cc1[nH]c2c(cc(C)cc2CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1C ZINC000284156762 1436000541 /nfs/dbraw/zinc/00/05/41/1436000541.db2.gz XTCRGMVFSCMWLT-INIZCTEOSA-N 0 0 388.471 3.458 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)CCc1ccc(O)cc1 ZINC000284167206 1436001054 /nfs/dbraw/zinc/00/10/54/1436001054.db2.gz XDDURCOQYVPPPV-KRWDZBQOSA-N 0 0 393.487 3.140 20 30 GGEDRN C=C[C@@H](CC(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1)c1ccccc1 ZINC000284171642 1436001443 /nfs/dbraw/zinc/00/14/43/1436001443.db2.gz RNOPOBGTCQELEV-KRWDZBQOSA-N 0 0 398.528 3.182 20 30 GGEDRN N#Cc1c(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)sc2c1CCCCCC2 ZINC000284230891 1436005510 /nfs/dbraw/zinc/00/55/10/1436005510.db2.gz JHJWFYVJUZSGIA-HNNXBMFYSA-N 0 0 392.546 3.432 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)N[C@@H](COC)c2ccc(OCC)cc2)c1 ZINC000284247864 1436007016 /nfs/dbraw/zinc/00/70/16/1436007016.db2.gz LDBKNDJFUQJNFI-FQEVSTJZSA-N 0 0 398.459 3.093 20 30 GGEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000284276790 1436009204 /nfs/dbraw/zinc/00/92/04/1436009204.db2.gz LUVZLHCMGPCUFR-LJQANCHMSA-N 0 0 382.485 3.256 20 30 GGEDRN CCn1c(-c2ccc(OCCC(C)C)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 ZINC000284293718 1436010688 /nfs/dbraw/zinc/01/06/88/1436010688.db2.gz GGBWTDYYBXXJTC-QGZVFWFLSA-N 0 0 399.495 3.127 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H](C)c1ccc(OC)cc1 ZINC000284316061 1436012616 /nfs/dbraw/zinc/01/26/16/1436012616.db2.gz YUAXUFHCQFJSDW-INIZCTEOSA-N 0 0 382.460 3.096 20 30 GGEDRN C=CCCCCCN(C)C(=O)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000284324887 1436013563 /nfs/dbraw/zinc/01/35/63/1436013563.db2.gz LASBEDUXNAGRPT-UHFFFAOYSA-N 0 0 397.475 3.353 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)cc1C#N ZINC000284361608 1436015975 /nfs/dbraw/zinc/01/59/75/1436015975.db2.gz ZDYVEFSNOXMGOU-KRWDZBQOSA-N 0 0 384.457 3.245 20 30 GGEDRN COc1ccc([C@H](NC(=O)OC(C)(C)C)C(N)=NOCc2ccccn2)cc1 ZINC000284492055 1436025706 /nfs/dbraw/zinc/02/57/06/1436025706.db2.gz SJRHEXORMLSPLF-KRWDZBQOSA-N 0 0 386.452 3.145 20 30 GGEDRN COc1ccc([C@@H](NC(=O)OC(C)(C)C)C(N)=NOCc2ccccn2)cc1 ZINC000284492058 1436025748 /nfs/dbraw/zinc/02/57/48/1436025748.db2.gz SJRHEXORMLSPLF-QGZVFWFLSA-N 0 0 386.452 3.145 20 30 GGEDRN Cc1cc(F)c(C(=O)C(C(=S)NC2(C)CC2)[n+]2cc([O-])ccc2F)cc1F ZINC000284522120 1436027937 /nfs/dbraw/zinc/02/79/37/1436027937.db2.gz URNAOKSVVWTPLE-UHFFFAOYSA-O 0 0 395.426 3.486 20 30 GGEDRN N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000284533310 1436028570 /nfs/dbraw/zinc/02/85/70/1436028570.db2.gz DLAZQFSQGATLIL-SFHVURJKSA-N 0 0 392.459 3.061 20 30 GGEDRN Cc1noc([C@@H]2CN(c3c(C#N)cnc4c(F)ccc(Cl)c43)CCN2C)n1 ZINC000284602265 1436033214 /nfs/dbraw/zinc/03/32/14/1436033214.db2.gz QYEVJORAKJPGEQ-AWEZNQCLSA-N 0 0 386.818 3.084 20 30 GGEDRN C[C@@H](NC(=O)C(=O)NCCCO[C@@H](C)c1ccccc1)c1ccc(C#N)cc1 ZINC000284606916 1436033754 /nfs/dbraw/zinc/03/37/54/1436033754.db2.gz HBOPSWNFZBRVAD-SJORKVTESA-N 0 0 379.460 3.020 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000284621853 1436035171 /nfs/dbraw/zinc/03/51/71/1436035171.db2.gz YFNXUFZYDHLHRB-QGZVFWFLSA-N 0 0 393.487 3.427 20 30 GGEDRN COc1ccc([C@@H](NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)C(C)C)cc1 ZINC000284637834 1436036436 /nfs/dbraw/zinc/03/64/36/1436036436.db2.gz JHEBZWAUQYIEBH-YWZLYKJASA-N 0 0 379.460 3.258 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccccc1COCC ZINC000284677773 1436039561 /nfs/dbraw/zinc/03/95/61/1436039561.db2.gz VELYZPQFMKYOSN-UHFFFAOYSA-N 0 0 393.487 3.150 20 30 GGEDRN CCOC(COCCNC(=O)Nc1ccccc1SC[C@@H](C)C#N)OCC ZINC000284701199 1436041180 /nfs/dbraw/zinc/04/11/80/1436041180.db2.gz PHMYAAWUQDQROA-HNNXBMFYSA-N 0 0 395.525 3.476 20 30 GGEDRN CCOC(COCCNC(=O)Nc1ccccc1SC[C@H](C)C#N)OCC ZINC000284701202 1436041329 /nfs/dbraw/zinc/04/13/29/1436041329.db2.gz PHMYAAWUQDQROA-OAHLLOKOSA-N 0 0 395.525 3.476 20 30 GGEDRN COc1ccc([C@H](NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000284780315 1436049218 /nfs/dbraw/zinc/04/92/18/1436049218.db2.gz SNWRICQOGUMXPF-HXUWFJFHSA-N 0 0 379.460 3.039 20 30 GGEDRN C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825888142 1442007171 /nfs/dbraw/zinc/00/71/71/1442007171.db2.gz OERWXEWECSPYTO-UHFFFAOYSA-N 0 0 387.365 3.249 20 30 GGEDRN C#CC[N@@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C1CCCC1 ZINC000819702435 1442091058 /nfs/dbraw/zinc/09/10/58/1442091058.db2.gz ZGPFXSQKPSYISE-UHFFFAOYSA-N 0 0 398.536 3.013 20 30 GGEDRN C=CCOc1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000823932456 1443547678 /nfs/dbraw/zinc/54/76/78/1443547678.db2.gz ZKUVQMXAGCJLOH-UHFFFAOYSA-N 0 0 390.491 3.144 20 30 GGEDRN C[C@H]([NH2+]CCSCc1ccccc1-c1nn[n-]n1)c1ccc(C#N)c(F)c1 ZINC000824607555 1443757048 /nfs/dbraw/zinc/75/70/48/1443757048.db2.gz ZTPQZNFPDDVAGT-ZDUSSCGKSA-N 0 0 382.468 3.461 20 30 GGEDRN CC(C)(C)C[N@H+](CCC#N)CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735602912 1446082082 /nfs/dbraw/zinc/08/20/82/1446082082.db2.gz RTNFDZZSEHOUHY-UHFFFAOYSA-N 0 0 389.891 3.110 20 30 GGEDRN N#Cc1ccccc1CSCCNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000737727236 1446459940 /nfs/dbraw/zinc/45/99/40/1446459940.db2.gz HMSDZMIZKJRSRY-UHFFFAOYSA-N 0 0 387.472 3.054 20 30 GGEDRN C=CC[N@@H+](CCc1ccco1)Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000823910153 1446768351 /nfs/dbraw/zinc/76/83/51/1446768351.db2.gz XZEQIZDNJANNPF-UHFFFAOYSA-N 0 0 389.463 3.091 20 30 GGEDRN N#Cc1ccc(Cl)cc1N1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737718183 1446978121 /nfs/dbraw/zinc/97/81/21/1446978121.db2.gz KVXDANQRBFWNLT-UHFFFAOYSA-N 0 0 393.882 3.104 20 30 GGEDRN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc(OC)c(OCC)c1 ZINC000823915086 1447276658 /nfs/dbraw/zinc/27/66/58/1447276658.db2.gz RVEYPGMFRJELHC-UHFFFAOYSA-N 0 0 379.464 3.462 20 30 GGEDRN C#CC[C@H]([NH2+]C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000823839027 1447323420 /nfs/dbraw/zinc/32/34/20/1447323420.db2.gz YTSFRVIEIIMOHZ-QFIPXVFZSA-N 0 0 386.503 3.185 20 30 GGEDRN C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000735412769 1449288564 /nfs/dbraw/zinc/28/85/64/1449288564.db2.gz KNKFOVAHEQSFCW-ZDUSSCGKSA-N 0 0 388.541 3.422 20 30 GGEDRN C=CC[N@@H+](CCc1ccccc1)Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000823903698 1449610402 /nfs/dbraw/zinc/61/04/02/1449610402.db2.gz HUUOWVPFTGORTA-UHFFFAOYSA-N 0 0 399.502 3.498 20 30 GGEDRN C=CCc1cc(OC)cc(C[N@H+](CC=C)Cc2cccc(-c3nnn[n-]3)c2)c1O ZINC000823936997 1450305401 /nfs/dbraw/zinc/30/54/01/1450305401.db2.gz DDXNAFJPVFLQAM-UHFFFAOYSA-N 0 0 391.475 3.498 20 30 GGEDRN COC(=O)[C@]1(C)CCCN1C(F)(F)c1nc(Cl)c(C#N)c(C(F)(F)F)n1 ZINC001164392154 718805719 /nfs/dbraw/zinc/80/57/19/718805719.db2.gz YTBOLWNYDAPCNJ-LBPRGKRZSA-N 0 0 398.719 3.097 20 30 GGEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@@H]2CCCO[C@@H]2C1 ZINC001164422990 718899650 /nfs/dbraw/zinc/89/96/50/718899650.db2.gz ZGZODPMEODADLS-SMDDNHRTSA-N 0 0 399.825 3.334 20 30 GGEDRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccnc(Cl)c4C#N)C[C@H]3O2)n1 ZINC001164651790 719298011 /nfs/dbraw/zinc/29/80/11/719298011.db2.gz MLHCTHJKWUUFJW-LEWSCRJBSA-N 0 0 395.797 3.200 20 30 GGEDRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4nc(Cl)ccc4C#N)C[C@@H]3O2)n1 ZINC001164654880 719299285 /nfs/dbraw/zinc/29/92/85/719299285.db2.gz SCTOMDUIWCCQLX-WXHSDQCUSA-N 0 0 395.797 3.200 20 30 GGEDRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)c(C#N)c4)C[C@H]3O2)n1 ZINC001164656939 719299460 /nfs/dbraw/zinc/29/94/60/719299460.db2.gz ZNIAALQWTJEZED-LEWSCRJBSA-N 0 0 395.797 3.200 20 30 GGEDRN N#Cc1cc(F)cnc1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001164672969 719498189 /nfs/dbraw/zinc/49/81/89/719498189.db2.gz LRKOPJFPLGPRBL-UHFFFAOYSA-N 0 0 384.430 3.103 20 30 GGEDRN Cc1cc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)ncc1C#N ZINC001164674482 719504154 /nfs/dbraw/zinc/50/41/54/719504154.db2.gz YDSOHSSDYXJMPJ-UHFFFAOYSA-N 0 0 380.467 3.272 20 30 GGEDRN Cc1nc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)ccc1C#N ZINC001164672668 719515147 /nfs/dbraw/zinc/51/51/47/719515147.db2.gz MMQPNPURLRABGB-UHFFFAOYSA-N 0 0 380.467 3.272 20 30 GGEDRN N#CCc1ccnc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c1 ZINC001164673975 719518265 /nfs/dbraw/zinc/51/82/65/719518265.db2.gz WJXXANHEEVTWDO-UHFFFAOYSA-N 0 0 380.467 3.158 20 30 GGEDRN CC(C)Oc1ncnc2c1CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)CC2 ZINC001164695232 719790525 /nfs/dbraw/zinc/79/05/25/719790525.db2.gz KWLCKZZYZCFAAE-UHFFFAOYSA-N 0 0 393.825 3.334 20 30 GGEDRN CC(C)Oc1ncnc2c1CCN(C(F)(F)c1nc(Cl)ccc1C#N)CC2 ZINC001164694300 719790611 /nfs/dbraw/zinc/79/06/11/719790611.db2.gz FXGHRXMVGIUZTB-UHFFFAOYSA-N 0 0 393.825 3.334 20 30 GGEDRN C=CCN1C(=O)CC[C@]12CCCN([C@@H](F)Oc1ccc(Cl)nn1)[C@H]2CC ZINC001164700849 719824621 /nfs/dbraw/zinc/82/46/21/719824621.db2.gz MOZHLUODVMASAJ-VHSSKADRSA-N 0 0 382.867 3.184 20 30 GGEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC001164821270 720280262 /nfs/dbraw/zinc/28/02/62/720280262.db2.gz ZYUXGEFYWPEUMA-SFHVURJKSA-N 0 0 394.853 3.380 20 30 GGEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC001164817510 720280417 /nfs/dbraw/zinc/28/04/17/720280417.db2.gz DDCXPDGODRHFRH-GOSISDBHSA-N 0 0 394.853 3.380 20 30 GGEDRN N#Cc1ccc(C(F)(F)N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc1Cl ZINC001164721737 720335631 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QVNZNFUOLRRPOS-MJBXVCDLSA-N 0 0 395.797 3.342 20 30 GGEDRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3cc(C#N)cc(Cl)n3)O2)n1 ZINC001164829148 720405908 /nfs/dbraw/zinc/40/59/08/720405908.db2.gz LSTHFNJLYYYKQT-XQQFMLRXSA-N 0 0 395.797 3.342 20 30 GGEDRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3cc(Cl)ncc3C#N)O2)n1 ZINC001164830118 720405935 /nfs/dbraw/zinc/40/59/35/720405935.db2.gz PTQFZKJTYMQPJC-RDBSUJKOSA-N 0 0 395.797 3.342 20 30 GGEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164734802 720417382 /nfs/dbraw/zinc/41/73/82/720417382.db2.gz UQOVKACVUXUGQB-IAGOWNOFSA-N 0 0 389.837 3.400 20 30 GGEDRN COCCN1CCN(C(F)(F)c2cc(C#N)cc(Cl)n2)Cc2cccnc21 ZINC001164887296 721368666 /nfs/dbraw/zinc/36/86/66/721368666.db2.gz QGIOCBACXKVDAN-UHFFFAOYSA-N 0 0 393.825 3.020 20 30 GGEDRN N#Cc1cnc2cnc(Cl)cc2c1N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164784052 721395609 /nfs/dbraw/zinc/39/56/09/721395609.db2.gz IZWPEUCYOUKBCU-ZIAGYGMSSA-N 0 0 396.907 3.180 20 30 GGEDRN N#Cc1cnc2cnc(Cl)cc2c1N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164784044 721396136 /nfs/dbraw/zinc/39/61/36/721396136.db2.gz IZWPEUCYOUKBCU-OKILXGFUSA-N 0 0 396.907 3.180 20 30 GGEDRN N#Cc1cc(Cl)c(Cl)nc1N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164788875 721410838 /nfs/dbraw/zinc/41/08/38/721410838.db2.gz SIPWSRXXSRMERW-RYUDHWBXSA-N 0 0 380.304 3.285 20 30 GGEDRN N#Cc1cc(C(F)(F)N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)cnc1Cl ZINC001164780521 721411442 /nfs/dbraw/zinc/41/14/42/721411442.db2.gz AAJGYCUGDGBIDT-BETUJISGSA-N 0 0 395.866 3.176 20 30 GGEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164789632 721412919 /nfs/dbraw/zinc/41/29/19/721412919.db2.gz VPPBGFRBQNXEAJ-STQMWFEESA-N 0 0 395.866 3.176 20 30 GGEDRN C=CCOCc1nn(C)c2c1CN(C(F)(F)Oc1cccnc1Cl)CC2 ZINC001164781598 721445863 /nfs/dbraw/zinc/44/58/63/721445863.db2.gz GRFXJEJFJBSVFP-UHFFFAOYSA-N 0 0 384.814 3.159 20 30 GGEDRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3ccc(Cl)nc3C#N)CC[C@H]21 ZINC001164891257 721463403 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N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCN(C[C@H]2CCCO2)CC1 ZINC001165036668 721901557 /nfs/dbraw/zinc/90/15/57/721901557.db2.gz IWHWTHMNIWZJLL-LLVKDONJSA-N 0 0 391.249 3.106 20 30 GGEDRN N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001165042705 721925217 /nfs/dbraw/zinc/92/52/17/721925217.db2.gz FYEMJFJXBPECPF-INIZCTEOSA-N 0 0 399.882 3.095 20 30 GGEDRN N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001165043283 721926779 /nfs/dbraw/zinc/92/67/79/721926779.db2.gz IFDPCGRZGGKOLO-LBPRGKRZSA-N 0 0 392.837 3.339 20 30 GGEDRN Cc1c(Cl)c(Cl)nc(N2CCN(CCc3ccccn3)CC2)c1C#N ZINC001165053860 722010056 /nfs/dbraw/zinc/01/00/56/722010056.db2.gz NIOPYYYTKSTYIO-UHFFFAOYSA-N 0 0 376.291 3.328 20 30 GGEDRN CC(C)C(=O)N[C@@H]1[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C[C@H]21 ZINC001164959392 722038832 /nfs/dbraw/zinc/03/88/32/722038832.db2.gz HCIDYDJJIFLCST-IWIIMEHWSA-N 0 0 389.233 3.012 20 30 GGEDRN N#Cc1ccc(C(F)(F)N2C[C@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)nc1Cl ZINC001164956898 722046323 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AKKLEENJHYYQNK-STQMWFEESA-N 0 0 394.853 3.283 20 30 GGEDRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3ccc(C#N)c(Cl)n3)C2)C1=O ZINC001164973061 722161504 /nfs/dbraw/zinc/16/15/04/722161504.db2.gz KOOWFUCPVJXQDR-GOSISDBHSA-N 0 0 388.805 3.276 20 30 GGEDRN C=CCOC[C@@H]1CCC[C@]12CN(C(F)(F)c1cc(N)cc(Cl)n1)CCO2 ZINC001164973481 722168517 /nfs/dbraw/zinc/16/85/17/722168517.db2.gz BLYAKPQPMCDQRH-GUYCJALGSA-N 0 0 387.858 3.440 20 30 GGEDRN C=CCOC[C@H]1CCC[C@@]12CN(C(F)(F)c1cc(N)cc(Cl)n1)CCO2 ZINC001164973475 722168571 /nfs/dbraw/zinc/16/85/71/722168571.db2.gz BLYAKPQPMCDQRH-CXAGYDPISA-N 0 0 387.858 3.440 20 30 GGEDRN C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)CCO2 ZINC001164974054 722170022 /nfs/dbraw/zinc/17/00/22/722170022.db2.gz DOBPRZFVGJXNBL-WBVHZDCISA-N 0 0 388.842 3.096 20 30 GGEDRN C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)CCO2 ZINC001164974043 722170080 /nfs/dbraw/zinc/17/00/80/722170080.db2.gz DOBPRZFVGJXNBL-DOTOQJQBSA-N 0 0 388.842 3.096 20 30 GGEDRN COc1nc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c(F)cc1C#N ZINC001164995922 722207373 /nfs/dbraw/zinc/20/73/73/722207373.db2.gz PXTBMQSRIXSHDW-OAQYLSRUSA-N 0 0 384.430 3.485 20 30 GGEDRN Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(-c3nn[nH]n3)c(C#N)c2)s1 ZINC000737463697 945072115 /nfs/dbraw/zinc/07/21/15/945072115.db2.gz ZVGQZCBVOVGUNF-UHFFFAOYSA-N 0 0 387.428 3.423 20 30 GGEDRN C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC000908945625 939360333 /nfs/dbraw/zinc/36/03/33/939360333.db2.gz CZVVKHXQQBZSGL-MRXNPFEDSA-N 0 0 399.413 3.171 20 30 GGEDRN C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC000908946073 939360721 /nfs/dbraw/zinc/36/07/21/939360721.db2.gz IDMSLIBOTDYIDU-INIZCTEOSA-N 0 0 399.413 3.171 20 30 GGEDRN O=[N+]([O-])c1cccc(-c2nc(C=NNc3ccc(-c4nn[nH]n4)cc3)cs2)c1 ZINC000738367022 945263932 /nfs/dbraw/zinc/26/39/32/945263932.db2.gz NPNSIMIJHHPJJG-UHFFFAOYSA-N 0 0 392.404 3.344 20 30 GGEDRN Brc1ccccc1C=NOCc1cn2ccccc2c1-c1nn[nH]n1 ZINC000819689142 945269997 /nfs/dbraw/zinc/26/99/97/945269997.db2.gz WKFUNPQPXZBSOW-UHFFFAOYSA-N 0 0 397.236 3.433 20 30 GGEDRN N#CCc1ccc(OCc2cccc(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)c2)cc1 ZINC000822813978 946194771 /nfs/dbraw/zinc/19/47/71/946194771.db2.gz AQEPCWJMDOOKDN-UHFFFAOYSA-N 0 0 399.414 3.092 20 30 GGEDRN c1cnc(C(CC2CCCCC2)=NNCc2ccc(-c3nn[nH]n3)cc2)nc1 ZINC000823809344 946484150 /nfs/dbraw/zinc/48/41/50/946484150.db2.gz LFQBQXDIHBONKQ-UHFFFAOYSA-N 0 0 376.468 3.121 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)Cc1cccc(Br)n1 ZINC000823914423 946514129 /nfs/dbraw/zinc/51/41/29/946514129.db2.gz IMXLOXOOADTBQP-UHFFFAOYSA-N 0 0 385.269 3.212 20 30 GGEDRN C#C[C@H]1CCCCN1C(=O)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC001573279253 946634997 /nfs/dbraw/zinc/63/49/97/946634997.db2.gz DYCYOQJSQPDESD-HNNXBMFYSA-N 0 0 391.406 3.426 20 30 GGEDRN C#C[C@H](NC(=O)C1(c2ccc(-c3nn[nH]n3)cc2)CCCC1)c1ccc(F)cc1 ZINC001573279462 946640636 /nfs/dbraw/zinc/64/06/36/946640636.db2.gz HIVXGPGFRXEWSY-IBGZPJMESA-N 0 0 389.434 3.308 20 30 GGEDRN C#C[C@@H](NC(=O)N(C)[C@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC001573279911 946650994 /nfs/dbraw/zinc/65/09/94/946650994.db2.gz LSGLFYKQTBFJPW-FZKQIMNGSA-N 0 0 378.411 3.083 20 30 GGEDRN C#C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[nH]n2)c1)C(C)C ZINC001573279978 946653303 /nfs/dbraw/zinc/65/33/03/946653303.db2.gz MCIVYQWEBFFKHM-QGZVFWFLSA-N 0 0 376.420 3.438 20 30 GGEDRN C#C[C@H](Nc1c(-c2nn[nH]n2)cnc2c(F)c(F)c(F)cc21)c1ccc(F)cc1 ZINC001573281247 946675041 /nfs/dbraw/zinc/67/50/41/946675041.db2.gz WSNQUBPNKSRKFI-AWEZNQCLSA-N 0 0 398.323 3.180 20 30 GGEDRN C#C[C@H](NC(=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1)C(C)(C)C ZINC001573281438 946676641 /nfs/dbraw/zinc/67/66/41/946676641.db2.gz YVFGDZJZRXNAGF-IBGZPJMESA-N 0 0 389.459 3.223 20 30 GGEDRN C#CCCCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N(CC(C)C)C(C)C ZINC001573281964 946682134 /nfs/dbraw/zinc/68/21/34/946682134.db2.gz CKUPTKMVYZFKGE-UHFFFAOYSA-N 0 0 392.511 3.409 20 30 GGEDRN C#CCCCCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CCCC1(C)C ZINC001573282627 946695276 /nfs/dbraw/zinc/69/52/76/946695276.db2.gz LTZZKECMYYPRMQ-UHFFFAOYSA-N 0 0 390.495 3.308 20 30 GGEDRN C#CCCCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N(CC)C[C@H](C)CC ZINC001573282688 946695487 /nfs/dbraw/zinc/69/54/87/946695487.db2.gz MWRHRRQUMOHURI-MRXNPFEDSA-N 0 0 392.511 3.411 20 30 GGEDRN C#CCCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573282769 946697994 /nfs/dbraw/zinc/69/79/94/946697994.db2.gz NZFICCGZNZWXRW-UHFFFAOYSA-N 0 0 392.511 3.097 20 30 GGEDRN C#CCN(C(=O)c1cc(F)c(-c2nn[nH]n2)c(F)c1)[C@@H]1CCCc2ccccc21 ZINC001573282968 946706245 /nfs/dbraw/zinc/70/62/45/946706245.db2.gz OEQQKNOZCWPZLQ-GOSISDBHSA-N 0 0 393.397 3.298 20 30 GGEDRN C#CCCCCn1c(C2CCC2)nnc1N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573283373 946713291 /nfs/dbraw/zinc/71/32/91/946713291.db2.gz SFWUPRJKARVDBT-UHFFFAOYSA-N 0 0 390.495 3.166 20 30 GGEDRN C#CCCCCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N(CC)CC(=C)C ZINC001573283564 946719835 /nfs/dbraw/zinc/71/98/35/946719835.db2.gz VHZXJHLWHMFQKD-UHFFFAOYSA-N 0 0 390.495 3.331 20 30 GGEDRN C#CCCCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CC[C@H](C)[C@H]1CC ZINC001573283669 946721890 /nfs/dbraw/zinc/72/18/90/946721890.db2.gz WQENJHUULWRCAZ-MAUKXSAKSA-N 0 0 390.495 3.163 20 30 GGEDRN C#CCO[C@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)c(Cl)c1 ZINC001573288651 946874525 /nfs/dbraw/zinc/87/45/25/946874525.db2.gz WYWVWHXKMMEXLX-GFCCVEGCSA-N 0 0 397.822 3.289 20 30 GGEDRN C#CCO[C@@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)c(Cl)c1 ZINC001573288653 946874889 /nfs/dbraw/zinc/87/48/89/946874889.db2.gz WYWVWHXKMMEXLX-LBPRGKRZSA-N 0 0 397.822 3.289 20 30 GGEDRN C#Cc1ccc([C@@H](OC(=O)c2ccc(-c3nn[nH]n3)s2)C(F)(F)F)cc1 ZINC001573290598 946907332 /nfs/dbraw/zinc/90/73/32/946907332.db2.gz MJMASDWAQOAVDT-CYBMUJFWSA-N 0 0 378.335 3.370 20 30 GGEDRN CC(=O)c1ccc(OC(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC001573556563 946929795 /nfs/dbraw/zinc/92/97/95/946929795.db2.gz SAKWIDDABYVJIS-CQSZACIVSA-N 0 0 395.806 3.011 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001573293675 946964717 /nfs/dbraw/zinc/96/47/17/946964717.db2.gz FYPWTRSMJYRZMG-CABCVRRESA-N 0 0 378.484 3.184 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001573293943 946971719 /nfs/dbraw/zinc/97/17/19/946971719.db2.gz OUWJBPQOCAVSNT-GJZGRUSLSA-N 0 0 378.484 3.326 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001573293945 946972936 /nfs/dbraw/zinc/97/29/36/946972936.db2.gz OUWJBPQOCAVSNT-LSDHHAIUSA-N 0 0 378.484 3.326 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573296149 947040884 /nfs/dbraw/zinc/04/08/84/947040884.db2.gz ZBHFNZWUJNOIGF-UHFFFAOYSA-N 0 0 390.451 3.239 20 30 GGEDRN C=C1CCC(CNC(=O)CSc2nc(C)c(C)c(C)c2-c2nn[nH]n2)CC1 ZINC001573296746 947054428 /nfs/dbraw/zinc/05/44/28/947054428.db2.gz ZMPNJGUFXOPFLE-UHFFFAOYSA-N 0 0 386.525 3.142 20 30 GGEDRN C=C1CCC(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)CC1 ZINC001573296719 947054517 /nfs/dbraw/zinc/05/45/17/947054517.db2.gz YKMMLTUJTGBKMO-UHFFFAOYSA-N 0 0 396.430 3.059 20 30 GGEDRN CCOc1ccc([N+](=O)[O-])cc1C=CC(=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000825643771 947270554 /nfs/dbraw/zinc/27/05/54/947270554.db2.gz UDWXSFIYYHFWDE-QPJJXVBHSA-N 0 0 383.339 3.209 20 30 GGEDRN C=CCC(C)(C)CNC(=O)c1cccc(CNc2ncccc2-c2nn[nH]n2)c1 ZINC001573318357 947306886 /nfs/dbraw/zinc/30/68/86/947306886.db2.gz AVJHRVOPXGSBLM-UHFFFAOYSA-N 0 0 391.479 3.206 20 30 GGEDRN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC001573329729 947425041 /nfs/dbraw/zinc/42/50/41/947425041.db2.gz NWGOLLAKLQAYKA-CRAIPNDOSA-N 0 0 391.479 3.226 20 30 GGEDRN C=CCCC[C@@H](NS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC001573334954 947467635 /nfs/dbraw/zinc/46/76/35/947467635.db2.gz JVMVENNAHMJPSD-LJQANCHMSA-N 0 0 397.504 3.384 20 30 GGEDRN C=CCCCCCCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC001573335492 947479781 /nfs/dbraw/zinc/47/97/81/947479781.db2.gz PMUSTGDXMODTQJ-UHFFFAOYSA-N 0 0 383.905 3.325 20 30 GGEDRN C=CCCCn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N(C)OC1CCCC1 ZINC001573335774 947487204 /nfs/dbraw/zinc/48/72/04/947487204.db2.gz UOOPKHOVXJMACE-UHFFFAOYSA-N 0 0 394.483 3.402 20 30 GGEDRN C=CCCCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CCCCCC1 ZINC001573335942 947495007 /nfs/dbraw/zinc/49/50/07/947495007.db2.gz XNKVXCMGYJUZKY-UHFFFAOYSA-N 0 0 378.484 3.472 20 30 GGEDRN C=CCN(CC(=O)NCCCC1CCCCC1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573340952 947525495 /nfs/dbraw/zinc/52/54/95/947525495.db2.gz FBAVUDSVZWAWET-UHFFFAOYSA-N 0 0 396.539 3.331 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC001573341124 947528180 /nfs/dbraw/zinc/52/81/80/947528180.db2.gz IAIKYYXFBLNDAA-UHFFFAOYSA-N 0 0 389.459 3.409 20 30 GGEDRN C=CCCSCCNC(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC001573341463 947530190 /nfs/dbraw/zinc/53/01/90/947530190.db2.gz NDWXVCMSYVRNNT-UHFFFAOYSA-N 0 0 376.486 3.085 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Nc1cc(C)cnc1OCC ZINC001573341327 947531362 /nfs/dbraw/zinc/53/13/62/947531362.db2.gz LKOOXNUFMSNOTF-UHFFFAOYSA-N 0 0 393.451 3.189 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H](C)CSC(F)(F)F ZINC001573341744 947536256 /nfs/dbraw/zinc/53/62/56/947536256.db2.gz PXJANDIHGYWQFH-LLVKDONJSA-N 0 0 385.415 3.270 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cccc(SCC#N)c1 ZINC001573342480 947540830 /nfs/dbraw/zinc/54/08/30/947540830.db2.gz ZBIMXEAGBTZLJW-UHFFFAOYSA-N 0 0 390.472 3.311 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C[C@H]1OCc2ccccc21 ZINC001573342456 947541676 /nfs/dbraw/zinc/54/16/76/947541676.db2.gz YTSFSSFDMBQJCD-LJQANCHMSA-N 0 0 375.432 3.043 20 30 GGEDRN C=CCn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1C[C@H]2C[C@]1(C)CCC2 ZINC001573347395 947574829 /nfs/dbraw/zinc/57/48/29/947574829.db2.gz DEUFVLWYXUKDHY-VLIAUNLRSA-N 0 0 376.468 3.080 20 30 GGEDRN C=CCOc1ccc(C=CC(=O)Nc2cc(C)cc(-c3nn[nH]n3)c2)cc1OC ZINC001573347836 947577519 /nfs/dbraw/zinc/57/75/19/947577519.db2.gz IIZGVVFMNPBXFQ-SOFGYWHQSA-N 0 0 391.431 3.400 20 30 GGEDRN C=CCn1c(C(C)C)nnc1N1CCC[C@H](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573348033 947578664 /nfs/dbraw/zinc/57/86/64/947578664.db2.gz LMVCQXXTMXFGQK-QGZVFWFLSA-N 0 0 392.511 3.227 20 30 GGEDRN C=CCn1c(C(C)C)nnc1N1CCC[C@@H](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573348031 947578700 /nfs/dbraw/zinc/57/87/00/947578700.db2.gz LMVCQXXTMXFGQK-KRWDZBQOSA-N 0 0 392.511 3.227 20 30 GGEDRN C=CCOc1ccc(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2NCCC)cc1 ZINC001573348270 947581151 /nfs/dbraw/zinc/58/11/51/947581151.db2.gz OIDFNTJXWFEWCN-UHFFFAOYSA-N 0 0 392.463 3.435 20 30 GGEDRN C=CCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001573348956 947589274 /nfs/dbraw/zinc/58/92/74/947589274.db2.gz XJDOYMFNSKZYFJ-PBHICJAKSA-N 0 0 376.468 3.080 20 30 GGEDRN C=CCn1ncc2ccc(NC(=O)C3(c4cccc(-c5nn[nH]n5)c4)CC3)cc21 ZINC001573350264 947594627 /nfs/dbraw/zinc/59/46/27/947594627.db2.gz BIXXDHWEEWBIJX-UHFFFAOYSA-N 0 0 385.431 3.073 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@@H](C(C)C)C2 ZINC001573350479 947598845 /nfs/dbraw/zinc/59/88/45/947598845.db2.gz CDHYWMOWZQGILH-BZPMIXESSA-N 0 0 387.509 3.219 20 30 GGEDRN C=CCn1cc2ccc(NC(=O)c3[nH]c4ccccc4c3-c3nn[nH]n3)cc2n1 ZINC001573351941 947624053 /nfs/dbraw/zinc/62/40/53/947624053.db2.gz XXAYEBCNDMYICY-UHFFFAOYSA-N 0 0 384.403 3.136 20 30 GGEDRN N#CC1(COC(=O)c2ccccc2Sc2ccccc2-c2nn[nH]n2)CC1 ZINC000826379987 948175411 /nfs/dbraw/zinc/17/54/11/948175411.db2.gz JFNXEJFUCJHKCZ-UHFFFAOYSA-N 0 0 377.429 3.478 20 30 GGEDRN C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001602781105 971521916 /nfs/dbraw/zinc/52/19/16/971521916.db2.gz RLWXVFZXTOCJIS-NRFANRHFSA-N 0 0 383.492 3.038 20 30 GGEDRN CC1(c2cc(NC(=O)[C@@H](C#N)Cc3ccc(-c4nn[nH]n4)cc3)no2)CCCC1 ZINC001575857437 949267044 /nfs/dbraw/zinc/26/70/44/949267044.db2.gz QTIHPRGEJVQYSV-OAHLLOKOSA-N 0 0 391.435 3.007 20 30 GGEDRN CC[C@@]1(C(=O)[O-])CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC001589605991 949270114 /nfs/dbraw/zinc/27/01/14/949270114.db2.gz YJAKKKHOEHXVQZ-MGPUTAFESA-N 0 0 375.444 3.038 20 30 GGEDRN CC[NH+](CC)[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589722967 950434808 /nfs/dbraw/zinc/43/48/08/950434808.db2.gz KTNDTRDWCVIAAA-YJBOKZPZSA-N 0 0 399.413 3.209 20 30 GGEDRN CC(C)(C)Oc1ccc(NC(=O)NCc2ccc(C#N)s2)cc1-c1nn[nH]n1 ZINC001573876537 950677213 /nfs/dbraw/zinc/67/72/13/950677213.db2.gz PSELHLFSMYJIRI-UHFFFAOYSA-N 0 0 397.464 3.299 20 30 GGEDRN CC1(C)C[C@H](CNc2nc3c(c(C#N)c2-c2nn[nH]n2)CCCCCC3)CCO1 ZINC001575639019 950849888 /nfs/dbraw/zinc/84/98/88/950849888.db2.gz MOBFCNVXWGPDFD-CQSZACIVSA-N 0 0 395.511 3.409 20 30 GGEDRN C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1cc(C#N)c2ccccc2n1 ZINC001575187683 952444089 /nfs/dbraw/zinc/44/40/89/952444089.db2.gz DWXYPTHVAPVPQS-CYBMUJFWSA-N 0 0 383.415 3.104 20 30 GGEDRN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589300006 953686498 /nfs/dbraw/zinc/68/64/98/953686498.db2.gz QIHSAOSOAAOCSC-ZGVCAFERSA-N 0 0 397.519 3.106 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H](C)C[C@H](C(=O)[O-])C3)sc2C1 ZINC001589364459 954179214 /nfs/dbraw/zinc/17/92/14/954179214.db2.gz UMOGPJASGVHHIX-MCIONIFRSA-N 0 0 389.521 3.116 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C3(C(=O)[O-])CCCC3)sc2C1 ZINC001589364782 954180318 /nfs/dbraw/zinc/18/03/18/954180318.db2.gz XZTHLIIESVAXSY-GFCCVEGCSA-N 0 0 375.494 3.060 20 30 GGEDRN C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC[C@H]3C(=O)[O-])sc2C1 ZINC001589364971 954182540 /nfs/dbraw/zinc/18/25/40/954182540.db2.gz ZNKNXSZVMZPPQB-WFASDCNBSA-N 0 0 375.494 3.012 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001594631472 956341576 /nfs/dbraw/zinc/34/15/76/956341576.db2.gz CTLHMRWHVMKLPU-UHFFFAOYSA-N 0 0 394.431 3.021 20 30 GGEDRN N#Cc1ccccc1COc1cccc(C[NH2+][C@H](Cc2ccncc2)C(=O)[O-])c1 ZINC001594631754 956345414 /nfs/dbraw/zinc/34/54/14/956345414.db2.gz IOLYVABZOLOSJU-JOCHJYFZSA-N 0 0 387.439 3.318 20 30 GGEDRN N#Cc1ccccc1CSCC[NH2+]Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001594632158 956350647 /nfs/dbraw/zinc/35/06/47/956350647.db2.gz RXMXJVWRYVVQHV-KRWDZBQOSA-N 0 0 399.516 3.475 20 30 GGEDRN C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904240831 956935933 /nfs/dbraw/zinc/93/59/33/956935933.db2.gz XUZGXBIKVLSADJ-UHFFFAOYSA-N 0 0 388.464 3.244 20 30 GGEDRN C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)C(C)C ZINC001339710488 957865775 /nfs/dbraw/zinc/86/57/75/957865775.db2.gz QHHIJPWZHQWQOR-HSALFYBXSA-N 0 0 385.508 3.297 20 30 GGEDRN C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001588440164 958327326 /nfs/dbraw/zinc/32/73/26/958327326.db2.gz ONQJKUIVQLINQB-INIZCTEOSA-N 0 0 388.464 3.244 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588464398 958491545 /nfs/dbraw/zinc/49/15/45/958491545.db2.gz PAJRUMAWOLSXRD-LSTHTHJFSA-N 0 0 398.528 3.451 20 30 GGEDRN C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001588542266 958968734 /nfs/dbraw/zinc/96/87/34/958968734.db2.gz UWHSWEVRENHCSK-KRWDZBQOSA-N 0 0 383.370 3.244 20 30 GGEDRN C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001588542269 958969237 /nfs/dbraw/zinc/96/92/37/958969237.db2.gz UWHSWEVRENHCSK-QGZVFWFLSA-N 0 0 383.370 3.244 20 30 GGEDRN CC[C@H](C)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C(=O)[O-] ZINC001573943476 961625153 /nfs/dbraw/zinc/62/51/53/961625153.db2.gz VVKPYSBSRIJHHA-PRXAMGSTSA-N 0 0 377.510 3.162 20 30 GGEDRN C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC001574014291 961938134 /nfs/dbraw/zinc/93/81/34/961938134.db2.gz WHDPDZYEJQZHSZ-JOCHJYFZSA-N 0 0 395.459 3.140 20 30 GGEDRN C#CC[N@@H+](Cc1cc(C(=O)[O-])oc1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001573310987 962693039 /nfs/dbraw/zinc/69/30/39/962693039.db2.gz GHJLYHXHFDYHRR-UHFFFAOYSA-N 0 0 376.453 3.121 20 30 GGEDRN C#CC[N@H+](C[C@H]1CCCC[C@H]1C(=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001573311446 962703832 /nfs/dbraw/zinc/70/38/32/962703832.db2.gz QKGDSXKAMDXRIG-SJLPKXTDSA-N 0 0 378.513 3.212 20 30 GGEDRN C#CC[N@H+](C[C@@H]1CCCC[C@H]1C(=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001573311445 962703899 /nfs/dbraw/zinc/70/38/99/962703899.db2.gz QKGDSXKAMDXRIG-FUHWJXTLSA-N 0 0 378.513 3.212 20 30 GGEDRN C=CC[C@@H](C(=O)[O-])[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC001573351977 962983218 /nfs/dbraw/zinc/98/32/18/962983218.db2.gz ZJZAOYYVMHERIY-HNNXBMFYSA-N 0 0 381.270 3.129 20 30 GGEDRN C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)C(C)C ZINC001573368482 963080017 /nfs/dbraw/zinc/08/00/17/963080017.db2.gz MMFLYDKYODPJEH-NFBKMPQASA-N 0 0 399.535 3.123 20 30 GGEDRN C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)C(C)C ZINC001573368489 963080216 /nfs/dbraw/zinc/08/02/16/963080216.db2.gz MMFLYDKYODPJEH-REWPJTCUSA-N 0 0 399.535 3.123 20 30 GGEDRN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)cn1 ZINC000873646202 969361531 /nfs/dbraw/zinc/36/15/31/969361531.db2.gz YMZOZBDLBMYIPW-CABCVRRESA-N 0 0 392.381 3.001 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@]3(C)C(=O)[O-])sc2C1 ZINC001603434245 973197034 /nfs/dbraw/zinc/19/70/34/973197034.db2.gz OLUABVSRBWDCMR-BLVKFPJESA-N 0 0 375.494 3.012 20 30 GGEDRN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC001603434168 973197099 /nfs/dbraw/zinc/19/70/99/973197099.db2.gz MKMSVNQWDBZYEO-YWPYICTPSA-N 0 0 375.494 3.011 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC001592225767 977412834 /nfs/dbraw/zinc/41/28/34/977412834.db2.gz NNTFVWCNIPOETR-CQSZACIVSA-N 0 0 390.509 3.094 20 30 GGEDRN C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C(=O)[O-])cc1Br ZINC001592458828 978174924 /nfs/dbraw/zinc/17/49/24/978174924.db2.gz GEXLYMRMSNJGQI-GFCCVEGCSA-N 0 0 381.270 3.336 20 30 GGEDRN C[C@@H](CCNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)[NH+](C)C ZINC001592521776 978376416 /nfs/dbraw/zinc/37/64/16/978376416.db2.gz RJWDJUDEGGCOKU-INIZCTEOSA-N 0 0 379.460 3.246 20 30 GGEDRN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)cc1C#N ZINC000756346369 978698385 /nfs/dbraw/zinc/69/83/85/978698385.db2.gz DDKBEONYCDYPLV-INIZCTEOSA-N 0 0 375.222 3.245 20 30 GGEDRN CCC[C@@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C(=O)[O-] ZINC000829194190 978995263 /nfs/dbraw/zinc/99/52/63/978995263.db2.gz YJINUANGPJAJGJ-OAQYLSRUSA-N 0 0 382.464 3.137 20 30 GGEDRN C#CCOc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])cc1 ZINC000833366885 979171377 /nfs/dbraw/zinc/17/13/77/979171377.db2.gz KWWGMPDKZMCFGQ-FQEVSTJZSA-N 0 0 395.455 3.290 20 30 GGEDRN CCC(CC)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)[O-] ZINC001595101081 979404641 /nfs/dbraw/zinc/40/46/41/979404641.db2.gz LKVDLTJWVOJFBM-UHFFFAOYSA-N 0 0 377.510 3.450 20 30 GGEDRN C=C(C)C[C@H]([NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C)C(=O)[O-] ZINC000864530100 979944676 /nfs/dbraw/zinc/94/46/76/979944676.db2.gz SHDRXMAFGPZFNS-INIZCTEOSA-N 0 0 378.270 3.452 20 30 GGEDRN C=CCOC[C@H]([NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)C(=O)[O-] ZINC000901812098 980533430 /nfs/dbraw/zinc/53/34/30/980533430.db2.gz ZSBOVCFBQIIBPX-NSHDSACASA-N 0 0 398.175 3.093 20 30 GGEDRN N#Cc1ccccc1COc1cccc(C[NH2+][C@@H](C[C@@H]2CCCO2)C(=O)[O-])c1 ZINC000904032536 981082894 /nfs/dbraw/zinc/08/28/94/981082894.db2.gz WYGNIGSHMXQQAX-SFTDATJTSA-N 0 0 380.444 3.249 20 30 GGEDRN C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000905750315 981137953 /nfs/dbraw/zinc/13/79/53/981137953.db2.gz PTVBRYRSERDQJM-GFCCVEGCSA-N 0 0 376.865 3.496 20 30 GGEDRN CN(CC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)[C@@H]1CCSC1 ZINC000909108070 981418203 /nfs/dbraw/zinc/41/82/03/981418203.db2.gz PZZRJROGCBWANB-HXUWFJFHSA-N 0 0 394.496 3.160 20 30 GGEDRN CC[C@@](C)(C(=O)[O-])[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)CC1CC1 ZINC001594778483 981777992 /nfs/dbraw/zinc/77/79/92/981777992.db2.gz SSEZJERNWVXSFW-XOBRGWDASA-N 0 0 385.489 3.438 20 30 GGEDRN CCCC[C@H](C(=O)[O-])[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC001595628048 981780401 /nfs/dbraw/zinc/78/04/01/981780401.db2.gz HWAXKCSVBIHJKE-SJORKVTESA-N 0 0 394.313 3.275 20 30 GGEDRN CCCC[C@@H](C(=O)[O-])[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC001595628047 981780868 /nfs/dbraw/zinc/78/08/68/981780868.db2.gz HWAXKCSVBIHJKE-IRXDYDNUSA-N 0 0 394.313 3.275 20 30 GGEDRN C=CCCC[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000910916466 982163217 /nfs/dbraw/zinc/16/32/17/982163217.db2.gz WBMUIYGOYBWTBH-APWZRJJASA-N 0 0 398.425 3.367 20 30 GGEDRN C#CCC[NH+]1CCC(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])CC1 ZINC000911426915 982427146 /nfs/dbraw/zinc/42/71/46/982427146.db2.gz KAKSRSACATXENQ-UHFFFAOYSA-N 0 0 376.456 3.269 20 30 GGEDRN CC[C@H](C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)CC(=O)[O-] ZINC001594984006 982792943 /nfs/dbraw/zinc/79/29/43/982792943.db2.gz YDHOXPOZCXZNBP-STQMWFEESA-N 0 0 377.510 3.258 20 30 GGEDRN CCC[N@H+](Cc1cccc(C(=O)[O-])c1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001595900165 982950619 /nfs/dbraw/zinc/95/06/19/982950619.db2.gz QICLSVHTHFNBHO-INIZCTEOSA-N 0 0 387.480 3.478 20 30 GGEDRN C#CC[N@@H+](CC1(CC(=O)[O-])CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001588467952 983499544 /nfs/dbraw/zinc/49/95/44/983499544.db2.gz IOJYWOIXKSTRDA-OAHLLOKOSA-N 0 0 378.266 3.463 20 30 GGEDRN C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)cc1 ZINC001588517032 983563172 /nfs/dbraw/zinc/56/31/72/983563172.db2.gz IUBOCEKGJXXAEI-VQTJNVASSA-N 0 0 396.874 3.450 20 30 GGEDRN CC[N@H+](C)[C@H]1CCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC001596191730 983566995 /nfs/dbraw/zinc/56/69/95/983566995.db2.gz PWDGDQSFHXWPPC-NRFANRHFSA-N 0 0 391.471 3.343 20 30 GGEDRN C#Cc1ccc(NC(=O)CC[NH2+][C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)cc1 ZINC001588518121 983568083 /nfs/dbraw/zinc/56/80/83/983568083.db2.gz REPVJKIDUDJEEJ-HJPURHCSSA-N 0 0 376.456 3.464 20 30 GGEDRN C=C(C)CNC([S-])=C(C([O-])=C1[NH+]=C(C)C(C(=O)[O-])=C1C)[n+]1ccc(C)cc1 ZINC001588570160 983650659 /nfs/dbraw/zinc/65/06/59/983650659.db2.gz UINYRRAGXXABHT-UHFFFAOYSA-O 0 0 386.497 3.149 20 30 GGEDRN C=C(C)C[NH+]1CCC(NC(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)CC1 ZINC001588584724 983662041 /nfs/dbraw/zinc/66/20/41/983662041.db2.gz DAJWUTLIYAPJPS-UHFFFAOYSA-N 0 0 385.464 3.013 20 30 GGEDRN C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)CC1 ZINC001588584772 983662181 /nfs/dbraw/zinc/66/21/81/983662181.db2.gz HBPQTMYNGXSWHA-UHFFFAOYSA-N 0 0 399.535 3.389 20 30 GGEDRN CC[NH+](CC)CC(=O)Nc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC001596260098 983673162 /nfs/dbraw/zinc/67/31/62/983673162.db2.gz ITLJOHQYLKZHDV-FQEVSTJZSA-N 0 0 380.448 3.076 20 30 GGEDRN C=C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001588670066 983817598 /nfs/dbraw/zinc/81/75/98/983817598.db2.gz VETGHELBCDPCEP-BBWFWOEESA-N 0 0 378.444 3.148 20 30 GGEDRN C=CC[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001588728382 983982210 /nfs/dbraw/zinc/98/22/10/983982210.db2.gz JHLUJEYYDWRKIW-HIFRSBDPSA-N 0 0 385.245 3.185 20 30 GGEDRN C=CC[C@H](C(=O)[O-])[NH+]1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001588729459 983989949 /nfs/dbraw/zinc/98/99/49/983989949.db2.gz KORAQLXHCDEJRN-OAQYLSRUSA-N 0 0 394.471 3.053 20 30 GGEDRN C=CCC1([NH2+]CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CCCCC1 ZINC001588769229 984132776 /nfs/dbraw/zinc/13/27/76/984132776.db2.gz QRQBLNPBKXCXPC-LJQANCHMSA-N 0 0 383.492 3.148 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001588831732 984316621 /nfs/dbraw/zinc/31/66/21/984316621.db2.gz MHKMGBFIJLPNTA-VGOFRKELSA-N 0 0 398.528 3.380 20 30 GGEDRN C=CCOc1c(Br)cc(C[N@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1OCC ZINC001588868933 984436326 /nfs/dbraw/zinc/43/63/26/984436326.db2.gz ZWNQMMUKHFVXMC-VIKVFOODSA-N 0 0 396.281 3.175 20 30 GGEDRN C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccoc1C(=O)[O-] ZINC001588900301 984520508 /nfs/dbraw/zinc/52/05/08/984520508.db2.gz FGYPISYLMOZELT-UHFFFAOYSA-N 0 0 376.482 3.076 20 30 GGEDRN C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccccc1C(=O)[O-] ZINC001588901398 984524038 /nfs/dbraw/zinc/52/40/38/984524038.db2.gz VUMLPTKOGKOWDA-UHFFFAOYSA-N 0 0 386.521 3.483 20 30 GGEDRN CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1)c1ccccc1 ZINC001589020868 985008512 /nfs/dbraw/zinc/00/85/12/985008512.db2.gz GJVQOGNDTPKBTF-QRWLVFNGSA-N 0 0 383.473 3.071 20 30 GGEDRN CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1)c1ccccc1 ZINC001589020870 985008699 /nfs/dbraw/zinc/00/86/99/985008699.db2.gz GJVQOGNDTPKBTF-YWZLYKJASA-N 0 0 383.473 3.071 20 30 GGEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1C#N ZINC001599973037 986041498 /nfs/dbraw/zinc/04/14/98/986041498.db2.gz FPECVQHCNPZRFO-GCJKJVERSA-N 0 0 398.507 3.359 20 30 GGEDRN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001594570777 986397540 /nfs/dbraw/zinc/39/75/40/986397540.db2.gz UUMNTJOFDVBWFA-QGZVFWFLSA-N 0 0 379.460 3.236 20 30 GGEDRN CCc1cccc[n+]1C(C(=O)c1ccc(C(=O)[O-])cc1)C(=S)NC1(C)CC1 ZINC001597603577 988469350 /nfs/dbraw/zinc/46/93/50/988469350.db2.gz JBKVYFYNEJJHOD-UHFFFAOYSA-O 0 0 383.493 3.316 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC2(C[C@H]2[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001589996396 988919641 /nfs/dbraw/zinc/91/96/41/988919641.db2.gz ZSBRMGQISBLJAS-SJORKVTESA-N 0 0 385.464 3.063 20 30 GGEDRN C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001599864378 989219110 /nfs/dbraw/zinc/21/91/10/989219110.db2.gz AMGQUPMDQFPRAK-ZTFGCOKTSA-N 0 0 387.480 3.167 20 30 GGEDRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC001590139964 989406096 /nfs/dbraw/zinc/40/60/96/989406096.db2.gz QOWRRRUUGXIGCN-RANZSIQMSA-N 0 0 385.464 3.062 20 30 GGEDRN C[C@@]1(C(=O)[O-])CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001599883843 989523151 /nfs/dbraw/zinc/52/31/51/989523151.db2.gz NQQPYDXOVHODON-IBGZPJMESA-N 0 0 375.494 3.156 20 30 GGEDRN C[C@@]12CN(Cc3ccccc3)C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001599884680 989535391 /nfs/dbraw/zinc/53/53/91/989535391.db2.gz BIPFPCLRYCQUFP-GIWBLDEGSA-N 0 0 375.472 3.138 20 30 GGEDRN CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001590184985 989536181 /nfs/dbraw/zinc/53/61/81/989536181.db2.gz MVJNSOMBCGUETA-CRAIPNDOSA-N 0 0 387.480 3.311 20 30 GGEDRN C[NH+](C)CCN(Cc1c2ccccc2[nH]c1C(=O)[O-])Cc1ccc(C#N)cc1 ZINC001598225439 990915851 /nfs/dbraw/zinc/91/58/51/990915851.db2.gz LEWJRHDXAKJHQD-UHFFFAOYSA-N 0 0 376.460 3.302 20 30 GGEDRN CC(C)C[N@H+](CCC(=O)[O-])CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC001591331641 992304981 /nfs/dbraw/zinc/30/49/81/992304981.db2.gz PGVYOSFJSZDADX-UHFFFAOYSA-N 0 0 377.510 3.260 20 30 GGEDRN C[C@@H]([NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001593188882 994105637 /nfs/dbraw/zinc/10/56/37/994105637.db2.gz BWIYZSHBEZICKS-SZNDQCEHSA-N 0 0 397.450 3.135 20 30 GGEDRN C[C@H]([NH2+][C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(N2CCCOC2=O)cc1 ZINC001593195546 994148254 /nfs/dbraw/zinc/14/82/54/994148254.db2.gz QMGRCJVZHPCDQN-IFXJQAMLSA-N 0 0 379.416 3.381 20 30 GGEDRN C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccccc1OCC(=O)[O-] ZINC001593224384 994341128 /nfs/dbraw/zinc/34/11/28/994341128.db2.gz QIBRXSFNIDVAJN-ZLPCBKJTSA-N 0 0 395.459 3.457 20 30 GGEDRN C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccccc1OCC(=O)[O-] ZINC001593224383 994341419 /nfs/dbraw/zinc/34/14/19/994341419.db2.gz QIBRXSFNIDVAJN-FAEJEUNOSA-N 0 0 395.459 3.457 20 30 GGEDRN C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593237889 994415736 /nfs/dbraw/zinc/41/57/36/994415736.db2.gz UMKICQUSGSBVBQ-SUMWQHHRSA-N 0 0 385.851 3.072 20 30 GGEDRN COc1cccc([C@@H](C(=O)[O-])[N@H+](C)CC[C@](C#N)(C(C)=O)c2ccccc2)c1 ZINC001599646743 994435819 /nfs/dbraw/zinc/43/58/19/994435819.db2.gz FMHYXICTGAGPSD-UNMCSNQZSA-N 0 0 380.444 3.193 20 30 GGEDRN C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ncc(C(=O)[O-])s1 ZINC001593262800 994556984 /nfs/dbraw/zinc/55/69/84/994556984.db2.gz WLFBZEGHKAZYPG-VIFPVBQESA-N 0 0 378.841 3.046 20 30 GGEDRN C[C@]([NH2+]Cc1ccc(C#N)cc1OC(F)F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593292553 994678242 /nfs/dbraw/zinc/67/82/42/994678242.db2.gz NPZVTLSGZVJJFI-GOSISDBHSA-N 0 0 391.330 3.157 20 30 GGEDRN C[C@@H]([NH2+][C@H]1CCCCC[C@H]1C(=O)[O-])C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001593354189 994987782 /nfs/dbraw/zinc/98/77/82/994987782.db2.gz KIBYASQULMFPIE-KYOSRNDESA-N 0 0 375.494 3.059 20 30 GGEDRN C[C@H](Oc1ccc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1)C(=O)[O-] ZINC001593617970 995856324 /nfs/dbraw/zinc/85/63/24/995856324.db2.gz RRVXHCUNDFFADI-KRWDZBQOSA-N 0 0 393.487 3.164 20 30 GGEDRN C[C@H](Oc1ccccc1C[NH2+]C1CCN(c2ccccc2C#N)CC1)C(=O)[O-] ZINC001593645679 995976294 /nfs/dbraw/zinc/97/62/94/995976294.db2.gz LJAOPYDQQHCFGB-INIZCTEOSA-N 0 0 379.460 3.169 20 30 GGEDRN C[C@H](Oc1ccccc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1)C(=O)[O-] ZINC001593645701 995977568 /nfs/dbraw/zinc/97/75/68/995977568.db2.gz LNRAEFPCHZDBBX-KRWDZBQOSA-N 0 0 379.460 3.122 20 30 GGEDRN CC1(C)CCC[C@]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)(C(=O)[O-])C1 ZINC001593896443 996753787 /nfs/dbraw/zinc/75/37/87/996753787.db2.gz XQQOCOZTIRMTPY-IVZQSRNASA-N 0 0 392.459 3.237 20 30 GGEDRN COC[C@@H]([NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC001599174711 996820375 /nfs/dbraw/zinc/82/03/75/996820375.db2.gz XXUVPDUBUVICED-SJORKVTESA-N 0 0 389.249 3.424 20 30 GGEDRN CO[C@@H]1CCC[C@H]([C@H]([NH2+]Cc2ccc(C#N)cc2Br)C(=O)[O-])C1 ZINC001599107315 997502578 /nfs/dbraw/zinc/50/25/78/997502578.db2.gz DHKXXGLLLRXJFX-BJJXKVORSA-N 0 0 381.270 3.069 20 30 GGEDRN CO[C@@H]1CCC[C@@H]([C@H]([NH2+]Cc2ccc(C#N)cc2Br)C(=O)[O-])C1 ZINC001599107318 997502947 /nfs/dbraw/zinc/50/29/47/997502947.db2.gz DHKXXGLLLRXJFX-XPKDYRNWSA-N 0 0 381.270 3.069 20 30 GGEDRN COc1cc(C[NH2+][C@](C)(CCF)C(=O)[O-])ccc1OCc1cccc(C#N)c1 ZINC001599416003 997511403 /nfs/dbraw/zinc/51/14/03/997511403.db2.gz KGNXLPSYTJVTDW-OAQYLSRUSA-N 0 0 386.423 3.438 20 30 GGEDRN COc1ccc([C@@H](O)C2CC[NH+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC001599531671 997665659 /nfs/dbraw/zinc/66/56/59/997665659.db2.gz JHJGGEXMMXLVOC-NHCUHLMSSA-N 0 0 380.444 3.138 20 30 GGEDRN CO[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@](C)(C(=O)[O-])C1 ZINC001599130719 997936833 /nfs/dbraw/zinc/93/68/33/997936833.db2.gz LISYEYUTUNCOLL-IRLDBZIGSA-N 0 0 378.472 3.450 20 30 GGEDRN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1ccc(C)c(C#N)c1)CC2 ZINC001599465503 998352774 /nfs/dbraw/zinc/35/27/74/998352774.db2.gz KIRUNSIQSUFGOZ-IBGZPJMESA-N 0 0 380.444 3.458 20 30 GGEDRN COC(=O)c1ccc2c(c1)[C@H](C[NH2+][C@H](C(=O)[O-])c1cccc(C#N)c1)CCC2 ZINC001598989543 998723589 /nfs/dbraw/zinc/72/35/89/998723589.db2.gz CLQNDFMLYARKFN-ICSRJNTNSA-N 0 0 378.428 3.180 20 30 GGEDRN COC(=O)c1ccc2c(c1)[C@@H](C[NH2+][C@H](C(=O)[O-])c1cccc(C#N)c1)CCC2 ZINC001598989544 998723824 /nfs/dbraw/zinc/72/38/24/998723824.db2.gz CLQNDFMLYARKFN-QUCCMNQESA-N 0 0 378.428 3.180 20 30 GGEDRN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001594292782 999129537 /nfs/dbraw/zinc/12/95/37/999129537.db2.gz UGERWSHTWPAIOQ-SZGUHOMWSA-N 0 0 397.519 3.034 20 30 GGEDRN C[C@@H]1CC[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001594412980 999543820 /nfs/dbraw/zinc/54/38/20/999543820.db2.gz XCZYDTIKYBDWML-OLMNPRSZSA-N 0 0 387.480 3.167 20 30 GGEDRN CC1CC[NH+](CCc2cccc(NC(=O)N3CCC(C#N)(C(=O)[O-])CC3)c2)CC1 ZINC001594422482 999574251 /nfs/dbraw/zinc/57/42/51/999574251.db2.gz DRYHQVAZEIOGFX-UHFFFAOYSA-N 0 0 398.507 3.183 20 30 GGEDRN C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C3(CC(=O)[O-])CCC3)sc2C1 ZINC001594441471 999627149 /nfs/dbraw/zinc/62/71/49/999627149.db2.gz DHPNBIXBKKDNHO-LBPRGKRZSA-N 0 0 375.494 3.060 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C3(CC(=O)[O-])CCC3)sc2C1 ZINC001594441470 999627158 /nfs/dbraw/zinc/62/71/58/999627158.db2.gz DHPNBIXBKKDNHO-GFCCVEGCSA-N 0 0 375.494 3.060 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(CC(=O)[O-])CC3)sc2C1 ZINC001594441586 999627199 /nfs/dbraw/zinc/62/71/99/999627199.db2.gz DUWNDOVAUKJZAY-CYBMUJFWSA-N 0 0 389.521 3.260 20 30 GGEDRN C[C@H](C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C1CC1)C(=O)[O-] ZINC001594442178 999628516 /nfs/dbraw/zinc/62/85/16/999628516.db2.gz NQBGUNWDLPFCMQ-CHWSQXEVSA-N 0 0 389.521 3.258 20 30 GGEDRN C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C3(C(=O)[O-])CCCC3)sc2C1 ZINC001594442711 999630322 /nfs/dbraw/zinc/63/03/22/999630322.db2.gz YYWZCUMMLGJFDL-ZDUSSCGKSA-N 0 0 389.521 3.402 20 30 GGEDRN C=CCc1cc(C[NH2+][C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc(OC)c1O ZINC000426675632 1126081460 /nfs/dbraw/zinc/08/14/60/1126081460.db2.gz UTACIDZLMBRLEY-LJQANCHMSA-N 0 0 380.444 3.396 20 30 GGEDRN C=CCOc1cccc(C[NH2+][C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])c1 ZINC000426721952 1126082386 /nfs/dbraw/zinc/08/23/86/1126082386.db2.gz FHLNJJUSTKEPGS-FQEVSTJZSA-N 0 0 395.415 3.426 20 30 GGEDRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000426758433 1126088446 /nfs/dbraw/zinc/08/84/46/1126088446.db2.gz HZZXCRYCTIZROI-NSHDSACASA-N 0 0 399.266 3.303 20 30 GGEDRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000426745528 1126086264 /nfs/dbraw/zinc/08/62/64/1126086264.db2.gz HDCUGAFQNZKITD-LLVKDONJSA-N 0 0 399.266 3.303 20 30 GGEDRN CC(C)(C#N)c1ccc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])cc1 ZINC000593946903 1126098703 /nfs/dbraw/zinc/09/87/03/1126098703.db2.gz CFHDBBVDCNPRKM-IBGZPJMESA-N 0 0 394.471 3.435 20 30 GGEDRN COc1cc(C[NH2+][C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])ccc1C#N ZINC000864529056 1126114024 /nfs/dbraw/zinc/11/40/24/1126114024.db2.gz WMWBHOGLDNUHRZ-INIZCTEOSA-N 0 0 394.349 3.251 20 30 GGEDRN C#CCOc1ccccc1C[NH2+][C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000904033337 1126132284 /nfs/dbraw/zinc/13/22/84/1126132284.db2.gz SFNFLYOHBNXQEU-QGZVFWFLSA-N 0 0 393.361 3.383 20 30 GGEDRN N#Cc1ccc(C[NH2+][C@]2(C(=O)[O-])CCc3cc(Br)ccc3C2)o1 ZINC001601102038 1126222094 /nfs/dbraw/zinc/22/20/94/1126222094.db2.gz XGVITMRTSBUYDM-QGZVFWFLSA-N 0 0 375.222 3.016 20 30 GGEDRN Cc1[nH]nc(NC(=O)c2cc(I)c(C)cc2C)c1C#N ZINC000508753920 532765024 /nfs/dbraw/zinc/76/50/24/532765024.db2.gz JICOZWOADRXYNU-UHFFFAOYSA-N 0 0 380.189 3.064 20 30 GGEDRN CSc1nc2nc(C)c(CC(=O)Nc3ccc(C#N)c(Cl)c3)c(C)n2n1 ZINC000008331439 209134640 /nfs/dbraw/zinc/13/46/40/209134640.db2.gz OQXXFZGDFDBCFU-UHFFFAOYSA-N 0 0 386.868 3.169 20 30 GGEDRN C=CCn1c(S[C@H](C)C(=O)NC2(C#N)CCCCC2)nc2ccccc2c1=O ZINC000008282467 209134513 /nfs/dbraw/zinc/13/45/13/209134513.db2.gz CHZNIOMGPGUGCD-OAHLLOKOSA-N 0 0 396.516 3.406 20 30 GGEDRN C=CCn1c(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)nc2ccccc2c1=O ZINC000008282466 209133910 /nfs/dbraw/zinc/13/39/10/209133910.db2.gz CHZNIOMGPGUGCD-HNNXBMFYSA-N 0 0 396.516 3.406 20 30 GGEDRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C#N)c3)cc2)C1 ZINC000007265550 209130849 /nfs/dbraw/zinc/13/08/49/209130849.db2.gz CEPGSWUCUSBIPO-HZPDHXFCSA-N 0 0 397.500 3.477 20 30 GGEDRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C#N)c3)cc2)C1 ZINC000007265549 209129805 /nfs/dbraw/zinc/12/98/05/209129805.db2.gz CEPGSWUCUSBIPO-HOTGVXAUSA-N 0 0 397.500 3.477 20 30 GGEDRN COc1ccc(C)cc1-n1c2nnc(S[C@H](C)C#N)n2c2ccccc2c1=O ZINC000004500462 209121338 /nfs/dbraw/zinc/12/13/38/209121338.db2.gz IAIJKQDVIKFKPZ-CYBMUJFWSA-N 0 0 391.456 3.355 20 30 GGEDRN C=CCNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C ZINC000008747970 206244218 /nfs/dbraw/zinc/24/42/18/206244218.db2.gz VUTGPEGNQAHOBK-UHFFFAOYSA-N 0 0 378.432 3.366 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000104835085 206244510 /nfs/dbraw/zinc/24/45/10/206244510.db2.gz GHRSJZVOPZKRIR-UHFFFAOYSA-N 0 0 398.937 3.237 20 30 GGEDRN C=CCc1ccc(OCC(=O)Nc2cc(NC(C)=O)ccc2OC)c(OC)c1 ZINC000014343536 206247147 /nfs/dbraw/zinc/24/71/47/206247147.db2.gz GLCXYIREYRZWTK-UHFFFAOYSA-N 0 0 384.432 3.408 20 30 GGEDRN 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564295873 /nfs/dbraw/zinc/29/58/73/564295873.db2.gz IWVOWBWNBOUHQY-UHFFFAOYSA-N 0 0 389.209 3.308 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@](C)(C#N)C(C)C ZINC000119937722 564296133 /nfs/dbraw/zinc/29/61/33/564296133.db2.gz AYNVQLPOLCEVPE-QGZVFWFLSA-N 0 0 394.269 3.153 20 30 GGEDRN N#Cc1ccc(CN2CCN(C(=O)c3ccccc3Br)CC2)cc1 ZINC000017843243 564299397 /nfs/dbraw/zinc/29/93/97/564299397.db2.gz LTCYEMDCFRGEHH-UHFFFAOYSA-N 0 0 384.277 3.279 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2Cl)cc1 ZINC000017908395 564299471 /nfs/dbraw/zinc/29/94/71/564299471.db2.gz QRKYBTWJIGHRGD-CYBMUJFWSA-N 0 0 378.881 3.295 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(NC)s2)cc1 ZINC000017979438 564299992 /nfs/dbraw/zinc/29/99/92/564299992.db2.gz RKCGPLHXFGXYFX-UHFFFAOYSA-N 0 0 377.495 3.017 20 30 GGEDRN C=CCN(C(=O)Nc1ccc(OCCC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000120136427 564306153 /nfs/dbraw/zinc/30/61/53/564306153.db2.gz AUAGEHDLJYWKJE-AWEZNQCLSA-N 0 0 386.901 3.336 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)CCn1cc(Br)ccc1=O ZINC000120152977 564307020 /nfs/dbraw/zinc/30/70/20/564307020.db2.gz ZLIGNTFIYLZEOQ-UHFFFAOYSA-N 0 0 375.266 3.216 20 30 GGEDRN C=CCN(CC=C)C(=O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000021158409 564308761 /nfs/dbraw/zinc/30/87/61/564308761.db2.gz BYKNOCBMGXWKHC-UHFFFAOYSA-N 0 0 378.885 3.330 20 30 GGEDRN C=CCCS(=O)(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC000120218918 564309675 /nfs/dbraw/zinc/30/96/75/564309675.db2.gz HGSYSGSNBPPHEN-UHFFFAOYSA-N 0 0 379.503 3.119 20 30 GGEDRN N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(Cl)cc2Cl)nc1N ZINC000021424546 564310040 /nfs/dbraw/zinc/31/00/40/564310040.db2.gz HUNZKUXBQFPCAH-UHFFFAOYSA-N 0 0 378.244 3.445 20 30 GGEDRN C=CCn1c2nnc(SCc3nnsc3Cl)n2c2ccccc2c1=O ZINC000021245917 564310079 /nfs/dbraw/zinc/31/00/79/564310079.db2.gz CFOQODPQYKTIKE-UHFFFAOYSA-N 0 0 390.881 3.027 20 30 GGEDRN N#Cc1cc(C#N)c(SCC(=O)Nc2cc(Cl)ccc2Cl)nc1N ZINC000021424353 564310101 /nfs/dbraw/zinc/31/01/01/564310101.db2.gz VHKZYNBHKQGTSR-UHFFFAOYSA-N 0 0 378.244 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UDWMVVZQCOKGJW-UHFFFAOYSA-N 0 0 395.278 3.150 20 30 GGEDRN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)CCC#N ZINC000120412800 564318934 /nfs/dbraw/zinc/31/89/34/564318934.db2.gz WXLUPTDWTBJPSI-AWEZNQCLSA-N 0 0 388.320 3.217 20 30 GGEDRN N#Cc1cccc(CNC(=O)Cc2cccc(I)c2)c1 ZINC000120421141 564319574 /nfs/dbraw/zinc/31/95/74/564319574.db2.gz WPJGMAAJDMDWNT-UHFFFAOYSA-N 0 0 376.197 3.022 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccnc(-n2cccn2)c1)c1cccc(Br)c1 ZINC000120440590 564319738 /nfs/dbraw/zinc/31/97/38/564319738.db2.gz CEBBLGHWEDGFAL-OAHLLOKOSA-N 0 0 382.221 3.024 20 30 GGEDRN N#C[C@@H](NC(=O)CCCc1nc(C2CC2)no1)c1cccc(Br)c1 ZINC000120438770 564320014 /nfs/dbraw/zinc/32/00/14/564320014.db2.gz LDSDUAPGYQGRTC-CQSZACIVSA-N 0 0 389.253 3.413 20 30 GGEDRN COc1ccc(C(=O)NCc2ccc(C#N)cc2)c(I)c1 ZINC000120430593 564320053 /nfs/dbraw/zinc/32/00/53/564320053.db2.gz HXQCVWVQCLTBOD-UHFFFAOYSA-N 0 0 392.196 3.101 20 30 GGEDRN COc1c(Br)cc(Cl)cc1NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000022812951 564320360 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N#C[C@@H](NC(=O)c1cccc(-c2nc[nH]n2)c1)c1cccc(Br)c1 ZINC000120668637 564331746 /nfs/dbraw/zinc/33/17/46/564331746.db2.gz RHUIGBOKBBKEAQ-OAHLLOKOSA-N 0 0 382.221 3.229 20 30 GGEDRN COCCN(CCC#N)C(=O)c1cc(C(F)(F)F)ccc1Br ZINC000120734985 564334627 /nfs/dbraw/zinc/33/46/27/564334627.db2.gz DMGQOOWWMDTVIN-UHFFFAOYSA-N 0 0 379.176 3.470 20 30 GGEDRN C=CCNc1nnc(S[C@H](C)C(=O)NC(=O)Nc2ccccc2F)s1 ZINC000025079042 564335938 /nfs/dbraw/zinc/33/59/38/564335938.db2.gz WUIUVDFJHSTVEF-SECBINFHSA-N 0 0 381.458 3.104 20 30 GGEDRN C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000120842523 564340243 /nfs/dbraw/zinc/34/02/43/564340243.db2.gz VTZCYVKOIQGSGZ-NSHDSACASA-N 0 0 377.901 3.089 20 30 GGEDRN C=CCn1c(SC[C@@H](O)COCc2cccs2)nnc1-c1ccco1 ZINC000120914102 564343352 /nfs/dbraw/zinc/34/33/52/564343352.db2.gz MUPPUVVECJFZBZ-ZDUSSCGKSA-N 0 0 377.491 3.455 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)c1Br ZINC000120960385 564346259 /nfs/dbraw/zinc/34/62/59/564346259.db2.gz JGEUPZKSQUUOMB-UHFFFAOYSA-N 0 0 386.249 3.226 20 30 GGEDRN Cc1nc(CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)oc1C ZINC000120980346 564347208 /nfs/dbraw/zinc/34/72/08/564347208.db2.gz CLCAKTDHABHVHJ-QGZVFWFLSA-N 0 0 389.297 3.436 20 30 GGEDRN Cc1cc(CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)no1 ZINC000120980056 564347240 /nfs/dbraw/zinc/34/72/40/564347240.db2.gz AWTZHSGQEKSMBT-QGZVFWFLSA-N 0 0 375.270 3.128 20 30 GGEDRN C=CCNC(=O)NC(=O)[C@@H](C)Sc1nccn1-c1cccc(Cl)c1C ZINC000026539291 564347885 /nfs/dbraw/zinc/34/78/85/564347885.db2.gz PSODPUXTLPGNCY-GFCCVEGCSA-N 0 0 378.885 3.327 20 30 GGEDRN Cc1ccc(Br)c(NS(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000121028161 564349081 /nfs/dbraw/zinc/34/90/81/564349081.db2.gz NHRJOYISIXIQCG-UHFFFAOYSA-N 0 0 396.222 3.338 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000026758876 564349125 /nfs/dbraw/zinc/34/91/25/564349125.db2.gz GASZUJNZMYJXFC-UHFFFAOYSA-N 0 0 384.910 3.186 20 30 GGEDRN N#Cc1ccc(NC(=O)COc2cccc(I)c2)cc1 ZINC000027251927 564352801 /nfs/dbraw/zinc/35/28/01/564352801.db2.gz JKGZFCRGTHNYOR-UHFFFAOYSA-N 0 0 378.169 3.180 20 30 GGEDRN N#Cc1ccc(NC(=O)CSc2nnnn2C2CCCCC2)cc1Cl ZINC000027810955 564357245 /nfs/dbraw/zinc/35/72/45/564357245.db2.gz BIYQFOMTNBFQCG-UHFFFAOYSA-N 0 0 376.873 3.434 20 30 GGEDRN COC(=O)c1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c(F)cc1F ZINC000121197914 564359112 /nfs/dbraw/zinc/35/91/12/564359112.db2.gz IKOUYNPMYLYVBT-UHFFFAOYSA-N 0 0 386.763 3.077 20 30 GGEDRN Cn1cc(Br)cc(NC(=O)N[C@@H](CCC#N)c2ccccc2)c1=O ZINC000121289751 564362579 /nfs/dbraw/zinc/36/25/79/564362579.db2.gz MSEXLRXGFZEROM-AWEZNQCLSA-N 0 0 389.253 3.314 20 30 GGEDRN N#Cc1ccsc1NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000121344854 564364423 /nfs/dbraw/zinc/36/44/23/564364423.db2.gz FVYLXIQGPNLCTN-UHFFFAOYSA-N 0 0 375.475 3.093 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000121370630 564366041 /nfs/dbraw/zinc/36/60/41/564366041.db2.gz FWDKNQMMFZRCHW-UHFFFAOYSA-N 0 0 390.212 3.057 20 30 GGEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000029048064 564366067 /nfs/dbraw/zinc/36/60/67/564366067.db2.gz LQIFBKJVDAVGNG-CQSZACIVSA-N 0 0 392.228 3.204 20 30 GGEDRN C=CCN(C)C(=O)C(=O)Nc1ccnc(Oc2ccccc2Br)c1 ZINC000121375640 564366540 /nfs/dbraw/zinc/36/65/40/564366540.db2.gz DBZMUMFZJYLWLU-UHFFFAOYSA-N 0 0 390.237 3.219 20 30 GGEDRN C=CCC(CC=C)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000121398261 564367489 /nfs/dbraw/zinc/36/74/89/564367489.db2.gz ZRCMRKIXZKDULY-UHFFFAOYSA-N 0 0 376.400 3.234 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2cncc(Br)c2)cc1 ZINC000029202116 564367874 /nfs/dbraw/zinc/36/78/74/564367874.db2.gz BBYICYPIXYZYFO-UHFFFAOYSA-N 0 0 375.226 3.404 20 30 GGEDRN N#Cc1ccc(NC(=O)CNc2cccc(I)c2)cc1 ZINC000029396773 564369583 /nfs/dbraw/zinc/36/95/83/564369583.db2.gz ILELCROCSAVTCA-UHFFFAOYSA-N 0 0 377.185 3.213 20 30 GGEDRN C=CCCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)C(F)F)ccc1NCC ZINC000121488086 564371847 /nfs/dbraw/zinc/37/18/47/564371847.db2.gz XWFWODLPDPROOI-LLVKDONJSA-N 0 0 376.425 3.034 20 30 GGEDRN CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000121532295 564372392 /nfs/dbraw/zinc/37/23/92/564372392.db2.gz WFVBNQHVVLYMFS-UHFFFAOYSA-N 0 0 377.853 3.071 20 30 GGEDRN CCCS(=O)(=O)N1CCC(Nc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000121512302 564372416 /nfs/dbraw/zinc/37/24/16/564372416.db2.gz RVIGJDMLIYIRNZ-UHFFFAOYSA-N 0 0 375.416 3.193 20 30 GGEDRN COc1cc(C#N)ccc1CN(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000121544748 564373617 /nfs/dbraw/zinc/37/36/17/564373617.db2.gz GIVXKCDCYFSNLD-MRXNPFEDSA-N 0 0 376.865 3.181 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCc2nc(C(F)(F)F)cs2)cc1Cl ZINC000121572076 564375131 /nfs/dbraw/zinc/37/51/31/564375131.db2.gz CUCXHUIHZMILHR-UHFFFAOYSA-N 0 0 381.788 3.165 20 30 GGEDRN CCCC(C#N)(CCC)NC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000121600836 564376668 /nfs/dbraw/zinc/37/66/68/564376668.db2.gz MMCZCDVPLAGEOX-UHFFFAOYSA-N 0 0 384.274 3.093 20 30 GGEDRN Cc1ccc(Br)cc1NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000121593752 564376859 /nfs/dbraw/zinc/37/68/59/564376859.db2.gz FJNDHVSLNWWIHI-UHFFFAOYSA-N 0 0 376.185 3.346 20 30 GGEDRN CN(CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(Br)o1 ZINC000030213314 564376853 /nfs/dbraw/zinc/37/68/53/564376853.db2.gz DWVOUSMIORQSCR-UHFFFAOYSA-N 0 0 376.254 3.421 20 30 GGEDRN Cc1ccc(Br)cc1NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000121603521 564377612 /nfs/dbraw/zinc/37/76/12/564377612.db2.gz JTBKOJQQDIDJOF-UHFFFAOYSA-N 0 0 376.185 3.346 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)Cc2cccc(I)c2)n1 ZINC000121603983 564377863 /nfs/dbraw/zinc/37/78/63/564377863.db2.gz GCFHTGYVSNFATO-UHFFFAOYSA-N 0 0 394.216 3.121 20 30 GGEDRN COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000030360051 564379790 /nfs/dbraw/zinc/37/97/90/564379790.db2.gz UCZXLRJPTHFKLP-NSHDSACASA-N 0 0 395.278 3.369 20 30 GGEDRN COc1ccc([C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1Br ZINC000030428389 564380438 /nfs/dbraw/zinc/38/04/38/564380438.db2.gz LLOPHSAMSBLFDP-LLVKDONJSA-N 0 0 395.278 3.369 20 30 GGEDRN COc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2C#N)cc1Br ZINC000030428374 564380667 /nfs/dbraw/zinc/38/06/67/564380667.db2.gz RPKAHGFWWVAKMN-LLVKDONJSA-N 0 0 395.278 3.369 20 30 GGEDRN C[C@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 ZINC000121681448 564381236 /nfs/dbraw/zinc/38/12/36/564381236.db2.gz FDGMZBGTMUPAIG-NSHDSACASA-N 0 0 376.243 3.472 20 30 GGEDRN Cc1cc(S(=O)(=O)N(C)Cc2cccc(C#N)c2)ccc1Br ZINC000030522286 564382396 /nfs/dbraw/zinc/38/23/96/564382396.db2.gz UMIQLBUPXZJVKD-UHFFFAOYSA-N 0 0 379.279 3.450 20 30 GGEDRN COc1ccc(S(=O)(=O)N(C)Cc2ccc(C#N)cc2)cc1Br ZINC000030522949 564382403 /nfs/dbraw/zinc/38/24/03/564382403.db2.gz LGGQXDCUOINQBS-UHFFFAOYSA-N 0 0 395.278 3.150 20 30 GGEDRN COc1ccc(Br)cc1S(=O)(=O)N(C)Cc1cccc(C#N)c1 ZINC000030522242 564382537 /nfs/dbraw/zinc/38/25/37/564382537.db2.gz LNKYHLAFPVDXCZ-UHFFFAOYSA-N 0 0 395.278 3.150 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(C)cn1 ZINC000031215442 564387480 /nfs/dbraw/zinc/38/74/80/564387480.db2.gz MLYMOBQUFLSUQD-UHFFFAOYSA-N 0 0 390.237 3.440 20 30 GGEDRN N#Cc1ccc(NC(=O)COc2ccccc2I)cc1 ZINC000031656178 564389925 /nfs/dbraw/zinc/38/99/25/564389925.db2.gz KXOJSACHHXTJLM-UHFFFAOYSA-N 0 0 378.169 3.180 20 30 GGEDRN CN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000121876091 564390561 /nfs/dbraw/zinc/39/05/61/564390561.db2.gz YVABULJHBGNRLY-HNNXBMFYSA-N 0 0 375.837 3.204 20 30 GGEDRN CN(C(=O)Nc1ccc(C#N)cc1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000121875934 564390614 /nfs/dbraw/zinc/39/06/14/564390614.db2.gz YVABULJHBGNRLY-OAHLLOKOSA-N 0 0 375.837 3.204 20 30 GGEDRN N#CCc1ccc(NC(=O)COc2ccccc2I)cc1 ZINC000031656987 564390599 /nfs/dbraw/zinc/39/05/99/564390599.db2.gz RVFMZOWZHXWMJI-UHFFFAOYSA-N 0 0 392.196 3.375 20 30 GGEDRN N#CC1(NC(=O)COc2ccccc2I)CCCCC1 ZINC000031656636 564390952 /nfs/dbraw/zinc/39/09/52/564390952.db2.gz KJTCOSKNBCVBME-UHFFFAOYSA-N 0 0 384.217 3.013 20 30 GGEDRN C=CCn1c(=S)sc2c1ncn(Cc1noc(-c3ccsc3)n1)c2=O ZINC000031759245 564392776 /nfs/dbraw/zinc/39/27/76/564392776.db2.gz AFPLWUHEKWEDHS-UHFFFAOYSA-N 0 0 389.487 3.335 20 30 GGEDRN C=CCNC(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC000031812806 564393943 /nfs/dbraw/zinc/39/39/43/564393943.db2.gz OAXVUJWLCAEIHD-SFHVURJKSA-N 0 0 387.277 3.151 20 30 GGEDRN C=CCOc1ccccc1C(=O)Nc1nnc(SCC(=O)OCC)s1 ZINC000031908638 564394380 /nfs/dbraw/zinc/39/43/80/564394380.db2.gz ADSHBVKYOWZZPY-UHFFFAOYSA-N 0 0 379.463 3.010 20 30 GGEDRN Cc1ccccc1NC(=O)[C@H](C#N)c1nc2ccc(Br)cc2c(=O)[nH]1 ZINC000121980903 564395182 /nfs/dbraw/zinc/39/51/82/564395182.db2.gz SJSDQRMETPACDV-CYBMUJFWSA-N 0 0 397.232 3.240 20 30 GGEDRN COc1ccc(OC)c2c1CN(c1ccc(C#N)cc1Br)C[C@@H]2O ZINC000122064999 564398996 /nfs/dbraw/zinc/39/89/96/564398996.db2.gz IGIFQZHOGZYSLN-HNNXBMFYSA-N 0 0 389.249 3.392 20 30 GGEDRN CC(=O)Nc1ccc(O)c(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 ZINC000122096560 564400144 /nfs/dbraw/zinc/40/01/44/564400144.db2.gz PRRAHGYJPFIXOL-HNNXBMFYSA-N 0 0 388.221 3.108 20 30 GGEDRN Cc1c(C(=O)N[C@@H](C#N)C(C)(C)C)nnn1-c1cccc(Br)c1 ZINC000122152438 564402293 /nfs/dbraw/zinc/40/22/93/564402293.db2.gz FUHBFJQEFCFSKI-ZDUSSCGKSA-N 0 0 376.258 3.006 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000122225472 564405523 /nfs/dbraw/zinc/40/55/23/564405523.db2.gz QCVOPROJSKQUQR-QGZVFWFLSA-N 0 0 385.917 3.085 20 30 GGEDRN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C#N)C(C)(C)C)c1 ZINC000122334962 564409659 /nfs/dbraw/zinc/40/96/59/564409659.db2.gz ARSUIIBAMNOPOK-AWEZNQCLSA-N 0 0 385.917 3.085 20 30 GGEDRN C[C@H](NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000033178911 564410543 /nfs/dbraw/zinc/41/05/43/564410543.db2.gz JXZYCPUSCVCAJR-ZDUSSCGKSA-N 0 0 376.865 3.253 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1nccs1 ZINC000033145759 564410875 /nfs/dbraw/zinc/41/08/75/564410875.db2.gz VVXTXKSLLNPCNP-UHFFFAOYSA-N 0 0 382.239 3.193 20 30 GGEDRN CC(C)(C)[C@H](C#N)NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000122422488 564412569 /nfs/dbraw/zinc/41/25/69/564412569.db2.gz ODACJPMLKJNOIH-RCDICMHDSA-N 0 0 385.327 3.391 20 30 GGEDRN CC(C)(C)[C@@H](C#N)NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000122421934 564412761 /nfs/dbraw/zinc/41/27/61/564412761.db2.gz ODACJPMLKJNOIH-PEBXRYMYSA-N 0 0 385.327 3.391 20 30 GGEDRN COc1ccc(Br)cc1CN(c1ccc(C#N)cc1)S(C)(=O)=O ZINC000122482427 564415494 /nfs/dbraw/zinc/41/54/94/564415494.db2.gz UGASIMDRJBEJEP-UHFFFAOYSA-N 0 0 395.278 3.296 20 30 GGEDRN N#CCCN(CC1CC1)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000122545282 564418284 /nfs/dbraw/zinc/41/82/84/564418284.db2.gz MRKJLPLVNYQUDP-UHFFFAOYSA-N 0 0 389.257 3.187 20 30 GGEDRN Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C/c1ccc(Cl)c(F)c1 ZINC000122648357 564422022 /nfs/dbraw/zinc/42/20/22/564422022.db2.gz CJABQEMCXSHYLN-FNORWQNLSA-N 0 0 384.860 3.233 20 30 GGEDRN N#Cc1ccc(OC[C@@H](O)CNc2ccc(I)cc2)cc1 ZINC000037856908 564422097 /nfs/dbraw/zinc/42/20/97/564422097.db2.gz HAMKCIMSPRGMQM-HNNXBMFYSA-N 0 0 394.212 3.015 20 30 GGEDRN CCOC(=O)CN(CC(F)(F)F)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000122686629 564422900 /nfs/dbraw/zinc/42/29/00/564422900.db2.gz VIMYFUZUMCFTDB-UHFFFAOYSA-N 0 0 375.240 3.412 20 30 GGEDRN CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000122672195 564422961 /nfs/dbraw/zinc/42/29/61/564422961.db2.gz FSVPZHKEJMIRGO-UHFFFAOYSA-N 0 0 378.841 3.146 20 30 GGEDRN C=CCOc1c(Br)cc(CN2CCC[C@H]2C(=O)N(C)C)cc1OC ZINC000122684412 564423445 /nfs/dbraw/zinc/42/34/45/564423445.db2.gz IDOUSHXMXWPLAX-HNNXBMFYSA-N 0 0 397.313 3.075 20 30 GGEDRN CC(C)(C)[C@H](C#N)NC(=O)c1cc(F)c(F)cc1I ZINC000122695678 564423771 /nfs/dbraw/zinc/42/37/71/564423771.db2.gz WVBVFIRIYWNWLM-NSHDSACASA-N 0 0 378.160 3.237 20 30 GGEDRN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1sc3c(c1C#N)CCCCC3)CS2 ZINC000122763026 564426598 /nfs/dbraw/zinc/42/65/98/564426598.db2.gz RGDDOOPZSQICMA-FZKQIMNGSA-N 0 0 375.519 3.281 20 30 GGEDRN CN(C(=O)COc1c(Br)cccc1[N+](=O)[O-])C1(C#N)CCCCC1 ZINC000122778120 564426611 /nfs/dbraw/zinc/42/66/11/564426611.db2.gz HXSBTLJJOHEDDD-UHFFFAOYSA-N 0 0 396.241 3.421 20 30 GGEDRN N#Cc1ccc(CNS(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000040447022 564428070 /nfs/dbraw/zinc/42/80/70/564428070.db2.gz 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565087509 /nfs/dbraw/zinc/08/75/09/565087509.db2.gz RCCBUUBXUAMXBL-UONOGXRCSA-N 0 0 377.535 3.231 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)N2CCC(c3ncccc3Cl)CC2)c1 ZINC000369359477 565089391 /nfs/dbraw/zinc/08/93/91/565089391.db2.gz SDIGMNGWKJYVQF-UHFFFAOYSA-N 0 0 375.881 3.316 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCc2nc(C(F)(F)F)cs2)c(Cl)c1 ZINC000183716697 565090913 /nfs/dbraw/zinc/09/09/13/565090913.db2.gz WZGQYQZKINNTMA-UHFFFAOYSA-N 0 0 381.788 3.165 20 30 GGEDRN CSC[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000292010750 565092133 /nfs/dbraw/zinc/09/21/33/565092133.db2.gz VVROPQMGSSFDON-LLVKDONJSA-N 0 0 378.441 3.341 20 30 GGEDRN C=CCN(C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000266868877 565093911 /nfs/dbraw/zinc/09/39/11/565093911.db2.gz JQYOHMZIVQVXJC-AAEUAGOBSA-N 0 0 376.305 3.299 20 30 GGEDRN NC(=NOCc1cccc(Br)n1)c1cccnc1N1CCCCC1 ZINC000292086170 565097735 /nfs/dbraw/zinc/09/77/35/565097735.db2.gz NCWZHOYMZPOJBD-UHFFFAOYSA-N 0 0 390.285 3.067 20 30 GGEDRN 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C=C(Br)CN1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000158431086 565170101 /nfs/dbraw/zinc/17/01/01/565170101.db2.gz HIIKPNKURUBWIQ-GFCCVEGCSA-N 0 0 393.281 3.209 20 30 GGEDRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@H]1CCCN(CC#N)C1 ZINC000268957007 565173322 /nfs/dbraw/zinc/17/33/22/565173322.db2.gz AJEOXLDLFLYXSP-UKRRQHHQSA-N 0 0 396.304 3.119 20 30 GGEDRN Cc1ccc([C@@H](C)NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1[N+](=O)[O-] ZINC000185071904 565176447 /nfs/dbraw/zinc/17/64/47/565176447.db2.gz WAQGJSDDMBVURZ-LLVKDONJSA-N 0 0 379.825 3.468 20 30 GGEDRN Cc1ccc([C@H](C)NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1[N+](=O)[O-] ZINC000185071920 565176781 /nfs/dbraw/zinc/17/67/81/565176781.db2.gz WAQGJSDDMBVURZ-NSHDSACASA-N 0 0 379.825 3.468 20 30 GGEDRN CSC[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000269098143 565177742 /nfs/dbraw/zinc/17/77/42/565177742.db2.gz HARCBMPANRILPQ-UONOGXRCSA-N 0 0 377.535 3.231 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)cc1F ZINC000293641040 565179048 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Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c(Br)n1 ZINC000371360761 565189171 /nfs/dbraw/zinc/18/91/71/565189171.db2.gz PJNHPUNPXGWMMV-MRXNPFEDSA-N 0 0 386.249 3.238 20 30 GGEDRN N#CC1(CS(=O)(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000185250592 565190593 /nfs/dbraw/zinc/19/05/93/565190593.db2.gz JQJYTFFEIHFFFK-AWEZNQCLSA-N 0 0 390.452 3.429 20 30 GGEDRN N#CC1(CS(=O)(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000185250607 565190870 /nfs/dbraw/zinc/19/08/70/565190870.db2.gz JQJYTFFEIHFFFK-CQSZACIVSA-N 0 0 390.452 3.429 20 30 GGEDRN COC[C@@](C)(C#N)NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000269506606 565193252 /nfs/dbraw/zinc/19/32/52/565193252.db2.gz CAPYUIRSOQSKLT-QGZVFWFLSA-N 0 0 393.237 3.280 20 30 GGEDRN Cn1ncc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1I ZINC000293999319 565193970 /nfs/dbraw/zinc/19/39/70/565193970.db2.gz JLBVBLQOMQCPGF-UHFFFAOYSA-N 0 0 394.216 3.078 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)Cc2sc(=S)[nH]c2C)cc1C#N ZINC000269776250 565199806 /nfs/dbraw/zinc/19/98/06/565199806.db2.gz 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N#C[C@H](NS(=O)(=O)c1ccc(F)cc1Br)C1CCCCC1 ZINC000161176697 565276579 /nfs/dbraw/zinc/27/65/79/565276579.db2.gz NCFMCTMVQKWXFZ-ZDUSSCGKSA-N 0 0 375.263 3.339 20 30 GGEDRN CS(=O)(=O)c1ccccc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000161183330 565276681 /nfs/dbraw/zinc/27/66/81/565276681.db2.gz OKYYZXVQYYJKOC-AWEZNQCLSA-N 0 0 383.256 3.392 20 30 GGEDRN COc1ccc(S(=O)(=O)N[C@H](C#N)C2CCCCC2)cc1Br ZINC000161165577 565276759 /nfs/dbraw/zinc/27/67/59/565276759.db2.gz BAKIKNSLBAHOGS-CQSZACIVSA-N 0 0 387.299 3.208 20 30 GGEDRN C[C@@]12CCC(=O)N1[C@@H](C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)CS2 ZINC000161200578 565276800 /nfs/dbraw/zinc/27/68/00/565276800.db2.gz VDBGPJZKZUDGSP-WOSRLPQWSA-N 0 0 384.288 3.128 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc(CCNc2nc(C)ccc2C#N)s1 ZINC000161202049 565276822 /nfs/dbraw/zinc/27/68/22/565276822.db2.gz XFSXEWZPCDOQEG-UHFFFAOYSA-N 0 0 378.523 3.008 20 30 GGEDRN C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)CS2 ZINC000161200712 565277001 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ZINC000186703056 565279490 /nfs/dbraw/zinc/27/94/90/565279490.db2.gz JTXCUEIUIYTNGI-UHFFFAOYSA-N 0 0 395.253 3.207 20 30 GGEDRN N#C[C@@H](NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1F ZINC000161406387 565284246 /nfs/dbraw/zinc/28/42/46/565284246.db2.gz SAQLTYQPNRWXGW-MRXNPFEDSA-N 0 0 380.828 3.024 20 30 GGEDRN N#CCN1CCC[C@H](CNC(=O)CSCc2ccc(Br)cc2)C1 ZINC000295756079 565285269 /nfs/dbraw/zinc/28/52/69/565285269.db2.gz HJXZUJHVWFMKHO-OAHLLOKOSA-N 0 0 396.354 3.034 20 30 GGEDRN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@](C)(C#N)C(C)(C)C)cc1Cl ZINC000272364895 565285565 /nfs/dbraw/zinc/28/55/65/565285565.db2.gz FVCZZTWFAAIVCX-OAHLLOKOSA-N 0 0 375.853 3.044 20 30 GGEDRN CC(C)(C)[C@@](C)(C#N)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000272387227 565285956 /nfs/dbraw/zinc/28/59/56/565285956.db2.gz GMFMJQMMUSGTDA-QGZVFWFLSA-N 0 0 380.286 3.014 20 30 GGEDRN COc1cccc(OC)c1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000161516728 565286866 /nfs/dbraw/zinc/28/68/66/565286866.db2.gz BQKRVDMFHHFIIQ-ZDUSSCGKSA-N 0 0 375.222 3.461 20 30 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HTJYVEAOUKTQKB-CQSZACIVSA-N 0 0 375.519 3.124 20 30 GGEDRN CC1(C#N)CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1 ZINC000272636126 565292471 /nfs/dbraw/zinc/29/24/71/565292471.db2.gz WUGVWKYKRKJGPG-UHFFFAOYSA-N 0 0 375.519 3.339 20 30 GGEDRN C[C@H](CC#N)N(C)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000186900234 565294029 /nfs/dbraw/zinc/29/40/29/565294029.db2.gz QBRGKWSVHTYHEU-HIFRSBDPSA-N 0 0 386.901 3.211 20 30 GGEDRN N#CCN1CCC[C@@H](CNC(=O)C2(Cc3ccccc3Br)CC2)C1 ZINC000295957186 565294638 /nfs/dbraw/zinc/29/46/38/565294638.db2.gz UXEOYRCOWKWQLQ-HNNXBMFYSA-N 0 0 390.325 3.124 20 30 GGEDRN N#CCN1CCC[C@H](CNC(=O)C2(Cc3ccccc3Br)CC2)C1 ZINC000295957190 565294803 /nfs/dbraw/zinc/29/48/03/565294803.db2.gz UXEOYRCOWKWQLQ-OAHLLOKOSA-N 0 0 390.325 3.124 20 30 GGEDRN CCN(c1ccc(C#N)c(Cl)c1)S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000295937829 565294940 /nfs/dbraw/zinc/29/49/40/565294940.db2.gz KVCXSHCCFBXURY-UHFFFAOYSA-N 0 0 392.790 3.179 20 30 GGEDRN N#CC1(C(=O)NCc2c(Br)cncc2Br)CCCC1 ZINC000295997172 565297224 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Cc1nc(CN2CCN(c3ccc(Br)cc3C#N)CC2)oc1C ZINC000272832122 565299322 /nfs/dbraw/zinc/29/93/22/565299322.db2.gz LHKZOQWMRVQAIZ-UHFFFAOYSA-N 0 0 375.270 3.248 20 30 GGEDRN CCn1ccnc1[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000373725591 565299386 /nfs/dbraw/zinc/29/93/86/565299386.db2.gz ITTIGPJOOUZHRC-HNNXBMFYSA-N 0 0 378.885 3.344 20 30 GGEDRN N#Cc1cc(Br)ccc1N1CCC(C(=O)NCc2cccnc2)CC1 ZINC000272884920 565300870 /nfs/dbraw/zinc/30/08/70/565300870.db2.gz WLDKGSWKGVBRCY-UHFFFAOYSA-N 0 0 399.292 3.249 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)Nc1ccc(Br)cc1C(C)C ZINC000272869097 565301255 /nfs/dbraw/zinc/30/12/55/565301255.db2.gz RHJAWFRUKXGVPY-UHFFFAOYSA-N 0 0 389.315 3.295 20 30 GGEDRN Cc1nn(C[C@@](C)(O)c2ccc(Br)cc2Cl)c(=O)c(C#N)c1C ZINC000296115010 565302302 /nfs/dbraw/zinc/30/23/02/565302302.db2.gz LEMWSEDLXFPZLA-MRXNPFEDSA-N 0 0 396.672 3.055 20 30 GGEDRN CCO[C@H](C)c1nc(CS(=O)(=O)Cc2ccc(OC)c(C#N)c2)cs1 ZINC000162061650 565302607 /nfs/dbraw/zinc/30/26/07/565302607.db2.gz COPJHIWVIYNCCY-GFCCVEGCSA-N 0 0 380.491 3.236 20 30 GGEDRN CC(C)(CC#N)CS(=O)(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000296121446 565302942 /nfs/dbraw/zinc/30/29/42/565302942.db2.gz RXBLXAZTVDRACC-ZDUSSCGKSA-N 0 0 387.299 3.132 20 30 GGEDRN N#CCCCS(=O)(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000373788552 565302985 /nfs/dbraw/zinc/30/29/85/565302985.db2.gz LBJOBEAOJJKYMV-HAQNSBGRSA-N 0 0 375.263 3.057 20 30 GGEDRN N#CCCN(CCC#N)S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000187025456 565303208 /nfs/dbraw/zinc/30/32/08/565303208.db2.gz JWOXDDRYTZMUCV-UHFFFAOYSA-N 0 0 381.885 3.337 20 30 GGEDRN Cc1c(NC(=O)c2ccc(Br)cc2C#N)cnn1C1CCOCC1 ZINC000296122233 565303229 /nfs/dbraw/zinc/30/32/29/565303229.db2.gz OGYRARLNLMXVFT-UHFFFAOYSA-N 0 0 389.253 3.430 20 30 GGEDRN N#CCC1(CNC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000373780673 565303416 /nfs/dbraw/zinc/30/34/16/565303416.db2.gz DYKJUCXVQJBVNI-CYBMUJFWSA-N 0 0 381.263 3.092 20 30 GGEDRN CC[C@](C)(C#N)NC(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000162070994 565303870 /nfs/dbraw/zinc/30/38/70/565303870.db2.gz JOOISASJGSVWQS-APPDUMDISA-N 0 0 378.523 3.032 20 30 GGEDRN N#CCCN(CC(F)(F)F)S(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC000296138981 565304365 /nfs/dbraw/zinc/30/43/65/565304365.db2.gz ZOXGPZQJUQVUEZ-UHFFFAOYSA-N 0 0 377.775 3.355 20 30 GGEDRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)NCCCC#N)C1 ZINC000273008324 565304477 /nfs/dbraw/zinc/30/44/77/565304477.db2.gz ISXKVPDQMWAWHY-AWEZNQCLSA-N 0 0 392.297 3.030 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000187042611 565304964 /nfs/dbraw/zinc/30/49/64/565304964.db2.gz WQVSSAPHUNTIKZ-LLVKDONJSA-N 0 0 377.436 3.133 20 30 GGEDRN CNC(=O)CC1S/C(=N/c2ccc(Cl)c(Cl)c2)N(CCCC#N)C1=O ZINC000273070790 565306536 /nfs/dbraw/zinc/30/65/36/565306536.db2.gz VKPOKVMSYPUYAG-JEEMYIIMSA-N 0 0 399.303 3.365 20 30 GGEDRN COCCCn1cc(C)c(NC(=O)c2ccc(Br)cc2C#N)n1 ZINC000296188906 565306969 /nfs/dbraw/zinc/30/69/69/565306969.db2.gz MGGNNGXILHBOOT-UHFFFAOYSA-N 0 0 377.242 3.115 20 30 GGEDRN N#CC1(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CCSCC1 ZINC000162159120 565307071 /nfs/dbraw/zinc/30/70/71/565307071.db2.gz HZHINTFBQZHGCN-UHFFFAOYSA-N 0 0 376.869 3.228 20 30 GGEDRN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000373871911 565307390 /nfs/dbraw/zinc/30/73/90/565307390.db2.gz ZDEBYJOWJPTVHQ-BLLLJJGKSA-N 0 0 381.548 3.093 20 30 GGEDRN COc1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc1OC ZINC000162183327 565308501 /nfs/dbraw/zinc/30/85/01/565308501.db2.gz ODPHAJUXUYKOAH-CQSZACIVSA-N 0 0 375.222 3.461 20 30 GGEDRN N#C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000162195001 565308721 /nfs/dbraw/zinc/30/87/21/565308721.db2.gz YSMOAQUYZFTLGV-OAHLLOKOSA-N 0 0 390.193 3.117 20 30 GGEDRN CC(C)n1cnnc1SCC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000162198312 565309068 /nfs/dbraw/zinc/30/90/68/565309068.db2.gz FYCKJDFPSUYHJU-ZDUSSCGKSA-N 0 0 394.298 3.095 20 30 GGEDRN C[C@@H](c1ncc(Br)cn1)N1CCCN(c2ccccc2C#N)CC1 ZINC000373903508 565309059 /nfs/dbraw/zinc/30/90/59/565309059.db2.gz 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/nfs/dbraw/zinc/53/62/87/565536287.db2.gz UMOVSKABTIQJOL-UHFFFAOYSA-N 0 0 394.294 3.183 20 30 GGEDRN N#Cc1ccc([N+](=O)[O-])c(NC[C@H](O)COc2ccccc2Br)c1 ZINC000302227073 565536765 /nfs/dbraw/zinc/53/67/65/565536765.db2.gz WQBRYPNVTMFRFS-LBPRGKRZSA-N 0 0 392.209 3.081 20 30 GGEDRN Cc1cc(S(=O)(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)ccc1C#N ZINC000278061942 565536880 /nfs/dbraw/zinc/53/68/80/565536880.db2.gz SHHZEBYZHHXHTC-DOTOQJQBSA-N 0 0 376.503 3.205 20 30 GGEDRN COc1ccc(OC)c2c1CN(c1ccc(Br)cc1C#N)C[C@H]2O ZINC000302210486 565536833 /nfs/dbraw/zinc/53/68/33/565536833.db2.gz YIXVMUXAFCDJHV-OAHLLOKOSA-N 0 0 389.249 3.392 20 30 GGEDRN N#CCCCNC(=O)NCc1ccc(Cl)cc1I ZINC000278060811 565536942 /nfs/dbraw/zinc/53/69/42/565536942.db2.gz FHQODIZFTHFHRP-UHFFFAOYSA-N 0 0 377.613 3.048 20 30 GGEDRN CCOC1CC(CNc2ccc(Br)cc2C#N)(N2CCOCC2)C1 ZINC000278103429 565539471 /nfs/dbraw/zinc/53/94/71/565539471.db2.gz WTUHPUBWDGKALN-UHFFFAOYSA-N 0 0 394.313 3.003 20 30 GGEDRN Cc1ccc(I)cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000380323756 565539954 /nfs/dbraw/zinc/53/99/54/565539954.db2.gz ZYBKVWHQRBBDEV-UHFFFAOYSA-N 0 0 398.225 3.272 20 30 GGEDRN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)c1snc(Cl)c1C#N ZINC000302390957 565541144 /nfs/dbraw/zinc/54/11/44/565541144.db2.gz IILRSWORZRIWQR-LLVKDONJSA-N 0 0 396.925 3.405 20 30 GGEDRN C=C(Cl)CNC(=O)C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000278187678 565544056 /nfs/dbraw/zinc/54/40/56/565544056.db2.gz UCNCLYMKBZTUQA-UHFFFAOYSA-N 0 0 386.704 3.157 20 30 GGEDRN C=CCn1nnnc1Sc1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000302533406 565544845 /nfs/dbraw/zinc/54/48/45/565544845.db2.gz QSXKLISTLWVSKG-UHFFFAOYSA-N 0 0 375.870 3.435 20 30 GGEDRN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(CCC#N)CC1CC1 ZINC000190621214 565545887 /nfs/dbraw/zinc/54/58/87/565545887.db2.gz AMGPIUHLEZTXHO-ZDUSSCGKSA-N 0 0 386.901 3.068 20 30 GGEDRN N#Cc1cnc(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)c(Cl)c1 ZINC000302621676 565547207 /nfs/dbraw/zinc/54/72/07/565547207.db2.gz FJWDQBJSMDTVHJ-UHFFFAOYSA-N 0 0 388.806 3.194 20 30 GGEDRN N#Cc1c(Cl)nsc1N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000302614029 565547902 /nfs/dbraw/zinc/54/79/02/565547902.db2.gz CKCZFSODSYVUBC-UHFFFAOYSA-N 0 0 394.835 3.255 20 30 GGEDRN COc1ccc(-c2nc(Sc3nccnc3C#N)n[nH]2)cc1Br ZINC000302664782 565548568 /nfs/dbraw/zinc/54/85/68/565548568.db2.gz JBKGGRUZZMEHPN-UHFFFAOYSA-N 0 0 389.238 3.056 20 30 GGEDRN C[C@@H](Cc1cccc(Br)c1)NC(=O)Nc1ccn(CCC#N)n1 ZINC000173332431 565549351 /nfs/dbraw/zinc/54/93/51/565549351.db2.gz LGLWLCCGBDILDV-LBPRGKRZSA-N 0 0 376.258 3.312 20 30 GGEDRN COc1ccc(-c2nc(Sc3ccc(C#N)nn3)n[nH]2)cc1Br ZINC000302682346 565549579 /nfs/dbraw/zinc/54/95/79/565549579.db2.gz PPBBFVKNCNLQQP-UHFFFAOYSA-N 0 0 389.238 3.056 20 30 GGEDRN N#CC1(CS(=O)(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000190651005 565549523 /nfs/dbraw/zinc/54/95/23/565549523.db2.gz SDNKYXRGZBTXDQ-UHFFFAOYSA-N 0 0 376.375 3.099 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000302671804 565550112 /nfs/dbraw/zinc/55/01/12/565550112.db2.gz ODQUFDPJVXYFCT-UHFFFAOYSA-N 0 0 388.221 3.414 20 30 GGEDRN N#CCCn1ccc(NC(=O)NCCc2ccc(F)c(Br)c2)n1 ZINC000173350800 565551652 /nfs/dbraw/zinc/55/16/52/565551652.db2.gz FWFOGYGTEOFVDV-UHFFFAOYSA-N 0 0 380.221 3.063 20 30 GGEDRN CCn1nccc1N1CCC[C@@H](Nc2ccc(C#N)cc2Br)C1=O ZINC000302711422 565551912 /nfs/dbraw/zinc/55/19/12/565551912.db2.gz KVSXGHHRKPFPBZ-OAHLLOKOSA-N 0 0 388.269 3.145 20 30 GGEDRN N#Cc1c(NC(=O)Cc2cc[nH]c(=O)c2Br)sc2c1CCC2 ZINC000278350421 565553536 /nfs/dbraw/zinc/55/35/36/565553536.db2.gz XDRHPTDAZSXBBP-UHFFFAOYSA-N 0 0 378.251 3.153 20 30 GGEDRN Cc1cc(C(=O)N[C@H](C#N)c2cccc(Br)c2)ccc1-n1cncn1 ZINC000173373907 565554004 /nfs/dbraw/zinc/55/40/04/565554004.db2.gz PMVBQCPBYFNJPP-MRXNPFEDSA-N 0 0 396.248 3.333 20 30 GGEDRN O=C(c1nccs1)C(C(=S)NC1CCCCC1)[n+]1cc([O-])ccc1F ZINC000278364137 565554357 /nfs/dbraw/zinc/55/43/57/565554357.db2.gz YUDFRXVSQFOYOM-UHFFFAOYSA-O 0 0 380.490 3.136 20 30 GGEDRN C[C@@H](CCOCc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000390391778 565556100 /nfs/dbraw/zinc/55/61/00/565556100.db2.gz KCOSLFSIDOEGOV-AWEZNQCLSA-N 0 0 378.881 3.485 20 30 GGEDRN N#C[C@@H](NC(=O)c1c[nH]c(=O)c2ccccc12)c1cccc(Br)c1 ZINC000190742898 565556218 /nfs/dbraw/zinc/55/62/18/565556218.db2.gz YXGZNUGADYXZQM-MRXNPFEDSA-N 0 0 382.217 3.285 20 30 GGEDRN C[C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)COCc1ccccc1 ZINC000390385499 565556447 /nfs/dbraw/zinc/55/64/47/565556447.db2.gz CHSZYQUSXUNDFI-CQSZACIVSA-N 0 0 378.881 3.343 20 30 GGEDRN C=CCN(CCOC)C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000190764514 565557713 /nfs/dbraw/zinc/55/77/13/565557713.db2.gz XLWXWNIEOGQTHV-UHFFFAOYSA-N 0 0 379.869 3.063 20 30 GGEDRN C=CCOCCCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000173472761 565559527 /nfs/dbraw/zinc/55/95/27/565559527.db2.gz RXMDHICBPRPCOL-UHFFFAOYSA-N 0 0 385.291 3.261 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)CCNCc2cc(Br)ccc2F)cc1 ZINC000391193424 565560603 /nfs/dbraw/zinc/56/06/03/565560603.db2.gz ZXIBZQBQXZYTDI-UHFFFAOYSA-N 0 0 397.269 3.023 20 30 GGEDRN CSc1ccc(Cl)cc1NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000173479284 565560573 /nfs/dbraw/zinc/56/05/73/565560573.db2.gz RJMOIMWLPBSNQC-UHFFFAOYSA-N 0 0 377.828 3.328 20 30 GGEDRN Cc1ccc(Br)cc1NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000173481119 565560624 /nfs/dbraw/zinc/56/06/24/565560624.db2.gz YHLBKFCXUKZMMA-UHFFFAOYSA-N 0 0 390.212 3.023 20 30 GGEDRN Cc1ccc(NC(=O)C(=O)NCc2cc(C#N)ccc2F)c(Br)c1 ZINC000173479786 565560928 /nfs/dbraw/zinc/56/09/28/565560928.db2.gz QWJRUJJHDHNJIX-UHFFFAOYSA-N 0 0 390.212 3.023 20 30 GGEDRN CC(C)CCN(CCC#N)Cc1nnnn1-c1ccccc1Br ZINC000173543264 565565287 /nfs/dbraw/zinc/56/52/87/565565287.db2.gz FECAUMKKGQDVRY-UHFFFAOYSA-N 0 0 377.290 3.187 20 30 GGEDRN COc1ccccc1C[C@H](C)N(C)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000392573539 565566095 /nfs/dbraw/zinc/56/60/95/565566095.db2.gz GOALNOYOOJNGJA-ZDUSSCGKSA-N 0 0 378.881 3.472 20 30 GGEDRN CC(C)CCN(CCC#N)CC(=O)Nc1ccccc1I ZINC000173540762 565566199 /nfs/dbraw/zinc/56/61/99/565566199.db2.gz AHNDQZCFADTKTG-UHFFFAOYSA-N 0 0 399.276 3.491 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCc3sccc3C2)cc1 ZINC000278587742 565566732 /nfs/dbraw/zinc/56/67/32/565566732.db2.gz KSAXWMFBLQJCPI-GFCCVEGCSA-N 0 0 375.475 3.024 20 30 GGEDRN CCc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)s1 ZINC000278620903 565569152 /nfs/dbraw/zinc/56/91/52/565569152.db2.gz NGPCOUWSZIZXAK-GFCCVEGCSA-N 0 0 377.491 3.318 20 30 GGEDRN N#C[C@H]1COCCN1S(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000173583178 565569349 /nfs/dbraw/zinc/56/93/49/565569349.db2.gz JAZKNSYMFQACCR-AWEZNQCLSA-N 0 0 378.837 3.045 20 30 GGEDRN COc1ccc(Cn2cc(Br)cc(C#N)c2=O)cc1Br ZINC000394206950 565569746 /nfs/dbraw/zinc/56/97/46/565569746.db2.gz DBBUTVFIBJMMHT-UHFFFAOYSA-N 0 0 398.054 3.302 20 30 GGEDRN N#C[C@H](NC(=O)C(=O)NCc1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000173623994 565570713 /nfs/dbraw/zinc/57/07/13/565570713.db2.gz VWEHFGXLOJMMHO-AWEZNQCLSA-N 0 0 380.206 3.130 20 30 GGEDRN COc1cc(NC(=O)COc2ccc(C#N)cc2OC)ccc1Br ZINC000173651724 565573294 /nfs/dbraw/zinc/57/32/94/565573294.db2.gz NBEYOGYSYWUZDY-UHFFFAOYSA-N 0 0 391.221 3.355 20 30 GGEDRN C=CCn1c(SC[C@H]2CCS(=O)(=O)C2)nnc1-c1cccc(Cl)c1 ZINC000278739857 565575096 /nfs/dbraw/zinc/57/50/96/565575096.db2.gz QGMIIFZLKGGNCD-GFCCVEGCSA-N 0 0 383.926 3.311 20 30 GGEDRN N#CC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000397837484 565576190 /nfs/dbraw/zinc/57/61/90/565576190.db2.gz SYTFARYETRKQBJ-JTQLQIEISA-N 0 0 377.691 3.417 20 30 GGEDRN N#CC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000397837485 565576351 /nfs/dbraw/zinc/57/63/51/565576351.db2.gz SYTFARYETRKQBJ-SNVBAGLBSA-N 0 0 377.691 3.417 20 30 GGEDRN N#Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)cc1O ZINC000191001819 565576501 /nfs/dbraw/zinc/57/65/01/565576501.db2.gz CCGYUPPYUKCSMB-QGZVFWFLSA-N 0 0 387.233 3.240 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCC(Nc3nc(Cl)c(C#N)s3)CC2)cc1 ZINC000278782174 565577169 /nfs/dbraw/zinc/57/71/69/565577169.db2.gz VZLZRCSEIATNRT-UHFFFAOYSA-N 0 0 396.925 3.242 20 30 GGEDRN C#CCn1ccc(CN(CC)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000278784793 565577252 /nfs/dbraw/zinc/57/72/52/565577252.db2.gz QAFXJNOAIBVJLR-UHFFFAOYSA-N 0 0 386.304 3.175 20 30 GGEDRN CS(=O)(=O)N(CCSCc1ccc(C#N)cc1F)Cc1ccccc1 ZINC000191031526 565578160 /nfs/dbraw/zinc/57/81/60/565578160.db2.gz IGRRGRTUHYGBAE-UHFFFAOYSA-N 0 0 378.494 3.392 20 30 GGEDRN CCOC(=O)[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(OC)c(Br)c1 ZINC000278816438 565578785 /nfs/dbraw/zinc/57/87/85/565578785.db2.gz OXRJFPWERPICMB-HNNXBMFYSA-N 0 0 397.269 3.118 20 30 GGEDRN N#CCc1ccc(Cn2cc(Br)cc(Br)c2=O)cc1 ZINC000399120402 565579216 /nfs/dbraw/zinc/57/92/16/565579216.db2.gz OVGUTBZFUOSHBL-UHFFFAOYSA-N 0 0 382.055 3.488 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2cc(OC)c(Br)s2)n1 ZINC000278897659 565584407 /nfs/dbraw/zinc/58/44/07/565584407.db2.gz FRDNOWLHDYNVOA-UHFFFAOYSA-N 0 0 382.283 3.011 20 30 GGEDRN C=CCN(CCOC)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000191142571 565584976 /nfs/dbraw/zinc/58/49/76/565584976.db2.gz WVZGAPDYEIYWJO-UHFFFAOYSA-N 0 0 393.228 3.395 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Cc2cc(F)ccc2Br)n1 ZINC000278922151 565585221 /nfs/dbraw/zinc/58/52/21/565585221.db2.gz IOMCLHSXZJFISG-UHFFFAOYSA-N 0 0 378.245 3.009 20 30 GGEDRN CCS(=O)(=O)CCCCCSCC(=O)Nc1cc(Cl)ccc1C#N ZINC000191176785 565585987 /nfs/dbraw/zinc/58/59/87/565585987.db2.gz LZBFIDMOVLFSOF-UHFFFAOYSA-N 0 0 388.942 3.488 20 30 GGEDRN CC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000191171438 565586045 /nfs/dbraw/zinc/58/60/45/565586045.db2.gz BOSRLCPAHNKYTK-UHFFFAOYSA-N 0 0 379.781 3.123 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2cc(F)c(F)cc2Br)n1 ZINC000278933211 565586211 /nfs/dbraw/zinc/58/62/11/565586211.db2.gz KDJBJAMWQNVHKJ-UHFFFAOYSA-N 0 0 382.208 3.219 20 30 GGEDRN CCS(=O)(=O)CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000173788961 565586218 /nfs/dbraw/zinc/58/62/18/565586218.db2.gz HWSPAZFPORAHJW-UHFFFAOYSA-N 0 0 376.865 3.180 20 30 GGEDRN C[C@@H]1CC[C@@H](COc2c(I)cc(C#N)cc2[N+](=O)[O-])O1 ZINC000191210349 565588779 /nfs/dbraw/zinc/58/87/79/565588779.db2.gz AFCBQLJKBUJSCM-SCZZXKLOSA-N 0 0 388.161 3.017 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)c1cc(Br)cc(Br)c1 ZINC000315686976 565590068 /nfs/dbraw/zinc/59/00/68/565590068.db2.gz CDVBCSWSQOQVIB-GFCCVEGCSA-N 0 0 377.076 3.269 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)c1cc(Br)ccc1Br ZINC000315914700 565590124 /nfs/dbraw/zinc/59/01/24/565590124.db2.gz OOCGFBVCYPOWMF-SNVBAGLBSA-N 0 0 377.076 3.269 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N(Cc2ccccn2)C2CC2)cc1Br ZINC000279004691 565590150 /nfs/dbraw/zinc/59/01/50/565590150.db2.gz GENROOUGQLPLKO-UHFFFAOYSA-N 0 0 392.278 3.069 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)c1ccc(I)c(Cl)c1 ZINC000315869508 565590230 /nfs/dbraw/zinc/59/02/30/565590230.db2.gz JCQSETFKDNOMGX-SNVBAGLBSA-N 0 0 379.625 3.002 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)c1cc(Cl)ccc1I ZINC000315909017 565590445 /nfs/dbraw/zinc/59/04/45/565590445.db2.gz NWBHVFADSFYQKU-SNVBAGLBSA-N 0 0 379.625 3.002 20 30 GGEDRN Cc1ccc(Br)cc1CNC(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000191261859 565591595 /nfs/dbraw/zinc/59/15/95/565591595.db2.gz VEJZXFYCHJXJLU-UHFFFAOYSA-N 0 0 386.249 3.193 20 30 GGEDRN C=CCN(Cc1cc(Br)c(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000191265640 565592226 /nfs/dbraw/zinc/59/22/26/565592226.db2.gz RKBDVBIMAQTEBQ-VIFPVBQESA-N 0 0 384.748 3.339 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)NCc2cc(Cl)ccc2OC(F)F)c1 ZINC000173854938 565593215 /nfs/dbraw/zinc/59/32/15/565593215.db2.gz MLXVFHIDKCHEPI-UHFFFAOYSA-N 0 0 386.807 3.433 20 30 GGEDRN C[C@H](NC(=O)NCCOCC(F)(F)C(F)F)c1nc(C(F)(F)F)cs1 ZINC000279077719 565594789 /nfs/dbraw/zinc/59/47/89/565594789.db2.gz RPUDQXMMPWCQNG-LURJTMIESA-N 0 0 397.316 3.439 20 30 GGEDRN CS[C@@H]1CCCCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000408116079 565595830 /nfs/dbraw/zinc/59/58/30/565595830.db2.gz UDMZYZWLTYYPLB-LLVKDONJSA-N 0 0 389.340 3.227 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccncc2)cc1Br ZINC000279117933 565596720 /nfs/dbraw/zinc/59/67/20/565596720.db2.gz PUIGCYNPBMYZON-INIZCTEOSA-N 0 0 392.278 3.242 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2cc(Br)cn2C(C)C)n1 ZINC000279126527 565596729 /nfs/dbraw/zinc/59/67/29/565596729.db2.gz MPTBLJVPSOAXTH-UHFFFAOYSA-N 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C[C@@H](C#N)CN(C)C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000280697999 565689187 /nfs/dbraw/zinc/68/91/87/565689187.db2.gz RWCZINOOKBBRJG-LBPRGKRZSA-N 0 0 393.285 3.308 20 30 GGEDRN Cc1csc(NC2CCN(S(=O)(=O)CC3(C#N)CCCCC3)CC2)n1 ZINC000330030567 565689386 /nfs/dbraw/zinc/68/93/86/565689386.db2.gz RWAPZXXRMIPSME-UHFFFAOYSA-N 0 0 382.555 3.132 20 30 GGEDRN CC(C)(NC(=O)c1cn([C@H]2CCOC2)nn1)c1ccccc1Br ZINC000330014953 565689496 /nfs/dbraw/zinc/68/94/96/565689496.db2.gz BGWFEWVCSFMBHR-NSHDSACASA-N 0 0 379.258 3.242 20 30 GGEDRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@@H](C)CC#N ZINC000175284606 565690517 /nfs/dbraw/zinc/69/05/17/565690517.db2.gz GBDPMYFFTUPLKB-NSHDSACASA-N 0 0 375.270 3.343 20 30 GGEDRN C=C(C)COCCNC(=O)Nc1ccc(OC)cc1I ZINC000192433071 565690941 /nfs/dbraw/zinc/69/09/41/565690941.db2.gz MBANWFDFPJQDKU-UHFFFAOYSA-N 0 0 390.221 3.014 20 30 GGEDRN C[C@@H]1CN(Cc2csc(NC(=O)N3CCSCC[C@@H]3C)n2)C[C@H](C)O1 ZINC000330074828 565691278 /nfs/dbraw/zinc/69/12/78/565691278.db2.gz 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C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC1(C)C ZINC000411545615 565734289 /nfs/dbraw/zinc/73/42/89/565734289.db2.gz XPSBUYCYWXWSBL-CQSZACIVSA-N 0 0 381.270 3.257 20 30 GGEDRN CCC(=O)N[C@H]1CCCN(C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000330994285 565734385 /nfs/dbraw/zinc/73/43/85/565734385.db2.gz WAZQCTDGDMGSHP-VIFPVBQESA-N 0 0 390.228 3.263 20 30 GGEDRN C=CCN(CC=C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000193125205 565734408 /nfs/dbraw/zinc/73/44/08/565734408.db2.gz KUMPHIYAXFRDJO-INIZCTEOSA-N 0 0 377.282 3.254 20 30 GGEDRN COC(=O)c1cc(NC(=O)N2CCC[C@@](C)(OC)C2)ccc1Br ZINC000331009948 565734451 /nfs/dbraw/zinc/73/44/51/565734451.db2.gz YYFJPHBMNDYEMP-MRXNPFEDSA-N 0 0 385.258 3.282 20 30 GGEDRN CCOc1c(Cl)cc(NC(=O)N[C@H]2CCCS(=O)(=O)C2)cc1Cl ZINC000331012956 565734709 /nfs/dbraw/zinc/73/47/09/565734709.db2.gz WNSLRTLXANXSSL-VIFPVBQESA-N 0 0 381.281 3.295 20 30 GGEDRN CC(C)[C@@H](O)CNC(=O)Nc1ccc(Cl)cc1I ZINC000331025295 565735321 /nfs/dbraw/zinc/73/53/21/565735321.db2.gz OLSDFIMCQFVJRK-NSHDSACASA-N 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/nfs/dbraw/zinc/73/58/84/565735884.db2.gz OLSDFIMCQFVJRK-LLVKDONJSA-N 0 0 382.629 3.287 20 30 GGEDRN O=C(Nc1ccc(Cl)cc1I)N1CC[C@H](CCO)C1 ZINC000331023571 565735902 /nfs/dbraw/zinc/73/59/02/565735902.db2.gz MLBATGYOYFEEFK-SECBINFHSA-N 0 0 394.640 3.194 20 30 GGEDRN CC[C@@](C)(CO)NC(=O)Nc1ccc(Cl)cc1I ZINC000331020692 565735922 /nfs/dbraw/zinc/73/59/22/565735922.db2.gz JUOUHJMVWMCVRL-LBPRGKRZSA-N 0 0 382.629 3.241 20 30 GGEDRN CN(Cc1ccccc1Br)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175955846 565735915 /nfs/dbraw/zinc/73/59/15/565735915.db2.gz DXWKVFYVSNXBEX-UHFFFAOYSA-N 0 0 390.212 3.057 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC1(C(C)C)CC1 ZINC000411559987 565735967 /nfs/dbraw/zinc/73/59/67/565735967.db2.gz IZTUJYTUIVDKKT-UHFFFAOYSA-N 0 0 381.270 3.257 20 30 GGEDRN N#Cc1cc(Br)cc(S(=O)(=O)N(CC(F)(F)F)C2CC2)c1 ZINC000175964244 565736393 /nfs/dbraw/zinc/73/63/93/565736393.db2.gz NEFIQBHASGYPTM-UHFFFAOYSA-N 0 0 383.189 3.036 20 30 GGEDRN CC(=O)N1CCC[C@@H](CNC(=O)N(C)Cc2ccccc2Br)C1 ZINC000331053042 565736664 /nfs/dbraw/zinc/73/66/64/565736664.db2.gz JHWACESNXJDMHR-AWEZNQCLSA-N 0 0 382.302 3.053 20 30 GGEDRN N#Cc1cccc(OC2CCN(C(=O)c3ncccc3Br)CC2)c1 ZINC000193166948 565736821 /nfs/dbraw/zinc/73/68/21/565736821.db2.gz IGNWTSBMZYEGDI-UHFFFAOYSA-N 0 0 386.249 3.399 20 30 GGEDRN N#Cc1cc(Br)cc(S(=O)(=O)N(Cc2ccccn2)C2CC2)c1 ZINC000175962300 565736818 /nfs/dbraw/zinc/73/68/18/565736818.db2.gz RCADQZKGJXVUAM-UHFFFAOYSA-N 0 0 392.278 3.069 20 30 GGEDRN C[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000331043084 565736898 /nfs/dbraw/zinc/73/68/98/565736898.db2.gz DLZLZMWWOHRYFH-VXNVDRBHSA-N 0 0 383.164 3.348 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1C[C@H]1CC ZINC000411569305 565737019 /nfs/dbraw/zinc/73/70/19/565737019.db2.gz DABKDMJJEPRVBE-NEPJUHHUSA-N 0 0 381.270 3.115 20 30 GGEDRN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000331055549 565737079 /nfs/dbraw/zinc/73/70/79/565737079.db2.gz KSCUYZLWKGDQCW-WFASDCNBSA-N 0 0 397.317 3.152 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000411590519 565737947 /nfs/dbraw/zinc/73/79/47/565737947.db2.gz JYBHOEWABJCBNN-JSGCOSHPSA-N 0 0 393.281 3.115 20 30 GGEDRN CCC(=O)N[C@@H]1CCCN(C(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000331095534 565738071 /nfs/dbraw/zinc/73/80/71/565738071.db2.gz BHXGUZXCZHQQOF-SNVBAGLBSA-N 0 0 390.228 3.263 20 30 GGEDRN C[C@H](NC(=O)N1CC[C@H](CS(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000331097462 565738737 /nfs/dbraw/zinc/73/87/37/565738737.db2.gz CVQQXGUZAKBOGA-QWRGUYRKSA-N 0 0 379.309 3.335 20 30 GGEDRN COC(=O)c1c(C)c(NC(=O)N2CCC[C@@H](C)[C@@H]2CO)ccc1Br ZINC000331111858 565738761 /nfs/dbraw/zinc/73/87/61/565738761.db2.gz LLVVFNDUJSHQHW-YGRLFVJLSA-N 0 0 399.285 3.182 20 30 GGEDRN N#CCOc1ccc(CNC(=O)C2(c3cncc(Br)c3)CC2)cc1 ZINC000281605372 565738661 /nfs/dbraw/zinc/73/86/61/565738661.db2.gz MMALLVOKBGSHNX-UHFFFAOYSA-N 0 0 386.249 3.094 20 30 GGEDRN COC(=O)c1c(C)c(NC(=O)N2CCC[C@@H](C)[C@H]2CO)ccc1Br ZINC000331111857 565738947 /nfs/dbraw/zinc/73/89/47/565738947.db2.gz LLVVFNDUJSHQHW-QMTHXVAHSA-N 0 0 399.285 3.182 20 30 GGEDRN COC(=O)c1c(C)c(NC(=O)NC[C@@H]2CCCC[C@H]2O)ccc1Br ZINC000331107993 565739151 /nfs/dbraw/zinc/73/91/51/565739151.db2.gz JSBVNERBPZJCIG-SMDDNHRTSA-N 0 0 399.285 3.421 20 30 GGEDRN CC[C@H](NC(=O)NC[C@@]1(O)CCSC1)c1cc(F)cc(Br)c1 ZINC000331099790 565739242 /nfs/dbraw/zinc/73/92/42/565739242.db2.gz FHRVAHKYXSRIAH-ZFWWWQNUSA-N 0 0 391.306 3.411 20 30 GGEDRN C[C@H](NC(=O)N1CC[C@@H](CS(C)(=O)=O)C1)c1ccccc1C(F)(F)F ZINC000331121232 565739630 /nfs/dbraw/zinc/73/96/30/565739630.db2.gz PKKOSAZWAYGCCY-NWDGAFQWSA-N 0 0 378.416 3.047 20 30 GGEDRN O=C(Nc1ccc(Cl)cc1Br)N1CCSC[C@H]1CCO ZINC000331125372 565739988 /nfs/dbraw/zinc/73/99/88/565739988.db2.gz CYTPMQABIKPCHE-SNVBAGLBSA-N 0 0 379.707 3.448 20 30 GGEDRN C[C@H](NC(=O)N1CC[C@H](CS(C)(=O)=O)C1)c1c(Cl)ccc(F)c1Cl ZINC000331124945 565740049 /nfs/dbraw/zinc/74/00/49/565740049.db2.gz HGSAYRFKURRCMG-UWVGGRQHSA-N 0 0 397.299 3.474 20 30 GGEDRN Cc1ccc(I)cc1NC(=O)N1CCC[C@H]1C[C@@H](C)O ZINC000331115687 565740053 /nfs/dbraw/zinc/74/00/53/565740053.db2.gz LVIUYPMJVBJVKC-YPMHNXCESA-N 0 0 388.249 3.380 20 30 GGEDRN CC[C@H](NC(=O)N1CCO[C@@H](COC)C1)c1cc(F)cc(Br)c1 ZINC000331116478 565740121 /nfs/dbraw/zinc/74/01/21/565740121.db2.gz NNILNXQGAJJSKO-CABCVRRESA-N 0 0 389.265 3.301 20 30 GGEDRN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000281624602 565740192 /nfs/dbraw/zinc/74/01/92/565740192.db2.gz UHFWGGBECRXWJP-XGWTYTTDSA-N 0 0 382.913 3.162 20 30 GGEDRN O=C(Nc1c(F)cc(F)cc1Br)N1CCSC[C@@H]1CCO ZINC000331119279 565740367 /nfs/dbraw/zinc/74/03/67/565740367.db2.gz OVKJILSKOKLJHI-VIFPVBQESA-N 0 0 381.242 3.073 20 30 GGEDRN COC(=O)c1c(Br)ccc(NC(=O)N2CCO[C@H](C(C)C)C2)c1C ZINC000331130853 565741321 /nfs/dbraw/zinc/74/13/21/565741321.db2.gz SXNIXFYFXSDSTP-AWEZNQCLSA-N 0 0 399.285 3.446 20 30 GGEDRN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000281651583 565741524 /nfs/dbraw/zinc/74/15/24/565741524.db2.gz WFPWMJKHKZIEAU-WNOSKKOXSA-N 0 0 382.913 3.162 20 30 GGEDRN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000281651579 565741532 /nfs/dbraw/zinc/74/15/32/565741532.db2.gz WFPWMJKHKZIEAU-QCPWZWHMSA-N 0 0 382.913 3.162 20 30 GGEDRN C=CC[C@H](CC)NS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000281665685 565741564 /nfs/dbraw/zinc/74/15/64/565741564.db2.gz XIHXATRBFTWFPC-NSHDSACASA-N 0 0 375.288 3.041 20 30 GGEDRN CC(C)[C@H](NC(=O)Nc1ccccc1I)C(C)(C)O ZINC000331152261 565741965 /nfs/dbraw/zinc/74/19/65/565741965.db2.gz IFFMDLMNHACPHF-LBPRGKRZSA-N 0 0 376.238 3.222 20 30 GGEDRN CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NCC(C)(C)CC#N ZINC000411654838 565742418 /nfs/dbraw/zinc/74/24/18/565742418.db2.gz YPONEHMXSXMMAF-UHFFFAOYSA-N 0 0 396.285 3.231 20 30 GGEDRN O=C(Nc1ccc(Cl)c(Br)c1)N1CCSC[C@@H]1CCO ZINC000331140785 565742461 /nfs/dbraw/zinc/74/24/61/565742461.db2.gz FGEXMTXYWUMWEF-JTQLQIEISA-N 0 0 379.707 3.448 20 30 GGEDRN COc1cc(Br)c(CNC(=O)N[C@H]2CCCSC2)cc1OC ZINC000331150084 565742514 /nfs/dbraw/zinc/74/25/14/565742514.db2.gz HVHZPOXTDQASQE-NSHDSACASA-N 0 0 389.315 3.366 20 30 GGEDRN CC(C)(CC#N)CNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000411654890 565742728 /nfs/dbraw/zinc/74/27/28/565742728.db2.gz ZDBOAHOLSSJDRQ-UHFFFAOYSA-N 0 0 376.869 3.458 20 30 GGEDRN N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000331156187 565742780 /nfs/dbraw/zinc/74/27/80/565742780.db2.gz YVKZJWHIOGWFJT-PRHODGIISA-N 0 0 397.216 3.438 20 30 GGEDRN O=C(Nc1ccc(Br)c(F)c1)N(CCO)[C@H]1CCCSC1 ZINC000331162670 565743729 /nfs/dbraw/zinc/74/37/29/565743729.db2.gz AAYAEFZVRZQGCW-NSHDSACASA-N 0 0 377.279 3.324 20 30 GGEDRN O=C(Nc1ccc(Br)c(F)c1)N(CCO)[C@@H]1CCCSC1 ZINC000331162667 565743762 /nfs/dbraw/zinc/74/37/62/565743762.db2.gz AAYAEFZVRZQGCW-LLVKDONJSA-N 0 0 377.279 3.324 20 30 GGEDRN O=C(N[C@@H](CCO)C1CCOCC1)c1cc(Br)c(F)cc1F ZINC000331182530 565744200 /nfs/dbraw/zinc/74/42/00/565744200.db2.gz NIQCZPBWQCZVKL-AWEZNQCLSA-N 0 0 378.213 3.210 20 30 GGEDRN N#CC1(CS(=O)(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000281723183 565745009 /nfs/dbraw/zinc/74/50/09/565745009.db2.gz QQCUIBVPIRSPKP-AWEZNQCLSA-N 0 0 387.274 3.359 20 30 GGEDRN CC[C@H]1COCCN1C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000331206071 565745741 /nfs/dbraw/zinc/74/57/41/565745741.db2.gz TUPMKLRYKOPUGT-JTQLQIEISA-N 0 0 389.221 3.031 20 30 GGEDRN COC(=O)c1cc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc(Br)c1F ZINC000331206058 565746113 /nfs/dbraw/zinc/74/61/13/565746113.db2.gz SZQGPAASCJZFEW-DTORHVGOSA-N 0 0 389.221 3.030 20 30 GGEDRN CC[C@H](NC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000331199532 565746174 /nfs/dbraw/zinc/74/61/74/565746174.db2.gz VZKYJOWGDFYCPG-ARFHVFGLSA-N 0 0 387.933 3.155 20 30 GGEDRN COc1cc(OC)c(NC(=O)N2CCO[C@@H](C(C)C)C2)cc1Br ZINC000331198677 565746186 /nfs/dbraw/zinc/74/61/86/565746186.db2.gz TWZHCJJDIPVTNI-OAHLLOKOSA-N 0 0 387.274 3.369 20 30 GGEDRN CCC[C@H](NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C1CCC1 ZINC000411708198 565746481 /nfs/dbraw/zinc/74/64/81/565746481.db2.gz HWNUSXQKKUXXKG-HNNXBMFYSA-N 0 0 378.270 3.344 20 30 GGEDRN COC(=O)c1cc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)cc(Br)c1F ZINC000331208976 565746575 /nfs/dbraw/zinc/74/65/75/565746575.db2.gz WHBSPJASQUGAKJ-PRHODGIISA-N 0 0 384.205 3.202 20 30 GGEDRN N#Cc1c(Cl)nsc1N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000193379758 565747877 /nfs/dbraw/zinc/74/78/77/565747877.db2.gz AROBLMOSAOWIEJ-UHFFFAOYSA-N 0 0 392.897 3.102 20 30 GGEDRN CSc1c(F)cccc1C(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000331224688 565748305 /nfs/dbraw/zinc/74/83/05/565748305.db2.gz MJGKDQHVRUULFW-UHFFFAOYSA-N 0 0 388.530 3.302 20 30 GGEDRN CC1(C)CCCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)[C@@H]1C#N ZINC000331236977 565748433 /nfs/dbraw/zinc/74/84/33/565748433.db2.gz KVRFIFUXYXXMEW-CQSZACIVSA-N 0 0 376.400 3.331 20 30 GGEDRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000193363851 565748424 /nfs/dbraw/zinc/74/84/24/565748424.db2.gz SBVSVNJPFWZPCB-AWEZNQCLSA-N 0 0 399.292 3.235 20 30 GGEDRN O=C(NCCc1cc(Cl)ccc1Br)N1CC[C@@H](CCO)C1 ZINC000331229739 565748487 /nfs/dbraw/zinc/74/84/87/565748487.db2.gz PIVDCWFUBKXLBB-NSHDSACASA-N 0 0 375.694 3.263 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)ccc1Br ZINC000411749280 565749641 /nfs/dbraw/zinc/74/96/41/565749641.db2.gz LDWGMPOONOREFV-SWLSCSKDSA-N 0 0 390.281 3.202 20 30 GGEDRN C[C@H](CNC(=O)Nc1cc(F)c(Br)cc1Cl)N1CCOCC1 ZINC000331257011 565749742 /nfs/dbraw/zinc/74/97/42/565749742.db2.gz CGCVAFYHXKUODA-SECBINFHSA-N 0 0 394.672 3.288 20 30 GGEDRN COCC(C)(C)NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000331240955 565749819 /nfs/dbraw/zinc/74/98/19/565749819.db2.gz JQHCLPBLRBIWDD-UHFFFAOYSA-N 0 0 384.164 3.130 20 30 GGEDRN CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1cc(Br)ccn1 ZINC000331248805 565749850 /nfs/dbraw/zinc/74/98/50/565749850.db2.gz XLFHPYZVYJPAKQ-RISCZKNCSA-N 0 0 383.290 3.207 20 30 GGEDRN CCCS(=O)(=O)N1CCC(NC(=O)Nc2cc(C)c(Cl)c(C)c2)CC1 ZINC000331271390 565750604 /nfs/dbraw/zinc/75/06/04/565750604.db2.gz NAUSLDFXENVYTH-UHFFFAOYSA-N 0 0 387.933 3.487 20 30 GGEDRN N#CC1(CS(=O)(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000281866677 565752663 /nfs/dbraw/zinc/75/26/63/565752663.db2.gz ZFXUECLMCZKIJX-HAQNSBGRSA-N 0 0 387.274 3.057 20 30 GGEDRN N#CC1(CCCS(=O)(=O)Cc2cc(-c3cccs3)on2)CCOCC1 ZINC000281893814 565753579 /nfs/dbraw/zinc/75/35/79/565753579.db2.gz PBGQVGZFAPLQLD-UHFFFAOYSA-N 0 0 380.491 3.418 20 30 GGEDRN CC(C)(C)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCO1 ZINC000331319463 565753672 /nfs/dbraw/zinc/75/36/72/565753672.db2.gz KNBMDDSSNNMSQK-AWEZNQCLSA-N 0 0 376.400 3.013 20 30 GGEDRN O=C(Nc1ccc(Br)c(Cl)c1)N1CCSC[C@H]1CCO ZINC000331315011 565753797 /nfs/dbraw/zinc/75/37/97/565753797.db2.gz IMZMOIGRPSGAGR-SNVBAGLBSA-N 0 0 379.707 3.448 20 30 GGEDRN O=C(Nc1ccc(Br)c(Cl)c1)N1CCSC[C@@H]1CCO ZINC000331315010 565753949 /nfs/dbraw/zinc/75/39/49/565753949.db2.gz IMZMOIGRPSGAGR-JTQLQIEISA-N 0 0 379.707 3.448 20 30 GGEDRN CN(C[C@H]1CC=CCC1)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000331315049 565754008 /nfs/dbraw/zinc/75/40/08/565754008.db2.gz ITUGZUUAWIGRHF-NSHDSACASA-N 0 0 387.274 3.437 20 30 GGEDRN CCC(=O)N[C@@H]1CCCN(C(=O)NCc2cc(Br)ccc2C)C1 ZINC000331310306 565754146 /nfs/dbraw/zinc/75/41/46/565754146.db2.gz USJIKJLOAJCPRD-OAHLLOKOSA-N 0 0 382.302 3.162 20 30 GGEDRN CCS(=O)(=O)C1CCN(C(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000331306347 565754272 /nfs/dbraw/zinc/75/42/72/565754272.db2.gz XBRGJBMMJRQMOZ-UHFFFAOYSA-N 0 0 393.336 3.349 20 30 GGEDRN CCc1nsc(N2CCN(C(=O)N[C@H]([C@@H](C)CC)C(F)(F)F)CC2)n1 ZINC000331318485 565754321 /nfs/dbraw/zinc/75/43/21/565754321.db2.gz HFKFCOVPLXXBHE-CMPLNLGQSA-N 0 0 379.452 3.114 20 30 GGEDRN Cc1ccc(I)cc1NC(=O)N1CCC[C@@H]1CCCO ZINC000331314548 565754345 /nfs/dbraw/zinc/75/43/45/565754345.db2.gz IQBRRSUIKJIACL-CYBMUJFWSA-N 0 0 388.249 3.382 20 30 GGEDRN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)NC[C@H]1CCSC1 ZINC000331303975 565754419 /nfs/dbraw/zinc/75/44/19/565754419.db2.gz DCPKODQIQNGYQV-CQSZACIVSA-N 0 0 385.555 3.103 20 30 GGEDRN CC(C)(C)[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCO1 ZINC000331325351 565755020 /nfs/dbraw/zinc/75/50/20/565755020.db2.gz OECYGXUVSLTPQK-CQSZACIVSA-N 0 0 376.400 3.013 20 30 GGEDRN COC(=O)C1(NC(=O)c2ccc(Cl)c(Br)c2)CCOCC1 ZINC000331353033 565755985 /nfs/dbraw/zinc/75/59/85/565755985.db2.gz OTYCLQDWMBWWGT-UHFFFAOYSA-N 0 0 376.634 3.129 20 30 GGEDRN CCN(C1CCCC1)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000331347885 565756453 /nfs/dbraw/zinc/75/64/53/565756453.db2.gz WWSVOPXMXKBGEX-UHFFFAOYSA-N 0 0 375.263 3.413 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCOc2ccc(Br)cc2C1 ZINC000331407914 565758235 /nfs/dbraw/zinc/75/82/35/565758235.db2.gz IVYHGCVDJDEEOH-UGSOOPFHSA-N 0 0 394.313 3.086 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(Br)c(F)cc2C)C1=O ZINC000282000183 565759299 /nfs/dbraw/zinc/75/92/99/565759299.db2.gz QJOFQZDIUXCGGS-CQSZACIVSA-N 0 0 384.249 3.147 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)CCN2CCc3ccc(Br)cc32)cc1 ZINC000176242562 565759640 /nfs/dbraw/zinc/75/96/40/565759640.db2.gz 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N#Cc1c(Br)cccc1S(=O)(=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000333141837 565868160 /nfs/dbraw/zinc/86/81/60/565868160.db2.gz YXPMZKHDSQSIHG-BBRMVZONSA-N 0 0 381.295 3.130 20 30 GGEDRN C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000195238926 565868420 /nfs/dbraw/zinc/86/84/20/565868420.db2.gz OEWUPMHJSLRXBW-GFCCVEGCSA-N 0 0 386.249 3.479 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@H]2CCOC3(CCCC3)C2)cc1Br ZINC000333215122 565871343 /nfs/dbraw/zinc/87/13/43/565871343.db2.gz DLSILZJAFRLFKC-ZDUSSCGKSA-N 0 0 399.310 3.091 20 30 GGEDRN N#Cc1ccc(Br)cc1S(=O)(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000333219277 565871510 /nfs/dbraw/zinc/87/15/10/565871510.db2.gz WDYOOSZRKGAWPV-OAHLLOKOSA-N 0 0 381.295 3.274 20 30 GGEDRN N#CCCn1ccc(NC(=O)N[C@H](c2cncc(Br)c2)C2CC2)n1 ZINC000284836069 565872289 /nfs/dbraw/zinc/87/22/89/565872289.db2.gz NSHYGXWKAFUUBA-HNNXBMFYSA-N 0 0 389.257 3.227 20 30 GGEDRN Cc1cc(C(=O)N[C@H](C#N)c2cccc(Br)c2)c2cnn(C)c2n1 ZINC000177791752 565873805 /nfs/dbraw/zinc/87/38/05/565873805.db2.gz 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C=C(C)CCc1noc(CCNC(=O)c2cc(F)ccc2Br)n1 ZINC000285087214 565887018 /nfs/dbraw/zinc/88/70/18/565887018.db2.gz KGFQYTMSQCNFNH-UHFFFAOYSA-N 0 0 382.233 3.452 20 30 GGEDRN CSC[C@](C)(C#N)NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000285093290 565887137 /nfs/dbraw/zinc/88/71/37/565887137.db2.gz MVHRKSXMSCCQQJ-NSHDSACASA-N 0 0 383.720 3.026 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000195486554 565888377 /nfs/dbraw/zinc/88/83/77/565888377.db2.gz CKXQNECDXXERHN-UHFFFAOYSA-N 0 0 398.260 3.153 20 30 GGEDRN N#Cc1ccc(Cn2cnc(NC(=O)c3ccc(Br)cc3)n2)cc1 ZINC000178010817 565888584 /nfs/dbraw/zinc/88/85/84/565888584.db2.gz FGRQPYOLERUGEE-UHFFFAOYSA-N 0 0 382.221 3.213 20 30 GGEDRN CSC[C@](C)(C#N)NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000285144464 565889860 /nfs/dbraw/zinc/88/98/60/565889860.db2.gz QZGDRIJWQISQRF-NSHDSACASA-N 0 0 383.720 3.026 20 30 GGEDRN N#Cc1ccc(N2CCC(C(=O)NCCSC(F)(F)F)CC2)c(F)c1 ZINC000285156506 565891102 /nfs/dbraw/zinc/89/11/02/565891102.db2.gz PQBZVFXVKRSIJU-UHFFFAOYSA-N 0 0 375.391 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CN(CCC#N)C[C@@H](O)COc1ccc(Br)c(C(F)(F)F)c1 ZINC000414151264 565899636 /nfs/dbraw/zinc/89/96/36/565899636.db2.gz WCNQEJKLCVLHMK-SNVBAGLBSA-N 0 0 381.192 3.053 20 30 GGEDRN Cc1noc(C)c1C(C)(C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000285337918 565901195 /nfs/dbraw/zinc/90/11/95/565901195.db2.gz CMOZJUDUHHYXEE-UHFFFAOYSA-N 0 0 398.282 3.139 20 30 GGEDRN C=CCOc1c(Br)cc([C@H]2NC(C)(C)C(=O)N2CC)cc1OC ZINC000414179899 565902049 /nfs/dbraw/zinc/90/20/49/565902049.db2.gz AWMAFIOTIJEEJI-HNNXBMFYSA-N 0 0 383.286 3.251 20 30 GGEDRN N#Cc1c(Br)cccc1S(=O)(=O)N1CCC(OC2CCC2)CC1 ZINC000333913327 565902179 /nfs/dbraw/zinc/90/21/79/565902179.db2.gz MCOGOJIJDGRWLG-UHFFFAOYSA-N 0 0 399.310 3.043 20 30 GGEDRN N#CCCn1cc(C[NH2+]CCn2cc(Br)cn2)c(-c2ccccc2)n1 ZINC000285387150 565904231 /nfs/dbraw/zinc/90/42/31/565904231.db2.gz CZMYVYMQZDFSAB-UHFFFAOYSA-N 0 0 399.296 3.213 20 30 GGEDRN C[C@]12CCN(C(=O)C(=O)Nc3cc(C#N)ccc3Cl)C[C@H]1C2(Cl)Cl ZINC000285390211 565904928 /nfs/dbraw/zinc/90/49/28/565904928.db2.gz 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565910247 /nfs/dbraw/zinc/91/02/47/565910247.db2.gz FEQRRGFZUFLTST-AEFFLSMTSA-N 0 0 389.297 3.098 20 30 GGEDRN CC[C@](C)(C#N)C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000285499899 565910521 /nfs/dbraw/zinc/91/05/21/565910521.db2.gz FEQRRGFZUFLTST-FUHWJXTLSA-N 0 0 389.297 3.098 20 30 GGEDRN C=CCSCCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000178296356 565911060 /nfs/dbraw/zinc/91/10/60/565911060.db2.gz MSWHFJIPGOMCOB-UHFFFAOYSA-N 0 0 377.691 3.076 20 30 GGEDRN CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2cccc(C#N)c2Br)C1 ZINC000334102448 565911686 /nfs/dbraw/zinc/91/16/86/565911686.db2.gz UYDLDRAFXQMEFB-GXTWGEPZSA-N 0 0 392.297 3.134 20 30 GGEDRN C=CCOC[C@H]1NC(=O)N(C[C@@H](C)Sc2ccc(Br)cc2)C1=O ZINC000348513891 565914711 /nfs/dbraw/zinc/91/47/11/565914711.db2.gz OOUDKVVWHNWPGA-BXUZGUMPSA-N 0 0 399.310 3.053 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)COc1ccc(I)cc1 ZINC000178374928 565916174 /nfs/dbraw/zinc/91/61/74/565916174.db2.gz NMMYFQSCGARXKA-UHFFFAOYSA-N 0 0 392.196 3.489 20 30 GGEDRN CCOC(=O)CC1(S(=O)(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000414372726 565916857 /nfs/dbraw/zinc/91/68/57/565916857.db2.gz KQXMHVGOFUJFDI-ZDUSSCGKSA-N 0 0 382.507 3.166 20 30 GGEDRN CS(=O)(=O)c1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC000414372638 565916875 /nfs/dbraw/zinc/91/68/75/565916875.db2.gz QBPSPFYUGWHEEK-UHFFFAOYSA-N 0 0 376.503 3.067 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000178408911 565916881 /nfs/dbraw/zinc/91/68/81/565916881.db2.gz NRKVUYNWNVYFHD-GFCCVEGCSA-N 0 0 386.249 3.445 20 30 GGEDRN CSCC[C@@H](C)N(C)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000225834911 565917636 /nfs/dbraw/zinc/91/76/36/565917636.db2.gz UGYFTBDNZQKIPN-SNVBAGLBSA-N 0 0 377.329 3.083 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O ZINC000348736763 565918182 /nfs/dbraw/zinc/91/81/82/565918182.db2.gz XKPXIMKGUXRTTB-SNPRPXQTSA-N 0 0 379.254 3.023 20 30 GGEDRN CCOC(=O)CC1(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000414378461 565918757 /nfs/dbraw/zinc/91/87/57/565918757.db2.gz 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DXSJHWCFRSKERC-DGCLKSJQSA-N 0 0 378.270 3.296 20 30 GGEDRN N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C2CCCC2)c1Br ZINC000419652360 566240779 /nfs/dbraw/zinc/24/07/79/566240779.db2.gz PRDLXEIGCLNECN-HNNXBMFYSA-N 0 0 390.281 3.440 20 30 GGEDRN C=C(Cl)CNC(=O)C(=O)Nc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1 ZINC000265715017 566240823 /nfs/dbraw/zinc/24/08/23/566240823.db2.gz XNGQPIOJRJUSKJ-UHFFFAOYSA-N 0 0 386.279 3.066 20 30 GGEDRN C[C@@H]1CCCC[C@H]1N(C)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419651070 566240784 /nfs/dbraw/zinc/24/07/84/566240784.db2.gz DFNOXZJQTCNRKJ-BXUZGUMPSA-N 0 0 378.270 3.296 20 30 GGEDRN N#CC1(CNC(=O)N2CCN(Cc3ccc(Br)s3)CC2)CCC1 ZINC000419657187 566240808 /nfs/dbraw/zinc/24/08/08/566240808.db2.gz YCEOLFXARCRSBQ-UHFFFAOYSA-N 0 0 397.342 3.032 20 30 GGEDRN CC(C)CCN(C(=O)C(=O)Nc1cccc(C#N)c1Br)C1CC1 ZINC000419663515 566240831 /nfs/dbraw/zinc/24/08/31/566240831.db2.gz QGSPCGHYUBKFOK-UHFFFAOYSA-N 0 0 378.270 3.296 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1c(Cl)cccc1Cl ZINC000183211513 566241005 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N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183244099 566241458 /nfs/dbraw/zinc/24/14/58/566241458.db2.gz HQZHEPYGLVJLPH-MRXNPFEDSA-N 0 0 380.828 3.193 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]1CC(=O)c1cccs1 ZINC000183241571 566241463 /nfs/dbraw/zinc/24/14/63/566241463.db2.gz OKOKVCSWAXJOOQ-CQSZACIVSA-N 0 0 378.450 3.185 20 30 GGEDRN C[C@@H]1CC(NC(=O)C(=O)Nc2cccc(C#N)c2Br)C[C@@H](C)C1 ZINC000419686358 566241616 /nfs/dbraw/zinc/24/16/16/566241616.db2.gz XKGBMLIBMGTDOY-QWRGUYRKSA-N 0 0 378.270 3.200 20 30 GGEDRN C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)CC1(C)C ZINC000419689568 566241767 /nfs/dbraw/zinc/24/17/67/566241767.db2.gz JFJCFBDHVSQEPV-LLVKDONJSA-N 0 0 378.270 3.154 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3cccc(F)c3)C2)cc1Cl ZINC000183244645 566241884 /nfs/dbraw/zinc/24/18/84/566241884.db2.gz SYFOANKPDDWZTA-HNNXBMFYSA-N 0 0 380.828 3.193 20 30 GGEDRN CC1(C)CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419708476 566242251 /nfs/dbraw/zinc/24/22/51/566242251.db2.gz HQNRZDUCSSYHFU-LBPRGKRZSA-N 0 0 378.270 3.202 20 30 GGEDRN CC1(C)CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419708474 566242270 /nfs/dbraw/zinc/24/22/70/566242270.db2.gz HQNRZDUCSSYHFU-GFCCVEGCSA-N 0 0 378.270 3.202 20 30 GGEDRN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cc(Br)c(F)cc1OC ZINC000419723722 566242408 /nfs/dbraw/zinc/24/24/08/566242408.db2.gz GLDXCHYUOBJMPH-JTQLQIEISA-N 0 0 385.233 3.102 20 30 GGEDRN CC[C@]1(C)CCCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419710797 566242539 /nfs/dbraw/zinc/24/25/39/566242539.db2.gz OHNCONYCRBUCOG-QGZVFWFLSA-N 0 0 378.270 3.298 20 30 GGEDRN CCC[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1Br)C1CCC1 ZINC000419722395 566242707 /nfs/dbraw/zinc/24/27/07/566242707.db2.gz BIWZMKDWJDMZAF-ZDUSSCGKSA-N 0 0 378.270 3.344 20 30 GGEDRN CC[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419716691 566242760 /nfs/dbraw/zinc/24/27/60/566242760.db2.gz YXYIFHJSHLCTAO-AULYBMBSSA-N 0 0 378.270 3.344 20 30 GGEDRN C[C@H]1CC2(CCC2)CN1C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419731150 566242967 /nfs/dbraw/zinc/24/29/67/566242967.db2.gz QQIWXPOJPOCPNU-NSHDSACASA-N 0 0 376.254 3.050 20 30 GGEDRN N#Cc1cccc(NC(=O)C(=O)N(CC2CC2)CC2CCC2)c1Br ZINC000419729877 566243001 /nfs/dbraw/zinc/24/30/01/566243001.db2.gz OIPWSFVQVKHHII-UHFFFAOYSA-N 0 0 390.281 3.298 20 30 GGEDRN CC1(C)CCC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419730321 566243074 /nfs/dbraw/zinc/24/30/74/566243074.db2.gz PMNCKWYGQKRYAH-LBPRGKRZSA-N 0 0 378.270 3.344 20 30 GGEDRN C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419737332 566243077 /nfs/dbraw/zinc/24/30/77/566243077.db2.gz XTIZVUAUPJYSOD-YPMHNXCESA-N 0 0 378.270 3.344 20 30 GGEDRN CC[C@@]1(C(C)C)C[C@@H]1NC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419737249 566243276 /nfs/dbraw/zinc/24/32/76/566243276.db2.gz UNGTXTMINIVHDM-GUYCJALGSA-N 0 0 378.270 3.200 20 30 GGEDRN CC[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[C@H]1CC1(C)C ZINC000419784526 566244651 /nfs/dbraw/zinc/24/46/51/566244651.db2.gz QWLKKIWMYNNBSU-TZMCWYRMSA-N 0 0 378.270 3.200 20 30 GGEDRN C[C@H](CN(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1nccs1 ZINC000183343526 566244801 /nfs/dbraw/zinc/24/48/01/566244801.db2.gz UKRBKNLTBZDKTC-SNVBAGLBSA-N 0 0 389.424 3.458 20 30 GGEDRN COc1cc(Br)c(F)cc1S(=O)(=O)OCC(F)(F)C(F)F ZINC000183371201 566245522 /nfs/dbraw/zinc/24/55/22/566245522.db2.gz LQPUXFDQFACCID-UHFFFAOYSA-N 0 0 399.131 3.203 20 30 GGEDRN N#CCN1CCC[C@H](CNC(=O)C2(c3ccc(Br)cc3)CCC2)C1 ZINC000266127629 566246084 /nfs/dbraw/zinc/24/60/84/566246084.db2.gz YFANJXFGJACNNQ-OAHLLOKOSA-N 0 0 390.325 3.223 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCCC2)c(Cl)c1 ZINC000183405173 566246372 /nfs/dbraw/zinc/24/63/72/566246372.db2.gz ZSRJZGWUEZMMFW-HNNXBMFYSA-N 0 0 395.937 3.389 20 30 GGEDRN CC(C)CO[C@H](C)C(N)=NOCc1nnc(-c2ccccc2Br)o1 ZINC000266190186 566246634 /nfs/dbraw/zinc/24/66/34/566246634.db2.gz IJILTEJLXIQBPN-LLVKDONJSA-N 0 0 397.273 3.349 20 30 GGEDRN Cc1cccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC2)c1 ZINC000183437033 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C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](OC)C1 ZINC000508901622 566250780 /nfs/dbraw/zinc/25/07/80/566250780.db2.gz GHTWCZYANRVUJO-CYBMUJFWSA-N 0 0 393.285 3.127 20 30 GGEDRN C=CCSCCNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000508902721 566251050 /nfs/dbraw/zinc/25/10/50/566251050.db2.gz DQHCXFIZAOGDEO-MRXNPFEDSA-N 0 0 389.348 3.402 20 30 GGEDRN C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](C)C1 ZINC000508905071 566251053 /nfs/dbraw/zinc/25/10/53/566251053.db2.gz YABYHWRLNPWOEK-LBPRGKRZSA-N 0 0 393.285 3.127 20 30 GGEDRN N#Cc1ccc2c(c1)N(C(=O)Cc1cccc(I)c1)CC2 ZINC000555771792 566251498 /nfs/dbraw/zinc/25/14/98/566251498.db2.gz HGTQYACAMGVILP-UHFFFAOYSA-N 0 0 388.208 3.295 20 30 GGEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(OC)C1 ZINC000508939635 566251650 /nfs/dbraw/zinc/25/16/50/566251650.db2.gz UBEGEPFUSMHCEH-MRXNPFEDSA-N 0 0 380.290 3.227 20 30 GGEDRN N#Cc1ccc(N2CCN(CCOCC(F)(F)C(F)F)CC2)c(Cl)c1 ZINC000444768054 566251686 /nfs/dbraw/zinc/25/16/86/566251686.db2.gz VDEXSSWIZOELPB-UHFFFAOYSA-N 0 0 379.785 3.251 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](OC)[C@H](OC)C1 ZINC000508953643 566251744 /nfs/dbraw/zinc/25/17/44/566251744.db2.gz VMQQLEIKMDQYLT-HUUCEWRRSA-N 0 0 383.279 3.288 20 30 GGEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOCC1CC1 ZINC000508939621 566252048 /nfs/dbraw/zinc/25/20/48/566252048.db2.gz TXPKJOVNJHMULN-UHFFFAOYSA-N 0 0 380.290 3.085 20 30 GGEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C(C)C)C1 ZINC000508921565 566252453 /nfs/dbraw/zinc/25/24/53/566252453.db2.gz LWVGKSHNHYPUGY-AWEZNQCLSA-N 0 0 380.290 3.083 20 30 GGEDRN Cc1cc(C#N)cnc1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000555842632 566253735 /nfs/dbraw/zinc/25/37/35/566253735.db2.gz KXUFYLCYNZNDSA-OAHLLOKOSA-N 0 0 385.265 3.033 20 30 GGEDRN COC(=O)[C@@H](NC(=O)c1ncc(C#N)cc1Cl)c1ccc(Cl)c(F)c1 ZINC000534769259 566254277 /nfs/dbraw/zinc/25/42/77/566254277.db2.gz JHCJQDIHYPJQJJ-ZDUSSCGKSA-N 0 0 382.178 3.043 20 30 GGEDRN C=CCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H]1CCOC1 ZINC000508999300 566254554 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GGEDRN CC(C)Cn1cc(NC(=O)COc2ccc(C#N)c(Br)c2)cn1 ZINC000449979592 566621270 /nfs/dbraw/zinc/62/12/70/566621270.db2.gz FZJRLOKXRUOVIK-UHFFFAOYSA-N 0 0 377.242 3.191 20 30 GGEDRN Cc1cnn(CC2CCN(C(=O)c3cccc(C#N)c3Br)CC2)c1 ZINC000449969466 566621366 /nfs/dbraw/zinc/62/13/66/566621366.db2.gz FGTXAMAEKSLUKT-UHFFFAOYSA-N 0 0 387.281 3.378 20 30 GGEDRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccc(C#N)c1Br ZINC000449963211 566621466 /nfs/dbraw/zinc/62/14/66/566621466.db2.gz YDUDUQZTFLYWAW-JTQLQIEISA-N 0 0 375.270 3.032 20 30 GGEDRN CCc1cnc(CNC(=O)COc2cccc(Br)c2C#N)s1 ZINC000449976234 566621480 /nfs/dbraw/zinc/62/14/80/566621480.db2.gz UGSDIGCPKIBUOL-UHFFFAOYSA-N 0 0 380.267 3.035 20 30 GGEDRN N#CC(=C([O-])c1cn2ccc(Br)cc2[nH+]1)c1nc2ccccc2[nH]1 ZINC000513746154 566621561 /nfs/dbraw/zinc/62/15/61/566621561.db2.gz PLSWDEZMFXRAGX-LLVKDONJSA-N 0 0 380.205 3.463 20 30 GGEDRN C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000425242135 566621888 /nfs/dbraw/zinc/62/18/88/566621888.db2.gz 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C=CCCOCCNC(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000540242144 566639208 /nfs/dbraw/zinc/63/92/08/566639208.db2.gz GHRFNEYUZNZDHK-CZUORRHYSA-N 0 0 385.302 3.417 20 30 GGEDRN CC(C)CCn1ccc(=NC(=O)COc2ccc(C#N)c(Br)c2)[nH]1 ZINC000450151003 566639789 /nfs/dbraw/zinc/63/97/89/566639789.db2.gz XDRWHVWRZNXBNX-UHFFFAOYSA-N 0 0 391.269 3.003 20 30 GGEDRN CCOCCC1(CNC(=O)COc2cccc(Br)c2C#N)CCC1 ZINC000450151184 566640053 /nfs/dbraw/zinc/64/00/53/566640053.db2.gz XSENJBOHTNTYDM-UHFFFAOYSA-N 0 0 395.297 3.413 20 30 GGEDRN N#Cc1c(Br)cccc1OCC(=O)NCC1(CCO)CCCCC1 ZINC000450163350 566640124 /nfs/dbraw/zinc/64/01/24/566640124.db2.gz MNSRICOOEFSXMZ-UHFFFAOYSA-N 0 0 395.297 3.149 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCCCC1CC1 ZINC000579808569 566641193 /nfs/dbraw/zinc/64/11/93/566641193.db2.gz SBUQCFCBXWTULL-UHFFFAOYSA-N 0 0 381.270 3.259 20 30 GGEDRN C=CCn1cc(CNC(=O)N[C@@H](C)CCc2ccc(Br)cc2)nn1 ZINC000425417849 566641846 /nfs/dbraw/zinc/64/18/46/566641846.db2.gz NJELYVXRGWFMIB-ZDUSSCGKSA-N 0 0 392.301 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COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCSC[C@H]1C#N ZINC000540430347 566650192 /nfs/dbraw/zinc/65/01/92/566650192.db2.gz OKTVUPQMZPPEPH-GOEBONIOSA-N 0 0 397.338 3.112 20 30 GGEDRN C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc(C#N)n1C ZINC000450256072 566650542 /nfs/dbraw/zinc/65/05/42/566650542.db2.gz FFPHCBCRVMMZDJ-SJCJKPOMSA-N 0 0 388.265 3.261 20 30 GGEDRN CC(C)(NC(=O)c1cccc(C#N)c1Br)C(=O)NCC1CCCC1 ZINC000450267689 566651355 /nfs/dbraw/zinc/65/13/55/566651355.db2.gz XNNNCSSMDNJNRK-UHFFFAOYSA-N 0 0 392.297 3.136 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000450257887 566651431 /nfs/dbraw/zinc/65/14/31/566651431.db2.gz NYMPFBBDBLZTOZ-IEAZIUSSSA-N 0 0 380.282 3.329 20 30 GGEDRN O=C(NCC1(CF)CCOCC1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000653106356 566651480 /nfs/dbraw/zinc/65/14/80/566651480.db2.gz QOGANWPFIIKFIW-AOOOYVTPSA-N 0 0 380.304 3.135 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000450257889 566651502 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N#Cc1ccc(C(=O)CNC(=O)c2cc(Br)c(F)cc2F)cc1 ZINC000560736005 566653508 /nfs/dbraw/zinc/65/35/08/566653508.db2.gz XMMUJZQQSDQUQC-UHFFFAOYSA-N 0 0 379.160 3.212 20 30 GGEDRN C=CCn1cc(CNC(=O)N(C)[C@H](C)c2ccccc2Br)nn1 ZINC000579950419 566653758 /nfs/dbraw/zinc/65/37/58/566653758.db2.gz XUIHNVLXHAEVHJ-GFCCVEGCSA-N 0 0 378.274 3.129 20 30 GGEDRN CCOc1cccc([C@H]2C[C@H]2NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000540482496 566653669 /nfs/dbraw/zinc/65/36/69/566653669.db2.gz KUCKJTFYLTYMOC-SJLPKXTDSA-N 0 0 376.865 3.445 20 30 GGEDRN N#CCCC1CCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000579955320 566653984 /nfs/dbraw/zinc/65/39/84/566653984.db2.gz MSQNYCSRQPUQAY-UHFFFAOYSA-N 0 0 382.913 3.436 20 30 GGEDRN C[C@H](Oc1ccccc1Br)C(=O)NCC(=O)c1ccc(C#N)cc1 ZINC000560735944 566654062 /nfs/dbraw/zinc/65/40/62/566654062.db2.gz WOHLLFOPYUCIQO-LBPRGKRZSA-N 0 0 387.233 3.087 20 30 GGEDRN C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCCn1cc(Br)cn1 ZINC000425538234 566654498 /nfs/dbraw/zinc/65/44/98/566654498.db2.gz 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CO[C@H](C)c1noc(CCC(=O)Nc2ccc(Br)c(C#N)c2C)n1 ZINC000425625032 566659940 /nfs/dbraw/zinc/65/99/40/566659940.db2.gz FTXOEEGEKKKOFQ-SNVBAGLBSA-N 0 0 393.241 3.291 20 30 GGEDRN Cc1n[nH]cc1C1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000580037897 566660342 /nfs/dbraw/zinc/66/03/42/566660342.db2.gz HHQAUJHNYQISIV-UHFFFAOYSA-N 0 0 378.885 3.006 20 30 GGEDRN Cc1c(C#N)c(Br)ccc1NC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000425630747 566661254 /nfs/dbraw/zinc/66/12/54/566661254.db2.gz OKNRRAYHLOARAW-BLLLJJGKSA-N 0 0 389.253 3.079 20 30 GGEDRN N#Cc1cc(Br)cnc1N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000450364287 566662185 /nfs/dbraw/zinc/66/21/85/566662185.db2.gz XVBOLJWGYDDFSU-ZACQAIPSSA-N 0 0 397.276 3.285 20 30 GGEDRN CS(=O)(=O)c1cc(NC(=O)[C@H](C#N)CCc2ccccc2)ccc1Cl ZINC000487311124 566663300 /nfs/dbraw/zinc/66/33/00/566663300.db2.gz RPVIXPAPJYDNTR-AWEZNQCLSA-N 0 0 376.865 3.455 20 30 GGEDRN N#Cc1ccc(NC[C@@H](CO)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000514698710 566663626 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N#Cc1ccnc(N[C@H]2CCN(c3cccc(Br)c3)C2)c1Cl ZINC000561326613 566695531 /nfs/dbraw/zinc/69/55/31/566695531.db2.gz XTSQFHNMPNZAGD-ZDUSSCGKSA-N 0 0 377.673 3.482 20 30 GGEDRN C[C@@H](COCC(F)(F)F)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487892594 566695594 /nfs/dbraw/zinc/69/55/94/566695594.db2.gz FKJILXNSTGQXLS-QMMMGPOBSA-N 0 0 380.164 3.410 20 30 GGEDRN Cc1cc(CN2CCN(c3cc(Br)c(C#N)cc3F)CC2)no1 ZINC000515162833 566696555 /nfs/dbraw/zinc/69/65/55/566696555.db2.gz RQJWSOANUFOTOG-UHFFFAOYSA-N 0 0 379.233 3.079 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Br)ccc1OCCOCC ZINC000450705083 566697299 /nfs/dbraw/zinc/69/72/99/566697299.db2.gz WPPKCFAWPFEFDZ-HIFRSBDPSA-N 0 0 384.270 3.394 20 30 GGEDRN N#Cc1ccc(NC(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cc1Br ZINC000487934812 566697195 /nfs/dbraw/zinc/69/71/95/566697195.db2.gz LIPMXTZHFYMOCU-UHFFFAOYSA-N 0 0 386.209 3.224 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)c1cccc(O)c1 ZINC000561342801 566697094 /nfs/dbraw/zinc/69/70/94/566697094.db2.gz OTFFZVNKEATPDE-SNVBAGLBSA-N 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COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(C#N)cc1Cl ZINC000468381162 566699930 /nfs/dbraw/zinc/69/99/30/566699930.db2.gz CXZOXRWLMICGDV-UHFFFAOYSA-N 0 0 384.816 3.177 20 30 GGEDRN N#Cc1ccc(NCC(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)nc1 ZINC000561381122 566700405 /nfs/dbraw/zinc/70/04/05/566700405.db2.gz GAYDPQBMOXKXKL-UHFFFAOYSA-N 0 0 375.259 3.285 20 30 GGEDRN COc1cc(CNC(=O)[C@H](C)Oc2ccc(Br)cc2)ccc1C#N ZINC000515259212 566700930 /nfs/dbraw/zinc/70/09/30/566700930.db2.gz OXBDSPGHKRKAAP-LBPRGKRZSA-N 0 0 389.249 3.413 20 30 GGEDRN CC(C)(C#N)CCS(=O)(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000561396271 566701377 /nfs/dbraw/zinc/70/13/77/566701377.db2.gz FSSZFEKAFNYEIG-LBPRGKRZSA-N 0 0 390.336 3.431 20 30 GGEDRN N#Cc1ccc(NC(=O)NCc2ccccc2OCCO)cc1Br ZINC000487984452 566701698 /nfs/dbraw/zinc/70/16/98/566701698.db2.gz OEKVREAERRRPLE-UHFFFAOYSA-N 0 0 390.237 3.014 20 30 GGEDRN CC[C@@H](CO)N(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000468434376 566701842 /nfs/dbraw/zinc/70/18/42/566701842.db2.gz GRXUHNKLAKVARW-HNNXBMFYSA-N 0 0 378.881 3.173 20 30 GGEDRN C[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)NC1(C#N)CCC1 ZINC000468465786 566702249 /nfs/dbraw/zinc/70/22/49/566702249.db2.gz FEBBFWCMPQDTIM-VIFPVBQESA-N 0 0 384.255 3.400 20 30 GGEDRN Cc1noc(C2(C)CCN(C(=O)c3ccc(Br)cc3C#N)CC2)n1 ZINC000450759147 566702403 /nfs/dbraw/zinc/70/24/03/566702403.db2.gz MLGVQSWDLXWRLP-UHFFFAOYSA-N 0 0 389.253 3.206 20 30 GGEDRN N#Cc1ccnc(SCC(=O)Nc2ccccc2I)c1 ZINC000515289660 566702727 /nfs/dbraw/zinc/70/27/27/566702727.db2.gz OBJUBZHBBMXPQR-UHFFFAOYSA-N 0 0 395.225 3.289 20 30 GGEDRN CN(C)[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)c1ccco1 ZINC000488011852 566702728 /nfs/dbraw/zinc/70/27/28/566702728.db2.gz ZBYOZSGHMNCBDP-AWEZNQCLSA-N 0 0 377.242 3.338 20 30 GGEDRN Cc1nc(NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c(Cl)cc1C#N ZINC000515263649 566702816 /nfs/dbraw/zinc/70/28/16/566702816.db2.gz WHAMCZATODPNLG-LBPRGKRZSA-N 0 0 396.925 3.099 20 30 GGEDRN CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487995097 566702838 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COCC[C@H](Cc1ccco1)NC(=O)c1ccc(Br)cc1C#N ZINC000450791713 566706904 /nfs/dbraw/zinc/70/69/04/566706904.db2.gz IWUIIWJZQHRLHW-CQSZACIVSA-N 0 0 377.238 3.291 20 30 GGEDRN COc1ccc([C@H](C#N)N2CCN(C(=O)c3csc(Cl)c3)CC2)cc1 ZINC000468534729 566708181 /nfs/dbraw/zinc/70/81/81/566708181.db2.gz FDFHKWBQPYBJER-INIZCTEOSA-N 0 0 375.881 3.433 20 30 GGEDRN N#Cc1cccc(C(=O)N2CC[C@H](n3cnc4c3CCCC4)C2)c1Br ZINC000450822466 566709130 /nfs/dbraw/zinc/70/91/30/566709130.db2.gz BFDAQLIKCKERLP-AWEZNQCLSA-N 0 0 399.292 3.483 20 30 GGEDRN Cc1csc(C(=O)NCC#Cc2ccccc2)c1I ZINC000468549019 566709476 /nfs/dbraw/zinc/70/94/76/566709476.db2.gz RGJYDPYWSSYYGR-UHFFFAOYSA-N 0 0 381.238 3.443 20 30 GGEDRN C[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000515408016 566711368 /nfs/dbraw/zinc/71/13/68/566711368.db2.gz UHOZXGIYARLVQN-LBPRGKRZSA-N 0 0 391.290 3.456 20 30 GGEDRN CS(=O)(=O)N(Cc1ccc(CC#N)cc1)Cc1cccc(Br)c1 ZINC000541290506 566711512 /nfs/dbraw/zinc/71/15/12/566711512.db2.gz MYKYCRRGFFCHMD-UHFFFAOYSA-N 0 0 393.306 3.477 20 30 GGEDRN Cc1ccnc(NC[C@@H](CO)Cc2cc(Br)ccc2F)c1C#N ZINC000450850108 566711867 /nfs/dbraw/zinc/71/18/67/566711867.db2.gz UQTOGDLAKUFJRL-LBPRGKRZSA-N 0 0 378.245 3.426 20 30 GGEDRN Cc1ccnc(NC[C@H](CO)Cc2cc(Br)ccc2F)c1C#N ZINC000450850107 566712811 /nfs/dbraw/zinc/71/28/11/566712811.db2.gz UQTOGDLAKUFJRL-GFCCVEGCSA-N 0 0 378.245 3.426 20 30 GGEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000515427514 566712908 /nfs/dbraw/zinc/71/29/08/566712908.db2.gz GQDOYJCHKYAAQY-OLZOCXBDSA-N 0 0 378.881 3.134 20 30 GGEDRN N#CCc1cccc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 ZINC000468604176 566712969 /nfs/dbraw/zinc/71/29/69/566712969.db2.gz XCIARQCOOOXCBJ-UHFFFAOYSA-N 0 0 397.232 3.495 20 30 GGEDRN Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccc(S(C)(=O)=O)s1 ZINC000468597721 566713068 /nfs/dbraw/zinc/71/30/68/566713068.db2.gz NLIBLCZHIRICQF-UHFFFAOYSA-N 0 0 375.450 3.053 20 30 GGEDRN N#Cc1ccc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)s1 ZINC000468595678 566713266 /nfs/dbraw/zinc/71/32/66/566713266.db2.gz 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C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(CO)n1C ZINC000426580027 566719020 /nfs/dbraw/zinc/71/90/20/566719020.db2.gz PAALDXOMPWQBFS-GFCCVEGCSA-N 0 0 376.507 3.037 20 30 GGEDRN CCCNC(=O)CSc1nnc(SCc2cccc(F)c2C#N)s1 ZINC000488275143 566719243 /nfs/dbraw/zinc/71/92/43/566719243.db2.gz VVUTZWXPPLVQQI-UHFFFAOYSA-N 0 0 382.511 3.459 20 30 GGEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)C[C@@H]1CCCO1 ZINC000580742764 566719823 /nfs/dbraw/zinc/71/98/23/566719823.db2.gz KUFBVWYBWYCXON-ZDUSSCGKSA-N 0 0 380.290 3.227 20 30 GGEDRN N#Cc1ccnc(NCCc2c[nH]c3ccc(Br)cc23)c1[N+](=O)[O-] ZINC000541349692 566720090 /nfs/dbraw/zinc/72/00/90/566720090.db2.gz GHQBLWNHMCBJTC-UHFFFAOYSA-N 0 0 386.209 3.182 20 30 GGEDRN C=CCC[C@@H](CO)Nc1ncnc(CC(C)C)c1I ZINC000450919925 566720709 /nfs/dbraw/zinc/72/07/09/566720709.db2.gz ZZQZSSXGZKUSGZ-NSHDSACASA-N 0 0 375.254 3.019 20 30 GGEDRN C=CCOC[C@H]1NC(=O)N([C@@H]2c3cc(Br)ccc3CC2(C)C)C1=O ZINC000515546524 566720882 /nfs/dbraw/zinc/72/08/82/566720882.db2.gz CALFNFBVIVKPDX-HUUCEWRRSA-N 0 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CNC(=O)COc1ccc(OCc2ccc(Br)cc2C#N)cc1 ZINC000581212954 566759340 /nfs/dbraw/zinc/75/93/40/566759340.db2.gz VQXHBUSXMRKMMS-UHFFFAOYSA-N 0 0 375.222 3.025 20 30 GGEDRN C=C[C@@H]1CCCCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000581226823 566759355 /nfs/dbraw/zinc/75/93/55/566759355.db2.gz DKHQMMHVGCMMBG-GFCCVEGCSA-N 0 0 386.189 3.380 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)NCc1ccc(Br)cc1 ZINC000609322184 566759616 /nfs/dbraw/zinc/75/96/16/566759616.db2.gz LXJBXIJCSICRSP-UHFFFAOYSA-N 0 0 375.222 3.025 20 30 GGEDRN CC(C)OC1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000609334659 566759772 /nfs/dbraw/zinc/75/97/72/566759772.db2.gz VMCRDWQBUBDUOC-UHFFFAOYSA-N 0 0 376.400 3.155 20 30 GGEDRN N#Cc1ccc(C(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)nc1 ZINC000609344814 566760368 /nfs/dbraw/zinc/76/03/68/566760368.db2.gz DLGXEOLJQVBORY-UHFFFAOYSA-N 0 0 381.233 3.396 20 30 GGEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000581235184 566760478 /nfs/dbraw/zinc/76/04/78/566760478.db2.gz MJTIAUVHJKXDBP-SJORKVTESA-N 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C=CCn1cccc1C(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000489004823 566763897 /nfs/dbraw/zinc/76/38/97/566763897.db2.gz CFOKUZHCYLZFSU-UHFFFAOYSA-N 0 0 381.245 3.210 20 30 GGEDRN Cc1cc(C)c(NC(=O)C(=O)N2CCC(CC#N)CC2)c(Br)c1 ZINC000541972155 566764426 /nfs/dbraw/zinc/76/44/26/566764426.db2.gz WNOVCPFIOUHPBU-UHFFFAOYSA-N 0 0 378.270 3.157 20 30 GGEDRN CCCN(CCc1ccccn1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451134157 566764728 /nfs/dbraw/zinc/76/47/28/566764728.db2.gz GSVCPICRBDYBRT-UHFFFAOYSA-N 0 0 377.897 3.444 20 30 GGEDRN CC(C)[C@H](C#N)N1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000609458070 566765339 /nfs/dbraw/zinc/76/53/39/566765339.db2.gz MAEGYAFMWGAVLT-KRWDZBQOSA-N 0 0 389.297 3.236 20 30 GGEDRN CN(Cc1ccccc1Br)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489053355 566765381 /nfs/dbraw/zinc/76/53/81/566765381.db2.gz QXBUESIIKNZSPH-UHFFFAOYSA-N 0 0 383.242 3.281 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)C1(COC)CC1 ZINC000451153188 566765621 /nfs/dbraw/zinc/76/56/21/566765621.db2.gz ZEPNNJLBTGVZJH-UHFFFAOYSA-N 0 0 392.290 3.085 20 30 GGEDRN N#CCC1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000541985513 566765562 /nfs/dbraw/zinc/76/55/62/566765562.db2.gz ZQNRPAGLUUDPNY-INIZCTEOSA-N 0 0 377.897 3.007 20 30 GGEDRN C=CCCCS(=O)(=O)N(CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000489047903 566765607 /nfs/dbraw/zinc/76/56/07/566765607.db2.gz OKERVBTXLUETFF-UHFFFAOYSA-N 0 0 378.416 3.050 20 30 GGEDRN CN(C)c1cc(Cl)cc(Cl)c1CN(CCC#N)CCN1CCOCC1 ZINC000581303168 566765590 /nfs/dbraw/zinc/76/55/90/566765590.db2.gz IMMKMHCZKDNUGR-UHFFFAOYSA-N 0 0 385.339 3.107 20 30 GGEDRN COCC#CCN1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000677816879 566766226 /nfs/dbraw/zinc/76/62/26/566766226.db2.gz BYMYILGITDFEAG-MRXNPFEDSA-N 0 0 390.281 3.210 20 30 GGEDRN Cc1cc(NC(=O)CNC(=O)NCC(C)(C)CCC#N)ccc1Br ZINC000489075727 566766584 /nfs/dbraw/zinc/76/65/84/566766584.db2.gz HJFZTPVMCSRLEM-UHFFFAOYSA-N 0 0 395.301 3.325 20 30 GGEDRN CC(C)[C@@H](C#N)N1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000609485406 566766567 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CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2cccc(C#N)c2Br)[nH]1 ZINC000451159862 566767104 /nfs/dbraw/zinc/76/71/04/566767104.db2.gz FAJVWPSQWGCFTR-ZJUUUORDSA-N 0 0 376.258 3.443 20 30 GGEDRN CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2cccc(C#N)c2Br)[nH]1 ZINC000451159860 566767534 /nfs/dbraw/zinc/76/75/34/566767534.db2.gz FAJVWPSQWGCFTR-VHSXEESVSA-N 0 0 376.258 3.443 20 30 GGEDRN Cc1nc(-c2ccc(CNS(=O)(=O)c3ccc(C#N)c(F)c3)o2)cs1 ZINC000489084769 566768265 /nfs/dbraw/zinc/76/82/65/566768265.db2.gz XSGNLNBVOVNUSA-UHFFFAOYSA-N 0 0 377.422 3.201 20 30 GGEDRN N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000609513584 566768273 /nfs/dbraw/zinc/76/82/73/566768273.db2.gz UCORDNKUPYDOCX-GFCCVEGCSA-N 0 0 388.225 3.315 20 30 GGEDRN C[C@H](C#N)CNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000609524914 566768431 /nfs/dbraw/zinc/76/84/31/566768431.db2.gz MLBWBIGTRIMLHV-LLVKDONJSA-N 0 0 390.237 3.113 20 30 GGEDRN Cc1nsc(N2CCN(C(=O)CCc3ccc(Cl)s3)CC2)c1C#N ZINC000562181353 566768571 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383.245 3.455 20 30 GGEDRN CN(CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(Cl)c(Cl)c1 ZINC000516599199 566772426 /nfs/dbraw/zinc/77/24/26/566772426.db2.gz YAKDXCUHBQNETC-UHFFFAOYSA-N 0 0 384.288 3.166 20 30 GGEDRN CCN(c1ccncc1)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000516601902 566772626 /nfs/dbraw/zinc/77/26/26/566772626.db2.gz PKXWSUVZUGBULZ-UHFFFAOYSA-N 0 0 384.230 3.070 20 30 GGEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](C#N)c1ccccc1Br ZINC000609591340 566772702 /nfs/dbraw/zinc/77/27/02/566772702.db2.gz MJORIYUJAHCFNX-SJKOYZFVSA-N 0 0 384.233 3.469 20 30 GGEDRN N#C[C@@H](NC(=O)C[C@@H]1C(=O)Nc2ccccc21)c1ccccc1Br ZINC000609591365 566772710 /nfs/dbraw/zinc/77/27/10/566772710.db2.gz SILWWPJODLTHAD-XJKSGUPXSA-N 0 0 384.233 3.256 20 30 GGEDRN N#C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1Br ZINC000609591247 566772721 /nfs/dbraw/zinc/77/27/21/566772721.db2.gz LINVVGPTYSSZRR-CXAGYDPISA-N 0 0 398.260 3.183 20 30 GGEDRN Cc1ccc(-n2cc(C(=O)N[C@H](C#N)c3ccccc3Br)nn2)cc1 ZINC000609589738 566772733 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N#C[C@@H](NC(=O)c1cn(Cc2ccccc2)nn1)c1ccccc1Br ZINC000609591269 566773066 /nfs/dbraw/zinc/77/30/66/566773066.db2.gz RCIYFYZLQMXCIW-MRXNPFEDSA-N 0 0 396.248 3.084 20 30 GGEDRN C[S@](=O)Cc1cccc(C(=O)N[C@H](C#N)c2ccccc2Br)c1 ZINC000609590993 566773093 /nfs/dbraw/zinc/77/30/93/566773093.db2.gz OIXHEAILAHJEKB-MWTRTKDXSA-N 0 0 391.290 3.322 20 30 GGEDRN N#C[C@H](NC(=O)c1cn(Cc2ccccc2)nn1)c1ccccc1Br ZINC000609591267 566773112 /nfs/dbraw/zinc/77/31/12/566773112.db2.gz RCIYFYZLQMXCIW-INIZCTEOSA-N 0 0 396.248 3.084 20 30 GGEDRN Cc1ccc(-n2cc(C(=O)N[C@@H](C#N)c3ccccc3Br)nn2)cc1 ZINC000609589737 566773174 /nfs/dbraw/zinc/77/31/74/566773174.db2.gz IDAWTYNDJJMNJP-INIZCTEOSA-N 0 0 396.248 3.333 20 30 GGEDRN CSCC[C@](C)(C#N)NC(=O)COc1ccc(Br)cc1F ZINC000581393996 566773435 /nfs/dbraw/zinc/77/34/35/566773435.db2.gz QEGWPWAHMGEUTB-CQSZACIVSA-N 0 0 375.263 3.119 20 30 GGEDRN C=CCCCS(=O)(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000489190323 566773628 /nfs/dbraw/zinc/77/36/28/566773628.db2.gz 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CCCC(=O)N1CCC[C@H](C(=O)N[C@H](C#N)c2ccccc2Br)C1 ZINC000609591963 566774418 /nfs/dbraw/zinc/77/44/18/566774418.db2.gz TZMYTACKAWGZBM-XJKSGUPXSA-N 0 0 392.297 3.169 20 30 GGEDRN N#C[C@H](NC(=O)CSCc1cccnc1)c1ccccc1Br ZINC000609592075 566774451 /nfs/dbraw/zinc/77/44/51/566774451.db2.gz VGXDYLNHEASCBB-HNNXBMFYSA-N 0 0 376.279 3.458 20 30 GGEDRN Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H](C#N)c1ccccc1Br ZINC000609591762 566774473 /nfs/dbraw/zinc/77/44/73/566774473.db2.gz WYQUVJWFUFIVLD-ZUZCIYMTSA-N 0 0 375.270 3.284 20 30 GGEDRN CN(C)C(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccccc2Br)cc1 ZINC000609592019 566774494 /nfs/dbraw/zinc/77/44/94/566774494.db2.gz URXUJSQRUNZFOT-INIZCTEOSA-N 0 0 386.249 3.146 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000581418010 566774572 /nfs/dbraw/zinc/77/45/72/566774572.db2.gz ILCJTEMDZFWHOK-YMTOWFKASA-N 0 0 382.283 3.139 20 30 GGEDRN C[C@@H](C#N)S(=O)(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000581418009 566774883 /nfs/dbraw/zinc/77/48/83/566774883.db2.gz ILCJTEMDZFWHOK-XPTSAGLGSA-N 0 0 382.283 3.139 20 30 GGEDRN CCC[C@H](C)N1C[C@H](C(=O)N[C@@H](C#N)c2ccccc2Br)CC1=O ZINC000609593757 566774881 /nfs/dbraw/zinc/77/48/81/566774881.db2.gz HGTMFZQPCGGBBB-ZENOOKHLSA-N 0 0 392.297 3.167 20 30 GGEDRN CC(C)c1noc(CCC(=O)N[C@@H](C#N)c2ccccc2Br)n1 ZINC000609594081 566774984 /nfs/dbraw/zinc/77/49/84/566774984.db2.gz VBWWIHSNILCVIB-ZDUSSCGKSA-N 0 0 377.242 3.269 20 30 GGEDRN Cc1nn(C)c2nc(C)cc(C(=O)N[C@H](C#N)c3ccccc3Br)c12 ZINC000609594115 566775039 /nfs/dbraw/zinc/77/50/39/566775039.db2.gz WFWVXSFYBADJBA-OAHLLOKOSA-N 0 0 398.264 3.342 20 30 GGEDRN Cc1c(C(=O)N[C@H](C#N)c2ccccc2Br)cnn1-c1ccccn1 ZINC000609593491 566775106 /nfs/dbraw/zinc/77/51/06/566775106.db2.gz XSNRCLYDVJRTNK-MRXNPFEDSA-N 0 0 396.248 3.333 20 30 GGEDRN C=C(C)Cn1c(CC)nnc1N(CCO)Cc1ccc(Br)s1 ZINC000562264585 566775524 /nfs/dbraw/zinc/77/55/24/566775524.db2.gz GCNWPMMWFRFPCU-UHFFFAOYSA-N 0 0 385.331 3.240 20 30 GGEDRN N#Cc1cccc(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1Br ZINC000451199068 566775743 /nfs/dbraw/zinc/77/57/43/566775743.db2.gz DDNIONOWSKQYSM-GXFFZTMASA-N 0 0 391.187 3.096 20 30 GGEDRN Cn1cc(-c2cncc(C(=O)N[C@@H](C#N)c3ccccc3Br)c2)cn1 ZINC000609593886 566775912 /nfs/dbraw/zinc/77/59/12/566775912.db2.gz LVUXJBNFVZXYAX-KRWDZBQOSA-N 0 0 396.248 3.239 20 30 GGEDRN CCC[C@H](C)N1C[C@H](C(=O)N[C@H](C#N)c2ccccc2Br)CC1=O ZINC000609593755 566775989 /nfs/dbraw/zinc/77/59/89/566775989.db2.gz HGTMFZQPCGGBBB-WOSRLPQWSA-N 0 0 392.297 3.167 20 30 GGEDRN N#C[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccccc1Br ZINC000609593788 566776032 /nfs/dbraw/zinc/77/60/32/566776032.db2.gz IGJFWQRINOPSSP-LLVKDONJSA-N 0 0 387.159 3.045 20 30 GGEDRN COc1ccc(CN(C)S(=O)(=O)c2cccc(Cl)c2C#N)cc1OC ZINC000609614580 566776072 /nfs/dbraw/zinc/77/60/72/566776072.db2.gz IJGUQQKVKBVNCV-UHFFFAOYSA-N 0 0 380.853 3.050 20 30 GGEDRN Cc1cc(NC(=O)C(=O)N2CCC(CCC#N)CC2)c(F)cc1Br ZINC000581428101 566776629 /nfs/dbraw/zinc/77/66/29/566776629.db2.gz GTZIAYIQMXDZJU-UHFFFAOYSA-N 0 0 396.260 3.378 20 30 GGEDRN 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MQABTLDRNKWSJG-UHFFFAOYSA-N 0 0 389.483 3.399 20 30 GGEDRN N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000517940893 566855760 /nfs/dbraw/zinc/85/57/60/566855760.db2.gz VKNONMZHDUZTPN-XJKSGUPXSA-N 0 0 393.281 3.117 20 30 GGEDRN CC[C@@H](COCC(F)(F)F)NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451648462 566855824 /nfs/dbraw/zinc/85/58/24/566855824.db2.gz PLLTWJAEQFTWJE-NSHDSACASA-N 0 0 384.807 3.042 20 30 GGEDRN N#Cc1cc([N+](=O)[O-])cnc1N1CCc2c(F)cc(Br)cc2C1 ZINC000610726247 566855930 /nfs/dbraw/zinc/85/59/30/566855930.db2.gz HFYROFDDBMVEMC-UHFFFAOYSA-N 0 0 377.173 3.326 20 30 GGEDRN Cc1ccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)c(Br)c1 ZINC000517952545 566856126 /nfs/dbraw/zinc/85/61/26/566856126.db2.gz SPRBXNILPLLESX-UHFFFAOYSA-N 0 0 398.260 3.373 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2COc3c2cccc3Cl)c1 ZINC000610710966 566856605 /nfs/dbraw/zinc/85/66/05/566856605.db2.gz BCSGLDZKYKUSPF-AWEZNQCLSA-N 0 0 376.199 3.053 20 30 GGEDRN COc1cc(Br)ccc1CCCn1nc(C)c(C)c(C#N)c1=O ZINC000543153672 566857290 /nfs/dbraw/zinc/85/72/90/566857290.db2.gz MQUOBOSYURJSRO-UHFFFAOYSA-N 0 0 376.254 3.136 20 30 GGEDRN N#Cc1ccc(OCCn2cnc3cc(F)c(Br)cc3c2=O)cc1 ZINC000543149470 566857353 /nfs/dbraw/zinc/85/73/53/566857353.db2.gz ZJJABDMXSZWWSY-UHFFFAOYSA-N 0 0 388.196 3.249 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)N2CCc3c(F)cc(Br)cc3C2)c1 ZINC000610728008 566857503 /nfs/dbraw/zinc/85/75/03/566857503.db2.gz PNKUQCNDYOGCHI-UHFFFAOYSA-N 0 0 395.253 3.207 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)CN1CCc2c(F)cc(Br)cc2C1 ZINC000610729058 566857961 /nfs/dbraw/zinc/85/79/61/566857961.db2.gz GFGCBOQZXPQUPW-KRWDZBQOSA-N 0 0 382.277 3.001 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1OCCc2sccc21 ZINC000490498190 566857898 /nfs/dbraw/zinc/85/78/98/566857898.db2.gz CPFMZKMXWUAJJW-HWPZZCPQSA-N 0 0 382.894 3.254 20 30 GGEDRN Cc1nc(C)c([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)s1 ZINC000490493110 566858041 /nfs/dbraw/zinc/85/80/41/566858041.db2.gz TXHDZXJJVYVNOA-SNVBAGLBSA-N 0 0 376.869 3.443 20 30 GGEDRN CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(Cl)cc2Br)CC1 ZINC000610755816 566859184 /nfs/dbraw/zinc/85/91/84/566859184.db2.gz FKOZPQFVIINREM-HNNXBMFYSA-N 0 0 384.705 3.408 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000490510961 566859286 /nfs/dbraw/zinc/85/92/86/566859286.db2.gz ZGILCCYEUCAVHS-BBRMVZONSA-N 0 0 387.958 3.233 20 30 GGEDRN Cc1nc(CNS(=O)(=O)CC2(C#N)CCCCC2)sc1Br ZINC000451660289 566859495 /nfs/dbraw/zinc/85/94/95/566859495.db2.gz FKZPKNFIWIZRGB-UHFFFAOYSA-N 0 0 392.344 3.108 20 30 GGEDRN CC[C@](C)(C#N)C(=O)N[C@@H](C)c1ccc(Br)cc1OCCCO ZINC000428605780 566861833 /nfs/dbraw/zinc/86/18/33/566861833.db2.gz VXXRXVMBELCHCT-YVEFUNNKSA-N 0 0 383.286 3.327 20 30 GGEDRN COCC[C@](C)(C#N)NC(=O)c1cc(Cl)c(Br)cc1OC ZINC000563170675 566862456 /nfs/dbraw/zinc/86/24/56/566862456.db2.gz NCPYUESOLIQTJF-CQSZACIVSA-N 0 0 375.650 3.160 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)NC2(Cc3ccccc3Br)CC2)c1 ZINC000490536476 566862953 /nfs/dbraw/zinc/86/29/53/566862953.db2.gz SNVHBBQKIQGOAD-UHFFFAOYSA-N 0 0 391.290 3.374 20 30 GGEDRN N#C[C@@]1(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)CCSC1 ZINC000610781322 566862913 /nfs/dbraw/zinc/86/29/13/566862913.db2.gz PKOXLRMMRRDVJN-KRWDZBQOSA-N 0 0 377.922 3.445 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@H]1OCCc2sccc21 ZINC000490540912 566863430 /nfs/dbraw/zinc/86/34/30/566863430.db2.gz CDABBYVERCFAFA-QLJPJBMISA-N 0 0 382.894 3.254 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H]1CCCCS1 ZINC000543214974 566863897 /nfs/dbraw/zinc/86/38/97/566863897.db2.gz MTMXNWDEWNRFLZ-ZIAGYGMSSA-N 0 0 377.535 3.279 20 30 GGEDRN C[C@H](C(=O)N(C)c1cc(Cl)ccc1C#N)c1ccc(S(C)(=O)=O)cc1 ZINC000610794040 566864819 /nfs/dbraw/zinc/86/48/19/566864819.db2.gz UNDCGXLAMJMENT-LBPRGKRZSA-N 0 0 376.865 3.382 20 30 GGEDRN CC1(C)Cc2ccc(Br)cc2[C@H]1NS(=O)(=O)CC1(C#N)CC1 ZINC000490567458 566864803 /nfs/dbraw/zinc/86/48/03/566864803.db2.gz IVZCIZFZWHQVDZ-CQSZACIVSA-N 0 0 383.311 3.296 20 30 GGEDRN C=CCCO[C@@H](C)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000470327299 566865190 /nfs/dbraw/zinc/86/51/90/566865190.db2.gz NKIOVDDLKVWEGG-ZDUSSCGKSA-N 0 0 378.270 3.232 20 30 GGEDRN Cc1cccc(C)c1NC(=O)C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000610808109 566865445 /nfs/dbraw/zinc/86/54/45/566865445.db2.gz KTPKECMAARSPTH-HNNXBMFYSA-N 0 0 386.249 3.386 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@@H]1OCCc2sccc21 ZINC000490579601 566865984 /nfs/dbraw/zinc/86/59/84/566865984.db2.gz NFMYFHGLRFRYSO-HWPZZCPQSA-N 0 0 382.894 3.254 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)NCc2ccc(S(C)(=O)=O)s2)c1 ZINC000470349470 566866370 /nfs/dbraw/zinc/86/63/70/566866370.db2.gz JGQBHPGLKZNDKK-UHFFFAOYSA-N 0 0 380.491 3.428 20 30 GGEDRN C=CCCn1cc(-c2nc([C@H](OC)c3ccccc3Br)no2)nn1 ZINC000656052166 566866562 /nfs/dbraw/zinc/86/65/62/566866562.db2.gz HUMLLOJYAAJPEL-CQSZACIVSA-N 0 0 390.241 3.403 20 30 GGEDRN C=CCCn1cc(-c2nc([C@@H](OC)c3ccccc3Br)no2)nn1 ZINC000656052164 566866611 /nfs/dbraw/zinc/86/66/11/566866611.db2.gz HUMLLOJYAAJPEL-AWEZNQCLSA-N 0 0 390.241 3.403 20 30 GGEDRN N#Cc1nc(NC[C@@H](CO)Cc2ccccc2Br)ccc1Cl ZINC000428665223 566866946 /nfs/dbraw/zinc/86/69/46/566866946.db2.gz DLXUMKSGVANULC-NSHDSACASA-N 0 0 380.673 3.054 20 30 GGEDRN N#Cc1ccc(NC[C@@H](CO)Cc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000428669543 566866956 /nfs/dbraw/zinc/86/69/56/566866956.db2.gz WGTYWEHSSHMLLI-AWEZNQCLSA-N 0 0 390.237 3.492 20 30 GGEDRN COc1cc(C)c(Br)cc1NS(=O)(=O)CCC(C)(C)C#N ZINC000582488551 566867541 /nfs/dbraw/zinc/86/75/41/566867541.db2.gz JQFMHAUJMCDGMX-UHFFFAOYSA-N 0 0 375.288 3.448 20 30 GGEDRN COc1ccc(Br)c(CN(C)c2ncc([N+](=O)[O-])cc2C#N)c1 ZINC000428678497 566868198 /nfs/dbraw/zinc/86/81/98/566868198.db2.gz HOKRMBFQTSBQHG-UHFFFAOYSA-N 0 0 377.198 3.269 20 30 GGEDRN N#Cc1ccsc1NC(=O)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000582501272 566868569 /nfs/dbraw/zinc/86/85/69/566868569.db2.gz QVMIISGICPURBC-CYBMUJFWSA-N 0 0 390.262 3.124 20 30 GGEDRN N#Cc1ccsc1NC(=O)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000582501274 566869360 /nfs/dbraw/zinc/86/93/60/566869360.db2.gz QVMIISGICPURBC-ZDUSSCGKSA-N 0 0 390.262 3.124 20 30 GGEDRN N#Cc1ccc([N+](=O)[O-])c(NC[C@@H](CO)Cc2cccc(Br)c2)c1 ZINC000428680777 566869618 /nfs/dbraw/zinc/86/96/18/566869618.db2.gz OOGSMXDZAPBNAM-AWEZNQCLSA-N 0 0 390.237 3.492 20 30 GGEDRN C=CCOc1c(Br)cc(C[N@H+](CC(=O)[O-])C2CCC2)cc1OC ZINC000656100040 566869896 /nfs/dbraw/zinc/86/98/96/566869896.db2.gz DHFOZNVVWJJQOB-UHFFFAOYSA-N 0 0 384.270 3.462 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000470431247 566870152 /nfs/dbraw/zinc/87/01/52/566870152.db2.gz VUSMTYHHMBOYAP-QAPCUYQASA-N 0 0 381.314 3.373 20 30 GGEDRN N#Cc1ccsc1NC(=O)CN1CCOc2cc(F)c(Br)cc21 ZINC000563275913 566870363 /nfs/dbraw/zinc/87/03/63/566870363.db2.gz JXGAUZRKKSEYAV-UHFFFAOYSA-N 0 0 396.241 3.359 20 30 GGEDRN N#Cc1ccc(NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)cc1 ZINC000428700104 566870616 /nfs/dbraw/zinc/87/06/16/566870616.db2.gz MVIHLHXMLYZXQB-OAHLLOKOSA-N 0 0 388.265 3.293 20 30 GGEDRN CCc1nc(NC(=O)N2CCN(c3snc(C)c3C#N)CC2)sc1C ZINC000582516737 566870982 /nfs/dbraw/zinc/87/09/82/566870982.db2.gz MRMZOLBDBFGCQB-UHFFFAOYSA-N 0 0 376.511 3.005 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N[C@H]2COc3c2cccc3Cl)c(Cl)c1 ZINC000610870212 566871105 /nfs/dbraw/zinc/87/11/05/566871105.db2.gz CVIFBMFSDSDZCQ-AWEZNQCLSA-N 0 0 376.199 3.053 20 30 GGEDRN Cc1ccc(F)cc1C(=O)C(=O)N[C@H](C#N)c1ccccc1Br ZINC000679800057 566872408 /nfs/dbraw/zinc/87/24/08/566872408.db2.gz NHFWHIBFWCENSJ-OAHLLOKOSA-N 0 0 375.197 3.460 20 30 GGEDRN N#Cc1cccc(NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)c1 ZINC000428704385 566873006 /nfs/dbraw/zinc/87/30/06/566873006.db2.gz XPTLQNNSNQYDKK-HNNXBMFYSA-N 0 0 388.265 3.293 20 30 GGEDRN CC#CCN(C)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000563311357 566874804 /nfs/dbraw/zinc/87/48/04/566874804.db2.gz VTVCFNYVQDGOTQ-UHFFFAOYSA-N 0 0 385.308 3.216 20 30 GGEDRN N#Cc1ccc(CC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)cc1 ZINC000470456336 566875126 /nfs/dbraw/zinc/87/51/26/566875126.db2.gz UVILWKUJHALUQP-KRWDZBQOSA-N 0 0 384.277 3.258 20 30 GGEDRN N#Cc1c(F)cccc1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000470456469 566875264 /nfs/dbraw/zinc/87/52/64/566875264.db2.gz PXVPNYMWBXEKES-CYBMUJFWSA-N 0 0 388.240 3.469 20 30 GGEDRN CCN(Cc1cccc(Br)c1)C(=O)C(=O)Nc1sccc1C#N ZINC000563308367 566875280 /nfs/dbraw/zinc/87/52/80/566875280.db2.gz YVWIDSMPYSBBMY-UHFFFAOYSA-N 0 0 392.278 3.369 20 30 GGEDRN N#Cc1ccccc1OCC(=O)N1CCc2sc(Br)cc2C1 ZINC000610934128 566875650 /nfs/dbraw/zinc/87/56/50/566875650.db2.gz MIAHTAITWUXGFW-UHFFFAOYSA-N 0 0 377.263 3.346 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1CCc2sc(Br)cc2C1 ZINC000610932112 566876102 /nfs/dbraw/zinc/87/61/02/566876102.db2.gz KULCRXSKYYNODW-UHFFFAOYSA-N 0 0 397.319 3.438 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)CCn2cc(Br)cn2)cc1C#N ZINC000610934032 566876113 /nfs/dbraw/zinc/87/61/13/566876113.db2.gz ORLBYRAQGJQFJA-UHFFFAOYSA-N 0 0 377.242 3.333 20 30 GGEDRN N#Cc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)[nH]1 ZINC000470464009 566876681 /nfs/dbraw/zinc/87/66/81/566876681.db2.gz NZBXAEACARKASA-UHFFFAOYSA-N 0 0 388.265 3.470 20 30 GGEDRN CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000610960260 566877469 /nfs/dbraw/zinc/87/74/69/566877469.db2.gz PXTWNQZJQOERHF-HNNXBMFYSA-N 0 0 384.705 3.408 20 30 GGEDRN N#Cc1cccc(CNC(=O)c2cccc(F)c2I)c1 ZINC000610999810 566878561 /nfs/dbraw/zinc/87/85/61/566878561.db2.gz OFNBDRCHETXXKV-UHFFFAOYSA-N 0 0 380.160 3.232 20 30 GGEDRN N#Cc1ccsc1NC(=O)CN1CCc2sc(Br)cc2C1 ZINC000610990109 566879932 /nfs/dbraw/zinc/87/99/32/566879932.db2.gz JEEFFGYPKJOKLL-UHFFFAOYSA-N 0 0 382.308 3.441 20 30 GGEDRN Cc1cc(I)cc(NC(=O)N2CCC(F)(C#N)CC2)c1 ZINC000490809972 566880294 /nfs/dbraw/zinc/88/02/94/566880294.db2.gz FYNWYAQAAKVJMZ-UHFFFAOYSA-N 0 0 387.196 3.459 20 30 GGEDRN Cc1c(I)cn(Cc2ccc3c(c2)CCC3)c(=O)c1C#N ZINC000582635058 566881390 /nfs/dbraw/zinc/88/13/90/566881390.db2.gz JABFLJQQIGUCBT-UHFFFAOYSA-N 0 0 390.224 3.170 20 30 GGEDRN N#Cc1ccc(O[C@H]2CCN(Cc3cc(C#N)ccc3Br)C2)nc1 ZINC000428819775 566882402 /nfs/dbraw/zinc/88/24/02/566882402.db2.gz QSCMXCZQVYSTOB-INIZCTEOSA-N 0 0 383.249 3.241 20 30 GGEDRN Cc1cccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1C#N ZINC000611002960 566882544 /nfs/dbraw/zinc/88/25/44/566882544.db2.gz APVMKXBMRLDHPV-GHMZBOCLSA-N 0 0 386.317 3.228 20 30 GGEDRN N#Cc1ccc(OCC(=O)NC2CC(C(F)(F)F)C2)cc1Br ZINC000451789325 566882794 /nfs/dbraw/zinc/88/27/94/566882794.db2.gz WFWKDGGVQRTDLO-UHFFFAOYSA-N 0 0 377.160 3.157 20 30 GGEDRN CN(C)S(=O)(=O)c1cc(NC(=O)c2ccc(Cl)c(C#N)c2)ccc1Cl ZINC000543440747 566882877 /nfs/dbraw/zinc/88/28/77/566882877.db2.gz KNEXYCGVFLDDRR-UHFFFAOYSA-N 0 0 398.271 3.368 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1ccccc1N1CCCC1 ZINC000611015779 566883642 /nfs/dbraw/zinc/88/36/42/566883642.db2.gz YLYVTEMABNJNQZ-UHFFFAOYSA-N 0 0 375.881 3.290 20 30 GGEDRN N#Cc1cc(F)c(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1Br ZINC000563423632 566884063 /nfs/dbraw/zinc/88/40/63/566884063.db2.gz HHIAJZNSQFTZTK-UHFFFAOYSA-N 0 0 394.204 3.406 20 30 GGEDRN Cc1nc(C2(NS(=O)(=O)c3cccc(Cl)c3C#N)CCCCC2)no1 ZINC000611015342 566884329 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566902774 /nfs/dbraw/zinc/90/27/74/566902774.db2.gz DRHXIMZAULUXMT-MNOVXSKESA-N 0 0 380.691 3.114 20 30 GGEDRN CC[C@H](NC(=O)Nc1cc(F)c(OC(F)F)cc1F)[C@H](O)C(F)(F)F ZINC000491284164 566902815 /nfs/dbraw/zinc/90/28/15/566902815.db2.gz ONJUVQDOZFOMBB-XVKPBYJWSA-N 0 0 378.244 3.390 20 30 GGEDRN CC[C@H](c1ccc(Br)cc1)N1CCN(c2ccc(C#N)nn2)CC1 ZINC000611240786 566903158 /nfs/dbraw/zinc/90/31/58/566903158.db2.gz UJBOVMUAUNMWEP-QGZVFWFLSA-N 0 0 386.297 3.384 20 30 GGEDRN CC(C)C[C@@H](C#N)NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000611247424 566903233 /nfs/dbraw/zinc/90/32/33/566903233.db2.gz RVMUWEOXEYXJEG-VIFPVBQESA-N 0 0 383.670 3.458 20 30 GGEDRN C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000451892881 566903229 /nfs/dbraw/zinc/90/32/29/566903229.db2.gz BLGNNXLWIOJRBW-OLZOCXBDSA-N 0 0 380.691 3.114 20 30 GGEDRN CC[C@@H](c1ccc(Br)cc1)N1CCN(c2ccc(C#N)nn2)CC1 ZINC000611240785 566903885 /nfs/dbraw/zinc/90/38/85/566903885.db2.gz UJBOVMUAUNMWEP-KRWDZBQOSA-N 0 0 386.297 3.384 20 30 GGEDRN 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CC(C)(CC(F)(F)F)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000588131455 567115935 /nfs/dbraw/zinc/11/59/35/567115935.db2.gz RVOIQKXBEWOOCE-UHFFFAOYSA-N 0 0 385.205 3.330 20 30 GGEDRN CC[C@H](CC(F)(F)F)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000588128878 567116075 /nfs/dbraw/zinc/11/60/75/567116075.db2.gz QCTDFHLVOTVMDA-MRVPVSSYSA-N 0 0 385.205 3.330 20 30 GGEDRN N#Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)Cc1cccc(Br)c1 ZINC000588132181 567116088 /nfs/dbraw/zinc/11/60/88/567116088.db2.gz ZOQYFNMUCNLKDE-QGZVFWFLSA-N 0 0 391.290 3.428 20 30 GGEDRN CN(Cc1cccc(F)c1)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000497689234 567117883 /nfs/dbraw/zinc/11/78/83/567117883.db2.gz CWXLXZNPBQFDKU-UHFFFAOYSA-N 0 0 390.212 3.057 20 30 GGEDRN CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000497722854 567119418 /nfs/dbraw/zinc/11/94/18/567119418.db2.gz ZVAZNKDQVLUMJP-UHFFFAOYSA-N 0 0 386.249 3.308 20 30 GGEDRN C=CCOC[C@@H]1NC(=O)N(c2ncc(Cc3ccccc3Cl)s2)C1=O ZINC000566017009 567119613 /nfs/dbraw/zinc/11/96/13/567119613.db2.gz RTCXUCNMVPELGR-AWEZNQCLSA-N 0 0 377.853 3.015 20 30 GGEDRN Cc1ccccc1[C@H]1C(=O)NCCN1Cc1ccc(Br)cc1C#N ZINC000588205220 567120510 /nfs/dbraw/zinc/12/05/10/567120510.db2.gz DCIXXDJYBKNDAS-SFHVURJKSA-N 0 0 384.277 3.302 20 30 GGEDRN O=C(CCn1cc(Br)cn1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000614555924 567120769 /nfs/dbraw/zinc/12/07/69/567120769.db2.gz BHOJSHOJLRARFF-UHFFFAOYSA-N 0 0 395.260 3.469 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCc2ccc(Cl)s2)cc1Br ZINC000497739442 567121004 /nfs/dbraw/zinc/12/10/04/567121004.db2.gz NJLHIJMYZSGTPG-UHFFFAOYSA-N 0 0 398.669 3.291 20 30 GGEDRN CC(=O)c1cc(Br)ccc1OCC(=O)N[C@](C)(C#N)C(C)(C)C ZINC000566032493 567120960 /nfs/dbraw/zinc/12/09/60/567120960.db2.gz ITGJWDOHLBFWMP-QGZVFWFLSA-N 0 0 381.270 3.475 20 30 GGEDRN CC[C@@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000453860204 567121517 /nfs/dbraw/zinc/12/15/17/567121517.db2.gz JZKFXKGZRFUNPD-YPMHNXCESA-N 0 0 378.270 3.202 20 30 GGEDRN N#Cc1ccc(NCC(=O)Nc2cccc(Cl)c2SCC(F)F)nc1 ZINC000497734513 567121780 /nfs/dbraw/zinc/12/17/80/567121780.db2.gz RAQRKHRSKIRVHO-UHFFFAOYSA-N 0 0 382.823 3.436 20 30 GGEDRN N#Cc1ccc(NC(=O)c2coc(C3CCOCC3)n2)cc1Br ZINC000566060842 567122659 /nfs/dbraw/zinc/12/26/59/567122659.db2.gz OYYMQEHMILJEAK-UHFFFAOYSA-N 0 0 376.210 3.455 20 30 GGEDRN CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000497763483 567123180 /nfs/dbraw/zinc/12/31/80/567123180.db2.gz PTZAJHVGBPHELZ-IAQYHMDHSA-N 0 0 378.270 3.344 20 30 GGEDRN O=C(CNc1cccc(C(F)(F)F)c1)NCCOCC(F)(F)C(F)F ZINC000683425686 567124413 /nfs/dbraw/zinc/12/44/13/567124413.db2.gz POSIVLCKRYRZHW-UHFFFAOYSA-N 0 0 376.272 3.151 20 30 GGEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC000566075049 567124349 /nfs/dbraw/zinc/12/43/49/567124349.db2.gz VHOTWOATVBEBJZ-NSHDSACASA-N 0 0 380.290 3.225 20 30 GGEDRN C[S@](=O)c1ccc(CNC(=O)Nc2ccc(C#N)c(Br)c2)cc1 ZINC000588312934 567124975 /nfs/dbraw/zinc/12/49/75/567124975.db2.gz CNTBXJGDAVLDJQ-QHCPKHFHSA-N 0 0 392.278 3.380 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CCc2nnc(C)n2C1 ZINC000522664498 567124996 /nfs/dbraw/zinc/12/49/96/567124996.db2.gz SNOXNUMCUXIJQH-CYBMUJFWSA-N 0 0 379.917 3.262 20 30 GGEDRN C[S@@](=O)c1ccc(CNC(=O)Nc2ccc(C#N)c(Br)c2)cc1 ZINC000588312931 567125303 /nfs/dbraw/zinc/12/53/03/567125303.db2.gz CNTBXJGDAVLDJQ-HSZRJFAPSA-N 0 0 392.278 3.380 20 30 GGEDRN COc1ccc(CN(C)C(=O)Nc2ccc(C#N)c(Br)c2)cn1 ZINC000588314716 567125346 /nfs/dbraw/zinc/12/53/46/567125346.db2.gz LDAPMJFXNWWZHN-UHFFFAOYSA-N 0 0 375.226 3.388 20 30 GGEDRN N#Cc1ccc(NC(=O)N(CCO)CCc2ccccc2)cc1Br ZINC000588312788 567125352 /nfs/dbraw/zinc/12/53/52/567125352.db2.gz HNFPOJSKDUMCKP-UHFFFAOYSA-N 0 0 388.265 3.390 20 30 GGEDRN N#Cc1ccc(NC(=O)N[C@@]2(CO)CCc3ccccc32)cc1Br ZINC000588313411 567125463 /nfs/dbraw/zinc/12/54/63/567125463.db2.gz CWOXYAOTQMDDDQ-GOSISDBHSA-N 0 0 386.249 3.276 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)CC(F)(F)F)cc1 ZINC000588292272 567125470 /nfs/dbraw/zinc/12/54/70/567125470.db2.gz TYHPNWSCKAQTIJ-SNVBAGLBSA-N 0 0 377.388 3.225 20 30 GGEDRN N#Cc1ccc(NC(=O)N[C@@H]2CCOC3(CCOCC3)C2)cc1Br ZINC000588312971 567125563 /nfs/dbraw/zinc/12/55/63/567125563.db2.gz QROSQVJOJGQQFL-CQSZACIVSA-N 0 0 394.269 3.170 20 30 GGEDRN CC(C)[C@H](C#N)N1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000614614831 567126682 /nfs/dbraw/zinc/12/66/82/567126682.db2.gz ZPFDYZPSDWOKDP-ZDUSSCGKSA-N 0 0 377.901 3.098 20 30 GGEDRN COC(=O)c1cc(NC(=O)N2CC[C@](F)(C#N)C2)c(C)cc1Br ZINC000588338577 567126577 /nfs/dbraw/zinc/12/65/77/567126577.db2.gz LFPSSZCHZIZRAO-HNNXBMFYSA-N 0 0 384.205 3.014 20 30 GGEDRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccncc1C#N ZINC000522720381 567127997 /nfs/dbraw/zinc/12/79/97/567127997.db2.gz ZNULKXZMJJPSFA-SECBINFHSA-N 0 0 380.629 3.197 20 30 GGEDRN N#Cc1cnccc1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000522719486 567128891 /nfs/dbraw/zinc/12/88/91/567128891.db2.gz RBVBPLJJTVSCBU-UHFFFAOYSA-N 0 0 386.184 3.293 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ccccc32)cc1Br ZINC000497864432 567128882 /nfs/dbraw/zinc/12/88/82/567128882.db2.gz KHKUXDDYQHEOBL-MRXNPFEDSA-N 0 0 384.233 3.063 20 30 GGEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000453946630 567128981 /nfs/dbraw/zinc/12/89/81/567128981.db2.gz LPTVBKVODXSFSE-YPMHNXCESA-N 0 0 377.655 3.435 20 30 GGEDRN C=CCN=c1[nH]cc(C(=O)NCCc2ccc(F)c(Br)c2)s1 ZINC000474059656 567129390 /nfs/dbraw/zinc/12/93/90/567129390.db2.gz PWNIXCCPVSTCSU-UHFFFAOYSA-N 0 0 384.274 3.037 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)c1cccc(C#N)c1 ZINC000588541190 567129687 /nfs/dbraw/zinc/12/96/87/567129687.db2.gz KGNVIGFZARQCBM-NSHDSACASA-N 0 0 397.232 3.008 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)c1cccc(C#N)c1 ZINC000588541189 567130318 /nfs/dbraw/zinc/13/03/18/567130318.db2.gz KGNVIGFZARQCBM-LLVKDONJSA-N 0 0 397.232 3.008 20 30 GGEDRN N#Cc1cc(Cl)c(C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)c(Cl)c1 ZINC000614666917 567130327 /nfs/dbraw/zinc/13/03/27/567130327.db2.gz SOIKTDNRDRTBMX-VIFPVBQESA-N 0 0 394.180 3.006 20 30 GGEDRN N#Cc1ccc(CNC(=O)NCCCn2cc(Br)cn2)cc1Cl ZINC000588672953 567131396 /nfs/dbraw/zinc/13/13/96/567131396.db2.gz NPPUNJZRCYWZRH-UHFFFAOYSA-N 0 0 396.676 3.060 20 30 GGEDRN C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)c1ccccc1 ZINC000497911309 567132543 /nfs/dbraw/zinc/13/25/43/567132543.db2.gz BKAIFUFMJMQIGU-LBPRGKRZSA-N 0 0 386.249 3.179 20 30 GGEDRN C=CCCCCNC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000474089144 567132564 /nfs/dbraw/zinc/13/25/64/567132564.db2.gz MKAPWJNAPOGJFJ-UHFFFAOYSA-N 0 0 394.313 3.273 20 30 GGEDRN C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)c1ccccc1 ZINC000497911308 567132659 /nfs/dbraw/zinc/13/26/59/567132659.db2.gz BKAIFUFMJMQIGU-GFCCVEGCSA-N 0 0 386.249 3.179 20 30 GGEDRN N#Cc1c(NC(=O)CCc2cc(Br)cs2)nc2n1CCS2 ZINC000522816176 567132971 /nfs/dbraw/zinc/13/29/71/567132971.db2.gz USZMFWHGGIKSBN-UHFFFAOYSA-N 0 0 383.296 3.256 20 30 GGEDRN N#Cc1c(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)nc2n1CCS2 ZINC000522817121 567133083 /nfs/dbraw/zinc/13/30/83/567133083.db2.gz PNKZZVZZYAYROH-VXGBXAGGSA-N 0 0 389.278 3.365 20 30 GGEDRN COC(=O)c1ccc(I)c(Oc2ccc(C#N)c(C)n2)c1 ZINC000432173010 567135218 /nfs/dbraw/zinc/13/52/18/567135218.db2.gz RLKDFMVZJIPMTG-UHFFFAOYSA-N 0 0 394.168 3.445 20 30 GGEDRN Cc1ccc(Cl)c(S(=O)(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000497948045 567135554 /nfs/dbraw/zinc/13/55/54/567135554.db2.gz CJKLXMPTPLEDGA-KRWDZBQOSA-N 0 0 376.865 3.282 20 30 GGEDRN N#Cc1cc(Br)cc(S(=O)(=O)N2CCCc3ccccc3C2)c1 ZINC000497950121 567135662 /nfs/dbraw/zinc/13/56/62/567135662.db2.gz HGYBUGDTSLOXRF-UHFFFAOYSA-N 0 0 391.290 3.458 20 30 GGEDRN COC(=O)c1ccc(I)c(Oc2nc(C)ccc2C#N)c1 ZINC000432161003 567136075 /nfs/dbraw/zinc/13/60/75/567136075.db2.gz GISZOTCLQYPBDY-UHFFFAOYSA-N 0 0 394.168 3.445 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@H](C)COC ZINC000658374416 567136986 /nfs/dbraw/zinc/13/69/86/567136986.db2.gz OOJFOHRJSAGRIG-SNVBAGLBSA-N 0 0 389.677 3.091 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1c(C)cc(C)cc1Br)[C@@H](C)COC ZINC000658374271 567137115 /nfs/dbraw/zinc/13/71/15/567137115.db2.gz LYDOVUHVFBDEAG-ZDUSSCGKSA-N 0 0 383.286 3.054 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)[C@H](C)COC ZINC000658376897 567137204 /nfs/dbraw/zinc/13/72/04/567137204.db2.gz ZPHLNNZSNOLMBI-SNVBAGLBSA-N 0 0 378.778 3.347 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1)[C@@H](C)COC ZINC000658375583 567137372 /nfs/dbraw/zinc/13/73/72/567137372.db2.gz JJWDFRGSRKNIPR-ZDUSSCGKSA-N 0 0 383.286 3.054 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1cccc(Cl)c1Br)[C@@H](C)COC ZINC000658377239 567137428 /nfs/dbraw/zinc/13/74/28/567137428.db2.gz ZBJMUUIYEOJLGD-JTQLQIEISA-N 0 0 389.677 3.091 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1)[C@@H](C)COC ZINC000658375874 567137674 /nfs/dbraw/zinc/13/76/74/567137674.db2.gz LZLXXUXZKCZIGU-NSHDSACASA-N 0 0 379.507 3.168 20 30 GGEDRN C=CCn1c(SCC(=O)N2CCCCN2)nnc1-c1ccc(Cl)cc1 ZINC000614739202 567137866 /nfs/dbraw/zinc/13/78/66/567137866.db2.gz LOADDMRKZZWBPS-UHFFFAOYSA-N 0 0 377.901 3.004 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1c(C)cc(C)cc1Br)[C@H](C)COC ZINC000658374270 567137900 /nfs/dbraw/zinc/13/79/00/567137900.db2.gz LYDOVUHVFBDEAG-CYBMUJFWSA-N 0 0 383.286 3.054 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@H](C)COC ZINC000658373901 567137928 /nfs/dbraw/zinc/13/79/28/567137928.db2.gz HMGIWXNBDCSHDL-SNVBAGLBSA-N 0 0 389.677 3.091 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@@H](C)COC ZINC000658374836 567138075 /nfs/dbraw/zinc/13/80/75/567138075.db2.gz XEXZSLWXVOHJJG-JTQLQIEISA-N 0 0 389.677 3.091 20 30 GGEDRN COC(=O)c1cc(Br)ccc1NC(=O)Cc1c(F)cccc1C#N ZINC000588818087 567139039 /nfs/dbraw/zinc/13/90/39/567139039.db2.gz LPFTXYZXMROYLD-UHFFFAOYSA-N 0 0 391.196 3.428 20 30 GGEDRN Cc1cc(Br)oc1C(=O)Nc1ccccc1-n1ncc(C#N)c1N ZINC000588836467 567139148 /nfs/dbraw/zinc/13/91/48/567139148.db2.gz BUXVMASXJRLUCA-UHFFFAOYSA-N 0 0 386.209 3.242 20 30 GGEDRN CN(CCn1cc(Br)cn1)c1ccc(Br)cc1C#N ZINC000588865230 567140662 /nfs/dbraw/zinc/14/06/62/567140662.db2.gz UQTXDUXUXWGYSH-UHFFFAOYSA-N 0 0 384.075 3.416 20 30 GGEDRN COc1ccc(Cl)cc1CN1CCN(C(=O)c2sccc2C#N)CC1 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C[C@]1(C#N)CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000589258786 567172128 /nfs/dbraw/zinc/17/21/28/567172128.db2.gz LTDBRFFDNRNAEU-CQSZACIVSA-N 0 0 385.205 3.325 20 30 GGEDRN COc1cc(Br)c(Cc2noc(CSCC#N)n2)cc1OC ZINC000546954643 567173122 /nfs/dbraw/zinc/17/31/22/567173122.db2.gz USTHCKUIAHZYEU-UHFFFAOYSA-N 0 0 384.255 3.197 20 30 GGEDRN CCc1nc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)sc1C ZINC000498359920 567173305 /nfs/dbraw/zinc/17/33/05/567173305.db2.gz NHBVKPWGQMTHBD-UHFFFAOYSA-N 0 0 377.491 3.344 20 30 GGEDRN O=C(NCCOC(F)(F)F)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000474445546 567173337 /nfs/dbraw/zinc/17/33/37/567173337.db2.gz ABMAIYYXBWBPIK-UHFFFAOYSA-N 0 0 379.232 3.019 20 30 GGEDRN C[C@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@H](O)C(F)(F)F ZINC000636999577 567173551 /nfs/dbraw/zinc/17/35/51/567173551.db2.gz KPHDBVPIRPQRBN-XROYCOCOSA-N 0 0 376.272 3.430 20 30 GGEDRN C[C@]1(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)OCCc2sccc21 ZINC000589295570 567173688 /nfs/dbraw/zinc/17/36/88/567173688.db2.gz 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CC[C@](C)(NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(C)cs1 ZINC000566710971 567183255 /nfs/dbraw/zinc/18/32/55/567183255.db2.gz AYWJDCLDBUUTLY-KRWDZBQOSA-N 0 0 376.869 3.357 20 30 GGEDRN CC(=O)N[C@H](CC(=O)N(CC#N)C1CCCC1)c1ccc(Br)cc1 ZINC000524116912 567183509 /nfs/dbraw/zinc/18/35/09/567183509.db2.gz PCAUFTVYXIERDC-QGZVFWFLSA-N 0 0 392.297 3.311 20 30 GGEDRN C=CCCOCC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000684159523 567184645 /nfs/dbraw/zinc/18/46/45/567184645.db2.gz SCQPUEVITOSNIH-UHFFFAOYSA-N 0 0 381.270 3.216 20 30 GGEDRN N#Cc1ccc(N2CCC(N=c3[nH]oc4ccc(Br)cc43)CC2)nc1 ZINC000589571667 567184953 /nfs/dbraw/zinc/18/49/53/567184953.db2.gz DUVLCWDRLREQSS-UHFFFAOYSA-N 0 0 398.264 3.360 20 30 GGEDRN COCC1(C#N)CCN(C(=O)Nc2cc(Br)cc(OC)c2)CC1 ZINC000498549891 567184920 /nfs/dbraw/zinc/18/49/20/567184920.db2.gz DYBDIRJHOVETAB-UHFFFAOYSA-N 0 0 382.258 3.242 20 30 GGEDRN N#Cc1nn(C[C@@H](O)COc2cc(F)cc(Br)c2)c2ccccc12 ZINC000432738104 567185086 /nfs/dbraw/zinc/18/50/86/567185086.db2.gz 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COCCc1ccccc1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432776296 567188304 /nfs/dbraw/zinc/18/83/04/567188304.db2.gz MPLGVCDSFZCJKR-UHFFFAOYSA-N 0 0 395.278 3.310 20 30 GGEDRN C=C[C@H](C)NC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000474667320 567188667 /nfs/dbraw/zinc/18/86/67/567188667.db2.gz JCVLHHSPGUDGEH-QPUJVOFHSA-N 0 0 381.192 3.375 20 30 GGEDRN N#Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)c(F)c1 ZINC000432775478 567188911 /nfs/dbraw/zinc/18/89/11/567188911.db2.gz UUMWYUWODOWWRK-UHFFFAOYSA-N 0 0 380.198 3.132 20 30 GGEDRN O=C([C@H]1CCN(CC(F)(F)F)C1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000684212500 567188921 /nfs/dbraw/zinc/18/89/21/567188921.db2.gz TXRFXJMKWPZNLN-XHNCKOQMSA-N 0 0 386.258 3.070 20 30 GGEDRN C=CCCCCCN(C)C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000566768239 567189143 /nfs/dbraw/zinc/18/91/43/567189143.db2.gz CZWVGVJUKKVDTG-UHFFFAOYSA-N 0 0 393.336 3.477 20 30 GGEDRN Cc1cc(C(=O)N2CCN(c3cccc(Br)c3C#N)CC2)c(C)o1 ZINC000566769943 567189190 /nfs/dbraw/zinc/18/91/90/567189190.db2.gz BIYHMLPAZFJYLF-UHFFFAOYSA-N 0 0 388.265 3.493 20 30 GGEDRN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432774832 567189221 /nfs/dbraw/zinc/18/92/21/567189221.db2.gz FMJHYPVVUAQORG-LLVKDONJSA-N 0 0 377.263 3.461 20 30 GGEDRN COCc1ccccc1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432776468 567189334 /nfs/dbraw/zinc/18/93/34/567189334.db2.gz OHDRVLSLHNDDMD-UHFFFAOYSA-N 0 0 381.251 3.268 20 30 GGEDRN N#C[C@@]1(F)CCN(c2nc(C(F)(F)F)ccc2I)C1 ZINC000615530567 567189304 /nfs/dbraw/zinc/18/93/04/567189304.db2.gz IXPXQTBKDJRNDL-JTQLQIEISA-N 0 0 385.102 3.147 20 30 GGEDRN N#C[C@@]1(F)CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000615538629 567189320 /nfs/dbraw/zinc/18/93/20/567189320.db2.gz AIALSGGTSNABLI-HNNXBMFYSA-N 0 0 378.205 3.104 20 30 GGEDRN Cc1cc(NC(=O)N2CC[C@@](F)(C#N)C2)nn1-c1ccc(Cl)cc1Cl ZINC000615541047 567189331 /nfs/dbraw/zinc/18/93/31/567189331.db2.gz FVILBWCRKSAJKJ-MRXNPFEDSA-N 0 0 382.226 3.379 20 30 GGEDRN N#CCCCNC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000589646680 567189570 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/nfs/dbraw/zinc/22/27/89/567222789.db2.gz OPESJKRHUMUYRJ-ZBFHGGJFSA-N 0 0 390.281 3.344 20 30 GGEDRN N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)s1 ZINC000475066833 567223330 /nfs/dbraw/zinc/22/33/30/567223330.db2.gz IFDQTUZJPZDEKR-LBPRGKRZSA-N 0 0 380.256 3.462 20 30 GGEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc(F)c1I ZINC000455021352 567223601 /nfs/dbraw/zinc/22/36/01/567223601.db2.gz JDDRPXOBMNCVFF-PWSUYJOCSA-N 0 0 390.196 3.285 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C1CCCCC1 ZINC000499099143 567223823 /nfs/dbraw/zinc/22/38/23/567223823.db2.gz MZPLCYGXCFVAKY-LLVKDONJSA-N 0 0 378.270 3.344 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C1CCCCC1 ZINC000499099144 567224172 /nfs/dbraw/zinc/22/41/72/567224172.db2.gz MZPLCYGXCFVAKY-NSHDSACASA-N 0 0 378.270 3.344 20 30 GGEDRN C[C@@H](NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)c1ccc(C#N)cc1 ZINC000590420660 567225382 /nfs/dbraw/zinc/22/53/82/567225382.db2.gz NRGXQTALZRCOGA-SECBINFHSA-N 0 0 385.221 3.394 20 30 GGEDRN N#CC1CN(C(=O)c2ccccc2NC(=O)c2cccc(Br)c2)C1 ZINC000590482153 567227476 /nfs/dbraw/zinc/22/74/76/567227476.db2.gz BQSDAAIFZNHMJD-UHFFFAOYSA-N 0 0 384.233 3.297 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)Nc1c(F)cc(C)cc1I ZINC000455045511 567227530 /nfs/dbraw/zinc/22/75/30/567227530.db2.gz AJJKPRYQKLCKKQ-SNVBAGLBSA-N 0 0 392.212 3.187 20 30 GGEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000567217419 567228056 /nfs/dbraw/zinc/22/80/56/567228056.db2.gz XSLZBCIDVLXLGU-ZBFHGGJFSA-N 0 0 376.254 3.098 20 30 GGEDRN C[C@H](CCc1ccc(I)cc1)NC(=O)N(C)C[C@H](C)C#N ZINC000475155880 567228944 /nfs/dbraw/zinc/22/89/44/567228944.db2.gz VBVNOALXGVKCML-CHWSQXEVSA-N 0 0 399.276 3.413 20 30 GGEDRN C=CCCN(C)C(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000475155084 567229328 /nfs/dbraw/zinc/22/93/28/567229328.db2.gz JZIZPFWMGHUQGM-UHFFFAOYSA-N 0 0 395.175 3.321 20 30 GGEDRN N#CC1CN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)C1 ZINC000590492581 567229282 /nfs/dbraw/zinc/22/92/82/567229282.db2.gz ZOVLPDNYFIXOSO-UHFFFAOYSA-N 0 0 376.185 3.371 20 30 GGEDRN Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)c1cccc(C#N)n1 ZINC000590507138 567229347 /nfs/dbraw/zinc/22/93/47/567229347.db2.gz MERBXXFJYKKZKE-UHFFFAOYSA-N 0 0 382.221 3.369 20 30 GGEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(OC)c(Br)c(OC)c1 ZINC000455069874 567230335 /nfs/dbraw/zinc/23/03/35/567230335.db2.gz SGHVEOZLZIQKCL-NEPJUHHUSA-N 0 0 385.258 3.321 20 30 GGEDRN N#Cc1ccc(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000590532324 567230442 /nfs/dbraw/zinc/23/04/42/567230442.db2.gz CTEJCCLFRRUOQF-UHFFFAOYSA-N 0 0 397.283 3.459 20 30 GGEDRN N#Cc1cc(Br)ccc1CN1CCc2c(nnn2-c2ccccc2)C1 ZINC000433202655 567230908 /nfs/dbraw/zinc/23/09/08/567230908.db2.gz SHLJJPKALWXYDG-UHFFFAOYSA-N 0 0 394.276 3.460 20 30 GGEDRN C[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000616193347 567231563 /nfs/dbraw/zinc/23/15/63/567231563.db2.gz ZVVRSYRDBKBXSV-SECBINFHSA-N 0 0 398.271 3.003 20 30 GGEDRN CCOC(=O)C1(CC(=O)N[C@@H](C#N)c2ccccc2Br)CCC1 ZINC000616169780 567231878 /nfs/dbraw/zinc/23/18/78/567231878.db2.gz CCHCZJYIBPSTKX-AWEZNQCLSA-N 0 0 379.254 3.253 20 30 GGEDRN COc1ccc(OC)c(CN2CCN(c3nc(C#N)c(Cl)s3)CC2)c1 ZINC000590570573 567232116 /nfs/dbraw/zinc/23/21/16/567232116.db2.gz XFAOXZYEESBVAF-UHFFFAOYSA-N 0 0 378.885 3.008 20 30 GGEDRN N#Cc1cc(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)ccc1F ZINC000590556079 567232192 /nfs/dbraw/zinc/23/21/92/567232192.db2.gz FDOKZQFFCXBPKZ-AWEZNQCLSA-N 0 0 390.212 3.148 20 30 GGEDRN N#CCc1ccccc1NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000590542096 567232332 /nfs/dbraw/zinc/23/23/32/567232332.db2.gz ZUZJHBFBAHQDIX-UHFFFAOYSA-N 0 0 386.205 3.098 20 30 GGEDRN N#Cc1nc(NC[C@H](O)COc2cccc(Cl)c2Cl)sc1Cl ZINC000590574475 567233710 /nfs/dbraw/zinc/23/37/10/567233710.db2.gz FFKSBCJLJNDGLO-ZETCQYMHSA-N 0 0 378.668 3.249 20 30 GGEDRN CCC[C@H](C)NS(=O)(=O)Cc1cccc(NCc2nc(C#N)cs2)c1 ZINC000567279070 567233693 /nfs/dbraw/zinc/23/36/93/567233693.db2.gz URHSGFHFBIGDPK-ZDUSSCGKSA-N 0 0 378.523 3.235 20 30 GGEDRN Cc1cc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)cc2n[nH]cc21 ZINC000499268131 567233975 /nfs/dbraw/zinc/23/39/75/567233975.db2.gz WMGXRQTXYNUTKP-UHFFFAOYSA-N 0 0 391.250 3.306 20 30 GGEDRN Cc1nc(OCC(=O)N(C)Cc2cccs2)c(Br)cc1C#N ZINC000590588291 567234190 /nfs/dbraw/zinc/23/41/90/567234190.db2.gz WDYLMJSXAJTJLU-UHFFFAOYSA-N 0 0 380.267 3.123 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000499250715 567234251 /nfs/dbraw/zinc/23/42/51/567234251.db2.gz COPRTKHHXRIDHA-ZDUSSCGKSA-N 0 0 384.929 3.378 20 30 GGEDRN CCC(CC)C(=O)N1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000590621479 567235095 /nfs/dbraw/zinc/23/50/95/567235095.db2.gz ANTWYLVTJDKGQQ-UHFFFAOYSA-N 0 0 392.297 3.041 20 30 GGEDRN COc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000616252579 567235573 /nfs/dbraw/zinc/23/55/73/567235573.db2.gz BDFLZJGMNVQLPJ-UHFFFAOYSA-N 0 0 391.758 3.435 20 30 GGEDRN Cc1cc2c(cc1Br)N(S(=O)(=O)CC1(CC#N)CC1)C[C@@H](C)O2 ZINC000590598268 567235773 /nfs/dbraw/zinc/23/57/73/567235773.db2.gz WCKXGGHVVFNBDM-GFCCVEGCSA-N 0 0 399.310 3.369 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000684782612 567237235 /nfs/dbraw/zinc/23/72/35/567237235.db2.gz UYKHTGKZGIAONO-ABAIWWIYSA-N 0 0 376.254 3.103 20 30 GGEDRN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CCC[C@](C)(C#N)C1 ZINC000590649036 567237315 /nfs/dbraw/zinc/23/73/15/567237315.db2.gz NKPPNROFQMMTIW-FZKQIMNGSA-N 0 0 394.313 3.088 20 30 GGEDRN N#Cc1ccc(OCC(=O)N2CC[C@@H](c3ccco3)C2)cc1Br ZINC000590667870 567237796 /nfs/dbraw/zinc/23/77/96/567237796.db2.gz JYWXUHDJXIOGAT-CYBMUJFWSA-N 0 0 375.222 3.309 20 30 GGEDRN CC(C)c1cc(CNC(=O)COc2cccc(Br)c2C#N)on1 ZINC000590667289 567238194 /nfs/dbraw/zinc/23/81/94/567238194.db2.gz WBRLWJBUBWRWMK-UHFFFAOYSA-N 0 0 378.226 3.127 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000684782623 567238613 /nfs/dbraw/zinc/23/86/13/567238613.db2.gz UYKHTGKZGIAONO-XHDPSFHLSA-N 0 0 376.254 3.103 20 30 GGEDRN COc1cc(F)ccc1S(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000659921171 567238660 /nfs/dbraw/zinc/23/86/60/567238660.db2.gz OPUCVJLWANFELO-IUCAKERBSA-N 0 0 395.296 3.196 20 30 GGEDRN COC(=O)CC1(NC(=O)c2cccc(C#N)c2Br)CCCCC1 ZINC000590675816 567238684 /nfs/dbraw/zinc/23/86/84/567238684.db2.gz IXLVQIPYCDTTON-UHFFFAOYSA-N 0 0 379.254 3.317 20 30 GGEDRN C[C@H]1CN(C(=O)c2ccc(Br)cc2C#N)C[C@H](C(F)(F)F)O1 ZINC000590675689 567238753 /nfs/dbraw/zinc/23/87/53/567238753.db2.gz SAQIAVWPMSAUKR-QPUJVOFHSA-N 0 0 377.160 3.113 20 30 GGEDRN CN(C[C@H](O)COc1ccc(Cl)cc1Br)CC(C)(C)C#N ZINC000433301717 567240033 /nfs/dbraw/zinc/24/00/33/567240033.db2.gz HGHURSOICJUUQA-LBPRGKRZSA-N 0 0 375.694 3.324 20 30 GGEDRN CS(=O)(=O)c1ccc(C(=O)N2CCC(CCC#N)CC2)cc1Br ZINC000567354430 567240097 /nfs/dbraw/zinc/24/00/97/567240097.db2.gz DKVTZEPRDTYDGQ-UHFFFAOYSA-N 0 0 399.310 3.009 20 30 GGEDRN COCCN(CCC#N)c1nc(C(F)(F)F)ccc1I ZINC000590694009 567240395 /nfs/dbraw/zinc/24/03/95/567240395.db2.gz PVLATTNLALJZFU-UHFFFAOYSA-N 0 0 399.154 3.071 20 30 GGEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2cccc(Br)c2)CC1 ZINC000499361266 567241106 /nfs/dbraw/zinc/24/11/06/567241106.db2.gz JIRBRIUXXLVYKD-MRXNPFEDSA-N 0 0 396.354 3.234 20 30 GGEDRN C[C@]1(CNC(=O)COc2cccc(Br)c2C#N)CCO[C@@H]1C1CC1 ZINC000590712215 567241559 /nfs/dbraw/zinc/24/15/59/567241559.db2.gz GGQQJRNDUTUDDC-QZTJIDSGSA-N 0 0 393.281 3.021 20 30 GGEDRN N#Cc1c(Br)cccc1OCC(=O)N1CCOCC2(CCCC2)C1 ZINC000590718087 567241941 /nfs/dbraw/zinc/24/19/41/567241941.db2.gz BIXNKEIJFLKQTN-UHFFFAOYSA-N 0 0 393.281 3.119 20 30 GGEDRN COC[C@H](NS(=O)(=O)CC1(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000590747557 567242672 /nfs/dbraw/zinc/24/26/72/567242672.db2.gz YUOUPBQGCJRGQY-AWEZNQCLSA-N 0 0 376.400 3.006 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CC[C@@H](c3ccco3)C2)cc1Br ZINC000590746762 567242978 /nfs/dbraw/zinc/24/29/78/567242978.db2.gz SPGKVUHXNCJKFL-SNVBAGLBSA-N 0 0 399.241 3.231 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)NCCC2CSC2)nnc1-c1ccco1 ZINC000616399267 567243318 /nfs/dbraw/zinc/24/33/18/567243318.db2.gz BEILFFMSBQJVKT-UHFFFAOYSA-N 0 0 378.523 3.076 20 30 GGEDRN N#Cc1ccc(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)nc1 ZINC000547742361 567243565 /nfs/dbraw/zinc/24/35/65/567243565.db2.gz ZLGFCYQGHHTHSC-INIZCTEOSA-N 0 0 385.265 3.432 20 30 GGEDRN COC[C@@H](CNS(=O)(=O)c1cccc(CC#N)c1)c1ccc(Cl)cc1 ZINC000590761707 567244395 /nfs/dbraw/zinc/24/43/95/567244395.db2.gz SGAKVNNXEGOPQQ-MRXNPFEDSA-N 0 0 378.881 3.115 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CC[C@@H](CC3CC3)C2)cc1Br ZINC000590757956 567244523 /nfs/dbraw/zinc/24/45/23/567244523.db2.gz FVOUDTXLWOKOTB-NSHDSACASA-N 0 0 387.274 3.271 20 30 GGEDRN CCCC(=O)N1CCC(C(=O)N[C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000499408992 567245038 /nfs/dbraw/zinc/24/50/38/567245038.db2.gz RVPKWWHGFSDZSZ-MRXNPFEDSA-N 0 0 392.297 3.169 20 30 GGEDRN COC[C@H](CNS(=O)(=O)c1cccc(CC#N)c1)c1ccc(Cl)cc1 ZINC000590761706 567245355 /nfs/dbraw/zinc/24/53/55/567245355.db2.gz SGAKVNNXEGOPQQ-INIZCTEOSA-N 0 0 378.881 3.115 20 30 GGEDRN CC1(C)CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCS1 ZINC000433367533 567245449 /nfs/dbraw/zinc/24/54/49/567245449.db2.gz VODSHOYVLVIOBD-UHFFFAOYSA-N 0 0 378.441 3.483 20 30 GGEDRN Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@](C)(C#N)C1 ZINC000616430879 567246168 /nfs/dbraw/zinc/24/61/68/567246168.db2.gz WERZLXRYCZKHBZ-AWEZNQCLSA-N 0 0 375.263 3.211 20 30 GGEDRN N#Cc1cccc(C(=O)N2CC3(CCOCC3)[C@H]2C2CC2)c1Br ZINC000590766507 567246274 /nfs/dbraw/zinc/24/62/74/567246274.db2.gz VHYAAJKNSOTHFS-MRXNPFEDSA-N 0 0 375.266 3.352 20 30 GGEDRN CC1(C)CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000499415475 567246364 /nfs/dbraw/zinc/24/63/64/567246364.db2.gz CKZCZGDVLDBUSX-AWEZNQCLSA-N 0 0 378.270 3.344 20 30 GGEDRN COc1ccc(Br)cc1CNC(=O)NCCc1cccc(C#N)c1 ZINC000499416253 567246447 /nfs/dbraw/zinc/24/64/47/567246447.db2.gz UANBAGMSACXQHV-UHFFFAOYSA-N 0 0 388.265 3.371 20 30 GGEDRN CN(C)[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(Cl)cc1 ZINC000547794666 567247194 /nfs/dbraw/zinc/24/71/94/567247194.db2.gz AKQMYXSAZVMURN-MRXNPFEDSA-N 0 0 398.315 3.446 20 30 GGEDRN 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393.253 3.425 20 30 GGEDRN C=CCCC(C)(C)NS(=O)(=O)c1cc(OC)c(OC)cc1Br ZINC000660143451 567270098 /nfs/dbraw/zinc/27/00/98/567270098.db2.gz RLHDPXUGGLSCEN-UHFFFAOYSA-N 0 0 392.315 3.489 20 30 GGEDRN N#Cc1ccc(C(=O)N2CCOc3ncc(Br)cc32)cc1Cl ZINC000547961750 567270322 /nfs/dbraw/zinc/27/03/22/567270322.db2.gz XOXWBXJHMSKWDD-UHFFFAOYSA-N 0 0 378.613 3.408 20 30 GGEDRN COc1cc(NC[C@@H](O)COc2ccc(CC#N)cc2)ccc1Br ZINC000567702800 567270581 /nfs/dbraw/zinc/27/05/81/567270581.db2.gz LFPZLNNWPHPAIU-OAHLLOKOSA-N 0 0 391.265 3.376 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1NC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000455405582 567270915 /nfs/dbraw/zinc/27/09/15/567270915.db2.gz HHTFZMVYJPQRBX-CVEARBPZSA-N 0 0 379.298 3.466 20 30 GGEDRN CC(C)(CCC#N)CNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000567719158 567271171 /nfs/dbraw/zinc/27/11/71/567271171.db2.gz DCEGAXLLMNRXOA-UHFFFAOYSA-N 0 0 395.301 3.407 20 30 GGEDRN C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1nc2n(c1C#N)CCS2 ZINC000499744364 567271227 /nfs/dbraw/zinc/27/12/27/567271227.db2.gz 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CC(C)C[C@@](C)(C#N)NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000503656510 567499727 /nfs/dbraw/zinc/49/97/27/567499727.db2.gz VWYUMEQCHGUOAA-UGSOOPFHSA-N 0 0 392.297 3.247 20 30 GGEDRN COC(=O)[C@@H](NC(=O)c1cc(C#N)cs1)c1ccc(Br)cc1 ZINC000437561007 567500178 /nfs/dbraw/zinc/50/01/78/567500178.db2.gz UDXVPBORNLMXQV-ZDUSSCGKSA-N 0 0 379.235 3.026 20 30 GGEDRN CN1CCN(c2ccc(Br)cc2NCCCC(C)(C)C#N)CC1=O ZINC000594716360 567501452 /nfs/dbraw/zinc/50/14/52/567501452.db2.gz MALXJZOSFFIHAS-UHFFFAOYSA-N 0 0 393.329 3.469 20 30 GGEDRN C=CCN(CCC#N)C(=O)C(=O)Nc1c(C)cc(Br)cc1Cl ZINC000551380817 567502033 /nfs/dbraw/zinc/50/20/33/567502033.db2.gz JPRWCLSGWZVTTB-UHFFFAOYSA-N 0 0 384.661 3.278 20 30 GGEDRN N#Cc1ccsc1C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000551386329 567501802 /nfs/dbraw/zinc/50/18/02/567501802.db2.gz ZHWCZXUPNAWGDA-UHFFFAOYSA-N 0 0 376.279 3.345 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCOc1ccc(Br)cc1 ZINC000437630613 567502182 /nfs/dbraw/zinc/50/21/82/567502182.db2.gz 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567725056 /nfs/dbraw/zinc/72/50/56/567725056.db2.gz YKNGCQLBLDHNGB-UHFFFAOYSA-N 0 0 378.837 3.416 20 30 GGEDRN CSC[C@@](C)(C#N)NS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000508072480 567725110 /nfs/dbraw/zinc/72/51/10/567725110.db2.gz GWNLWYWGTYFAHA-MRXNPFEDSA-N 0 0 388.942 3.442 20 30 GGEDRN N#CC[C@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000597911105 567725068 /nfs/dbraw/zinc/72/50/68/567725068.db2.gz HBIINFFCQIAVST-OCCSQVGLSA-N 0 0 380.275 3.499 20 30 GGEDRN N#CC[C@H]1CCCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)C1 ZINC000597914507 567725117 /nfs/dbraw/zinc/72/51/17/567725117.db2.gz GPZJEOMSNKKKRC-CYBMUJFWSA-N 0 0 375.885 3.165 20 30 GGEDRN N#CC[C@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000597912313 567725134 /nfs/dbraw/zinc/72/51/34/567725134.db2.gz UURYNDSYDCEZBN-OCCSQVGLSA-N 0 0 380.275 3.499 20 30 GGEDRN CSCC[C@@](C)(C#N)NS(=O)(=O)c1cc(C)c(Br)cc1C ZINC000508072811 567725221 /nfs/dbraw/zinc/72/52/21/567725221.db2.gz HZMZTVRDHCHRDK-AWEZNQCLSA-N 0 0 391.356 3.380 20 30 GGEDRN CSCC[C@](C)(C#N)NS(=O)(=O)c1ccc(Br)cc1C ZINC000508067188 567725607 /nfs/dbraw/zinc/72/56/07/567725607.db2.gz HZZIGPRLNJVUDI-CYBMUJFWSA-N 0 0 377.329 3.071 20 30 GGEDRN Cc1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)cc2C#N)N(C)C)cc1 ZINC000443039348 567726301 /nfs/dbraw/zinc/72/63/01/567726301.db2.gz SDOJAEFXJGWYFP-KRWDZBQOSA-N 0 0 377.897 3.101 20 30 GGEDRN N#Cc1sccc1N1CCN(C(=O)c2cscc2Br)CC1 ZINC000597939523 567726933 /nfs/dbraw/zinc/72/69/33/567726933.db2.gz SYAYNHYQALYZDH-UHFFFAOYSA-N 0 0 382.308 3.406 20 30 GGEDRN N#Cc1sccc1N1CCN(C(=O)c2ccc(Br)cc2O)CC1 ZINC000597935792 567727043 /nfs/dbraw/zinc/72/70/43/567727043.db2.gz GNZDVYXVTGEJKC-UHFFFAOYSA-N 0 0 392.278 3.050 20 30 GGEDRN N#Cc1sccc1N1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000597937091 567727369 /nfs/dbraw/zinc/72/73/69/567727369.db2.gz RABQHQLQHDBIMD-UHFFFAOYSA-N 0 0 376.825 3.144 20 30 GGEDRN N#Cc1sccc1N1CCN(C(=O)[C@H]2SCCc3sccc32)CC1 ZINC000597938008 567727517 /nfs/dbraw/zinc/72/75/17/567727517.db2.gz XUEYJMFAVRXGPU-INIZCTEOSA-N 0 0 375.544 3.360 20 30 GGEDRN N#Cc1sccc1N1CCN(C(=O)COCc2cccc(Cl)c2)CC1 ZINC000597940546 567727571 /nfs/dbraw/zinc/72/75/71/567727571.db2.gz AXJSKPNLHQVBJZ-UHFFFAOYSA-N 0 0 375.881 3.139 20 30 GGEDRN N#Cc1sccc1N1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000597934767 567727612 /nfs/dbraw/zinc/72/76/12/567727612.db2.gz OBNRNFDTUNVDOB-UHFFFAOYSA-N 0 0 394.269 3.484 20 30 GGEDRN C=CCOc1cccc(NC(=O)NCc2cc(Br)cnc2N)c1 ZINC000554435094 567728213 /nfs/dbraw/zinc/72/82/13/567728213.db2.gz RWIGMGVVCCOUPQ-UHFFFAOYSA-N 0 0 377.242 3.143 20 30 GGEDRN C=CCN(C(=O)c1scc(C)c1I)[C@H](C)COC ZINC000597954976 567728381 /nfs/dbraw/zinc/72/83/81/567728381.db2.gz PMJQGKSKSRMVOB-SNVBAGLBSA-N 0 0 379.263 3.324 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000554436104 567728611 /nfs/dbraw/zinc/72/86/11/567728611.db2.gz YJXQLZXWVAJQFC-AWEZNQCLSA-N 0 0 393.325 3.458 20 30 GGEDRN C=CCN(C(=O)c1ccc(I)c(F)c1)[C@H](C)COC ZINC000597950222 567728801 /nfs/dbraw/zinc/72/88/01/567728801.db2.gz 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CO[C@H](C)c1noc(Cn2c(-c3ccc(Cl)s3)ccc(C#N)c2=O)n1 ZINC000573682454 567730332 /nfs/dbraw/zinc/73/03/32/567730332.db2.gz ZRMIGSHQPCVITB-SECBINFHSA-N 0 0 376.825 3.241 20 30 GGEDRN C=CCCSCCNC(=O)c1sc2nc(COC)nc(OC)c2c1C ZINC000597970128 567730327 /nfs/dbraw/zinc/73/03/27/567730327.db2.gz CCXDFWULEWRLHM-UHFFFAOYSA-N 0 0 381.523 3.194 20 30 GGEDRN C=CCCSCCNC(=O)CSc1nncn1-c1ccc(C)c(C)c1 ZINC000597970995 567730357 /nfs/dbraw/zinc/73/03/57/567730357.db2.gz PGIXFYVFCIXQJV-UHFFFAOYSA-N 0 0 376.551 3.402 20 30 GGEDRN CSCC[C@@](C)(C#N)NS(=O)(=O)c1cccc(C)c1Br ZINC000508105427 567730627 /nfs/dbraw/zinc/73/06/27/567730627.db2.gz YABSLOJACCTJQC-ZDUSSCGKSA-N 0 0 377.329 3.071 20 30 GGEDRN Cc1cccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)N(C)C)c1C#N ZINC000443098547 567731400 /nfs/dbraw/zinc/73/14/00/567731400.db2.gz YKJKKOILDQGSFL-QGZVFWFLSA-N 0 0 377.897 3.101 20 30 GGEDRN OC[C@@H](O)CN(CCC(F)(F)F)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000573711018 567731545 /nfs/dbraw/zinc/73/15/45/567731545.db2.gz 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C[C@]1(CNS(=O)(=O)c2cccc(Cl)c2C#N)OCCc2sccc21 ZINC000573766598 567735496 /nfs/dbraw/zinc/73/54/96/567735496.db2.gz DQTDQDMKRPZJMY-MRXNPFEDSA-N 0 0 382.894 3.040 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCc2cc3ccccc3o2)cc1Br ZINC000554563929 567735548 /nfs/dbraw/zinc/73/55/48/567735548.db2.gz VPMQIJPULNKIGJ-UHFFFAOYSA-N 0 0 398.216 3.322 20 30 GGEDRN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000573793201 567736150 /nfs/dbraw/zinc/73/61/50/567736150.db2.gz JDMDUGLPQXLVMU-DZGCQCFKSA-N 0 0 376.298 3.189 20 30 GGEDRN Cc1c(Br)cc(C#N)c(=O)n1CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000461432649 567737094 /nfs/dbraw/zinc/73/70/94/567737094.db2.gz OYYUUFFPMCUNQU-GFCCVEGCSA-N 0 0 388.265 3.011 20 30 GGEDRN CN(C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1ccc(C#N)cc1 ZINC000461524993 567739042 /nfs/dbraw/zinc/73/90/42/567739042.db2.gz XWMOBEBSMGMONN-CQSZACIVSA-N 0 0 398.260 3.337 20 30 GGEDRN CN(C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccc(C#N)cc1 ZINC000461522289 567739217 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Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N([C@@H](C)C#N)C1CC1 ZINC000598133953 567740630 /nfs/dbraw/zinc/74/06/30/567740630.db2.gz CTGYGIMAZWXBJL-QMMMGPOBSA-N 0 0 399.188 3.025 20 30 GGEDRN C[C@H](C#N)N(C(=O)CCC(=O)c1ccc(I)cc1)C1CC1 ZINC000598123624 567740904 /nfs/dbraw/zinc/74/09/04/567740904.db2.gz QFQRFAWAJCEOKM-LLVKDONJSA-N 0 0 396.228 3.157 20 30 GGEDRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N([C@H](C)C#N)C1CC1 ZINC000598128661 567741078 /nfs/dbraw/zinc/74/10/78/567741078.db2.gz OFYYMCSTXMZKCI-KGLIPLIRSA-N 0 0 380.535 3.254 20 30 GGEDRN C[C@H](C#N)N(C(=O)CSCC(=O)Nc1cccc(Br)c1)C1CC1 ZINC000598137381 567741096 /nfs/dbraw/zinc/74/10/96/567741096.db2.gz PIHLAQQNJRKKKF-LLVKDONJSA-N 0 0 396.310 3.024 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000532881483 567741193 /nfs/dbraw/zinc/74/11/93/567741193.db2.gz AFANBQDMAMOVQS-NVXWUHKLSA-N 0 0 398.260 3.240 20 30 GGEDRN N#Cc1ccc(Br)c(CSCc2nnnn2C2CCOCC2)c1 ZINC000573876992 567741102 /nfs/dbraw/zinc/74/11/02/567741102.db2.gz MTBUFUJGHKXMOF-UHFFFAOYSA-N 0 0 394.298 3.092 20 30 GGEDRN CC1(c2ccc(Br)cc2)CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000443225405 567741214 /nfs/dbraw/zinc/74/12/14/567741214.db2.gz KRMNFHOTDSMSBG-UHFFFAOYSA-N 0 0 397.338 3.436 20 30 GGEDRN N#Cc1cccc(C2(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000573867608 567741577 /nfs/dbraw/zinc/74/15/77/567741577.db2.gz DOWIMHNLQOWKFY-UHFFFAOYSA-N 0 0 377.809 3.087 20 30 GGEDRN C=CCOc1ccc(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)cc1 ZINC000461612086 567741719 /nfs/dbraw/zinc/74/17/19/567741719.db2.gz GKUHATKYBZZJBU-LRDDRELGSA-N 0 0 377.487 3.350 20 30 GGEDRN N#CCc1cccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)c1 ZINC000598151347 567741962 /nfs/dbraw/zinc/74/19/62/567741962.db2.gz WXFQQAACCDKHEQ-UHFFFAOYSA-N 0 0 384.277 3.478 20 30 GGEDRN COc1ccccc1[C@]1(C)C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443242081 567742589 /nfs/dbraw/zinc/74/25/89/567742589.db2.gz BNRQOXNZNMKGFB-ROUUACIJSA-N 0 0 376.865 3.229 20 30 GGEDRN C=CCC1(NC(=O)c2cc(F)ccc2I)CCOCC1 ZINC000598177233 567742691 /nfs/dbraw/zinc/74/26/91/567742691.db2.gz HMQCCCFDZPLSGP-UHFFFAOYSA-N 0 0 389.208 3.285 20 30 GGEDRN C=CCC1(NC(=O)c2cc(I)ccc2F)CCOCC1 ZINC000598176125 567742822 /nfs/dbraw/zinc/74/28/22/567742822.db2.gz ATWIMRKIFSGUNA-UHFFFAOYSA-N 0 0 389.208 3.285 20 30 GGEDRN CCOC(=O)c1c(NC(=O)c2sccc2Cl)c(C#N)cn1CCOC ZINC000554695840 567743180 /nfs/dbraw/zinc/74/31/80/567743180.db2.gz LNETUGUFHOCHOR-UHFFFAOYSA-N 0 0 381.841 3.150 20 30 GGEDRN Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n(CCC#N)n1 ZINC000532897327 567743229 /nfs/dbraw/zinc/74/32/29/567743229.db2.gz XDXFLXZNSGYPET-UHFFFAOYSA-N 0 0 378.186 3.028 20 30 GGEDRN C=CCC1(NC(=O)c2cccc(I)c2C)CCOCC1 ZINC000598176179 567743317 /nfs/dbraw/zinc/74/33/17/567743317.db2.gz BMYUYVLGBWEUJE-UHFFFAOYSA-N 0 0 385.245 3.455 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000573917706 567743362 /nfs/dbraw/zinc/74/33/62/567743362.db2.gz GAXBHIJNJDNJEZ-BQDHKBFISA-N 0 0 383.286 3.168 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)NC1(c2cccc(Br)c2)CC1 ZINC000443246876 567743482 /nfs/dbraw/zinc/74/34/82/567743482.db2.gz HZQXRYDTIDLAFB-UHFFFAOYSA-N 0 0 395.253 3.427 20 30 GGEDRN N#Cc1ccc(OC2CN(C(=O)[C@@H]3COc4ccc(Br)cc43)C2)cc1 ZINC000461724106 567744614 /nfs/dbraw/zinc/74/46/14/567744614.db2.gz DYBHRQBWBHATSF-QGZVFWFLSA-N 0 0 399.244 3.087 20 30 GGEDRN N#Cc1ccc(OCC(=O)N2CCC[C@H]2[C@@H]2CCCOC2)cc1Br ZINC000573924693 567744795 /nfs/dbraw/zinc/74/47/95/567744795.db2.gz WYXXOJOMPLEYEA-PBHICJAKSA-N 0 0 393.281 3.117 20 30 GGEDRN N#Cc1ccc(OCC(=O)N2CCC[C@H]2[C@H]2CCCOC2)cc1Br ZINC000573924704 567744899 /nfs/dbraw/zinc/74/48/99/567744899.db2.gz WYXXOJOMPLEYEA-YOEHRIQHSA-N 0 0 393.281 3.117 20 30 GGEDRN C=C[C@@H](CO)NC(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000461726545 567744849 /nfs/dbraw/zinc/74/48/49/567744849.db2.gz MUIRTDIENHWRKE-NHYWBVRUSA-N 0 0 378.270 3.154 20 30 GGEDRN Cn1ncc(C(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)c1C#N ZINC000508352646 567745045 /nfs/dbraw/zinc/74/50/45/567745045.db2.gz 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ZINC000554775247 567747604 /nfs/dbraw/zinc/74/76/04/567747604.db2.gz GRXGUQHCYAASLN-UHFFFAOYSA-N 0 0 397.232 3.059 20 30 GGEDRN N#Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1Br ZINC000554763090 567747644 /nfs/dbraw/zinc/74/76/44/567747644.db2.gz YJRUZWOGGKTZJE-UHFFFAOYSA-N 0 0 376.166 3.246 20 30 GGEDRN CSCC[C@](C)(C#N)NC(=O)c1c(C)nc2ccc(Br)cn21 ZINC000554760857 567747758 /nfs/dbraw/zinc/74/77/58/567747758.db2.gz RLUFRAFCQYKSDJ-OAHLLOKOSA-N 0 0 381.299 3.170 20 30 GGEDRN C[C@H](CNS(=O)(=O)c1ccccc1C#N)Oc1cccc(Br)c1 ZINC000443326668 567748921 /nfs/dbraw/zinc/74/89/21/567748921.db2.gz LDQJQDIAIRSUJM-GFCCVEGCSA-N 0 0 395.278 3.067 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC000508462347 567750047 /nfs/dbraw/zinc/75/00/47/567750047.db2.gz VMQQLEIKMDQYLT-GASCZTMLSA-N 0 0 383.279 3.288 20 30 GGEDRN CC1CC(C#N)(C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)C1 ZINC000533070646 567750039 /nfs/dbraw/zinc/75/00/39/567750039.db2.gz WBVMCEMFIJWRQW-UHFFFAOYSA-N 0 0 394.288 3.172 20 30 GGEDRN C=CCOc1cc(OC)ccc1-c1nc(Cn2cc(Br)cn2)no1 ZINC000554815095 567750316 /nfs/dbraw/zinc/75/03/16/567750316.db2.gz MTCWZMPUCFVEES-UHFFFAOYSA-N 0 0 391.225 3.317 20 30 GGEDRN CCN(CC)C(=O)CSCC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000533091312 567750345 /nfs/dbraw/zinc/75/03/45/567750345.db2.gz YXATZPFXPJZARR-CQSZACIVSA-N 0 0 379.551 3.478 20 30 GGEDRN CCN(CC)C(=O)CSCC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000533091311 567750679 /nfs/dbraw/zinc/75/06/79/567750679.db2.gz YXATZPFXPJZARR-AWEZNQCLSA-N 0 0 379.551 3.478 20 30 GGEDRN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)CC(C)(C)C#N ZINC000508491503 567751458 /nfs/dbraw/zinc/75/14/58/567751458.db2.gz QHBYWYLXRAAOIW-UHFFFAOYSA-N 0 0 381.270 3.281 20 30 GGEDRN Cc1oc(C#N)cc1-c1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000554826107 567751504 /nfs/dbraw/zinc/75/15/04/567751504.db2.gz VRNUBTZJRATFHX-UHFFFAOYSA-N 0 0 387.193 3.453 20 30 GGEDRN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)Nc2nc(C)c(C#N)cc2Cl)s1 ZINC000461889153 567752464 /nfs/dbraw/zinc/75/24/64/567752464.db2.gz MOVOOZNJGAPUEW-IUCAKERBSA-N 0 0 378.889 3.404 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(Br)c(F)c2C)C1=O ZINC000667503830 567752987 /nfs/dbraw/zinc/75/29/87/567752987.db2.gz YVQJGJCPRDSHNS-CYBMUJFWSA-N 0 0 384.249 3.147 20 30 GGEDRN CC#CC[C@@H](CO)NC(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000667515792 567754200 /nfs/dbraw/zinc/75/42/00/567754200.db2.gz NOJDJCPBXKBOQZ-LBPRGKRZSA-N 0 0 385.276 3.408 20 30 GGEDRN C[C@@H](C#N)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000443402840 567755104 /nfs/dbraw/zinc/75/51/04/567755104.db2.gz JMFPHQCWJMULKN-GXFFZTMASA-N 0 0 375.226 3.322 20 30 GGEDRN CC(C)(CO)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1 ZINC000554898064 567755530 /nfs/dbraw/zinc/75/55/30/567755530.db2.gz AIKAXJTZUSNKOJ-KRWDZBQOSA-N 0 0 378.881 3.250 20 30 GGEDRN C[C@@H](O)CN([C@H](C)Cc1ccc(Cl)cc1)S(=O)(=O)CCC(C)(C)C#N ZINC000554905223 567755592 /nfs/dbraw/zinc/75/55/92/567755592.db2.gz KUUSPUDCHCOIGT-HUUCEWRRSA-N 0 0 386.945 3.223 20 30 GGEDRN CC(C)(C#N)CCS(=O)(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000554905568 567755646 /nfs/dbraw/zinc/75/56/46/567755646.db2.gz JPQIVXCRZCFNOW-UHFFFAOYSA-N 0 0 389.290 3.216 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)c1nnc([C@H]2CCOC2)n1C ZINC000554916687 567756402 /nfs/dbraw/zinc/75/64/02/567756402.db2.gz KSHCGXRGDICKJV-LBPRGKRZSA-N 0 0 395.276 3.413 20 30 GGEDRN C=CCCOCC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000624095296 567758682 /nfs/dbraw/zinc/75/86/82/567758682.db2.gz NJCUIUYRTILROI-UHFFFAOYSA-N 0 0 395.297 3.219 20 30 GGEDRN C=C(C)CCc1noc(Cc2ccc(S(=O)(=O)N3CCCCC3)s2)n1 ZINC000508642860 567759452 /nfs/dbraw/zinc/75/94/52/567759452.db2.gz CCARRLGOFNBWHD-UHFFFAOYSA-N 0 0 381.523 3.405 20 30 GGEDRN Cc1cc(=O)c(C(=O)N[C@@H](C#N)c2ccccc2Br)cn1C1CC1 ZINC000598386183 567759633 /nfs/dbraw/zinc/75/96/33/567759633.db2.gz GMTGNJOQPFCKCL-INIZCTEOSA-N 0 0 386.249 3.249 20 30 GGEDRN C[C@@]1(CNS(=O)(=O)c2ccc(C#N)cc2Cl)OCCc2sccc21 ZINC000554971114 567759618 /nfs/dbraw/zinc/75/96/18/567759618.db2.gz VMTFOKVHWDNTSP-INIZCTEOSA-N 0 0 382.894 3.040 20 30 GGEDRN C[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443477909 567759919 /nfs/dbraw/zinc/75/99/19/567759919.db2.gz SAFBDMATQHTKPA-LBPRGKRZSA-N 0 0 391.290 3.456 20 30 GGEDRN CCOc1ccccc1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443473429 567759940 /nfs/dbraw/zinc/75/99/40/567759940.db2.gz KWHFQRXMFGSLMT-UHFFFAOYSA-N 0 0 395.278 3.198 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@]1(C)CC1(C)C ZINC000598387966 567760087 /nfs/dbraw/zinc/76/00/87/567760087.db2.gz VWMIULYZZIEGER-KRWDZBQOSA-N 0 0 381.270 3.403 20 30 GGEDRN C[C@@H](O)C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000443496348 567762130 /nfs/dbraw/zinc/76/21/30/567762130.db2.gz BDCLJGUVWFTAEF-HIFRSBDPSA-N 0 0 378.881 3.045 20 30 GGEDRN COc1ccc(Br)cc1CN(C)c1ncc([N+](=O)[O-])cc1C#N ZINC000533278591 567762321 /nfs/dbraw/zinc/76/23/21/567762321.db2.gz LRSXZGIESCPNNK-UHFFFAOYSA-N 0 0 377.198 3.269 20 30 GGEDRN C[C@@H](O)C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1 ZINC000443497982 567762601 /nfs/dbraw/zinc/76/26/01/567762601.db2.gz FFZAXCLMFPZINB-CJNGLKHVSA-N 0 0 378.881 3.045 20 30 GGEDRN C[C@@H](O)C[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000443496353 567762962 /nfs/dbraw/zinc/76/29/62/567762962.db2.gz BDCLJGUVWFTAEF-UKRRQHHQSA-N 0 0 378.881 3.045 20 30 GGEDRN N#Cc1nc(N[C@@H](C(N)=O)c2cccc(Br)c2)ccc1C(F)(F)F ZINC000443511787 567763764 /nfs/dbraw/zinc/76/37/64/567763764.db2.gz RIZDYSGFFGMQBG-CYBMUJFWSA-N 0 0 399.170 3.373 20 30 GGEDRN N#Cc1nc(NCC(=O)Nc2ccc(Br)cc2)ccc1C(F)(F)F ZINC000443509242 567763894 /nfs/dbraw/zinc/76/38/94/567763894.db2.gz HVXNGQMNDPOOHY-UHFFFAOYSA-N 0 0 399.170 3.207 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000443506024 567764376 /nfs/dbraw/zinc/76/43/76/567764376.db2.gz AABBHHBWBXYYIB-KRWDZBQOSA-N 0 0 375.881 3.477 20 30 GGEDRN CCN(CC)C(=O)CSCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000443516724 567765734 /nfs/dbraw/zinc/76/57/34/567765734.db2.gz COOSNNKGVCGLHQ-UHFFFAOYSA-N 0 0 381.929 3.497 20 30 GGEDRN N#Cc1cccc(CCNS(=O)(=O)CCc2ccccc2Br)c1 ZINC000462072486 567766048 /nfs/dbraw/zinc/76/60/48/567766048.db2.gz FGQUTRBDOQEFFO-UHFFFAOYSA-N 0 0 393.306 3.025 20 30 GGEDRN C=CCn1c(COc2ccc(Br)cc2)nnc1N(C)CCOCC ZINC000508793736 567766379 /nfs/dbraw/zinc/76/63/79/567766379.db2.gz JEVODOYSYWWSIP-UHFFFAOYSA-N 0 0 395.301 3.278 20 30 GGEDRN N#Cc1ccc(NC(=O)c2cccc(F)c2I)cc1C#N ZINC000533392333 567766743 /nfs/dbraw/zinc/76/67/43/567766743.db2.gz SVUCCRLLEHEHLC-UHFFFAOYSA-N 0 0 391.143 3.426 20 30 GGEDRN Cc1ccc2c(n1)c(=O)c(C#N)cn2CC(=O)c1sccc1Br ZINC000443553290 567766827 /nfs/dbraw/zinc/76/68/27/567766827.db2.gz YKVIEWBBGCDMOE-UHFFFAOYSA-N 0 0 388.246 3.284 20 30 GGEDRN CCOc1cccc(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000443533821 567766915 /nfs/dbraw/zinc/76/69/15/567766915.db2.gz PZZHRGGBZZTHAX-UHFFFAOYSA-N 0 0 395.278 3.198 20 30 GGEDRN C[C@@H](Nc1cc(Br)c(C#N)cc1F)c1cccc(S(N)(=O)=O)c1 ZINC000574243712 567767097 /nfs/dbraw/zinc/76/70/97/567767097.db2.gz HQMOIAHAZLPWSK-SECBINFHSA-N 0 0 398.257 3.280 20 30 GGEDRN Cc1ccc2c(n1)c(=O)c(C#N)cn2Cc1cc2c(cc1Br)OCO2 ZINC000443550347 567767145 /nfs/dbraw/zinc/76/71/45/567767145.db2.gz JKHIDZSUACRTOR-UHFFFAOYSA-N 0 0 398.216 3.116 20 30 GGEDRN N#Cc1ccc(OC2CN(S(=O)(=O)c3ccc(C(F)(F)F)s3)C2)cc1 ZINC000462075174 567767463 /nfs/dbraw/zinc/76/74/63/567767463.db2.gz KPMIGBIEWMYTPB-UHFFFAOYSA-N 0 0 388.392 3.090 20 30 GGEDRN C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCCCO1 ZINC000508810267 567767585 /nfs/dbraw/zinc/76/75/85/567767585.db2.gz CBDSCTFGSTWXBZ-CQSZACIVSA-N 0 0 394.317 3.237 20 30 GGEDRN C=CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(Br)cc1 ZINC000508823969 567767748 /nfs/dbraw/zinc/76/77/48/567767748.db2.gz AQXNBAORUWXHDB-UHFFFAOYSA-N 0 0 387.285 3.264 20 30 GGEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000508815850 567767923 /nfs/dbraw/zinc/76/79/23/567767923.db2.gz DRJNLOJLUDBRNX-OLZOCXBDSA-N 0 0 392.301 3.085 20 30 GGEDRN C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](OC)C1 ZINC000508826314 567768083 /nfs/dbraw/zinc/76/80/83/567768083.db2.gz MUGPGIARWFPCDI-GFCCVEGCSA-N 0 0 381.249 3.258 20 30 GGEDRN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc(C#N)cc1 ZINC000508822719 567768101 /nfs/dbraw/zinc/76/81/01/567768101.db2.gz RBFBYGRCZSARLQ-UHFFFAOYSA-N 0 0 399.255 3.130 20 30 GGEDRN CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(C#N)CC1 ZINC000555108031 567768978 /nfs/dbraw/zinc/76/89/78/567768978.db2.gz GWZCXNAXHWOXDR-UHFFFAOYSA-N 0 0 390.285 3.476 20 30 GGEDRN C=CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)O[C@@H](CC)C1 ZINC000508842800 567769347 /nfs/dbraw/zinc/76/93/47/567769347.db2.gz ZHUXIWDHSCEWHT-OCCSQVGLSA-N 0 0 394.317 3.236 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(C#N)cc2F)s1 ZINC000533446480 567770043 /nfs/dbraw/zinc/77/00/43/567770043.db2.gz GXJRVVBHSJKSCB-UHFFFAOYSA-N 0 0 381.498 3.079 20 30 GGEDRN C=CCn1c(-c2ccccc2Br)nnc1N(C)CCn1cccn1 ZINC000508866164 567770145 /nfs/dbraw/zinc/77/01/45/567770145.db2.gz YWOGHAGRXGPACV-UHFFFAOYSA-N 0 0 387.285 3.227 20 30 GGEDRN C=CCn1c(COCC)nnc1N(C)Cc1cc(OC)ccc1Br ZINC000508861902 567770263 /nfs/dbraw/zinc/77/02/63/567770263.db2.gz FFUDZJHBGFLKBX-UHFFFAOYSA-N 0 0 395.301 3.408 20 30 GGEDRN C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1C[C@H](OC)[C@@H](OC)C1 ZINC000508854075 567770332 /nfs/dbraw/zinc/77/03/32/567770332.db2.gz BCCKMKSXVGAGOE-GJZGRUSLSA-N 0 0 383.279 3.288 20 30 GGEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[C@@H]1CCCO1 ZINC000508850945 567770381 /nfs/dbraw/zinc/77/03/81/567770381.db2.gz XHDJXQOUWIUYKG-ZDUSSCGKSA-N 0 0 380.290 3.227 20 30 GGEDRN C=CCn1c(COc2ccc(Br)cc2)nnc1N(C)CCCOC ZINC000508867897 567770402 /nfs/dbraw/zinc/77/04/02/567770402.db2.gz SDNMZROMZXJFRL-UHFFFAOYSA-N 0 0 395.301 3.278 20 30 GGEDRN C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](OC)C1 ZINC000508849113 567770429 /nfs/dbraw/zinc/77/04/29/567770429.db2.gz PFAIAFFQADHEGL-CYBMUJFWSA-N 0 0 393.285 3.127 20 30 GGEDRN C=CCn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCOC1 ZINC000508864823 567770554 /nfs/dbraw/zinc/77/05/54/567770554.db2.gz QRRHOBMWGFUSIX-CYBMUJFWSA-N 0 0 377.286 3.366 20 30 GGEDRN N#C[C@@H](NS(=O)(=O)c1cccc(Br)c1F)C1CCCCC1 ZINC000574304796 567770989 /nfs/dbraw/zinc/77/09/89/567770989.db2.gz ZXQZQPBHWAPWIK-GFCCVEGCSA-N 0 0 375.263 3.339 20 30 GGEDRN C=CCn1c(COCC)nnc1N(C)CCOc1ccc(Br)cc1 ZINC000508886567 567771525 /nfs/dbraw/zinc/77/15/25/567771525.db2.gz BZJYCIJGEHNVTF-UHFFFAOYSA-N 0 0 395.301 3.278 20 30 GGEDRN N#Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1 ZINC000508874861 567771717 /nfs/dbraw/zinc/77/17/17/567771717.db2.gz BPRFRFFOFMNURU-UHFFFAOYSA-N 0 0 393.140 3.323 20 30 GGEDRN C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C)C1 ZINC000508876049 567771844 /nfs/dbraw/zinc/77/18/44/567771844.db2.gz WMBRCZJWJDQONG-NSHDSACASA-N 0 0 381.249 3.258 20 30 GGEDRN C=CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)s1 ZINC000508879218 567771848 /nfs/dbraw/zinc/77/18/48/567771848.db2.gz DUKLAKXZJFDFGF-NSHDSACASA-N 0 0 383.315 3.428 20 30 GGEDRN CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1cncc(C#N)c1 ZINC000555139308 567772000 /nfs/dbraw/zinc/77/20/00/567772000.db2.gz BDSCAGSNKITWKY-UHFFFAOYSA-N 0 0 375.759 3.451 20 30 GGEDRN CC1(C)C[C@@]1(C#N)NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000574330290 567772167 /nfs/dbraw/zinc/77/21/67/567772167.db2.gz QPKIPINNGUOHRM-LBPRGKRZSA-N 0 0 397.216 3.438 20 30 GGEDRN N#Cc1cc([N+](=O)[O-])cnc1NCCc1c[nH]c2cccc(Br)c12 ZINC000555139219 567772121 /nfs/dbraw/zinc/77/21/21/567772121.db2.gz LEQIKQTVSCWOFL-UHFFFAOYSA-N 0 0 386.209 3.182 20 30 GGEDRN N#C[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2C2CC2)CCO1 ZINC000574333581 567772421 /nfs/dbraw/zinc/77/24/21/567772421.db2.gz WXZHRHOKWULDKI-CQSZACIVSA-N 0 0 375.885 3.287 20 30 GGEDRN C=CCN(C(=O)NCCOc1ccc(I)cc1)C1CC1 ZINC000555192688 567772898 /nfs/dbraw/zinc/77/28/98/567772898.db2.gz LORGQRRAQFRYPN-UHFFFAOYSA-N 0 0 386.233 3.030 20 30 GGEDRN CCC[C@@H](C#N)NS(=O)(=O)c1ccc(Br)cc1Br ZINC000533549222 567774104 /nfs/dbraw/zinc/77/41/04/567774104.db2.gz KEKBEAKFIVGGPT-VIFPVBQESA-N 0 0 396.104 3.182 20 30 GGEDRN N#Cc1ccc(OCC(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)cc1Br ZINC000574376324 567774511 /nfs/dbraw/zinc/77/45/11/567774511.db2.gz IDAZZRPSBPIOMP-MAUKXSAKSA-N 0 0 375.266 3.347 20 30 GGEDRN CCC(=O)Nc1cccc(CNS(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000533555110 567775970 /nfs/dbraw/zinc/77/59/70/567775970.db2.gz DCWAEXSGWWFKOA-UHFFFAOYSA-N 0 0 377.853 3.039 20 30 GGEDRN C=CCCCCNC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000555258978 567776055 /nfs/dbraw/zinc/77/60/55/567776055.db2.gz VWIHGPVWCRTFHA-UHFFFAOYSA-N 0 0 376.254 3.408 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCOCC1 ZINC000555266296 567777337 /nfs/dbraw/zinc/77/73/37/567777337.db2.gz WPNFQFZJSPMEOY-UHFFFAOYSA-N 0 0 393.285 3.129 20 30 GGEDRN COc1cccc([C@H](C)NS(=O)(=O)c2cccc(Br)c2C#N)c1 ZINC000574432767 567777738 /nfs/dbraw/zinc/77/77/38/567777738.db2.gz IDSZEIZCVNFDKK-NSHDSACASA-N 0 0 395.278 3.369 20 30 GGEDRN CC(C)(C#N)C[C@@H](O)CN1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000598585486 567777802 /nfs/dbraw/zinc/77/78/02/567777802.db2.gz DXXWMQYGJCJQSH-CYBMUJFWSA-N 0 0 384.307 3.052 20 30 GGEDRN Cc1cc(S(=O)(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)ccc1C#N ZINC000443877977 567777894 /nfs/dbraw/zinc/77/78/94/567777894.db2.gz CUNCSJOUMHBUKR-KRWDZBQOSA-N 0 0 376.865 3.362 20 30 GGEDRN Cc1cc(S(=O)(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)ccc1C#N ZINC000443877981 567777981 /nfs/dbraw/zinc/77/79/81/567777981.db2.gz CUNCSJOUMHBUKR-QGZVFWFLSA-N 0 0 376.865 3.362 20 30 GGEDRN CNC(=O)[C@H](CCSC)NC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000574436416 567778104 /nfs/dbraw/zinc/77/81/04/567778104.db2.gz UESIMDWVZDGJNJ-OCCSQVGLSA-N 0 0 380.539 3.070 20 30 GGEDRN Cc1cc(S(=O)(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)ccc1C#N ZINC000443881200 567778202 /nfs/dbraw/zinc/77/82/02/567778202.db2.gz HGGVMIFFAPCCJV-INIZCTEOSA-N 0 0 375.881 3.077 20 30 GGEDRN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000598613421 567779119 /nfs/dbraw/zinc/77/91/19/567779119.db2.gz XGXVOGNKYVMNAA-RISCZKNCSA-N 0 0 393.285 3.450 20 30 GGEDRN Cc1cc(S(=O)(=O)NCc2ccc(Br)c(F)c2)ccc1C#N ZINC000443898238 567779288 /nfs/dbraw/zinc/77/92/88/567779288.db2.gz KFUQYIFRNRVVNM-UHFFFAOYSA-N 0 0 383.242 3.247 20 30 GGEDRN CC(C)(C#N)C[C@H](O)CN1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000598602770 567779377 /nfs/dbraw/zinc/77/93/77/567779377.db2.gz BNEXVDPOUURFBX-BBRMVZONSA-N 0 0 385.277 3.262 20 30 GGEDRN Cc1cc(S(=O)(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000443891861 567779454 /nfs/dbraw/zinc/77/94/54/567779454.db2.gz NBGSTSXNZRGABW-QZTJIDSGSA-N 0 0 376.865 3.329 20 30 GGEDRN Cc1cc(S(=O)(=O)N2CCO[C@@H](c3ccccc3Cl)C2)ccc1C#N ZINC000443899346 567779500 /nfs/dbraw/zinc/77/95/00/567779500.db2.gz KFARKARBVYXNGR-GOSISDBHSA-N 0 0 376.865 3.282 20 30 GGEDRN Cc1cc(CC(C)(C)NC(=O)c2cnn(C)c2C#N)ccc1Br ZINC000574473655 567779654 /nfs/dbraw/zinc/77/96/54/567779654.db2.gz BXICKQABKHZKCB-UHFFFAOYSA-N 0 0 375.270 3.114 20 30 GGEDRN CC1(C#N)CN(Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC000574462256 567779737 /nfs/dbraw/zinc/77/97/37/567779737.db2.gz CAOYCOZSYMJJMF-UHFFFAOYSA-N 0 0 379.201 3.292 20 30 GGEDRN Cn1cc([C@@H]2CSCCN2c2cc(Br)c(C#N)cc2F)cn1 ZINC000598627600 567780466 /nfs/dbraw/zinc/78/04/66/567780466.db2.gz IGNDZBSOUYPDTR-HNNXBMFYSA-N 0 0 381.274 3.488 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCCCCc2ccc(Cl)s2)cc1F ZINC000574490946 567780684 /nfs/dbraw/zinc/78/06/84/567780684.db2.gz UDMCYMFLWKSCAM-UHFFFAOYSA-N 0 0 379.844 3.490 20 30 GGEDRN C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCO2)CC1 ZINC000555385246 567781481 /nfs/dbraw/zinc/78/14/81/567781481.db2.gz VDTJIKCDRQUSMJ-CQSZACIVSA-N 0 0 392.301 3.371 20 30 GGEDRN N#C[C@@H](NS(=O)(=O)c1cc(Br)ccc1F)C1CCCCC1 ZINC000533690887 567781649 /nfs/dbraw/zinc/78/16/49/567781649.db2.gz WZLSDGMQNVPOSE-CYBMUJFWSA-N 0 0 375.263 3.339 20 30 GGEDRN C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N(C)Cc1ccc(Br)o1 ZINC000647370300 567781845 /nfs/dbraw/zinc/78/18/45/567781845.db2.gz SSKCNCBWEGFEQB-DGCLKSJQSA-N 0 0 381.274 3.348 20 30 GGEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(Br)c[nH]c1=O ZINC000598691598 567781905 /nfs/dbraw/zinc/78/19/05/567781905.db2.gz VLYFHMBHAKFAKR-JKSUJKDBSA-N 0 0 386.249 3.462 20 30 GGEDRN N#C[C@]1(F)CCN(C(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000598661307 567781928 /nfs/dbraw/zinc/78/19/28/567781928.db2.gz YSSBXUHKVOZCHK-CYBMUJFWSA-N 0 0 376.176 3.188 20 30 GGEDRN Cc1cc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCCC2)ccc1C#N ZINC000443964666 567782558 /nfs/dbraw/zinc/78/25/58/567782558.db2.gz NEHRAELOIYLPCM-KRWDZBQOSA-N 0 0 375.519 3.044 20 30 GGEDRN N#Cc1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)c(Cl)c1 ZINC000443964054 567782649 /nfs/dbraw/zinc/78/26/49/567782649.db2.gz UFJLZAKATDCWGN-UHFFFAOYSA-N 0 0 378.219 3.495 20 30 GGEDRN Cc1cc(S(=O)(=O)NC[C@H](c2ccccc2Cl)N(C)C)ccc1C#N ZINC000443969570 567783088 /nfs/dbraw/zinc/78/30/88/567783088.db2.gz YSVHDERCHSXARX-GOSISDBHSA-N 0 0 377.897 3.101 20 30 GGEDRN CCC[C@@]1(C(=O)OCC)CCCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443973520 567783483 /nfs/dbraw/zinc/78/34/83/567783483.db2.gz ZWMJCZGEVUQQEK-KRWDZBQOSA-N 0 0 384.885 3.098 20 30 GGEDRN CC(C)(C#N)C[C@H](O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000598703131 567783563 /nfs/dbraw/zinc/78/35/63/567783563.db2.gz COCWQVZZEJDRJN-GTNSWQLSSA-N 0 0 384.263 3.061 20 30 GGEDRN CC(C)(C#N)C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000598703128 567783593 /nfs/dbraw/zinc/78/35/93/567783593.db2.gz COCWQVZZEJDRJN-DIFFPNOSSA-N 0 0 384.263 3.061 20 30 GGEDRN CC(C)(C#N)C[C@@H](O)CN1C(=O)C[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000598706027 567783636 /nfs/dbraw/zinc/78/36/36/567783636.db2.gz PFLHLMXMTWCEEX-KZULUSFZSA-N 0 0 383.275 3.311 20 30 GGEDRN C=CC[C@@H]1N(S(=O)(=O)c2sc(C(=O)OC)cc2OC)CCCC1(C)C ZINC000443979593 567783724 /nfs/dbraw/zinc/78/37/24/567783724.db2.gz PFFGCAOZTSQKHK-AWEZNQCLSA-N 0 0 387.523 3.299 20 30 GGEDRN Cc1cccc(S(=O)(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1C#N ZINC000555424397 567783820 /nfs/dbraw/zinc/78/38/20/567783820.db2.gz ZZDAFFQKQTXSDD-MRXNPFEDSA-N 0 0 376.865 3.362 20 30 GGEDRN Cc1cccc(S(=O)(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)c1C#N ZINC000555424396 567784076 /nfs/dbraw/zinc/78/40/76/567784076.db2.gz ZZDAFFQKQTXSDD-INIZCTEOSA-N 0 0 376.865 3.362 20 30 GGEDRN C=CCN(C(=O)c1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000624489351 567784252 /nfs/dbraw/zinc/78/42/52/567784252.db2.gz FYLNUCKJNXUWSJ-LLVKDONJSA-N 0 0 381.803 3.174 20 30 GGEDRN C=C(C)[C@H](CC(=O)NC(C)(C)COc1ncccc1Br)OCC ZINC000533739184 567784989 /nfs/dbraw/zinc/78/49/89/567784989.db2.gz XJDLTEVUWOISPJ-AWEZNQCLSA-N 0 0 385.302 3.489 20 30 GGEDRN Cc1nc2nc(C(C)C)cc(=O)n2n1Cc1ccc(C#N)cc1Br ZINC000598728078 567785682 /nfs/dbraw/zinc/78/56/82/567785682.db2.gz GBYDWFSWPCJRCP-UHFFFAOYSA-N 0 0 386.253 3.005 20 30 GGEDRN C=C(C)[C@H](CC(=O)Nc1cc(Cl)ccc1Sc1nnnn1C)OCC ZINC000533757694 567786104 /nfs/dbraw/zinc/78/61/04/567786104.db2.gz JSQOBZAMWUTPNV-ZDUSSCGKSA-N 0 0 381.889 3.325 20 30 GGEDRN CC(=O)N(c1nc(CN2CCOC[C@H]2C#N)cs1)c1cccc(Cl)c1 ZINC000533760481 567786330 /nfs/dbraw/zinc/78/63/30/567786330.db2.gz BYHOPFYZTOCLGR-MRXNPFEDSA-N 0 0 376.869 3.205 20 30 GGEDRN CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCCO1 ZINC000555513183 567786632 /nfs/dbraw/zinc/78/66/32/567786632.db2.gz WWQAXUVDXFXGKT-OAHLLOKOSA-N 0 0 376.400 3.013 20 30 GGEDRN COc1cc(CS(=O)(=O)CCCCC(C)(C)C#N)c(Br)cn1 ZINC000598733410 567786913 /nfs/dbraw/zinc/78/69/13/567786913.db2.gz CUNNHWOMRCZVJZ-UHFFFAOYSA-N 0 0 389.315 3.488 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cncc(N2CCOCC2)c1 ZINC000533785566 567787004 /nfs/dbraw/zinc/78/70/04/567787004.db2.gz VMHNUBONTPJKHB-UHFFFAOYSA-N 0 0 377.897 3.462 20 30 GGEDRN Cc1cc(I)ccc1NS(=O)(=O)CCC(C)(C)C#N ZINC000555528736 567787168 /nfs/dbraw/zinc/78/71/68/567787168.db2.gz OTLJLHPKKUJRMB-UHFFFAOYSA-N 0 0 392.262 3.281 20 30 GGEDRN CCc1ccc([C@H](C#N)N(C)S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000574651505 567790231 /nfs/dbraw/zinc/79/02/31/567790231.db2.gz NKRIHGRFYXUZDJ-INIZCTEOSA-N 0 0 394.294 3.292 20 30 GGEDRN CC1(c2ccccc2)CN(C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000598781980 567791608 /nfs/dbraw/zinc/79/16/08/567791608.db2.gz SJNUHINGBSALNU-UHFFFAOYSA-N 0 0 385.261 3.500 20 30 GGEDRN CN(C(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F)c1cc(Cl)ccc1C#N ZINC000598818029 567792244 /nfs/dbraw/zinc/79/22/44/567792244.db2.gz IXCIOAIMESUKNP-STQMWFEESA-N 0 0 376.762 3.158 20 30 GGEDRN CC(C)(C#N)CCS(=O)(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000574690530 567792582 /nfs/dbraw/zinc/79/25/82/567792582.db2.gz GVOILDYMPQLKTM-UHFFFAOYSA-N 0 0 378.475 3.393 20 30 GGEDRN CO[C@](C)(C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C ZINC000598824311 567792948 /nfs/dbraw/zinc/79/29/48/567792948.db2.gz QKBRKQAWGYTFLX-CXAGYDPISA-N 0 0 387.263 3.421 20 30 GGEDRN CO[C@@](C)(C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C ZINC000598824312 567793103 /nfs/dbraw/zinc/79/31/03/567793103.db2.gz QKBRKQAWGYTFLX-DYVFJYSZSA-N 0 0 387.263 3.421 20 30 GGEDRN CC(C)(C)CCOc1cnccc1CNS(=O)(=O)c1ccc(C#N)s1 ZINC000574717170 567793418 /nfs/dbraw/zinc/79/34/18/567793418.db2.gz AZVWHPNHIYADMV-UHFFFAOYSA-N 0 0 379.507 3.308 20 30 GGEDRN C[C@]1(CNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CCCS1 ZINC000444128930 567794113 /nfs/dbraw/zinc/79/41/13/567794113.db2.gz MTLMKKUTLSTFJO-GOSISDBHSA-N 0 0 378.929 3.329 20 30 GGEDRN COCC[C@@](C)(C#N)NC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000598841941 567794242 /nfs/dbraw/zinc/79/42/42/567794242.db2.gz UOLSQZCDPHVFPP-INIZCTEOSA-N 0 0 378.226 3.153 20 30 GGEDRN CCOC(=O)c1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)nc1 ZINC000555658948 567794419 /nfs/dbraw/zinc/79/44/19/567794419.db2.gz QUZCVQHWHJJGBW-OAHLLOKOSA-N 0 0 388.221 3.015 20 30 GGEDRN N#Cc1ccc2c(c1)N(S(=O)(=O)c1cc(F)c(Br)cc1F)CC2 ZINC000555706352 567795596 /nfs/dbraw/zinc/79/55/96/567795596.db2.gz PKMAEGDGRPNVLR-UHFFFAOYSA-N 0 0 399.216 3.350 20 30 GGEDRN Cc1cc(S(=O)(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000574751440 567795753 /nfs/dbraw/zinc/79/57/53/567795753.db2.gz DUAASYNKAYZGJT-QZTJIDSGSA-N 0 0 376.865 3.017 20 30 GGEDRN CC1(C)CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@](C)(C(F)(F)F)O1 ZINC000574773447 567796296 /nfs/dbraw/zinc/79/62/96/567796296.db2.gz JENPQJXAOVKKLP-CQSZACIVSA-N 0 0 396.818 3.332 20 30 GGEDRN O=S(=O)(NCCSCC(F)(F)F)c1ccc(C(F)(F)F)cc1F ZINC000444212140 567796996 /nfs/dbraw/zinc/79/69/96/567796996.db2.gz MDCPUEQNFGLTDN-UHFFFAOYSA-N 0 0 385.326 3.418 20 30 GGEDRN Cn1nc(C(C)(C)C)cc1C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000598879659 567797145 /nfs/dbraw/zinc/79/71/45/567797145.db2.gz VMEGYTLYHLXPKX-ZDUSSCGKSA-N 0 0 375.270 3.475 20 30 GGEDRN C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cccs1 ZINC000444210735 567797314 /nfs/dbraw/zinc/79/73/14/567797314.db2.gz GOQPZEXYPBWTSY-INIZCTEOSA-N 0 0 379.503 3.099 20 30 GGEDRN CC(=O)N1CCc2c(C#N)c(NC(=O)c3occc3Br)sc2C1 ZINC000598888969 567798181 /nfs/dbraw/zinc/79/81/81/567798181.db2.gz QMYNENNFMQKFOQ-UHFFFAOYSA-N 0 0 394.250 3.132 20 30 GGEDRN CC(C)CCN(CCC#N)CC(=O)Nc1cccc(I)c1 ZINC000444232168 567798159 /nfs/dbraw/zinc/79/81/59/567798159.db2.gz NZROXVDLRPRTAD-UHFFFAOYSA-N 0 0 399.276 3.491 20 30 GGEDRN CCC(C#N)(CC)C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000598969490 567801031 /nfs/dbraw/zinc/80/10/31/567801031.db2.gz LFNLAGBXWYPLQB-UHFFFAOYSA-N 0 0 380.286 3.484 20 30 GGEDRN N#Cc1ccc(N2CCN(Cc3cccc(F)c3)C(=O)C2)c(Br)c1 ZINC000534145992 567801478 /nfs/dbraw/zinc/80/14/78/567801478.db2.gz GNCJFDLLBCVXAP-UHFFFAOYSA-N 0 0 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GGEDRN N#Cc1cccc(CNC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)c1 ZINC000737721972 599562964 /nfs/dbraw/zinc/56/29/64/599562964.db2.gz DEXJAECAJXZUNR-UHFFFAOYSA-N 0 0 395.426 3.412 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736511656 599564652 /nfs/dbraw/zinc/56/46/52/599564652.db2.gz FUVJQLPOQZSHBU-CQSZACIVSA-N 0 0 375.436 3.232 20 30 GGEDRN CCC(CC)CN(CCC#N)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000820893767 599640340 /nfs/dbraw/zinc/64/03/40/599640340.db2.gz VDLWKNCCNQYNDR-UHFFFAOYSA-N 0 0 380.456 3.069 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC(CC)(CC)SC ZINC000819742875 599679793 /nfs/dbraw/zinc/67/97/93/599679793.db2.gz BDSUJUMIXBVJJZ-UHFFFAOYSA-N 0 0 388.541 3.486 20 30 GGEDRN C=CCN(Cc1nc([C@H](C)OCC(C)C)no1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819745500 599683517 /nfs/dbraw/zinc/68/35/17/599683517.db2.gz GRSHHZQISUBMNK-HNNXBMFYSA-N 0 0 397.483 3.172 20 30 GGEDRN N#Cc1c2c(sc1NC(=O)CC[N@@H+]1[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]31)CCC2 ZINC000739093630 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C[C@@H](C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1)C(=O)[O-] ZINC000736577369 599949341 /nfs/dbraw/zinc/94/93/41/599949341.db2.gz BERJZSOCTBQLCK-ZDUSSCGKSA-N 0 0 389.521 3.402 20 30 GGEDRN C=CCOc1ccc(C(=O)OCc2ccc(-c3nn[nH]n3)cc2C)cc1OC ZINC000823932148 607409060 /nfs/dbraw/zinc/40/90/60/607409060.db2.gz QAGLJIFAYXCOAC-UHFFFAOYSA-N 0 0 380.404 3.106 20 30 GGEDRN Cc1c(Cl)cccc1NC(=S)NN=C1CC[NH+](CCCC(=O)[O-])CC1 ZINC000738291581 600003697 /nfs/dbraw/zinc/00/36/97/600003697.db2.gz VSFXOQHBPANGSQ-UHFFFAOYSA-N 0 0 382.917 3.251 20 30 GGEDRN O=C([O-])CCC[NH+]1CCC(N=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000739672519 600004317 /nfs/dbraw/zinc/00/43/17/600004317.db2.gz LPCPDECDYRPHFW-UHFFFAOYSA-N 0 0 388.346 3.342 20 30 GGEDRN O=C([O-])CCC[NH+]1CCC(N=Nc2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000739672580 600005216 /nfs/dbraw/zinc/00/52/16/600005216.db2.gz SYMLVWKADRBKRH-UHFFFAOYSA-N 0 0 395.385 3.377 20 30 GGEDRN C[C@@]([NH2+]CCOc1cccc(C#N)c1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736663914 600077100 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WFDGLTOEIHVUPJ-LJQANCHMSA-N 0 0 391.471 3.200 20 30 GGEDRN N#Cc1c(NC(=O)CC[NH2+]C2(C(=O)[O-])CCCC2)sc2c1CCCCC2 ZINC000739093815 600558350 /nfs/dbraw/zinc/55/83/50/600558350.db2.gz SWTJXZFTGXLOES-UHFFFAOYSA-N 0 0 375.494 3.204 20 30 GGEDRN COc1cc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC(F)F ZINC000737882187 600562389 /nfs/dbraw/zinc/56/23/89/600562389.db2.gz URLQZKGBBBEZGW-QGZVFWFLSA-N 0 0 376.359 3.426 20 30 GGEDRN N#Cc1ccc([C@H](C(=O)[O-])[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000739107361 600562960 /nfs/dbraw/zinc/56/29/60/600562960.db2.gz WUQHRFRXMNHRDO-LJQANCHMSA-N 0 0 387.842 3.294 20 30 GGEDRN COc1ccc(C[N@H+](C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC(F)F ZINC000737995922 600563482 /nfs/dbraw/zinc/56/34/82/600563482.db2.gz UEYNVCMFCBWCHC-KRWDZBQOSA-N 0 0 376.359 3.426 20 30 GGEDRN COc1ccc(Cl)cc1CN1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000738014693 600563690 /nfs/dbraw/zinc/56/36/90/600563690.db2.gz XLXMSTJDXKTCRX-FQEVSTJZSA-N 0 0 399.878 3.164 20 30 GGEDRN N#Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3ccc(F)cc3Cl)CC2)cc1 ZINC000739107745 600564898 /nfs/dbraw/zinc/56/48/98/600564898.db2.gz ZHDLQEBJHJSGBH-IBGZPJMESA-N 0 0 387.842 3.294 20 30 GGEDRN N#Cc1ccc([C@@H](C(=O)[O-])[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000739103398 600565371 /nfs/dbraw/zinc/56/53/71/600565371.db2.gz AQXOFTDAFAUOJV-QAPCUYQASA-N 0 0 398.850 3.083 20 30 GGEDRN N#Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC000739103522 600567752 /nfs/dbraw/zinc/56/77/52/600567752.db2.gz BHYMHNBTUOMEGW-IBGZPJMESA-N 0 0 387.443 3.349 20 30 GGEDRN CN(CC1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000737414258 600568938 /nfs/dbraw/zinc/56/89/38/600568938.db2.gz ZFBIPOGCFXWPJV-SFHVURJKSA-N 0 0 387.480 3.263 20 30 GGEDRN CC(=O)N1CCCCC[C@H]1C1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736135142 600570912 /nfs/dbraw/zinc/57/09/12/600570912.db2.gz OGXNTXOGYSOCLC-LEWJYISDSA-N 0 0 383.492 3.187 20 30 GGEDRN N#Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCC(CN3CCc4ccccc43)CC2)cc1 ZINC000739105844 600571411 /nfs/dbraw/zinc/57/14/11/600571411.db2.gz OFNCFJNNKCJDBU-QFIPXVFZSA-N 0 0 375.472 3.459 20 30 GGEDRN CCOc1cc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC(F)F ZINC000737191344 600594542 /nfs/dbraw/zinc/59/45/42/600594542.db2.gz IOCBHUSASAZKLJ-QGZVFWFLSA-N 0 0 376.359 3.474 20 30 GGEDRN N#Cc1ccc([C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)C(=O)[O-])cc1 ZINC000739108959 600595219 /nfs/dbraw/zinc/59/52/19/600595219.db2.gz YYTWTTBZVASBKS-HXUWFJFHSA-N 0 0 386.411 3.121 20 30 GGEDRN N#Cc1ccc([C@H]([NH2+]CCc2ccc(F)c(Br)c2)C(=O)[O-])cc1 ZINC000739105513 600596063 /nfs/dbraw/zinc/59/60/63/600596063.db2.gz HQXWPLHLMSTVEJ-INIZCTEOSA-N 0 0 377.213 3.418 20 30 GGEDRN N#Cc1ccc([C@H]([NH2+]CCc2cc(Br)ccc2F)C(=O)[O-])cc1 ZINC000739105497 600597276 /nfs/dbraw/zinc/59/72/76/600597276.db2.gz HMMPCFWTZHKEPI-INIZCTEOSA-N 0 0 377.213 3.418 20 30 GGEDRN N#Cc1ccc([C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C(=O)[O-])cc1 ZINC000739105518 600598425 /nfs/dbraw/zinc/59/84/25/600598425.db2.gz HQZFEXCJEJNGEF-KRWDZBQOSA-N 0 0 382.807 3.220 20 30 GGEDRN CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2NC1=O ZINC000829170579 600694922 /nfs/dbraw/zinc/69/49/22/600694922.db2.gz WHECUXKBIHLMDN-OYYNGEPBSA-N 0 0 379.416 3.144 20 30 GGEDRN CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2NC1=O ZINC000829170577 600695116 /nfs/dbraw/zinc/69/51/16/600695116.db2.gz WHECUXKBIHLMDN-KHDYIWLOSA-N 0 0 379.416 3.144 20 30 GGEDRN C[C@H](C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1)C(=O)[O-] ZINC000827455923 600823525 /nfs/dbraw/zinc/82/35/25/600823525.db2.gz PDHKTPYJGNCFGC-OAHLLOKOSA-N 0 0 376.416 3.331 20 30 GGEDRN C[C@@H]1C[C@H](NC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC[N@@H+]1C ZINC000736759021 600941185 /nfs/dbraw/zinc/94/11/85/600941185.db2.gz FVOWCVJEZUDQLL-IIBYNOLFSA-N 0 0 391.471 3.389 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1C ZINC000832971350 600988127 /nfs/dbraw/zinc/98/81/27/600988127.db2.gz KXFQRNVRQZWCIJ-RLLQIKCJSA-N 0 0 383.492 3.268 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1C ZINC000832971349 600988138 /nfs/dbraw/zinc/98/81/38/600988138.db2.gz KXFQRNVRQZWCIJ-IHPCNDPISA-N 0 0 383.492 3.268 20 30 GGEDRN N#Cc1ccc([C@@H](C(=O)[O-])[N@@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)cc1 ZINC000739106099 601119370 /nfs/dbraw/zinc/11/93/70/601119370.db2.gz PSDAVKXLFOUMLY-BBRMVZONSA-N 0 0 378.354 3.305 20 30 GGEDRN N#Cc1ccc([C@@H](C(=O)[O-])[N@@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)cc1 ZINC000739106102 601119449 /nfs/dbraw/zinc/11/94/49/601119449.db2.gz PSDAVKXLFOUMLY-CJNGLKHVSA-N 0 0 378.354 3.305 20 30 GGEDRN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 ZINC000827368702 601127150 /nfs/dbraw/zinc/12/71/50/601127150.db2.gz HWHQXXPOKHVPDU-INIZCTEOSA-N 0 0 397.500 3.161 20 30 GGEDRN N#Cc1cccc([C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)C(=O)[O-])c1 ZINC000833074874 601302589 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ANDKAZFLAUSFNL-KRWDZBQOSA-N 0 0 376.359 3.426 20 30 GGEDRN COc1cccc(OC)c1OC1CC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832568233 601311898 /nfs/dbraw/zinc/31/18/98/601311898.db2.gz ZXTONAKGDZFWEM-FQEVSTJZSA-N 0 0 396.443 3.245 20 30 GGEDRN N#Cc1cccc([C@@H](C(=O)[O-])[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000833074169 601312341 /nfs/dbraw/zinc/31/23/41/601312341.db2.gz QKFFQLMRPCOWHF-YJBOKZPZSA-N 0 0 398.850 3.083 20 30 GGEDRN CN(C[C@@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1)C(=O)OC(C)(C)C ZINC000830718367 601313552 /nfs/dbraw/zinc/31/35/52/601313552.db2.gz QLNZDKXWTKPTNK-WMZOPIPTSA-N 0 0 387.480 3.263 20 30 GGEDRN C[C@@H](c1ccc(F)cc1F)N1CC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000827934527 601314837 /nfs/dbraw/zinc/31/48/37/601314837.db2.gz HAFWDIJOXBITHV-XOBRGWDASA-N 0 0 385.414 3.341 20 30 GGEDRN C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000827687007 601316458 /nfs/dbraw/zinc/31/64/58/601316458.db2.gz HYRIOCQRCIDIKU-KBXCAEBGSA-N 0 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CC[C@@](C)(CC(=O)[O-])[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000828656957 601554701 /nfs/dbraw/zinc/55/47/01/601554701.db2.gz BJSNKWFJYARDSO-IBGZPJMESA-N 0 0 377.510 3.450 20 30 GGEDRN CCOc1cccc(C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)c1OC(F)F ZINC000830104680 601643328 /nfs/dbraw/zinc/64/33/28/601643328.db2.gz MHZFFUFDBRTIHT-INIZCTEOSA-N 0 0 376.359 3.474 20 30 GGEDRN Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(CCC(=O)[O-])CC2)ccc1Cl ZINC000832889880 601844564 /nfs/dbraw/zinc/84/45/64/601844564.db2.gz USDZYBMINRJWFK-UHFFFAOYSA-N 0 0 391.899 3.472 20 30 GGEDRN C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000830604437 601858547 /nfs/dbraw/zinc/85/85/47/601858547.db2.gz OHCGUDKIJGDFIG-CSKARUKUSA-N 0 0 394.431 3.132 20 30 GGEDRN COc1cc(C#N)ccc1OCC[N@H+](C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000831860798 601901415 /nfs/dbraw/zinc/90/14/15/601901415.db2.gz CLZPZSMTWUBKFH-SFHVURJKSA-N 0 0 394.349 3.121 20 30 GGEDRN C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727032 601906410 /nfs/dbraw/zinc/90/64/10/601906410.db2.gz GFRBHEUYGQOKCA-SFHVURJKSA-N 0 0 391.349 3.062 20 30 GGEDRN C[C@]1(C(=O)[O-])CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000828024859 601935217 /nfs/dbraw/zinc/93/52/17/601935217.db2.gz YXZWBGDIMOZEIU-IBGZPJMESA-N 0 0 375.494 3.014 20 30 GGEDRN Cc1cc(N(CCC#N)C(=O)C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)ccc1Cl ZINC000832889287 601955795 /nfs/dbraw/zinc/95/57/95/601955795.db2.gz PNTMEZGLWYJETR-CQSZACIVSA-N 0 0 377.872 3.080 20 30 GGEDRN C#CC[NH+]1CCC(C(=O)Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)CC1 ZINC000825614697 602062129 /nfs/dbraw/zinc/06/21/29/602062129.db2.gz VKECKXOCUMMBGW-UHFFFAOYSA-N 0 0 392.455 3.248 20 30 GGEDRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000827687362 602244449 /nfs/dbraw/zinc/24/44/49/602244449.db2.gz KWJGTAJPLZRUHY-BMGDILEWSA-N 0 0 387.480 3.309 20 30 GGEDRN C=CCc1ccccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000823936941 607575879 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GGEDRN COc1cc(OC)cc([C@@H](C(=O)[O-])[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000832040730 604469928 /nfs/dbraw/zinc/46/99/28/604469928.db2.gz IRIDRRYIYQWKEO-NRFANRHFSA-N 0 0 396.443 3.245 20 30 GGEDRN C=CCOc1c(Br)cc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])cc1OC ZINC000263399398 604522192 /nfs/dbraw/zinc/52/21/92/604522192.db2.gz HPDJEMCOCDTQHL-AWEZNQCLSA-N 0 0 384.270 3.462 20 30 GGEDRN C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000263434531 604524058 /nfs/dbraw/zinc/52/40/58/604524058.db2.gz TZUHSWKLJNVMQG-CYBMUJFWSA-N 0 0 384.270 3.319 20 30 GGEDRN C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(SCCC(=O)[O-])c2)CC1 ZINC000833369314 604601457 /nfs/dbraw/zinc/60/14/57/604601457.db2.gz QSSVRONHDUJARD-UHFFFAOYSA-N 0 0 377.510 3.415 20 30 GGEDRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc(C(=O)[O-])c1C#N ZINC000833465586 604615024 /nfs/dbraw/zinc/61/50/24/604615024.db2.gz MRSWQUGLNPPUSE-FQEVSTJZSA-N 0 0 375.469 3.285 20 30 GGEDRN C=CCc1cc(C[N@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)cc(OC)c1O ZINC000833379938 604638287 /nfs/dbraw/zinc/63/82/87/604638287.db2.gz QQAPZLANZRPJQW-UHFFFAOYSA-N 0 0 377.387 3.494 20 30 GGEDRN CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000825972256 607711532 /nfs/dbraw/zinc/71/15/32/607711532.db2.gz YEGFVLPRCCXTNX-GOSISDBHSA-N 0 0 375.436 3.053 20 30 GGEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)c1C#N ZINC000832849598 604746639 /nfs/dbraw/zinc/74/66/39/604746639.db2.gz LBNPAKJMVHFXAB-ZDUSSCGKSA-N 0 0 386.496 3.215 20 30 GGEDRN N#Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCN(CCOc3ccccc3Cl)CC2)cc1 ZINC000833071548 604790943 /nfs/dbraw/zinc/79/09/43/604790943.db2.gz IZJZOJJQVZGUJW-FQEVSTJZSA-N 0 0 399.878 3.034 20 30 GGEDRN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833411069 604951002 /nfs/dbraw/zinc/95/10/02/604951002.db2.gz LGZMBHOBGQWNKI-CHWSQXEVSA-N 0 0 389.521 3.258 20 30 GGEDRN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000833421265 604952733 /nfs/dbraw/zinc/95/27/33/604952733.db2.gz LAMKTVJOLGJWLA-AWEZNQCLSA-N 0 0 377.872 3.363 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)CC1 ZINC000833436558 605018670 /nfs/dbraw/zinc/01/86/70/605018670.db2.gz KLHIPBCYFYMDPM-SFHVURJKSA-N 0 0 399.491 3.407 20 30 GGEDRN C[C@@]1([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)CCCC[C@@H]1C(=O)[O-] ZINC000833571790 605065000 /nfs/dbraw/zinc/06/50/00/605065000.db2.gz IKBIWTBCLNRBAH-VQIMIIECSA-N 0 0 377.872 3.210 20 30 GGEDRN C=CCC[C@H]([NH2+]CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000833373466 605144420 /nfs/dbraw/zinc/14/44/20/605144420.db2.gz PYWDPTYCOJMVMO-SFTDATJTSA-N 0 0 378.472 3.322 20 30 GGEDRN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833436032 605221128 /nfs/dbraw/zinc/22/11/28/605221128.db2.gz BJTQXYUZUKUBFY-SQNIBIBYSA-N 0 0 385.464 3.158 20 30 GGEDRN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833437651 605222151 /nfs/dbraw/zinc/22/21/51/605222151.db2.gz UULGUKHKXGVICO-FGTMMUONSA-N 0 0 385.464 3.158 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000833565779 605364651 /nfs/dbraw/zinc/36/46/51/605364651.db2.gz HURMPJVKQZTHQW-LAUBAEHRSA-N 0 0 387.480 3.311 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC(C)(C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000833566012 605364710 /nfs/dbraw/zinc/36/47/10/605364710.db2.gz MITZHGUJNMFSKF-QGZVFWFLSA-N 0 0 387.480 3.311 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000833565777 605364834 /nfs/dbraw/zinc/36/48/34/605364834.db2.gz HURMPJVKQZTHQW-DYESRHJHSA-N 0 0 387.480 3.311 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000833565666 605365159 /nfs/dbraw/zinc/36/51/59/605365159.db2.gz FEUYFHZULMVDCB-UWJYYQICSA-N 0 0 387.480 3.311 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000833565784 605365274 /nfs/dbraw/zinc/36/52/74/605365274.db2.gz HURMPJVKQZTHQW-UWJYYQICSA-N 0 0 387.480 3.311 20 30 GGEDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C[C@@H]21 ZINC000833439015 605428365 /nfs/dbraw/zinc/42/83/65/605428365.db2.gz NUPDVXFVOQCDPE-FCGDIQPGSA-N 0 0 399.491 3.309 20 30 GGEDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)C[C@@H]21 ZINC000833439027 605428405 /nfs/dbraw/zinc/42/84/05/605428405.db2.gz NUPDVXFVOQCDPE-HCXYKTFWSA-N 0 0 399.491 3.309 20 30 GGEDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)C[C@@H]21 ZINC000833439319 605428631 /nfs/dbraw/zinc/42/86/31/605428631.db2.gz QVIKCUFYRAORNQ-FCGDIQPGSA-N 0 0 399.491 3.309 20 30 GGEDRN C#CC[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1)C(C)C ZINC000819692354 606135068 /nfs/dbraw/zinc/13/50/68/606135068.db2.gz DLAJSDQGDCZJKS-QGZVFWFLSA-N 0 0 377.404 3.259 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000819745528 606158547 /nfs/dbraw/zinc/15/85/47/606158547.db2.gz 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C[C@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1cc2ccccc2o1 ZINC000043865260 1403835268 /nfs/dbraw/zinc/83/52/68/1403835268.db2.gz VQXPUULTRZKAPE-HNNXBMFYSA-N 0 0 375.432 3.292 20 30 GGEDRN CS(=O)(=O)c1cccc(NC(=O)NCCSCc2ccccc2C#N)c1 ZINC000043868995 1403836590 /nfs/dbraw/zinc/83/65/90/1403836590.db2.gz HBLUNHFJWPJBQO-UHFFFAOYSA-N 0 0 389.502 3.017 20 30 GGEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000043880781 1403840188 /nfs/dbraw/zinc/84/01/88/1403840188.db2.gz IYOKRBUVUCORHJ-UHFFFAOYSA-N 0 0 399.357 3.439 20 30 GGEDRN C#Cc1cccc(NC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 ZINC000043985423 1403855555 /nfs/dbraw/zinc/85/55/55/1403855555.db2.gz VWZCUESILLEBLY-UHFFFAOYSA-N 0 0 390.487 3.073 20 30 GGEDRN CCOC(=O)N1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 ZINC000043996583 1403857499 /nfs/dbraw/zinc/85/74/99/1403857499.db2.gz CTUDYTMCECDVDE-UHFFFAOYSA-N 0 0 383.473 3.454 20 30 GGEDRN CCNC(=O)COc1ccc(C/N=C/c2cc(Cl)ccc2O)cc1OC ZINC000044010671 1403858683 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CO/N=C/c1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)cc1 ZINC000044219944 1403902601 /nfs/dbraw/zinc/90/26/01/1403902601.db2.gz FQZBFDXOQIDEPY-OEAKJJBVSA-N 0 0 380.448 3.008 20 30 GGEDRN CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)c1C#N ZINC000044228621 1403904490 /nfs/dbraw/zinc/90/44/90/1403904490.db2.gz JFLATDXFKDZYKD-INIZCTEOSA-N 0 0 380.473 3.048 20 30 GGEDRN COc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc1N1CCCC1=O ZINC000044306689 1403917290 /nfs/dbraw/zinc/91/72/90/1403917290.db2.gz BEUMFYCXXGKAPF-UHFFFAOYSA-N 0 0 378.432 3.358 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1coc(-c2cccs2)n1 ZINC000044349939 1403923218 /nfs/dbraw/zinc/92/32/18/1403923218.db2.gz WHILXCPVKCLKHL-UHFFFAOYSA-N 0 0 383.477 3.379 20 30 GGEDRN N#Cc1ccc(CNC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1 ZINC000044485163 1403937998 /nfs/dbraw/zinc/93/79/98/1403937998.db2.gz MNVOQBYNUAENBQ-UHFFFAOYSA-N 0 0 378.382 3.441 20 30 GGEDRN CC(=O)N(C)CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000044542464 1403946639 /nfs/dbraw/zinc/94/66/39/1403946639.db2.gz XDCDMBNENGUYMK-UHFFFAOYSA-N 0 0 396.394 3.041 20 30 GGEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000044552039 1403949184 /nfs/dbraw/zinc/94/91/84/1403949184.db2.gz SFRKMQQSQHYFIN-YOEHRIQHSA-N 0 0 388.876 3.369 20 30 GGEDRN N#Cc1ccccc1OCC(=O)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000044578599 1403955566 /nfs/dbraw/zinc/95/55/66/1403955566.db2.gz OSSJGGFOWNNSDI-JOCHJYFZSA-N 0 0 385.423 3.433 20 30 GGEDRN CCCC(=O)Nc1ccc(CNC(=O)CCc2c(C)nn(CCC#N)c2C)cc1 ZINC000044597240 1403959902 /nfs/dbraw/zinc/95/99/02/1403959902.db2.gz DSEPTGQHYIVOIO-UHFFFAOYSA-N 0 0 395.507 3.401 20 30 GGEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000044626846 1403965894 /nfs/dbraw/zinc/96/58/94/1403965894.db2.gz BZWHXAXOPSIDAO-HUUCEWRRSA-N 0 0 392.459 3.487 20 30 GGEDRN C[C@H]1CN(Cc2ccccc2CNC(=O)c2cccc(CC#N)c2)C[C@H](C)O1 ZINC000044638297 1403971822 /nfs/dbraw/zinc/97/18/22/1403971822.db2.gz SHCLHUOIZBEQGS-ROUUACIJSA-N 0 0 377.488 3.292 20 30 GGEDRN C=CCc1ccc(OCC(=O)Nc2ccc(NC(C)=O)c(OC)c2)c(OC)c1 ZINC000044771641 1403998563 /nfs/dbraw/zinc/99/85/63/1403998563.db2.gz DJWJIWRQGQRGNL-UHFFFAOYSA-N 0 0 384.432 3.408 20 30 GGEDRN COc1cc(NC(=O)CCCOc2ccc(C#N)cc2OC)ccc1NC(C)=O ZINC000044772930 1403999405 /nfs/dbraw/zinc/99/94/05/1403999405.db2.gz QNJVTLGCBGJVIQ-UHFFFAOYSA-N 0 0 397.431 3.332 20 30 GGEDRN CCCNC(=O)c1cccc(CNC(=O)CSCc2ccc(C#N)cc2)c1 ZINC000044788021 1404001999 /nfs/dbraw/zinc/00/19/99/1404001999.db2.gz QGTAJTTXAJWPLH-UHFFFAOYSA-N 0 0 381.501 3.248 20 30 GGEDRN COc1cc(CC(=O)Nc2nc(C)c(SCC#N)s2)cc(OC)c1OC ZINC000044789171 1404002682 /nfs/dbraw/zinc/00/26/82/1404002682.db2.gz LWAJMUNFHQHYMY-UHFFFAOYSA-N 0 0 393.490 3.274 20 30 GGEDRN Cc1nc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)sc1SCC#N ZINC000044789339 1404002878 /nfs/dbraw/zinc/00/28/78/1404002878.db2.gz OUOGMHQFCPNAKY-UHFFFAOYSA-N 0 0 397.485 3.174 20 30 GGEDRN CCC(=O)Nc1ccc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1 ZINC000044795345 1404003490 /nfs/dbraw/zinc/00/34/90/1404003490.db2.gz GTNFXFOBGIUVAB-UHFFFAOYSA-N 0 0 390.447 3.138 20 30 GGEDRN CC(=O)Nc1cccc(-n2nnnc2S[C@H](C#N)Cc2ccc(C)cc2)c1 ZINC000044837339 1404009802 /nfs/dbraw/zinc/00/98/02/1404009802.db2.gz NTOQVPMUTPHTCM-SFHVURJKSA-N 0 0 378.461 3.156 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(-n3cccc3)c2)cc1 ZINC000044912421 1404019935 /nfs/dbraw/zinc/01/99/35/1404019935.db2.gz OVTJWCJKSNOPGI-UHFFFAOYSA-N 0 0 381.457 3.194 20 30 GGEDRN C=C(C)CN(CC)C(=O)[C@H](C)Sc1nncn1-c1cccc(NC(C)=O)c1 ZINC000044925385 1404022322 /nfs/dbraw/zinc/02/23/22/1404022322.db2.gz FURNPMAFVKXQSE-AWEZNQCLSA-N 0 0 387.509 3.131 20 30 GGEDRN C=CCn1c(N)nnc1SCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000045022948 1404039560 /nfs/dbraw/zinc/03/95/60/1404039560.db2.gz KFYSRRGFRBUHEZ-UHFFFAOYSA-N 0 0 395.488 3.356 20 30 GGEDRN C=CCOc1ccccc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000045054519 1404045462 /nfs/dbraw/zinc/04/54/62/1404045462.db2.gz XERJVKONWPPZBX-UHFFFAOYSA-N 0 0 377.444 3.372 20 30 GGEDRN C=CCOc1ccccc1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000045054704 1404045917 /nfs/dbraw/zinc/04/59/17/1404045917.db2.gz PJUPXFNOROFJCT-UHFFFAOYSA-N 0 0 386.404 3.149 20 30 GGEDRN N#CCc1cccc(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)c1 ZINC000045079919 1404049755 /nfs/dbraw/zinc/04/97/55/1404049755.db2.gz HKUDKDRACNDDAJ-IBGZPJMESA-N 0 0 378.432 3.305 20 30 GGEDRN N#CCc1cccc(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)c1 ZINC000045079920 1404050093 /nfs/dbraw/zinc/05/00/93/1404050093.db2.gz HKUDKDRACNDDAJ-LJQANCHMSA-N 0 0 378.432 3.305 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)[C@H](C)n2nnc(-c3cccc(F)c3)n2)cc1 ZINC000045103213 1404054616 /nfs/dbraw/zinc/05/46/16/1404054616.db2.gz MACGBKGDVOZCJC-HNNXBMFYSA-N 0 0 378.411 3.296 20 30 GGEDRN CS(=O)(=O)c1ccc(OCC(=O)N(CCC#N)c2cccc(Cl)c2)cc1 ZINC000045103038 1404054806 /nfs/dbraw/zinc/05/48/06/1404054806.db2.gz NWVDLISIJSRGFB-UHFFFAOYSA-N 0 0 392.864 3.069 20 30 GGEDRN N#Cc1ccnc(N2CCN(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000045112185 1404055516 /nfs/dbraw/zinc/05/55/16/1404055516.db2.gz BDCCMQIHWRBUSP-UHFFFAOYSA-N 0 0 389.381 3.004 20 30 GGEDRN CC(C)c1ccc(CCNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000045113618 1404055955 /nfs/dbraw/zinc/05/59/55/1404055955.db2.gz DFRYORIBGOSVME-UHFFFAOYSA-N 0 0 377.492 3.151 20 30 GGEDRN C=CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000045159042 1404065849 /nfs/dbraw/zinc/06/58/49/1404065849.db2.gz XSMFWBZERCJSJW-UHFFFAOYSA-N 0 0 386.473 3.288 20 30 GGEDRN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)NC)c1 ZINC000045164107 1404067759 /nfs/dbraw/zinc/06/77/59/1404067759.db2.gz KRDGEYIXXFGDBS-UHFFFAOYSA-N 0 0 398.406 3.446 20 30 GGEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2cccc3ccccc32)cc1 ZINC000045188396 1404071253 /nfs/dbraw/zinc/07/12/53/1404071253.db2.gz WKIAYESIJRLOSY-UHFFFAOYSA-N 0 0 392.480 3.024 20 30 GGEDRN C=CCOc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000045196288 1404072302 /nfs/dbraw/zinc/07/23/02/1404072302.db2.gz ZGBOLNHWDGVBNN-SFHVURJKSA-N 0 0 385.533 3.031 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N(Cc2cccc(F)c2)C2CC2)cc1 ZINC000045198959 1404073265 /nfs/dbraw/zinc/07/32/65/1404073265.db2.gz KWNOXIIPGMGMKC-UHFFFAOYSA-N 0 0 388.464 3.095 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc3ccccc3c2)cc1 ZINC000045201830 1404074525 /nfs/dbraw/zinc/07/45/25/1404074525.db2.gz HHBKUOJGDXEAOH-UHFFFAOYSA-N 0 0 380.469 3.234 20 30 GGEDRN CCOc1ccccc1C(=O)N[C@H](C(=O)NCc1cccc(C#N)c1)C(C)C ZINC000045213471 1404076403 /nfs/dbraw/zinc/07/64/03/1404076403.db2.gz CQYBITNVLHXOPV-FQEVSTJZSA-N 0 0 379.460 3.028 20 30 GGEDRN COc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(C#N)cc3)n2)cc1 ZINC000045218824 1404076427 /nfs/dbraw/zinc/07/64/27/1404076427.db2.gz MNBRACRAEAWVKJ-AWEZNQCLSA-N 0 0 376.416 3.427 20 30 GGEDRN N#Cc1cccc(CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)c1 ZINC000045215113 1404076438 /nfs/dbraw/zinc/07/64/38/1404076438.db2.gz PPZUAVBIGRIKDG-UHFFFAOYSA-N 0 0 383.860 3.473 20 30 GGEDRN COc1ccc(-n2ccnc2SCC(=O)NCc2cccc(C#N)c2)cc1 ZINC000045216911 1404076560 /nfs/dbraw/zinc/07/65/60/1404076560.db2.gz CUMJFRYUTARBMN-UHFFFAOYSA-N 0 0 378.457 3.161 20 30 GGEDRN N#Cc1cccc(CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 ZINC000045215059 1404076613 /nfs/dbraw/zinc/07/66/13/1404076613.db2.gz HAIQPADBMPDEOB-UHFFFAOYSA-N 0 0 391.452 3.289 20 30 GGEDRN COc1cc(C(=O)NCc2cccc(C#N)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000045216054 1404076632 /nfs/dbraw/zinc/07/66/32/1404076632.db2.gz LRGDUAMZOOKYPC-UHFFFAOYSA-N 0 0 377.303 3.006 20 30 GGEDRN Cc1nn(Cc2ccc(C(=O)NCc3cccc(C#N)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000045214843 1404076652 /nfs/dbraw/zinc/07/66/52/1404076652.db2.gz JLASYACJOQXTJY-UHFFFAOYSA-N 0 0 389.415 3.258 20 30 GGEDRN CCOc1ccccc1C(=O)N[C@@H](C(=O)NCc1ccc(C#N)cc1)C(C)C ZINC000045224305 1404077633 /nfs/dbraw/zinc/07/76/33/1404077633.db2.gz PTIKAPAGVPOPKZ-HXUWFJFHSA-N 0 0 379.460 3.028 20 30 GGEDRN CCOc1ccc(C(=O)N[C@@H](C(=O)NCc2ccc(C#N)cc2)C(C)C)cc1 ZINC000045223950 1404077709 /nfs/dbraw/zinc/07/77/09/1404077709.db2.gz WWLZGUNPHDVTAR-HXUWFJFHSA-N 0 0 379.460 3.028 20 30 GGEDRN N#Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000045225010 1404077770 /nfs/dbraw/zinc/07/77/70/1404077770.db2.gz BDSKVKFMOXTZRY-UHFFFAOYSA-N 0 0 397.500 3.053 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000045244108 1404082025 /nfs/dbraw/zinc/08/20/25/1404082025.db2.gz DTFFJHURVQOSPN-UHFFFAOYSA-N 0 0 378.432 3.341 20 30 GGEDRN CCOc1ccc(C(=O)N[C@@H](C(=O)N(C)Cc2cccc(C#N)c2)C(C)C)cc1 ZINC000045244088 1404082074 /nfs/dbraw/zinc/08/20/74/1404082074.db2.gz POJFWEMDBFLPCI-OAQYLSRUSA-N 0 0 393.487 3.370 20 30 GGEDRN COc1cc(C(=O)N(C)Cc2cccc(C#N)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000045246160 1404082350 /nfs/dbraw/zinc/08/23/50/1404082350.db2.gz FPIGOZDJHBXJPU-UHFFFAOYSA-N 0 0 391.330 3.349 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000045247012 1404082678 /nfs/dbraw/zinc/08/26/78/1404082678.db2.gz IVHCFGRZLRVPRW-UHFFFAOYSA-N 0 0 397.500 3.051 20 30 GGEDRN COc1ccc(-c2noc(CCC(=O)N(C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000045250463 1404084008 /nfs/dbraw/zinc/08/40/08/1404084008.db2.gz AWGPZEWQXKBQBI-UHFFFAOYSA-N 0 0 376.416 3.208 20 30 GGEDRN CSCC[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1nnc2ccccn21 ZINC000045258287 1404085566 /nfs/dbraw/zinc/08/55/66/1404085566.db2.gz MACMAYMRFIUMGP-KRWDZBQOSA-N 0 0 394.504 3.237 20 30 GGEDRN CSCC[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1nnc2ccccn21 ZINC000045258291 1404085725 /nfs/dbraw/zinc/08/57/25/1404085725.db2.gz MACMAYMRFIUMGP-QGZVFWFLSA-N 0 0 394.504 3.237 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000045264808 1404088393 /nfs/dbraw/zinc/08/83/93/1404088393.db2.gz JBVLUACRBLXZQY-LJQANCHMSA-N 0 0 377.423 3.362 20 30 GGEDRN C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2F)ccc1F ZINC000045270983 1404090070 /nfs/dbraw/zinc/09/00/70/1404090070.db2.gz HULAPLPZUJBPHJ-UHFFFAOYSA-N 0 0 386.807 3.335 20 30 GGEDRN C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2OCCC)ccc1F ZINC000045307893 1404095482 /nfs/dbraw/zinc/09/54/82/1404095482.db2.gz PVXBSZHOLHEGND-UHFFFAOYSA-N 0 0 392.452 3.331 20 30 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GGEDRN COc1cc(C#N)cc(Cl)c1OCC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000045734014 1404189210 /nfs/dbraw/zinc/18/92/10/1404189210.db2.gz DRNQQGZDSPOBTP-UHFFFAOYSA-N 0 0 399.834 3.365 20 30 GGEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Sc1nncn1C ZINC000045738029 1404190797 /nfs/dbraw/zinc/19/07/97/1404190797.db2.gz BFZVCRSZFATHMO-ZDUSSCGKSA-N 0 0 394.460 3.302 20 30 GGEDRN Cc1nccc(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)n1 ZINC000056633038 1407387061 /nfs/dbraw/zinc/38/70/61/1407387061.db2.gz UYDAXFMIONRZDC-UHFFFAOYSA-N 0 0 397.489 3.122 20 30 GGEDRN C[C@@H](Sc1nncn1C)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000045756816 1404196062 /nfs/dbraw/zinc/19/60/62/1404196062.db2.gz REFFBEQFLDRHRY-CQSZACIVSA-N 0 0 393.472 3.385 20 30 GGEDRN N#Cc1ccc(CSc2nnc(NC(=O)NC[C@H]3CCCOC3)s2)cc1 ZINC000056633030 1407387467 /nfs/dbraw/zinc/38/74/67/1407387467.db2.gz TXBFECMRTPXEHK-CQSZACIVSA-N 0 0 389.506 3.250 20 30 GGEDRN C=CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)Cc1ccccc1 ZINC000045796757 1404207101 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3.336 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000045876506 1404231455 /nfs/dbraw/zinc/23/14/55/1404231455.db2.gz DCCGZMNKIRLETJ-GOSISDBHSA-N 0 0 380.492 3.205 20 30 GGEDRN CCCCOc1cccc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000045884480 1404234726 /nfs/dbraw/zinc/23/47/26/1404234726.db2.gz AYXTXPMYVNDRLR-UHFFFAOYSA-N 0 0 393.491 3.164 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)c1 ZINC000045906085 1404240368 /nfs/dbraw/zinc/24/03/68/1404240368.db2.gz OOANWZPBAMSCLK-IPELMVKDSA-N 0 0 376.522 3.192 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccnc(OCC(F)(F)F)c1 ZINC000045936403 1404246797 /nfs/dbraw/zinc/24/67/97/1404246797.db2.gz IUCAESJBPDZYSZ-UHFFFAOYSA-N 0 0 378.354 3.236 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)NCc1ccnc(OCC(F)(F)F)c1 ZINC000045936386 1404246948 /nfs/dbraw/zinc/24/69/48/1404246948.db2.gz VNACZMYAGGHATN-UHFFFAOYSA-N 0 0 378.354 3.236 20 30 GGEDRN C=CCOc1cccc(NC(=O)NC[C@H](c2ccccc2)N2CCOCC2)c1 ZINC000056643227 1407391315 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COc1ccccc1CN(C[C@H]1CCCO1)C(=O)NCc1ccc(C#N)cc1 ZINC000046044436 1404282824 /nfs/dbraw/zinc/28/28/24/1404282824.db2.gz CPGSVWQBKAXLDV-HXUWFJFHSA-N 0 0 379.460 3.458 20 30 GGEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)Nc1ccc(F)cc1F ZINC000046062423 1404286934 /nfs/dbraw/zinc/28/69/34/1404286934.db2.gz FLDPREKLOMKVNV-UHFFFAOYSA-N 0 0 396.401 3.359 20 30 GGEDRN COc1cccc(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1 ZINC000046062468 1404286979 /nfs/dbraw/zinc/28/69/79/1404286979.db2.gz OLPRNNDPIPCNHZ-UHFFFAOYSA-N 0 0 390.447 3.089 20 30 GGEDRN CCOc1ccccc1NC(=O)CN1CCCN(c2ccccc2C#N)CC1 ZINC000046087092 1404292718 /nfs/dbraw/zinc/29/27/18/1404292718.db2.gz YLFGKSCAZCQBEH-UHFFFAOYSA-N 0 0 378.476 3.108 20 30 GGEDRN CSc1cccc(NC(=O)CN2CCCN(c3ccccc3C#N)CC2)c1 ZINC000046086359 1404292883 /nfs/dbraw/zinc/29/28/83/1404292883.db2.gz RDRWZVYPEAVOTL-UHFFFAOYSA-N 0 0 380.517 3.431 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 ZINC000046103033 1404295876 /nfs/dbraw/zinc/29/58/76/1404295876.db2.gz QRQQNDZXMUSSIQ-RTBURBONSA-N 0 0 388.464 3.374 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1 ZINC000046103308 1404295898 /nfs/dbraw/zinc/29/58/98/1404295898.db2.gz AHVKFTDRPWKALH-UHFFFAOYSA-N 0 0 388.489 3.127 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCc2ccccc2OC)cc1 ZINC000046103751 1404295958 /nfs/dbraw/zinc/29/59/58/1404295958.db2.gz WDTLNECYOUVCDH-UHFFFAOYSA-N 0 0 388.489 3.073 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 ZINC000046102318 1404296008 /nfs/dbraw/zinc/29/60/08/1404296008.db2.gz FECRGVJZDDDPBD-INIZCTEOSA-N 0 0 388.489 3.208 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc3ncsc3c2)cc1 ZINC000046102551 1404296029 /nfs/dbraw/zinc/29/60/29/1404296029.db2.gz XDOZEGGMOILJJK-UHFFFAOYSA-N 0 0 387.486 3.355 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc(CC)cc2)cc1 ZINC000046103235 1404296320 /nfs/dbraw/zinc/29/63/20/1404296320.db2.gz YJYNFBVBGNHVQJ-UHFFFAOYSA-N 0 0 388.489 3.073 20 30 GGEDRN CN(C)c1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cn1 ZINC000046128695 1404307598 /nfs/dbraw/zinc/30/75/98/1404307598.db2.gz KOXLSIIBZVQVPE-UHFFFAOYSA-N 0 0 396.501 3.415 20 30 GGEDRN CCOc1cc(C#N)ccc1OC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000046148144 1404311301 /nfs/dbraw/zinc/31/13/01/1404311301.db2.gz GABCZRHBCTZXEW-IBGZPJMESA-N 0 0 392.455 3.344 20 30 GGEDRN COc1ccc(NC(=O)c2ccc(NCC(=O)N[C@](C)(C#N)C3CC3)cc2)cc1 ZINC000046169922 1404318372 /nfs/dbraw/zinc/31/83/72/1404318372.db2.gz NKNFEGHVJTYBHY-JOCHJYFZSA-N 0 0 392.459 3.168 20 30 GGEDRN CN(CC(=O)Nc1cccc(C#Cc2ccccn2)c1)C(=O)c1cccs1 ZINC000046194633 1404327633 /nfs/dbraw/zinc/32/76/33/1404327633.db2.gz OHMZIFRVFJJZQM-UHFFFAOYSA-N 0 0 375.453 3.254 20 30 GGEDRN COc1ccc(CSCC(=O)N(C)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000046212247 1404332762 /nfs/dbraw/zinc/33/27/62/1404332762.db2.gz STAPYXWMNVRESN-UHFFFAOYSA-N 0 0 385.445 3.367 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000046210743 1404332961 /nfs/dbraw/zinc/33/29/61/1404332961.db2.gz KWOZAJMGWSDYRO-CQSZACIVSA-N 0 0 393.443 3.098 20 30 GGEDRN COc1ccc(CSCC(=O)N(C)Cc2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000046211491 1404333004 /nfs/dbraw/zinc/33/30/04/1404333004.db2.gz NBHXODWXSNGGEJ-UHFFFAOYSA-N 0 0 385.445 3.367 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2cnn(C)c2C)cc1 ZINC000056662585 1407397175 /nfs/dbraw/zinc/39/71/75/1407397175.db2.gz UMRDWVDQORUUPY-HNNXBMFYSA-N 0 0 381.480 3.425 20 30 GGEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000046237724 1404341184 /nfs/dbraw/zinc/34/11/84/1404341184.db2.gz HNEYCTZXDZNXCY-IBGZPJMESA-N 0 0 381.435 3.473 20 30 GGEDRN CCNC(=O)c1ccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 ZINC000046252665 1404346035 /nfs/dbraw/zinc/34/60/35/1404346035.db2.gz FFVNBWPFNWHBHG-UHFFFAOYSA-N 0 0 382.489 3.359 20 30 GGEDRN C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000046337069 1404369290 /nfs/dbraw/zinc/36/92/90/1404369290.db2.gz WLAVHLCHNMFNMV-INIZCTEOSA-N 0 0 394.471 3.400 20 30 GGEDRN C[C@H]1CN(Cc2ccccc2NC(=O)COc2ccccc2C#N)C[C@H](C)O1 ZINC000046344026 1404372723 /nfs/dbraw/zinc/37/27/23/1404372723.db2.gz LIHQQKKFZZLIGR-IRXDYDNUSA-N 0 0 379.460 3.185 20 30 GGEDRN C[C@@H]1CN(Cc2ccccc2NC(=O)COc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000046344010 1404373279 /nfs/dbraw/zinc/37/32/79/1404373279.db2.gz ITMPYEUXISSEKB-CALCHBBNSA-N 0 0 379.460 3.185 20 30 GGEDRN C[C@@H]1CN(Cc2ccccc2NC(=O)COc2ccccc2C#N)C[C@@H](C)O1 ZINC000046344029 1404373783 /nfs/dbraw/zinc/37/37/83/1404373783.db2.gz LIHQQKKFZZLIGR-IAGOWNOFSA-N 0 0 379.460 3.185 20 30 GGEDRN N#CCc1ccc(OCc2cccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c2)cc1 ZINC000046346840 1404377118 /nfs/dbraw/zinc/37/71/18/1404377118.db2.gz MCGODCWWXWBNOM-UHFFFAOYSA-N 0 0 391.387 3.075 20 30 GGEDRN COc1ccc(F)cc1[C@@H](C)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000046403142 1404399816 /nfs/dbraw/zinc/39/98/16/1404399816.db2.gz LJPLDFSXOZTNMK-CYBMUJFWSA-N 0 0 395.438 3.176 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000046432984 1404411995 /nfs/dbraw/zinc/41/19/95/1404411995.db2.gz GQLARYWNBOEZLV-UHFFFAOYSA-N 0 0 378.392 3.006 20 30 GGEDRN COc1ccc(C)cc1[C@H](C)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000046434698 1404413738 /nfs/dbraw/zinc/41/37/38/1404413738.db2.gz BIUVTQQKTMJFAJ-HNNXBMFYSA-N 0 0 391.475 3.345 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000046436050 1404413929 /nfs/dbraw/zinc/41/39/29/1404413929.db2.gz FECKZFWGOIRVKL-FQEVSTJZSA-N 0 0 387.487 3.384 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000046436049 1404413933 /nfs/dbraw/zinc/41/39/33/1404413933.db2.gz FECKZFWGOIRVKL-HXUWFJFHSA-N 0 0 387.487 3.384 20 30 GGEDRN COc1ccc(CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)c(OC)c1 ZINC000046436862 1404415066 /nfs/dbraw/zinc/41/50/66/1404415066.db2.gz BDVNIZSDBKBRSW-UHFFFAOYSA-N 0 0 385.489 3.304 20 30 GGEDRN N#C[C@@H](C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)c1ccccn1 ZINC000046439408 1404415790 /nfs/dbraw/zinc/41/57/90/1404415790.db2.gz CRQXCZKRPRIKOG-GOSISDBHSA-N 0 0 383.407 3.487 20 30 GGEDRN COC(=O)c1ccc(CN(C)C(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 ZINC000046437504 1404415819 /nfs/dbraw/zinc/41/58/19/1404415819.db2.gz NSHDQDOGZFXAQS-UHFFFAOYSA-N 0 0 397.500 3.416 20 30 GGEDRN N#C[C@H](C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)c1ccccn1 ZINC000046439409 1404415993 /nfs/dbraw/zinc/41/59/93/1404415993.db2.gz CRQXCZKRPRIKOG-SFHVURJKSA-N 0 0 383.407 3.487 20 30 GGEDRN COc1cc(CCC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000046440858 1404416751 /nfs/dbraw/zinc/41/67/51/1404416751.db2.gz KCQDXHKJFBOVEL-CQSZACIVSA-N 0 0 379.416 3.398 20 30 GGEDRN COc1ccc(Oc2cc(CNC(=O)COc3ccccc3C#N)ccn2)cc1 ZINC000046458216 1404426285 /nfs/dbraw/zinc/42/62/85/1404426285.db2.gz LMJCOXRCZJKIAV-UHFFFAOYSA-N 0 0 389.411 3.449 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000046458565 1404426375 /nfs/dbraw/zinc/42/63/75/1404426375.db2.gz OENNBTZNPKWMBE-FQEVSTJZSA-N 0 0 376.460 3.063 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000046458566 1404426467 /nfs/dbraw/zinc/42/64/67/1404426467.db2.gz OENNBTZNPKWMBE-HXUWFJFHSA-N 0 0 376.460 3.063 20 30 GGEDRN C[C@H](NC(=O)N1CCC(NC(=O)c2ccsc2)CC1)c1ccc(C#N)cc1 ZINC000056712904 1407404943 /nfs/dbraw/zinc/40/49/43/1407404943.db2.gz JUYSISPNGPLZHL-AWEZNQCLSA-N 0 0 382.489 3.285 20 30 GGEDRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN(C)Cc2cccc(C#N)c2)c1 ZINC000046518156 1404457507 /nfs/dbraw/zinc/45/75/07/1404457507.db2.gz CBCHNHNNXLNVSD-NRFANRHFSA-N 0 0 393.487 3.371 20 30 GGEDRN C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2OCC)ccc1F ZINC000046520358 1404458985 /nfs/dbraw/zinc/45/89/85/1404458985.db2.gz GZHNOMJPDCZNIQ-UHFFFAOYSA-N 0 0 396.415 3.080 20 30 GGEDRN COc1ccc(NC(=O)c2nnc(CN(C)Cc3cccc(C#N)c3)s2)cc1 ZINC000046518890 1404458994 /nfs/dbraw/zinc/45/89/94/1404458994.db2.gz CTJJMVSNTHQIQA-UHFFFAOYSA-N 0 0 393.472 3.303 20 30 GGEDRN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N(C)Cc2cccc(C#N)c2)c1 ZINC000046518520 1404459078 /nfs/dbraw/zinc/45/90/78/1404459078.db2.gz RBWCIQDSKNINTB-JKSUJKDBSA-N 0 0 381.476 3.273 20 30 GGEDRN C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N(C)Cc1ccc(C#N)cc1 ZINC000046527423 1404464686 /nfs/dbraw/zinc/46/46/86/1404464686.db2.gz MMXLWNKNKMMHNK-BVCRMZGFSA-N 0 0 394.519 3.173 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000046538850 1404469557 /nfs/dbraw/zinc/46/95/57/1404469557.db2.gz INQDUNKISQZMDV-JOCHJYFZSA-N 0 0 386.455 3.097 20 30 GGEDRN CCOc1cc(CNC(=O)COc2ccc(C#N)cc2)ccc1OC(F)F ZINC000046610200 1404507340 /nfs/dbraw/zinc/50/73/40/1404507340.db2.gz FSUJOQKNFOPAEB-UHFFFAOYSA-N 0 0 376.359 3.254 20 30 GGEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1 ZINC000046623054 1404516398 /nfs/dbraw/zinc/51/63/98/1404516398.db2.gz MPKMFMGMUHHOPY-UHFFFAOYSA-N 0 0 384.867 3.358 20 30 GGEDRN COc1cc([C@H](C)NC(=O)N(C)Cc2cccc(C#N)c2)cc(OC)c1OC ZINC000046628482 1404518969 /nfs/dbraw/zinc/51/89/69/1404518969.db2.gz GEMZYPKWTFEKBG-AWEZNQCLSA-N 0 0 383.448 3.487 20 30 GGEDRN CCNC(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc(SC)c2C#N)cc1 ZINC000046638478 1404523973 /nfs/dbraw/zinc/52/39/73/1404523973.db2.gz ONQZKFCMONVTFO-UHFFFAOYSA-N 0 0 394.500 3.232 20 30 GGEDRN C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000046646923 1404529487 /nfs/dbraw/zinc/52/94/87/1404529487.db2.gz VFLMFYSSHKWXCQ-CQSZACIVSA-N 0 0 378.432 3.098 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(Cc2cscn2)CC1 ZINC000056730267 1407411252 /nfs/dbraw/zinc/41/12/52/1407411252.db2.gz DRSGOWLKXZRVIJ-UHFFFAOYSA-N 0 0 385.493 3.152 20 30 GGEDRN CC(C)Oc1ccccc1[C@@H](C)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000046648556 1404532378 /nfs/dbraw/zinc/53/23/78/1404532378.db2.gz RMZYGJHBOMZBMY-QGZVFWFLSA-N 0 0 393.491 3.333 20 30 GGEDRN C=CCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)cc1 ZINC000046649169 1404533248 /nfs/dbraw/zinc/53/32/48/1404533248.db2.gz FFVGSTAUKWVZKP-UHFFFAOYSA-N 0 0 394.471 3.167 20 30 GGEDRN Cc1c2ccccc2oc1[C@@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000046650921 1404534212 /nfs/dbraw/zinc/53/42/12/1404534212.db2.gz XCAUHLAMQNNPHF-OAHLLOKOSA-N 0 0 396.468 3.405 20 30 GGEDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000046650923 1404534623 /nfs/dbraw/zinc/53/46/23/1404534623.db2.gz XCAUHLAMQNNPHF-HNNXBMFYSA-N 0 0 396.468 3.405 20 30 GGEDRN Cc1oc(C)c(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c1C ZINC000046680369 1404549472 /nfs/dbraw/zinc/54/94/72/1404549472.db2.gz ZFLUYIABDMFOBL-UHFFFAOYSA-N 0 0 395.438 3.346 20 30 GGEDRN COC(=O)C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000046693401 1404554660 /nfs/dbraw/zinc/55/46/60/1404554660.db2.gz WSGSRFOKPRMSLC-INIZCTEOSA-N 0 0 392.333 3.491 20 30 GGEDRN Cc1cccc(OCC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 ZINC000046707151 1404559530 /nfs/dbraw/zinc/55/95/30/1404559530.db2.gz AOPIUNBWBAKOTJ-OAHLLOKOSA-N 0 0 393.468 3.427 20 30 GGEDRN Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000046707258 1404559545 /nfs/dbraw/zinc/55/95/45/1404559545.db2.gz UFQYRSKIDGNQJU-OAHLLOKOSA-N 0 0 393.468 3.427 20 30 GGEDRN N#C[C@@H](C(=O)c1ccc2c(c1)OCO2)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000046707026 1404559626 /nfs/dbraw/zinc/55/96/26/1404559626.db2.gz HOBQYFTZYLVJJW-LBPRGKRZSA-N 0 0 393.424 3.494 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000046725140 1404568758 /nfs/dbraw/zinc/56/87/58/1404568758.db2.gz UUVCWNMSDADTAV-UHFFFAOYSA-N 0 0 395.850 3.274 20 30 GGEDRN CC(C)(C)c1nnc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000056736425 1407414418 /nfs/dbraw/zinc/41/44/18/1407414418.db2.gz QUQUQXUZCGJMQV-UHFFFAOYSA-N 0 0 384.509 3.057 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000046754865 1404578853 /nfs/dbraw/zinc/57/88/53/1404578853.db2.gz QBETWDYAXRLXFQ-NRFANRHFSA-N 0 0 398.434 3.465 20 30 GGEDRN COc1ccc(NC(C)=O)cc1NC(=O)CCCOc1ccc(C#N)cc1OC ZINC000046757908 1404579394 /nfs/dbraw/zinc/57/93/94/1404579394.db2.gz GBFPAVMGKUTAAT-UHFFFAOYSA-N 0 0 397.431 3.332 20 30 GGEDRN COC(=O)c1ccc(C)c(NC(=O)CCCOc2ccc(C#N)cc2OC)c1 ZINC000046760463 1404581014 /nfs/dbraw/zinc/58/10/14/1404581014.db2.gz XRKPLGRUSBYJFO-UHFFFAOYSA-N 0 0 382.416 3.460 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(NC(C)=O)ccc1F ZINC000046764938 1404582411 /nfs/dbraw/zinc/58/24/11/1404582411.db2.gz LOYYMEVQMMOTFP-UHFFFAOYSA-N 0 0 385.395 3.462 20 30 GGEDRN CC(C)(C)c1nnc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000056737590 1407415000 /nfs/dbraw/zinc/41/50/00/1407415000.db2.gz UWZUUKPPWXDENH-UHFFFAOYSA-N 0 0 398.536 3.447 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000046780575 1404587212 /nfs/dbraw/zinc/58/72/12/1404587212.db2.gz DJYKPVHYQSNJGC-LJQANCHMSA-N 0 0 393.487 3.369 20 30 GGEDRN COCCOc1ccc(CNC(=O)CCCOc2ccc(C#N)cc2OC)cc1 ZINC000046788757 1404590068 /nfs/dbraw/zinc/59/00/68/1404590068.db2.gz SGAGEMDJKCEWMW-UHFFFAOYSA-N 0 0 398.459 3.067 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](C)N1CCc2ccccc21 ZINC000046787550 1404590516 /nfs/dbraw/zinc/59/05/16/1404590516.db2.gz RTUYNWRDHQNVNG-QGZVFWFLSA-N 0 0 393.487 3.293 20 30 GGEDRN COc1ccc(CCNC(=O)CCCOc2ccc(C#N)cc2OC)cc1OC ZINC000046795250 1404592315 /nfs/dbraw/zinc/59/23/15/1404592315.db2.gz BZWCRIKHRAZHLW-UHFFFAOYSA-N 0 0 398.459 3.102 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000046795093 1404592493 /nfs/dbraw/zinc/59/24/93/1404592493.db2.gz UTMVEZXMHSXRPM-UHFFFAOYSA-N 0 0 376.464 3.230 20 30 GGEDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000046809342 1404597886 /nfs/dbraw/zinc/59/78/86/1404597886.db2.gz JTMGQXZMTDMSEK-UHFFFAOYSA-N 0 0 380.282 3.363 20 30 GGEDRN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 ZINC000046809371 1404598467 /nfs/dbraw/zinc/59/84/67/1404598467.db2.gz NTVXBPQSGWZUDN-UHFFFAOYSA-N 0 0 398.362 3.155 20 30 GGEDRN C=CCOc1ccc(C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)cc1OC ZINC000046815147 1404599781 /nfs/dbraw/zinc/59/97/81/1404599781.db2.gz HMPNHIGWCBUDMT-UHFFFAOYSA-N 0 0 391.427 3.168 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OCCOC)nc1 ZINC000046817257 1404601002 /nfs/dbraw/zinc/60/10/02/1404601002.db2.gz DAARXQYWRFVWPJ-UHFFFAOYSA-N 0 0 382.464 3.100 20 30 GGEDRN C=CCOc1ccccc1C(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000046821690 1404604184 /nfs/dbraw/zinc/60/41/84/1404604184.db2.gz AJDWBCRSDORYAF-KRWDZBQOSA-N 0 0 379.460 3.446 20 30 GGEDRN CCOCCOCc1cccc(CNC(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC000046828663 1404605853 /nfs/dbraw/zinc/60/58/53/1404605853.db2.gz FUBUXYAELPYGRY-UHFFFAOYSA-N 0 0 381.476 3.453 20 30 GGEDRN CCCOc1ccc(N2C(=O)C[C@@H](N(C)Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000046834551 1404607695 /nfs/dbraw/zinc/60/76/95/1404607695.db2.gz JMJVNGRKYCHPSO-HXUWFJFHSA-N 0 0 377.444 3.111 20 30 GGEDRN Cc1ccnn1-c1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000046850093 1404610808 /nfs/dbraw/zinc/61/08/08/1404610808.db2.gz WPIHBFXWBITCJQ-UHFFFAOYSA-N 0 0 385.471 3.405 20 30 GGEDRN N#Cc1ccccc1N1CCCN(C(=O)Cc2coc(-c3ccccc3)n2)CC1 ZINC000046851482 1404610902 /nfs/dbraw/zinc/61/09/02/1404610902.db2.gz YICPIMQJJYZSHK-UHFFFAOYSA-N 0 0 386.455 3.495 20 30 GGEDRN Cc1nn(C)c2sc(C(=O)N3CCCN(c4ccccc4C#N)CC3)cc12 ZINC000046850340 1404611211 /nfs/dbraw/zinc/61/12/11/1404611211.db2.gz WNZJWZMDWBIBHF-UHFFFAOYSA-N 0 0 379.489 3.167 20 30 GGEDRN N#Cc1ccc(CSCC(=O)NCCc2ccc(-n3cccn3)cc2)cc1 ZINC000046865982 1404617633 /nfs/dbraw/zinc/61/76/33/1404617633.db2.gz OMLNGHLQXLFGOA-UHFFFAOYSA-N 0 0 376.485 3.336 20 30 GGEDRN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000046881180 1404622271 /nfs/dbraw/zinc/62/22/71/1404622271.db2.gz HMVPZUCWGDIPTO-UHFFFAOYSA-N 0 0 394.475 3.338 20 30 GGEDRN COc1ccc(CNC(=O)CCCOc2ccc(C#N)cc2OC)c(OC)c1 ZINC000046879678 1404622408 /nfs/dbraw/zinc/62/24/08/1404622408.db2.gz SEQXUVMUWULGHN-UHFFFAOYSA-N 0 0 384.432 3.059 20 30 GGEDRN CCOCc1ccccc1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000046891801 1404623991 /nfs/dbraw/zinc/62/39/91/1404623991.db2.gz JNBDQWLVLWNYMK-UHFFFAOYSA-N 0 0 392.503 3.122 20 30 GGEDRN O=C(NCC#Cc1ccccc1)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000046892488 1404625044 /nfs/dbraw/zinc/62/50/44/1404625044.db2.gz ZHLKCXVCCHWZDG-OAQYLSRUSA-N 0 0 397.906 3.064 20 30 GGEDRN N#Cc1ccc(CSCC(=O)NCc2ccccc2Cn2cccn2)cc1 ZINC000046910286 1404632085 /nfs/dbraw/zinc/63/20/85/1404632085.db2.gz WQOUHEHVGQOWFF-UHFFFAOYSA-N 0 0 376.485 3.353 20 30 GGEDRN COc1cc([C@H](C)NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc(OC)c1OC ZINC000046923539 1404636886 /nfs/dbraw/zinc/63/68/86/1404636886.db2.gz OAOSPZDTIAKUAK-KBPBESRZSA-N 0 0 384.432 3.229 20 30 GGEDRN CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000046933514 1404639995 /nfs/dbraw/zinc/63/99/95/1404639995.db2.gz JNPXFACQYGMRTK-UHFFFAOYSA-N 0 0 398.362 3.155 20 30 GGEDRN Cc1ccsc1CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N ZINC000046987632 1404662293 /nfs/dbraw/zinc/66/22/93/1404662293.db2.gz QVUBQBPALCUXJS-UHFFFAOYSA-N 0 0 394.504 3.128 20 30 GGEDRN C[C@H]1CCC[C@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC000047035304 1404682633 /nfs/dbraw/zinc/68/26/33/1404682633.db2.gz JMZXTMJYILKDTM-GJZGRUSLSA-N 0 0 383.452 3.217 20 30 GGEDRN C[C@@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000047051370 1404687512 /nfs/dbraw/zinc/68/75/12/1404687512.db2.gz HIYLTMKJRCEHGE-MRXNPFEDSA-N 0 0 376.460 3.223 20 30 GGEDRN C[C@@H](NC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC000047052024 1404688192 /nfs/dbraw/zinc/68/81/92/1404688192.db2.gz CZURSIBLTVXUEI-OAHLLOKOSA-N 0 0 394.450 3.362 20 30 GGEDRN C[C@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(C#N)cc1 ZINC000047052414 1404688206 /nfs/dbraw/zinc/68/82/06/1404688206.db2.gz GHJXTMXSMKEAAS-HNNXBMFYSA-N 0 0 379.420 3.059 20 30 GGEDRN C[C@H](NC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC000047052023 1404688392 /nfs/dbraw/zinc/68/83/92/1404688392.db2.gz CZURSIBLTVXUEI-HNNXBMFYSA-N 0 0 394.450 3.362 20 30 GGEDRN C[C@H](NC(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1)c1ccc(C#N)cc1 ZINC000047052009 1404688735 /nfs/dbraw/zinc/68/87/35/1404688735.db2.gz WDCDCPPQRRIROX-HNNXBMFYSA-N 0 0 376.460 3.353 20 30 GGEDRN COc1ccc(CN2CCN(C(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)cc1F ZINC000047053024 1404689949 /nfs/dbraw/zinc/68/99/49/1404689949.db2.gz OKLCJZQXWRKVSV-MRXNPFEDSA-N 0 0 396.466 3.294 20 30 GGEDRN COc1ccc(CN2CCN(C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)cc1F ZINC000047053023 1404690004 /nfs/dbraw/zinc/69/00/04/1404690004.db2.gz OKLCJZQXWRKVSV-INIZCTEOSA-N 0 0 396.466 3.294 20 30 GGEDRN O=C(Cc1csc(NC(=O)c2ccccc2F)n1)NCC#Cc1ccccc1 ZINC000047074223 1404697041 /nfs/dbraw/zinc/69/70/41/1404697041.db2.gz QSFOWFUCJQENDX-UHFFFAOYSA-N 0 0 393.443 3.245 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ncc(-c2ccccc2)o1 ZINC000047092273 1404703970 /nfs/dbraw/zinc/70/39/70/1404703970.db2.gz ZVIVOPLPRMSSSY-UHFFFAOYSA-N 0 0 377.448 3.318 20 30 GGEDRN Cc1cccc(C)c1OCCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000047126097 1404714508 /nfs/dbraw/zinc/71/45/08/1404714508.db2.gz ZQPWJPHVJHQJCP-UHFFFAOYSA-N 0 0 396.466 3.225 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)NCCOc1ccc2c(c1)OCO2 ZINC000047130386 1404716640 /nfs/dbraw/zinc/71/66/40/1404716640.db2.gz QPDKLMWTUMMGIN-UHFFFAOYSA-N 0 0 381.432 3.288 20 30 GGEDRN N#Cc1ccccc1N1CCCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000047139795 1404719549 /nfs/dbraw/zinc/71/95/49/1404719549.db2.gz VOBLSURFTLASJL-UHFFFAOYSA-N 0 0 388.471 3.038 20 30 GGEDRN Cc1c(C(=O)N2CCCN(c3ccccc3C#N)CC2)[nH]c2c1C(=O)CCC2 ZINC000047139449 1404719875 /nfs/dbraw/zinc/71/98/75/1404719875.db2.gz CUSRSWMUMIPGMN-UHFFFAOYSA-N 0 0 376.460 3.066 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccco3)cs2)cc1 ZINC000047180751 1404735053 /nfs/dbraw/zinc/73/50/53/1404735053.db2.gz VQAJVPHZMRLVLD-UHFFFAOYSA-N 0 0 389.458 3.120 20 30 GGEDRN N#Cc1ccccc1Sc1ccccc1C(=O)NCC(=O)NCC(F)(F)F ZINC000047179594 1404735245 /nfs/dbraw/zinc/73/52/45/1404735245.db2.gz BSFKNEYXYLLBMT-UHFFFAOYSA-N 0 0 393.390 3.118 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000047184794 1404737149 /nfs/dbraw/zinc/73/71/49/1404737149.db2.gz YIZROWWNGQFCFM-UHFFFAOYSA-N 0 0 394.349 3.203 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2csc(-c3ccc(C)o3)n2)c1 ZINC000047194338 1404742227 /nfs/dbraw/zinc/74/22/27/1404742227.db2.gz UHRCLVNKQMAOPN-UHFFFAOYSA-N 0 0 393.468 3.332 20 30 GGEDRN N#Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)cc1 ZINC000047225396 1404753848 /nfs/dbraw/zinc/75/38/48/1404753848.db2.gz ZKFYCBZZTAWRTR-UHFFFAOYSA-N 0 0 383.835 3.465 20 30 GGEDRN N#Cc1ccc(OCC(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1 ZINC000047235887 1404761737 /nfs/dbraw/zinc/76/17/37/1404761737.db2.gz NWRFHVNVZAOIRT-JOCHJYFZSA-N 0 0 385.423 3.433 20 30 GGEDRN Cc1nc(-c2ncccn2)sc1C(=O)NCCSCc1ccccc1C#N ZINC000047245492 1404765751 /nfs/dbraw/zinc/76/57/51/1404765751.db2.gz RUSHYEBKHYWGNB-UHFFFAOYSA-N 0 0 395.513 3.443 20 30 GGEDRN N#Cc1cccnc1NCCNC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000047253118 1404769748 /nfs/dbraw/zinc/76/97/48/1404769748.db2.gz KTCZWQARNTVBHR-UHFFFAOYSA-N 0 0 391.456 3.109 20 30 GGEDRN CCCNC(=O)c1cccc(NCC(=O)Nc2ccccc2SCC#N)c1 ZINC000047272990 1404780408 /nfs/dbraw/zinc/78/04/08/1404780408.db2.gz BBIVGODVOBRCRB-UHFFFAOYSA-N 0 0 382.489 3.493 20 30 GGEDRN CC[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1OCC(=O)N(C)C ZINC000047338075 1404810907 /nfs/dbraw/zinc/81/09/07/1404810907.db2.gz PZBNBPKBBUYFTK-SFHVURJKSA-N 0 0 380.448 3.298 20 30 GGEDRN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2coc(-c3cccc(F)c3)n2)C1=O ZINC000047347299 1404812184 /nfs/dbraw/zinc/81/21/84/1404812184.db2.gz QCERDPRAWXDPQB-NRFANRHFSA-N 0 0 390.374 3.320 20 30 GGEDRN Cn1c(CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)nc2cc(Cl)ccc21 ZINC000047347506 1404812218 /nfs/dbraw/zinc/81/22/18/1404812218.db2.gz HXRJMIHKUMIJGR-FQEVSTJZSA-N 0 0 393.834 3.066 20 30 GGEDRN C[C@]1(c2cc3ccccc3o2)NC(=O)N(CCOc2ccccc2C#N)C1=O ZINC000047354304 1404814280 /nfs/dbraw/zinc/81/42/80/1404814280.db2.gz BRYPUFOZPDIMFC-OAQYLSRUSA-N 0 0 375.384 3.150 20 30 GGEDRN C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CCOc2cccc(C#N)c2)C1=O ZINC000047354297 1404814292 /nfs/dbraw/zinc/81/42/92/1404814292.db2.gz OSKMXUAYPDTRFJ-NRFANRHFSA-N 0 0 375.384 3.150 20 30 GGEDRN COC(=O)c1ccc([N+](=O)[O-])c(OCc2c(C#N)c(C)nn2-c2ccccc2)c1 ZINC000047354668 1404814318 /nfs/dbraw/zinc/81/43/18/1404814318.db2.gz ORNBYWWOKQTBEN-UHFFFAOYSA-N 0 0 392.371 3.326 20 30 GGEDRN N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1nc2ccccc2[nH]1 ZINC000047359052 1404815634 /nfs/dbraw/zinc/81/56/34/1404815634.db2.gz WVHCJBJRTUXAOD-AWEZNQCLSA-N 0 0 375.384 3.173 20 30 GGEDRN Cc1noc(C)c1CCC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000047362048 1404816991 /nfs/dbraw/zinc/81/69/91/1404816991.db2.gz JDTGGNYFLQPRKK-CQSZACIVSA-N 0 0 396.472 3.277 20 30 GGEDRN C=CCN1C(=O)c2ccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc2C1=O ZINC000047372260 1404818773 /nfs/dbraw/zinc/81/87/73/1404818773.db2.gz QCZIVWANBKUZNC-OAHLLOKOSA-N 0 0 399.328 3.372 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)Nc2ccccc2OC(F)(F)F)c1 ZINC000047395815 1404825915 /nfs/dbraw/zinc/82/59/15/1404825915.db2.gz DKWARUTWHBYPIX-UHFFFAOYSA-N 0 0 377.322 3.327 20 30 GGEDRN N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000047400505 1404827133 /nfs/dbraw/zinc/82/71/33/1404827133.db2.gz MZWMRTXQWGIRLK-OAHLLOKOSA-N 0 0 394.500 3.230 20 30 GGEDRN CN(Cc1cccnc1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000047426947 1404833298 /nfs/dbraw/zinc/83/32/98/1404833298.db2.gz HMNMTADTBPLPSD-UHFFFAOYSA-N 0 0 391.431 3.076 20 30 GGEDRN C=CCc1ccc(OC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)c(OC)c1 ZINC000047442118 1404837861 /nfs/dbraw/zinc/83/78/61/1404837861.db2.gz IDRASHLXFGTHPN-UHFFFAOYSA-N 0 0 380.375 3.328 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1ccc(-n2cccn2)cc1 ZINC000047443307 1404838143 /nfs/dbraw/zinc/83/81/43/1404838143.db2.gz SAXKTOTTYKZICU-UHFFFAOYSA-N 0 0 377.448 3.275 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O ZINC000047443070 1404838265 /nfs/dbraw/zinc/83/82/65/1404838265.db2.gz DHQCAPMMUUITMP-UHFFFAOYSA-N 0 0 384.505 3.087 20 30 GGEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1 ZINC000047460842 1404844618 /nfs/dbraw/zinc/84/46/18/1404844618.db2.gz LWIOLALPQVDXCM-UHFFFAOYSA-N 0 0 380.492 3.145 20 30 GGEDRN Cc1cc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C)n1C(C)C ZINC000047460647 1404844648 /nfs/dbraw/zinc/84/46/48/1404844648.db2.gz YAEPYUXBXNMKIM-UHFFFAOYSA-N 0 0 381.480 3.385 20 30 GGEDRN CCc1cc2c(ncnc2N2CCN(c3oc(C4CC4)nc3C#N)CC2)s1 ZINC000047461153 1404845198 /nfs/dbraw/zinc/84/51/98/1404845198.db2.gz GLJJONRBSNNAEI-UHFFFAOYSA-N 0 0 380.477 3.317 20 30 GGEDRN C=CCc1ccc(OCC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c(OC)c1 ZINC000047502668 1404853783 /nfs/dbraw/zinc/85/37/83/1404853783.db2.gz KURCVAHQPPXIAK-UHFFFAOYSA-N 0 0 382.338 3.148 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000047533918 1404860041 /nfs/dbraw/zinc/86/00/41/1404860041.db2.gz DHNGUHQIYIFYLL-MFKMUULPSA-N 0 0 392.550 3.231 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000047534198 1404860087 /nfs/dbraw/zinc/86/00/87/1404860087.db2.gz ZLIMIYOUWFACJD-CQSZACIVSA-N 0 0 389.452 3.248 20 30 GGEDRN C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)o1 ZINC000047538390 1404861980 /nfs/dbraw/zinc/86/19/80/1404861980.db2.gz FBOYVPLYTTXVRD-RHSMWYFYSA-N 0 0 394.475 3.421 20 30 GGEDRN N#CCOc1cccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000047551538 1404865399 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GGEDRN N#Cc1ccccc1OCc1ccc(C(=O)NCCCOC[C@@H]2CCCO2)o1 ZINC000048271136 1405123032 /nfs/dbraw/zinc/12/30/32/1405123032.db2.gz QDXUQVMSZDCUQE-KRWDZBQOSA-N 0 0 384.432 3.046 20 30 GGEDRN COc1ccc([C@@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)c2nccn2C)cc1 ZINC000048297427 1405132756 /nfs/dbraw/zinc/13/27/56/1405132756.db2.gz GMNMGUZQXGYCNG-FOIQADDNSA-N 0 0 389.459 3.450 20 30 GGEDRN CCC(=O)Nc1cccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000048346140 1405154516 /nfs/dbraw/zinc/15/45/16/1405154516.db2.gz PNHNCNVHYFRDEB-UHFFFAOYSA-N 0 0 390.487 3.255 20 30 GGEDRN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NCc1cccc(C#N)c1 ZINC000048376601 1405168969 /nfs/dbraw/zinc/16/89/69/1405168969.db2.gz MLWKYBBMJVDWLG-UHFFFAOYSA-N 0 0 390.365 3.481 20 30 GGEDRN N#Cc1ccc(CSCC(=O)NCc2ccc(N3CCCCC3)nc2)cc1 ZINC000048372630 1405169082 /nfs/dbraw/zinc/16/90/82/1405169082.db2.gz HLCCVJFWMDPAOG-UHFFFAOYSA-N 0 0 380.517 3.493 20 30 GGEDRN CCC(=O)Nc1ccc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 ZINC000048393461 1405176122 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COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000058430423 1407826943 /nfs/dbraw/zinc/82/69/43/1407826943.db2.gz KCLUUZKLMWXAGM-UHFFFAOYSA-N 0 0 394.431 3.195 20 30 GGEDRN CCNC(=O)c1ccc(NC(=O)N(CCOC)Cc2ccc(C#N)cc2)c(C)c1 ZINC000058427755 1407826962 /nfs/dbraw/zinc/82/69/62/1407826962.db2.gz QMXSQZRSKXWGIN-UHFFFAOYSA-N 0 0 394.475 3.297 20 30 GGEDRN CCCNC(=O)c1ccc(NC(=O)N(CCOC)Cc2ccc(C#N)cc2)cc1 ZINC000058428524 1407827027 /nfs/dbraw/zinc/82/70/27/1407827027.db2.gz ZBFARRMYZFUJJS-UHFFFAOYSA-N 0 0 394.475 3.379 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000058451651 1407830706 /nfs/dbraw/zinc/83/07/06/1407830706.db2.gz KEAWBUKLYHSTAC-IBGZPJMESA-N 0 0 378.432 3.306 20 30 GGEDRN COc1ccc(OC)c(CN2CCN(C(=O)Nc3cc(C#N)ccc3C)CC2)c1 ZINC000058452704 1407831013 /nfs/dbraw/zinc/83/10/13/1407831013.db2.gz YLASGUUEACGLSI-UHFFFAOYSA-N 0 0 394.475 3.234 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000058453111 1407831019 /nfs/dbraw/zinc/83/10/19/1407831019.db2.gz LEJKEEGEBKINLK-UHFFFAOYSA-N 0 0 391.475 3.091 20 30 GGEDRN N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cc2cn3ccsc3n2)cc1 ZINC000058498820 1407837699 /nfs/dbraw/zinc/83/76/99/1407837699.db2.gz GGHHTLIZYCZGFR-UHFFFAOYSA-N 0 0 378.379 3.401 20 30 GGEDRN CC(=O)N1CCC(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000058515526 1407839816 /nfs/dbraw/zinc/83/98/16/1407839816.db2.gz MJJOYESFYWZPNZ-UHFFFAOYSA-N 0 0 393.462 3.485 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1 ZINC000058531201 1407840785 /nfs/dbraw/zinc/84/07/85/1407840785.db2.gz SJDPMTUDRBAPHD-UHFFFAOYSA-N 0 0 397.456 3.400 20 30 GGEDRN Cc1ccc(Cl)cc1S(=O)(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000058561551 1407844901 /nfs/dbraw/zinc/84/49/01/1407844901.db2.gz MRVWWVSXOYYRJM-UHFFFAOYSA-N 0 0 389.908 3.421 20 30 GGEDRN C[C@H]1CCc2ccccc2N1C(=O)CN1CCCN(c2ccccc2C#N)CC1 ZINC000058580300 1407847448 /nfs/dbraw/zinc/84/74/48/1407847448.db2.gz JVVJLAAYYQZBEG-IBGZPJMESA-N 0 0 388.515 3.438 20 30 GGEDRN CCc1ccc(CN(C)C(=O)CN2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000058580579 1407847568 /nfs/dbraw/zinc/84/75/68/1407847568.db2.gz SAWKUNVPTPWAQG-UHFFFAOYSA-N 0 0 390.531 3.291 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC(=O)NC2CCCCC2)cc1 ZINC000058642804 1407856973 /nfs/dbraw/zinc/85/69/73/1407856973.db2.gz IGYMHXWPXMKSCO-UHFFFAOYSA-N 0 0 398.507 3.071 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000058648997 1407857986 /nfs/dbraw/zinc/85/79/86/1407857986.db2.gz TXHOJVKWKKVRGU-UHFFFAOYSA-N 0 0 388.489 3.460 20 30 GGEDRN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccccc1CS(C)(=O)=O)C(C)C ZINC000058671504 1407860782 /nfs/dbraw/zinc/86/07/82/1407860782.db2.gz FGPGPTWCSFTSEJ-IBGZPJMESA-N 0 0 393.553 3.051 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1CS(C)(=O)=O ZINC000058672575 1407860985 /nfs/dbraw/zinc/86/09/85/1407860985.db2.gz CQIRODGSUNOKMQ-UHFFFAOYSA-N 0 0 383.473 3.323 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)c1ccc2c(c1)OCCO2 ZINC000058676704 1407862591 /nfs/dbraw/zinc/86/25/91/1407862591.db2.gz HLLXDYHZNCLKGL-UHFFFAOYSA-N 0 0 394.471 3.282 20 30 GGEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)c1ccc(F)cc1Cl ZINC000058680506 1407863287 /nfs/dbraw/zinc/86/32/87/1407863287.db2.gz VPURIRFTLNKYKB-UHFFFAOYSA-N 0 0 397.841 3.481 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000058757964 1407875763 /nfs/dbraw/zinc/87/57/63/1407875763.db2.gz INTYMUGJRQCXMQ-UHFFFAOYSA-N 0 0 396.491 3.169 20 30 GGEDRN CC[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)Oc1ccccc1Cl ZINC000176364764 1428272224 /nfs/dbraw/zinc/27/22/24/1428272224.db2.gz OPZXGPQLMBTPJC-AWEZNQCLSA-N 0 0 389.814 3.263 20 30 GGEDRN N#Cc1ccccc1N1CCCN(C(=O)c2cnn(-c3ccccc3F)c2)CC1 ZINC000058807176 1407884289 /nfs/dbraw/zinc/88/42/89/1407884289.db2.gz XLAICDOLKJATFB-UHFFFAOYSA-N 0 0 389.434 3.236 20 30 GGEDRN C#CCOC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl ZINC000058818641 1407885907 /nfs/dbraw/zinc/88/59/07/1407885907.db2.gz GQAORSIJJGMQQM-UHFFFAOYSA-N 0 0 381.812 3.094 20 30 GGEDRN COc1ccc(C2(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CCCC2)cc1 ZINC000058826254 1407886912 /nfs/dbraw/zinc/88/69/12/1407886912.db2.gz MOESJLOKOXPUFD-UHFFFAOYSA-N 0 0 390.487 3.122 20 30 GGEDRN C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nnc2n1CCC2 ZINC000058828121 1407887351 /nfs/dbraw/zinc/88/73/51/1407887351.db2.gz XVPIBUXABIMEJI-OAHLLOKOSA-N 0 0 387.443 3.166 20 30 GGEDRN C#CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000058833307 1407887935 /nfs/dbraw/zinc/88/79/35/1407887935.db2.gz BSWGXOBILDEKAR-UHFFFAOYSA-N 0 0 394.246 3.040 20 30 GGEDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCCCC#N)cc1[N+](=O)[O-] ZINC000058857526 1407890076 /nfs/dbraw/zinc/89/00/76/1407890076.db2.gz MBHMISLTIOZBHW-UHFFFAOYSA-N 0 0 381.388 3.352 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000058889344 1407894845 /nfs/dbraw/zinc/89/48/45/1407894845.db2.gz YYXUTFQNQVBECK-DNVCBOLYSA-N 0 0 396.457 3.270 20 30 GGEDRN CCCCOc1ccc(C(=O)NCC(=O)Nc2cccc(OCC#N)c2)cc1 ZINC000058940562 1407902048 /nfs/dbraw/zinc/90/20/48/1407902048.db2.gz ONOUWPPZCNPDCB-UHFFFAOYSA-N 0 0 381.432 3.136 20 30 GGEDRN Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1sc3c(c1C#N)CC[C@H](C)C3)C2=O ZINC000058988132 1407909032 /nfs/dbraw/zinc/90/90/32/1407909032.db2.gz WJAXSABHZUMMFW-LBPRGKRZSA-N 0 0 393.468 3.288 20 30 GGEDRN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CCOc2cccc(C#N)c2)C1=O ZINC000059008825 1407912277 /nfs/dbraw/zinc/91/22/77/1407912277.db2.gz VDEOZVLRRJFGCO-FQEVSTJZSA-N 0 0 383.835 3.448 20 30 GGEDRN CCCc1ccc([C@]2(C)NC(=O)N(CCOc3cccc(C#N)c3)C2=O)cc1 ZINC000059010549 1407912911 /nfs/dbraw/zinc/91/29/11/1407912911.db2.gz JXCDLVQFQGYIJG-QFIPXVFZSA-N 0 0 377.444 3.357 20 30 GGEDRN N#Cc1cccc(OCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 ZINC000059013471 1407913768 /nfs/dbraw/zinc/91/37/68/1407913768.db2.gz RCYUDEKNPUIMGG-UHFFFAOYSA-N 0 0 397.434 3.433 20 30 GGEDRN N#Cc1ccc(NCC(=O)N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000059171225 1407916247 /nfs/dbraw/zinc/91/62/47/1407916247.db2.gz DQECBWSQKDXJJN-UHFFFAOYSA-N 0 0 378.432 3.360 20 30 GGEDRN C=CCN(CC(=O)N(C)CC(=O)Nc1ccc(C)cc1)Cc1ccc(OC)cc1 ZINC000059423174 1407923521 /nfs/dbraw/zinc/92/35/21/1407923521.db2.gz HKNXRKRUJAGSJR-UHFFFAOYSA-N 0 0 395.503 3.089 20 30 GGEDRN CC(C)C(=O)Nc1ccc(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000059827211 1407926199 /nfs/dbraw/zinc/92/61/99/1407926199.db2.gz ODXLDALJWOETJB-UHFFFAOYSA-N 0 0 391.880 3.285 20 30 GGEDRN C[C@@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)cc2)C[C@@H](C)O1 ZINC000060082468 1407936813 /nfs/dbraw/zinc/93/68/13/1407936813.db2.gz PTGWWTHMZLQBFJ-HUUCEWRRSA-N 0 0 394.431 3.328 20 30 GGEDRN C[C@@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)cc2)C[C@H](C)O1 ZINC000060082460 1407937396 /nfs/dbraw/zinc/93/73/96/1407937396.db2.gz PTGWWTHMZLQBFJ-GASCZTMLSA-N 0 0 394.431 3.328 20 30 GGEDRN C=CCN(CCc1ccccc1)C(=O)c1cc(S(=O)(=O)NCC)ccc1C ZINC000060167134 1407945058 /nfs/dbraw/zinc/94/50/58/1407945058.db2.gz FQYNEXMANAIITQ-UHFFFAOYSA-N 0 0 386.517 3.164 20 30 GGEDRN C#CCN(CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)Cc1ccc(F)cc1 ZINC000060168271 1407945279 /nfs/dbraw/zinc/94/52/79/1407945279.db2.gz CYIHQTUJNWAIMN-UHFFFAOYSA-N 0 0 395.478 3.382 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2cccc(OCC)c2)c1 ZINC000060185516 1407945995 /nfs/dbraw/zinc/94/59/95/1407945995.db2.gz AMBURFIAPNORNS-OAHLLOKOSA-N 0 0 388.489 3.041 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cccc(OCC)c2)c1 ZINC000060185519 1407946152 /nfs/dbraw/zinc/94/61/52/1407946152.db2.gz AMBURFIAPNORNS-HNNXBMFYSA-N 0 0 388.489 3.041 20 30 GGEDRN Cc1ccc(OCCCON=C(N)c2cccc(CN3CCOCC3)c2)cc1C ZINC000060336710 1407954467 /nfs/dbraw/zinc/95/44/67/1407954467.db2.gz OHPQRSVBRHXWMS-UHFFFAOYSA-N 0 0 397.519 3.242 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc1 ZINC000060336730 1407954703 /nfs/dbraw/zinc/95/47/03/1407954703.db2.gz CJBPEZVRUSYEJF-UHFFFAOYSA-N 0 0 383.404 3.363 20 30 GGEDRN C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2ccc(OC(F)(F)F)cc2)C1=O ZINC000060346517 1407957124 /nfs/dbraw/zinc/95/71/24/1407957124.db2.gz DIKYQIYTBCNLDK-SFHVURJKSA-N 0 0 389.333 3.424 20 30 GGEDRN N#Cc1cccc(CNC(=O)C(=O)Nc2ccc(CCC(F)(F)F)cc2)c1 ZINC000176371092 1428278901 /nfs/dbraw/zinc/27/89/01/1428278901.db2.gz WACXCHBGFSJNIH-UHFFFAOYSA-N 0 0 375.350 3.308 20 30 GGEDRN COCCCn1c(SCCOc2ccccc2C#N)nc2ccccc2c1=O ZINC000060423021 1407974735 /nfs/dbraw/zinc/97/47/35/1407974735.db2.gz HSZRSEMXXBDKDB-UHFFFAOYSA-N 0 0 395.484 3.476 20 30 GGEDRN C=C(Br)CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1 ZINC000060427937 1407975229 /nfs/dbraw/zinc/97/52/29/1407975229.db2.gz NKHOOSYOIZMIIL-UHFFFAOYSA-N 0 0 399.289 3.244 20 30 GGEDRN CCOC(=O)c1nn(-c2ccccc2)cc1OCCOc1ccccc1C#N ZINC000060430033 1407976035 /nfs/dbraw/zinc/97/60/35/1407976035.db2.gz AZWGHVLBZTZNCF-UHFFFAOYSA-N 0 0 377.400 3.378 20 30 GGEDRN Cc1ccccc1-c1nn(CN2CCN(c3ccc(C#N)cn3)CC2)c(=S)o1 ZINC000060445059 1407979081 /nfs/dbraw/zinc/97/90/81/1407979081.db2.gz KXFDCPKESMGNPY-UHFFFAOYSA-N 0 0 392.488 3.227 20 30 GGEDRN C#CCNC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000060458702 1407981403 /nfs/dbraw/zinc/98/14/03/1407981403.db2.gz UDRNNTACFQCFBA-UHFFFAOYSA-N 0 0 382.529 3.227 20 30 GGEDRN C[C@H](NC(=O)CN1CCN(c2ccc(C#N)cn2)CC1)c1cccc2ccccc21 ZINC000060481411 1407987083 /nfs/dbraw/zinc/98/70/83/1407987083.db2.gz UDFALKZTHNBJBX-SFHVURJKSA-N 0 0 399.498 3.106 20 30 GGEDRN Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000060480856 1407987255 /nfs/dbraw/zinc/98/72/55/1407987255.db2.gz QKGOLDXADFUEOM-HNNXBMFYSA-N 0 0 383.883 3.064 20 30 GGEDRN CC(C)(C)c1ccccc1NC(=O)CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481296 1407987433 /nfs/dbraw/zinc/98/74/33/1407987433.db2.gz DAZVTYJWUFNVHP-UHFFFAOYSA-N 0 0 377.492 3.011 20 30 GGEDRN CCOC1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000060485182 1407987492 /nfs/dbraw/zinc/98/74/92/1407987492.db2.gz BZNKYYFJHHRPAF-UHFFFAOYSA-N 0 0 380.492 3.405 20 30 GGEDRN N#Cc1ccc(N2CCN(Cc3csc(COc4ccccc4)n3)CC2)nc1 ZINC000060480008 1407987649 /nfs/dbraw/zinc/98/76/49/1407987649.db2.gz OPXHXLVGCNVDKM-UHFFFAOYSA-N 0 0 391.500 3.311 20 30 GGEDRN 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N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(NC4CC4)nc3)C2)c(F)c1 ZINC000068532085 1409429048 /nfs/dbraw/zinc/42/90/48/1409429048.db2.gz GELSEKRPTUYNKE-QGZVFWFLSA-N 0 0 379.439 3.065 20 30 GGEDRN COc1cc(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)ccc1C ZINC000068532450 1409429364 /nfs/dbraw/zinc/42/93/64/1409429364.db2.gz APHXDVGTPRJNRQ-GOSISDBHSA-N 0 0 381.451 3.342 20 30 GGEDRN COc1ccc(O[C@H](C)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000068532701 1409429414 /nfs/dbraw/zinc/42/94/14/1409429414.db2.gz DVRPTAWBTMZJBK-NVXWUHKLSA-N 0 0 397.450 3.258 20 30 GGEDRN COc1cc(C)ccc1OCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000068532480 1409429497 /nfs/dbraw/zinc/42/94/97/1409429497.db2.gz SDAACHZTZWBRIQ-KRWDZBQOSA-N 0 0 397.450 3.178 20 30 GGEDRN COc1cc(C)ccc1OCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000068532479 1409429537 /nfs/dbraw/zinc/42/95/37/1409429537.db2.gz SDAACHZTZWBRIQ-QGZVFWFLSA-N 0 0 397.450 3.178 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3F)C2)c(F)c1 ZINC000068532635 1409429556 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1411295275 /nfs/dbraw/zinc/29/52/75/1411295275.db2.gz NUNRCLWNGFINQJ-OAQYLSRUSA-N 0 0 382.533 3.305 20 30 GGEDRN CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@H]1CCCCNC1=O ZINC000106766972 1411298177 /nfs/dbraw/zinc/29/81/77/1411298177.db2.gz GQPMPQDIWVASGZ-SFHVURJKSA-N 0 0 381.407 3.230 20 30 GGEDRN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(OCCc2ccccc2)CC1 ZINC000177025115 1428558697 /nfs/dbraw/zinc/55/86/97/1428558697.db2.gz NVWBHZQIMARZHV-JOCHJYFZSA-N 0 0 378.472 3.496 20 30 GGEDRN C=CCn1c2nn(CN(CC(F)F)C3CC3)c(=S)n2c2ccccc2c1=O ZINC000106856785 1411310312 /nfs/dbraw/zinc/31/03/12/1411310312.db2.gz XKYGQMHKVHJPSO-UHFFFAOYSA-N 0 0 391.447 3.053 20 30 GGEDRN N#Cc1ccsc1N1CC[C@@H](N2CCO[C@H](c3ccc(Cl)cc3)C2)C1=O ZINC000177016311 1428555098 /nfs/dbraw/zinc/55/50/98/1428555098.db2.gz NQRPRZMESDMVAN-SJORKVTESA-N 0 0 387.892 3.452 20 30 GGEDRN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106869519 1411313509 /nfs/dbraw/zinc/31/35/09/1411313509.db2.gz FMZPDCIRANJLKN-WFASDCNBSA-N 0 0 392.887 3.138 20 30 GGEDRN Cc1sc(NC(=O)CN2CCCN(C(=O)c3ccccc3)CC2)c(C#N)c1C ZINC000177016228 1428555377 /nfs/dbraw/zinc/55/53/77/1428555377.db2.gz XKBKIVAGEFMJGU-UHFFFAOYSA-N 0 0 396.516 3.023 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)Cc2c(C)[nH]c3nn(C)c(=O)c-3c2C)c1 ZINC000106916366 1411320175 /nfs/dbraw/zinc/32/01/75/1411320175.db2.gz LNKRDCOSQGPRHK-UHFFFAOYSA-N 0 0 380.448 3.015 20 30 GGEDRN COc1ccc2oc([C@H](C)NC(=O)CNC(=O)c3ccc(C#N)cc3)c(C)c2c1 ZINC000106919467 1411320373 /nfs/dbraw/zinc/32/03/73/1411320373.db2.gz HDLOYIFMQDOCIR-AWEZNQCLSA-N 0 0 391.427 3.229 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N(CCCOC)Cc2ccncc2)cc1 ZINC000106941894 1411323786 /nfs/dbraw/zinc/32/37/86/1411323786.db2.gz QDQSYUGVHMFLKK-UHFFFAOYSA-N 0 0 382.464 3.068 20 30 GGEDRN N#Cc1cccc(CNC(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)c1 ZINC000106944441 1411324501 /nfs/dbraw/zinc/32/45/01/1411324501.db2.gz JQOGZEPNXXMXEF-UHFFFAOYSA-N 0 0 398.488 3.055 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NCCOc2ccc(F)c(F)c2)c1 ZINC000106959363 1411327860 /nfs/dbraw/zinc/32/78/60/1411327860.db2.gz RDCUCMFYWHVMFY-UHFFFAOYSA-N 0 0 390.386 3.053 20 30 GGEDRN COc1ccc2oc([C@@H](C)NC(=O)C(=O)Nc3cccc(C#N)c3)c(C)c2c1 ZINC000106961306 1411328388 /nfs/dbraw/zinc/32/83/88/1411328388.db2.gz DOIHFCMCSDOKNQ-CYBMUJFWSA-N 0 0 377.400 3.437 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCc2ccccc2[C@@H]1C ZINC000106969439 1411330222 /nfs/dbraw/zinc/33/02/22/1411330222.db2.gz TVAKFRJRBLFIHP-HNNXBMFYSA-N 0 0 377.444 3.430 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)N[C@H]2CCc3ccc(F)cc32)c1 ZINC000106967916 1411330352 /nfs/dbraw/zinc/33/03/52/1411330352.db2.gz QTOZUUGVJAJRCV-IBGZPJMESA-N 0 0 381.407 3.250 20 30 GGEDRN N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCCc3ccccc3C2)c1 ZINC000106981460 1411333070 /nfs/dbraw/zinc/33/30/70/1411333070.db2.gz BAIJIQVFGYLJML-UHFFFAOYSA-N 0 0 385.370 3.073 20 30 GGEDRN C=CCNC(=O)[C@H](C#N)C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1 ZINC000106984480 1411333125 /nfs/dbraw/zinc/33/31/25/1411333125.db2.gz MPXGTMFLYCIPNV-LJQANCHMSA-N 0 0 382.847 3.473 20 30 GGEDRN COc1ccc(CNC(=O)[C@H](C#N)C(=O)Cc2ccc(OCC(C)C)cc2)cc1 ZINC000106985271 1411333727 /nfs/dbraw/zinc/33/37/27/1411333727.db2.gz WVBFIFNAJVCXLL-OAQYLSRUSA-N 0 0 394.471 3.298 20 30 GGEDRN COc1ccc(CNC(=O)[C@@H](C#N)C(=O)Cc2ccc(OCC(C)C)cc2)cc1 ZINC000106985275 1411333902 /nfs/dbraw/zinc/33/39/02/1411333902.db2.gz WVBFIFNAJVCXLL-NRFANRHFSA-N 0 0 394.471 3.298 20 30 GGEDRN C#CCOc1cccc(COC(=O)CSc2nnc(-c3ccco3)n2CC)c1 ZINC000107022032 1411334044 /nfs/dbraw/zinc/33/40/44/1411334044.db2.gz IFFXOXTZHLZYSQ-UHFFFAOYSA-N 0 0 397.456 3.406 20 30 GGEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCCN2CCCCC2=O)cc1C ZINC000107029282 1411335785 /nfs/dbraw/zinc/33/57/85/1411335785.db2.gz UXFOUOUYIWRFDZ-UHFFFAOYSA-N 0 0 394.475 3.250 20 30 GGEDRN C#CCOc1ccccc1[C@H](C)OC(=O)Cn1cnc2c(C)cccc2c1=O ZINC000107060303 1411338234 /nfs/dbraw/zinc/33/82/34/1411338234.db2.gz BUVWNIKMVBXAMR-INIZCTEOSA-N 0 0 376.412 3.021 20 30 GGEDRN C#CCOc1ccccc1[C@@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000107059336 1411338297 /nfs/dbraw/zinc/33/82/97/1411338297.db2.gz HEMYHZLBQCNPFX-MRXNPFEDSA-N 0 0 378.428 3.112 20 30 GGEDRN C#CCOc1ccccc1[C@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000107059333 1411338377 /nfs/dbraw/zinc/33/83/77/1411338377.db2.gz HEMYHZLBQCNPFX-INIZCTEOSA-N 0 0 378.428 3.112 20 30 GGEDRN C#CCOc1ccccc1[C@@H](C)OC(=O)Cn1cnc2c(C)cccc2c1=O ZINC000107060305 1411338465 /nfs/dbraw/zinc/33/84/65/1411338465.db2.gz BUVWNIKMVBXAMR-MRXNPFEDSA-N 0 0 376.412 3.021 20 30 GGEDRN C[C@](C#N)(NC(=O)CNc1ccccc1NC(=O)Cc1cccs1)C1CC1 ZINC000107068440 1411338856 /nfs/dbraw/zinc/33/88/56/1411338856.db2.gz IOVVRIXYPZNDNW-HXUWFJFHSA-N 0 0 382.489 3.150 20 30 GGEDRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)O[C@@H](C#N)C3CC3)cc2)ccc1F ZINC000177021286 1428557541 /nfs/dbraw/zinc/55/75/41/1428557541.db2.gz VALRORZBEKCTJL-SFHVURJKSA-N 0 0 388.420 3.394 20 30 GGEDRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)O[C@H](C#N)C3CC3)cc2)ccc1F ZINC000177021303 1428557854 /nfs/dbraw/zinc/55/78/54/1428557854.db2.gz VALRORZBEKCTJL-GOSISDBHSA-N 0 0 388.420 3.394 20 30 GGEDRN C#CCOc1ccccc1OC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000107190482 1411349199 /nfs/dbraw/zinc/34/91/99/1411349199.db2.gz IWQQIMFHCIKFMD-IBGZPJMESA-N 0 0 377.440 3.465 20 30 GGEDRN C#CCOc1ccccc1OC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000107190691 1411349345 /nfs/dbraw/zinc/34/93/45/1411349345.db2.gz QNYJDHBJQGUOFA-LJQANCHMSA-N 0 0 377.440 3.085 20 30 GGEDRN C#CCOc1ccccc1OC(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C ZINC000107192398 1411349494 /nfs/dbraw/zinc/34/94/94/1411349494.db2.gz QPKDDQGEKMBFRH-UHFFFAOYSA-N 0 0 393.443 3.144 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)Cc2cccc(OC(F)F)c2)CC1 ZINC000107209785 1411351760 /nfs/dbraw/zinc/35/17/60/1411351760.db2.gz HMMNLGPJQMYMAV-LJQANCHMSA-N 0 0 385.414 3.240 20 30 GGEDRN N#CCCN(CCN1CCOCC1)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000107239129 1411354229 /nfs/dbraw/zinc/35/42/29/1411354229.db2.gz NANJGLYILOJABS-IRXDYDNUSA-N 0 0 396.318 3.171 20 30 GGEDRN N#Cc1ccsc1N1CC[C@@H](N2CCC(OCCc3ccccc3)CC2)C1=O ZINC000177025199 1428558957 /nfs/dbraw/zinc/55/89/57/1428558957.db2.gz WUVCKEGOPXJXNC-HXUWFJFHSA-N 0 0 395.528 3.449 20 30 GGEDRN C#CCOc1ccccc1OCC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000107296850 1411359421 /nfs/dbraw/zinc/35/94/21/1411359421.db2.gz YRVRVRKZPZIJIU-ROUUACIJSA-N 0 0 394.471 3.330 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)CNC(=O)c1c(F)cccc1Cl ZINC000107349834 1411363741 /nfs/dbraw/zinc/36/37/41/1411363741.db2.gz SJDSDDJNCBTEHF-UHFFFAOYSA-N 0 0 385.826 3.295 20 30 GGEDRN C#CCN1CCN(C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000107358964 1411365353 /nfs/dbraw/zinc/36/53/53/1411365353.db2.gz ASJQNKXKTULVIZ-UHFFFAOYSA-N 0 0 381.423 3.025 20 30 GGEDRN CCCCCNC(=O)C1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000177027221 1428559953 /nfs/dbraw/zinc/55/99/53/1428559953.db2.gz BQUNIPNRHCDHNN-UHFFFAOYSA-N 0 0 390.553 3.194 20 30 GGEDRN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc(C#N)cn2)c1 ZINC000107428339 1411377162 /nfs/dbraw/zinc/37/71/62/1411377162.db2.gz ARGFXDQEGJFJLG-UHFFFAOYSA-N 0 0 392.440 3.031 20 30 GGEDRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(C#N)cn1 ZINC000107431813 1411377259 /nfs/dbraw/zinc/37/72/59/1411377259.db2.gz QWCKFDAACIVZKL-UHFFFAOYSA-N 0 0 376.338 3.073 20 30 GGEDRN N#CCc1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000107436685 1411377468 /nfs/dbraw/zinc/37/74/68/1411377468.db2.gz XZVYNEBEOFRQMN-QGZVFWFLSA-N 0 0 396.834 3.250 20 30 GGEDRN CC(=O)NCc1ccc(-c2nc(NC(=O)c3ccc(C#N)cn3)sc2C)s1 ZINC000107446158 1411378526 /nfs/dbraw/zinc/37/85/26/1411378526.db2.gz KFEHVRMWUBBLKA-UHFFFAOYSA-N 0 0 397.485 3.335 20 30 GGEDRN CCN(CC)C(=O)COc1ccc(NC(=O)c2ccc(C#N)cn2)cc1Cl ZINC000107446900 1411378569 /nfs/dbraw/zinc/37/85/69/1411378569.db2.gz FNGHXDPESVJKQO-UHFFFAOYSA-N 0 0 386.839 3.106 20 30 GGEDRN N#Cc1cccc(CNC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)c1 ZINC000107444563 1411378669 /nfs/dbraw/zinc/37/86/69/1411378669.db2.gz VCYOSDFAIUQCOL-UHFFFAOYSA-N 0 0 390.464 3.462 20 30 GGEDRN N#Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)nc1 ZINC000107453133 1411379095 /nfs/dbraw/zinc/37/90/95/1411379095.db2.gz GMGNXFHIEIHRLM-UHFFFAOYSA-N 0 0 376.338 3.061 20 30 GGEDRN COc1ccc([C@@H](C)C(=O)N2CCN([C@@H](C#N)c3ccc(OC)cc3)CC2)cc1 ZINC000107542084 1411386562 /nfs/dbraw/zinc/38/65/62/1411386562.db2.gz AUJJNTSHKDNPTR-VGSWGCGISA-N 0 0 393.487 3.216 20 30 GGEDRN COc1ccc([C@H](C#N)N2CCN(C(=O)[C@@H](C)c3ccc(OC)cc3)CC2)cc1 ZINC000107542082 1411386693 /nfs/dbraw/zinc/38/66/93/1411386693.db2.gz AUJJNTSHKDNPTR-JTSKRJEESA-N 0 0 393.487 3.216 20 30 GGEDRN C=C(Br)CNC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000107571683 1411388888 /nfs/dbraw/zinc/38/88/88/1411388888.db2.gz FSRBSVKEFKNCBO-UHFFFAOYSA-N 0 0 394.290 3.299 20 30 GGEDRN COc1ccc(CNC(=O)CCCOc2ccc(C#N)cc2OC)cc1OC ZINC000107581228 1411389239 /nfs/dbraw/zinc/38/92/39/1411389239.db2.gz VQXHQLRWCQJHAV-UHFFFAOYSA-N 0 0 384.432 3.059 20 30 GGEDRN N#CCCN(CC1CC1)C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000107593607 1411390368 /nfs/dbraw/zinc/39/03/68/1411390368.db2.gz QKBQSFREKBBFHN-UHFFFAOYSA-N 0 0 382.485 3.426 20 30 GGEDRN CCOc1cc(/C=C\C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1OC ZINC000107598911 1411390975 /nfs/dbraw/zinc/39/09/75/1411390975.db2.gz HBHYYXKQZDMFLH-SDQBBNPISA-N 0 0 389.473 3.240 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC000107701801 1411399855 /nfs/dbraw/zinc/39/98/55/1411399855.db2.gz ZVZSRGASFUKYEL-ZWKOTPCHSA-N 0 0 390.892 3.090 20 30 GGEDRN CCCCOC(=O)c1ccc(NC(=O)NCCNc2ncccc2C#N)cc1 ZINC000107706883 1411400048 /nfs/dbraw/zinc/40/00/48/1411400048.db2.gz SSZDLUHBNMRGOR-UHFFFAOYSA-N 0 0 381.436 3.144 20 30 GGEDRN N#Cc1ccc(CSCC(=O)N2CCN(CCOc3ccccc3)CC2)cc1 ZINC000107706074 1411400383 /nfs/dbraw/zinc/40/03/83/1411400383.db2.gz UVRUZLYEBHGUDP-UHFFFAOYSA-N 0 0 395.528 3.015 20 30 GGEDRN CS(=O)(=O)c1cccc(OCC(=O)c2cn(CCC#N)c3ccccc23)c1 ZINC000107752971 1411405797 /nfs/dbraw/zinc/40/57/97/1411405797.db2.gz NSSDDCHQFVLNOH-UHFFFAOYSA-N 0 0 382.441 3.220 20 30 GGEDRN N#Cc1c(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)sc2c1CCCC2 ZINC000107769090 1411408258 /nfs/dbraw/zinc/40/82/58/1411408258.db2.gz OXOVFSIZLVZQIG-UHFFFAOYSA-N 0 0 386.521 3.365 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000177037879 1428563744 /nfs/dbraw/zinc/56/37/44/1428563744.db2.gz ZWAVOJYUDAFTGG-UHFFFAOYSA-N 0 0 391.471 3.425 20 30 GGEDRN COc1cc(Cl)ccc1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000107872313 1411424606 /nfs/dbraw/zinc/42/46/06/1411424606.db2.gz XGJIJYLYOGKYNO-UHFFFAOYSA-N 0 0 385.851 3.405 20 30 GGEDRN COc1ccccc1N1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1=O ZINC000177042357 1428565172 /nfs/dbraw/zinc/56/51/72/1428565172.db2.gz JGKSEBIKZPMCBA-OAHLLOKOSA-N 0 0 395.463 3.050 20 30 GGEDRN CCc1ccc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccccn3)c3c2CCC3)cc1 ZINC000107877670 1411426120 /nfs/dbraw/zinc/42/61/20/1411426120.db2.gz ZUCNTVSVPPLASI-GOSISDBHSA-N 0 0 399.454 3.280 20 30 GGEDRN COc1ccc(CN2C[C@H](C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2=O)cc1 ZINC000107907333 1411427672 /nfs/dbraw/zinc/42/76/72/1411427672.db2.gz WJMUFHBNRAHNPG-QGZVFWFLSA-N 0 0 394.475 3.111 20 30 GGEDRN Cc1ccc(CN2C[C@H](C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2=O)cc1 ZINC000107906368 1411427700 /nfs/dbraw/zinc/42/77/00/1411427700.db2.gz KHKAQQIHLAKOAU-GOSISDBHSA-N 0 0 378.476 3.410 20 30 GGEDRN CCCn1ccc2ccc(NC(=O)N(CCC#N)CCN3CCOCC3)cc21 ZINC000177053665 1428570301 /nfs/dbraw/zinc/57/03/01/1428570301.db2.gz JABNFOAUKALVPI-UHFFFAOYSA-N 0 0 383.496 3.131 20 30 GGEDRN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000108068916 1411436142 /nfs/dbraw/zinc/43/61/42/1411436142.db2.gz GVXYSXFIANRAFD-AWEZNQCLSA-N 0 0 398.415 3.072 20 30 GGEDRN C=CCN(Cc1cccs1)Cc1nnc2n1c1ccc(C)cc1c(=O)n2C ZINC000108081772 1411437766 /nfs/dbraw/zinc/43/77/66/1411437766.db2.gz BDNXBONSAUERIC-UHFFFAOYSA-N 0 0 379.489 3.139 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)Cn1nnc(-c2cccs2)n1 ZINC000108146517 1411442417 /nfs/dbraw/zinc/44/24/17/1411442417.db2.gz IHWRJFOZHYUTJO-GFCCVEGCSA-N 0 0 384.490 3.292 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1nnc(-c2cccs2)n1 ZINC000108146525 1411442494 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CC[C@@H](C#N)Oc1cc(CNC(=O)Cc2noc3ccccc23)ccc1OC ZINC000113111512 1412264073 /nfs/dbraw/zinc/26/40/73/1412264073.db2.gz MFWGNRNIOGIVCX-HNNXBMFYSA-N 0 0 379.416 3.376 20 30 GGEDRN N#CCOc1cccc(CNC(=O)CCCc2nc(-c3cccs3)no2)c1 ZINC000113109362 1412264126 /nfs/dbraw/zinc/26/41/26/1412264126.db2.gz SWHXQBTWHKMKPV-UHFFFAOYSA-N 0 0 382.445 3.340 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2c(C)nn(C)c2Cl)ccc1OC ZINC000113112885 1412264494 /nfs/dbraw/zinc/26/44/94/1412264494.db2.gz FCASHIBPRBRDMW-CYBMUJFWSA-N 0 0 376.844 3.002 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])ccc1OC ZINC000113112709 1412264635 /nfs/dbraw/zinc/26/46/35/1412264635.db2.gz KHBFZLIRIUUIFQ-CQSZACIVSA-N 0 0 387.367 3.353 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(C(C)(C)C)nn2C)ccc1OC ZINC000113112803 1412264758 /nfs/dbraw/zinc/26/47/58/1412264758.db2.gz ZJCDCCDRPTVRJX-HNNXBMFYSA-N 0 0 384.480 3.337 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(-n3cccn3)cc2)ccc1OC ZINC000113114416 1412264820 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385.471 3.482 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)Cc2c(C)noc2Cl)ccc1OC ZINC000113211731 1412276375 /nfs/dbraw/zinc/27/63/75/1412276375.db2.gz LINQAKQEDSUQAJ-CYBMUJFWSA-N 0 0 377.828 3.185 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc([S@@](C)=O)cc2)ccc1OC ZINC000113211684 1412276434 /nfs/dbraw/zinc/27/64/34/1412276434.db2.gz BXPRKJZLCZRBQL-OQRWROFFSA-N 0 0 386.473 3.044 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H](c2ccccc2)N(C)C)ccc1OC ZINC000113211724 1412276575 /nfs/dbraw/zinc/27/65/75/1412276575.db2.gz QMDXANKMNHZVBC-WIYYLYMNSA-N 0 0 381.476 3.295 20 30 GGEDRN C[C@]1(c2ccccc2)CCCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000113215279 1412277426 /nfs/dbraw/zinc/27/74/26/1412277426.db2.gz HQGCBGIVKJPUSY-QFIPXVFZSA-N 0 0 396.512 3.053 20 30 GGEDRN N#Cc1ccc(CSCC(=O)NCC(=O)OCc2ccccc2Cl)cc1 ZINC000113221343 1412278739 /nfs/dbraw/zinc/27/87/39/1412278739.db2.gz RVMSRQSYTDJDHI-UHFFFAOYSA-N 0 0 388.876 3.304 20 30 GGEDRN N#Cc1ccc(CN(CN2C[C@H](c3ccccn3)CC2=O)CC(F)(F)F)cc1 ZINC000113240863 1412280986 /nfs/dbraw/zinc/28/09/86/1412280986.db2.gz SFANYULIOJCEEO-QGZVFWFLSA-N 0 0 388.393 3.291 20 30 GGEDRN CN(CCc1ccc(Cl)cc1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000113246649 1412282256 /nfs/dbraw/zinc/28/22/56/1412282256.db2.gz NBWOYQXWQPAGEE-UHFFFAOYSA-N 0 0 396.878 3.108 20 30 GGEDRN Cc1cc(C)cc(NC(=O)[C@H](C)ON=C(N)c2ccc(N3CCCCC3)nc2)c1 ZINC000113249351 1412282782 /nfs/dbraw/zinc/28/27/82/1412282782.db2.gz DHKSVXRTZTXXAU-KRWDZBQOSA-N 0 0 395.507 3.353 20 30 GGEDRN Cc1cccc(NC(=O)[C@H](C)ON=C(N)c2ccc(N3CCCCC3)nc2)c1C ZINC000113249301 1412283113 /nfs/dbraw/zinc/28/31/13/1412283113.db2.gz KPMCIUMKMBRNNZ-KRWDZBQOSA-N 0 0 395.507 3.353 20 30 GGEDRN Cc1ccc(F)cc1NC(=O)[C@H](C)ON=C(N)c1ccc(N2CCCCC2)nc1 ZINC000113249339 1412283145 /nfs/dbraw/zinc/28/31/45/1412283145.db2.gz QCDKSPGTBWRCTI-HNNXBMFYSA-N 0 0 399.470 3.184 20 30 GGEDRN N#CCOc1cccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000113303598 1412289602 /nfs/dbraw/zinc/28/96/02/1412289602.db2.gz JBNKNVYKTFVTHT-UHFFFAOYSA-N 0 0 388.342 3.225 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNS(=O)(=O)c2cc(F)cc(F)c2)ccc1OC ZINC000113304035 1412289641 /nfs/dbraw/zinc/28/96/41/1412289641.db2.gz UBSWSRDKURNSSV-OAHLLOKOSA-N 0 0 396.415 3.133 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)c2ccc(F)c(C)c2)ccc1OC ZINC000113304082 1412290226 /nfs/dbraw/zinc/29/02/26/1412290226.db2.gz GZXXPNFKGWBKNA-HNNXBMFYSA-N 0 0 392.452 3.302 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)CC2CCCCC2)ccc1OC ZINC000113304092 1412290422 /nfs/dbraw/zinc/29/04/22/1412290422.db2.gz HEFFDPVXEKFMQU-KRWDZBQOSA-N 0 0 380.510 3.376 20 30 GGEDRN C#CCOc1ccc(CNCc2ccccc2S(=O)(=O)NC(C)(C)C)cc1 ZINC000113328837 1412293134 /nfs/dbraw/zinc/29/31/34/1412293134.db2.gz HJHSVIUNHYKJLR-UHFFFAOYSA-N 0 0 386.517 3.065 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)NCc2ccc(N(C)C)cc2)ccc1OC ZINC000113366395 1412298846 /nfs/dbraw/zinc/29/88/46/1412298846.db2.gz PFKTYIWKKYFLSS-LJQANCHMSA-N 0 0 396.491 3.442 20 30 GGEDRN CCN(CC)C(=O)c1ccc(CNC(=O)NCc2cccc(OCC#N)c2)cc1 ZINC000113378203 1412300977 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CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cnn(C[C@H]3CCCO3)c2)c1 ZINC000114038374 1412373569 /nfs/dbraw/zinc/37/35/69/1412373569.db2.gz VGTMJZVMZYIVMK-PKOBYXMFSA-N 0 0 383.452 3.065 20 30 GGEDRN CC1CCC(Oc2cc(CNC(=O)C(=O)Nc3cccc(C#N)c3)ccn2)CC1 ZINC000114044178 1412375261 /nfs/dbraw/zinc/37/52/61/1412375261.db2.gz YUTLSLITPPNJKT-UHFFFAOYSA-N 0 0 392.459 3.166 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c1 ZINC000114048302 1412376948 /nfs/dbraw/zinc/37/69/48/1412376948.db2.gz PQAICQBYAIKXDU-INIZCTEOSA-N 0 0 396.834 3.148 20 30 GGEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c1 ZINC000114048304 1412377083 /nfs/dbraw/zinc/37/70/83/1412377083.db2.gz PQAICQBYAIKXDU-MRXNPFEDSA-N 0 0 396.834 3.148 20 30 GGEDRN C[C@H](COc1cccc(C#N)c1)OC(=O)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000114052047 1412377325 /nfs/dbraw/zinc/37/73/25/1412377325.db2.gz OPDQMOSOEUUYMO-CRAIPNDOSA-N 0 0 382.416 3.157 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)C(=O)Nc2ccc3nc(C)oc3c2)c1 ZINC000114048427 1412377357 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C[C@@H](CN1CCOCC1)NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000116727863 1412906558 /nfs/dbraw/zinc/90/65/58/1412906558.db2.gz FZDTYVOHMVZAAI-HNNXBMFYSA-N 0 0 399.878 3.454 20 30 GGEDRN C[C@@H](CN1CCOCC1)NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000116727840 1412907868 /nfs/dbraw/zinc/90/78/68/1412907868.db2.gz GIGYSWRGEFUOOI-HNNXBMFYSA-N 0 0 399.878 3.454 20 30 GGEDRN COc1cc([C@@H](C#N)NC(=O)CCOc2cc(C)cc(C)c2)cc(OC)c1OC ZINC000116739059 1412912060 /nfs/dbraw/zinc/91/20/60/1412912060.db2.gz ULKMJSQGAGNLQF-GOSISDBHSA-N 0 0 398.459 3.479 20 30 GGEDRN CN(CCS(C)(=O)=O)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000116748608 1412914610 /nfs/dbraw/zinc/91/46/10/1412914610.db2.gz VVMYHFHOGCCWIA-UHFFFAOYSA-N 0 0 392.864 3.121 20 30 GGEDRN CC1(C)C(=O)NCCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000116750024 1412915988 /nfs/dbraw/zinc/91/59/88/1412915988.db2.gz YGVCALHDWPEOSM-UHFFFAOYSA-N 0 0 383.835 3.355 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)c3cccc(-n4cccn4)c3)C2)c(F)c1 ZINC000116758283 1412917548 /nfs/dbraw/zinc/91/75/48/1412917548.db2.gz DASBLQDPIQRGJE-SFHVURJKSA-N 0 0 389.434 3.282 20 30 GGEDRN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cccc(CS(=O)(=O)NC(C)(C)C)c2)C1 ZINC000116799266 1412924785 /nfs/dbraw/zinc/92/47/85/1412924785.db2.gz XOLMKHZICYSIHO-FOIQADDNSA-N 0 0 391.537 3.107 20 30 GGEDRN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000116801807 1412925455 /nfs/dbraw/zinc/92/54/55/1412925455.db2.gz GCWWHAVAFRCBAQ-GIPWTMENSA-N 0 0 399.520 3.031 20 30 GGEDRN Cc1occc1C(=O)Nc1nc(CC(=O)N[C@]2(C#N)CCC[C@H](C)C2)cs1 ZINC000116801336 1412925516 /nfs/dbraw/zinc/92/55/16/1412925516.db2.gz IZUMMVOOWVPUFD-HXPMCKFVSA-N 0 0 386.477 3.428 20 30 GGEDRN Cc1occc1C(=O)Nc1nc(CC(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cs1 ZINC000116801341 1412925533 /nfs/dbraw/zinc/92/55/33/1412925533.db2.gz IZUMMVOOWVPUFD-CWTRNNRKSA-N 0 0 386.477 3.428 20 30 GGEDRN Cc1nnc(SCC(=O)N[C@]2(C#N)CCC[C@H](C)C2)n1Cc1ccccc1 ZINC000116802615 1412925550 /nfs/dbraw/zinc/92/55/50/1412925550.db2.gz INKBXJJLAIMWKW-MGPUTAFESA-N 0 0 383.521 3.316 20 30 GGEDRN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000116801804 1412925799 /nfs/dbraw/zinc/92/57/99/1412925799.db2.gz GCWWHAVAFRCBAQ-YBTHPKLGSA-N 0 0 399.520 3.031 20 30 GGEDRN C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000116804371 1412926482 /nfs/dbraw/zinc/92/64/82/1412926482.db2.gz MCHRVWACDHMWJO-OXJNMPFZSA-N 0 0 389.521 3.063 20 30 GGEDRN C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000116809558 1412926943 /nfs/dbraw/zinc/92/69/43/1412926943.db2.gz FBSOTFLXMGOZSD-DJJJIMSYSA-N 0 0 395.500 3.105 20 30 GGEDRN COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000116808536 1412927023 /nfs/dbraw/zinc/92/70/23/1412927023.db2.gz PXKUBYAJANAYCY-VBKZILBWSA-N 0 0 399.520 3.265 20 30 GGEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)CCCc1cccs1 ZINC000116807695 1412927059 /nfs/dbraw/zinc/92/70/59/1412927059.db2.gz AGMAGRJUBHQSFF-UHFFFAOYSA-N 0 0 393.516 3.459 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000116806523 1412927090 /nfs/dbraw/zinc/92/70/90/1412927090.db2.gz LWONTYWOVMGNTJ-QRWLVFNGSA-N 0 0 391.537 3.228 20 30 GGEDRN C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)C1 ZINC000116813584 1412927703 /nfs/dbraw/zinc/92/77/03/1412927703.db2.gz KOUZBJOHVISORR-MGPUTAFESA-N 0 0 389.521 3.110 20 30 GGEDRN C[C@H]1CCC[C@@](C#N)(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000116811920 1412927828 /nfs/dbraw/zinc/92/78/28/1412927828.db2.gz SFZVSQIFPYQOLE-HRAATJIYSA-N 0 0 399.516 3.097 20 30 GGEDRN COc1nn(C)c2nc(C)c(CCC(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)c(C)c12 ZINC000116811523 1412928105 /nfs/dbraw/zinc/92/81/05/1412928105.db2.gz IHTVSQFUBVGNGW-ASSNKEHSSA-N 0 0 383.496 3.115 20 30 GGEDRN C[C@H]1CCC[C@](C#N)(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)C1 ZINC000116813659 1412928272 /nfs/dbraw/zinc/92/82/72/1412928272.db2.gz RSGDUQTUKWSPAL-BTYIYWSLSA-N 0 0 381.432 3.499 20 30 GGEDRN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)C1 ZINC000116814695 1412928333 /nfs/dbraw/zinc/92/83/33/1412928333.db2.gz BFDZUCDBPNNNAK-JLCFBVMHSA-N 0 0 391.427 3.278 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)/C=C/c2ccc(I)o2)C1 ZINC000116814373 1412928411 /nfs/dbraw/zinc/92/84/11/1412928411.db2.gz HAQOWBNIRLHWIR-YWDVGMFKSA-N 0 0 384.217 3.486 20 30 GGEDRN COCCOC1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000116825993 1412932578 /nfs/dbraw/zinc/93/25/78/1412932578.db2.gz FBRAIRQJOQUJNM-UHFFFAOYSA-N 0 0 394.471 3.405 20 30 GGEDRN C=CC[C@H](C)NC(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1 ZINC000116850539 1412942122 /nfs/dbraw/zinc/94/21/22/1412942122.db2.gz IMPIRTAVAAJBFY-AWEZNQCLSA-N 0 0 380.448 3.191 20 30 GGEDRN C=CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000116852513 1412942584 /nfs/dbraw/zinc/94/25/84/1412942584.db2.gz GJTSIKLWFUNXCF-INIZCTEOSA-N 0 0 378.538 3.292 20 30 GGEDRN C=CC[C@H](C)NC(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000116854147 1412942812 /nfs/dbraw/zinc/94/28/12/1412942812.db2.gz NQIYQCBZTIERJL-AWEZNQCLSA-N 0 0 390.530 3.190 20 30 GGEDRN C=CC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000116858497 1412943446 /nfs/dbraw/zinc/94/34/46/1412943446.db2.gz HGOGPQYJAYGFJW-HLLBOEOZSA-N 0 0 394.537 3.247 20 30 GGEDRN C=CC[C@@H](C)NC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000116861489 1412943480 /nfs/dbraw/zinc/94/34/80/1412943480.db2.gz JEIAYYDGYXVSEA-CQSZACIVSA-N 0 0 390.530 3.190 20 30 GGEDRN C=CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 ZINC000116857738 1412943797 /nfs/dbraw/zinc/94/37/97/1412943797.db2.gz QHIXOWLIOZFNKN-CQSZACIVSA-N 0 0 390.530 3.190 20 30 GGEDRN Cc1ccc([C@@H]2COCCN2CCC(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000116894825 1412951497 /nfs/dbraw/zinc/95/14/97/1412951497.db2.gz BZQBIGDAYWXPCM-INIZCTEOSA-N 0 0 385.489 3.412 20 30 GGEDRN C=CC[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br ZINC000116905984 1412953337 /nfs/dbraw/zinc/95/33/37/1412953337.db2.gz PBKVUWSQJHKIRE-QMMMGPOBSA-N 0 0 396.690 3.132 20 30 GGEDRN Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C ZINC000116948589 1412962776 /nfs/dbraw/zinc/96/27/76/1412962776.db2.gz FFARYTKALSHPQW-UHFFFAOYSA-N 0 0 389.415 3.226 20 30 GGEDRN C=C(Br)CNC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000116950683 1412963480 /nfs/dbraw/zinc/96/34/80/1412963480.db2.gz KNHNYVVWMLRVRH-NSHDSACASA-N 0 0 390.228 3.075 20 30 GGEDRN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cccc(-n3cccn3)c2)C1=O ZINC000116974541 1412970021 /nfs/dbraw/zinc/97/00/21/1412970021.db2.gz KARSHWPEYXQBDI-OAQYLSRUSA-N 0 0 397.479 3.188 20 30 GGEDRN N#Cc1ccc(C(=O)NCC(=O)N[C@H](Cc2ccccc2)c2cccs2)cc1 ZINC000116981502 1412970283 /nfs/dbraw/zinc/97/02/83/1412970283.db2.gz UDZLPDFOMFRWEY-LJQANCHMSA-N 0 0 389.480 3.450 20 30 GGEDRN CC(C)Oc1cccc([C@H](O)CNC(=O)CSCc2ccc(C#N)cc2)c1 ZINC000116984445 1412972704 /nfs/dbraw/zinc/97/27/04/1412972704.db2.gz BJNHBHUSVDWYSR-HXUWFJFHSA-N 0 0 384.501 3.428 20 30 GGEDRN C=CC[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1 ZINC000116998696 1412975426 /nfs/dbraw/zinc/97/54/26/1412975426.db2.gz XIADLESKKRAMKC-AWEZNQCLSA-N 0 0 378.498 3.024 20 30 GGEDRN C=CC[C@@H](C)NC(=O)C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC000117075706 1412993922 /nfs/dbraw/zinc/99/39/22/1412993922.db2.gz HYDDYOSVUNHJPK-SNVBAGLBSA-N 0 0 381.404 3.431 20 30 GGEDRN C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1 ZINC000117074597 1412994150 /nfs/dbraw/zinc/99/41/50/1412994150.db2.gz TUYBFNKMRTZRTC-GFCCVEGCSA-N 0 0 379.888 3.278 20 30 GGEDRN C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)N(CC)c2ccccc2)cc1 ZINC000117075683 1412994400 /nfs/dbraw/zinc/99/44/00/1412994400.db2.gz SNSGBTPCUTZFNQ-KRWDZBQOSA-N 0 0 393.487 3.302 20 30 GGEDRN C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000117079395 1412994701 /nfs/dbraw/zinc/99/47/01/1412994701.db2.gz YABNHNRIFNWIHG-MRXNPFEDSA-N 0 0 377.444 3.465 20 30 GGEDRN C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000117079277 1412994977 /nfs/dbraw/zinc/99/49/77/1412994977.db2.gz WDUZFPZZRUPNPN-CHAGWJKLSA-N 0 0 384.501 3.155 20 30 GGEDRN N#CCSCC(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000117152525 1413006995 /nfs/dbraw/zinc/00/69/95/1413006995.db2.gz WWUPDUZBMRIDMI-UHFFFAOYSA-N 0 0 396.440 3.134 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000117188854 1413009148 /nfs/dbraw/zinc/00/91/48/1413009148.db2.gz OKLKASMMWOSEGW-GOSISDBHSA-N 0 0 397.450 3.178 20 30 GGEDRN N#CCOc1ccc(CC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000117206126 1413011842 /nfs/dbraw/zinc/01/18/42/1413011842.db2.gz YWWOGSHLTGPORF-UHFFFAOYSA-N 0 0 380.288 3.475 20 30 GGEDRN CCOC(=O)c1sc(NC(=O)COCc2cccc(OC)c2)c(C#N)c1C ZINC000117207521 1413012242 /nfs/dbraw/zinc/01/22/42/1413012242.db2.gz KMZLYCRVXWIEMB-UHFFFAOYSA-N 0 0 388.445 3.269 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000117242804 1413018272 /nfs/dbraw/zinc/01/82/72/1413018272.db2.gz CWHRKPBXTLJXFX-UHFFFAOYSA-N 0 0 392.371 3.347 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000117245361 1413018643 /nfs/dbraw/zinc/01/86/43/1413018643.db2.gz VGCUBDPBKRIYMA-UHFFFAOYSA-N 0 0 376.372 3.305 20 30 GGEDRN COc1ccc(Cc2nn(CN(CCC#N)CC3CC3)c(=S)o2)cc1OC ZINC000117319988 1413025224 /nfs/dbraw/zinc/02/52/24/1413025224.db2.gz IPACNNOGSXNAMI-UHFFFAOYSA-N 0 0 388.493 3.397 20 30 GGEDRN FC(F)(F)c1nnc2ccc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)nn21 ZINC000117327416 1413026112 /nfs/dbraw/zinc/02/61/12/1413026112.db2.gz INGCAJIGAUWJCC-UHFFFAOYSA-N 0 0 393.213 3.464 20 30 GGEDRN N#Cc1ccc(N2CC[C@@H](N3CCC(C(F)(F)F)(C(F)(F)F)C3)C2=O)cc1 ZINC000117350825 1413028749 /nfs/dbraw/zinc/02/87/49/1413028749.db2.gz IBNGOKLPGWIEKS-CYBMUJFWSA-N 0 0 391.315 3.480 20 30 GGEDRN Cc1nc(-c2ccc(S(=O)(=O)N(CCC#N)Cc3ccccn3)cc2)co1 ZINC000117363588 1413030856 /nfs/dbraw/zinc/03/08/56/1413030856.db2.gz WOVQIDQYHMPIEQ-UHFFFAOYSA-N 0 0 382.445 3.150 20 30 GGEDRN Cc1cc(S(=O)(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cnc1Cl ZINC000117363756 1413031374 /nfs/dbraw/zinc/03/13/74/1413031374.db2.gz NWGKRINEBMMMHR-UHFFFAOYSA-N 0 0 391.880 3.147 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCc2ccccc2C1 ZINC000117520015 1413046242 /nfs/dbraw/zinc/04/62/42/1413046242.db2.gz RQHCZSULRVHDBX-KRWDZBQOSA-N 0 0 391.471 3.205 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CC)CC2)cc1 ZINC000117518769 1413046252 /nfs/dbraw/zinc/04/62/52/1413046252.db2.gz FHSGFGAGVXNWKU-GOSISDBHSA-N 0 0 397.519 3.478 20 30 GGEDRN Cc1cc(F)ccc1NC(=O)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117526960 1413048400 /nfs/dbraw/zinc/04/84/00/1413048400.db2.gz RQWKLRVUYGQYDC-UHFFFAOYSA-N 0 0 386.267 3.416 20 30 GGEDRN O=C(Nc1cc(F)cc(F)c1)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117527014 1413048819 /nfs/dbraw/zinc/04/88/19/1413048819.db2.gz ISKSHGDWTSUTSU-UHFFFAOYSA-N 0 0 390.230 3.247 20 30 GGEDRN Cc1ccc(NC(=O)C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1F ZINC000117527144 1413049172 /nfs/dbraw/zinc/04/91/72/1413049172.db2.gz AZRQAMGWZVLEEJ-UHFFFAOYSA-N 0 0 386.267 3.416 20 30 GGEDRN O=C(Nc1ccc(F)cc1F)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117527140 1413049225 /nfs/dbraw/zinc/04/92/25/1413049225.db2.gz ALSAKIJNOBSJIK-UHFFFAOYSA-N 0 0 390.230 3.247 20 30 GGEDRN N#CCc1ccc(OCc2cccc(NC(=O)COC[C@@H]3CCOC3)c2)cc1 ZINC000117615820 1413057053 /nfs/dbraw/zinc/05/70/53/1413057053.db2.gz MVXYRUHAZPZXKS-LJQANCHMSA-N 0 0 380.444 3.323 20 30 GGEDRN COc1cccc(C[C@@H](NC(C)=O)C(=O)Nc2sc3c(c2C#N)CCCC3)c1 ZINC000117631160 1413058539 /nfs/dbraw/zinc/05/85/39/1413058539.db2.gz AJMJRFXGNJURBR-GOSISDBHSA-N 0 0 397.500 3.193 20 30 GGEDRN C/C=C/C=C\C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC000117635521 1413058963 /nfs/dbraw/zinc/05/89/63/1413058963.db2.gz OKJBRUQBVPXXLX-SYZNHORVSA-N 0 0 375.494 3.350 20 30 GGEDRN N#Cc1cccc(COc2ccc(NC(=O)COC[C@@H]3CCOC3)cc2F)c1 ZINC000117649814 1413060639 /nfs/dbraw/zinc/06/06/39/1413060639.db2.gz WLBZXXRCXLNFHG-QGZVFWFLSA-N 0 0 384.407 3.268 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(F)cc2F)c1 ZINC000117670674 1413063619 /nfs/dbraw/zinc/06/36/19/1413063619.db2.gz AKXVSKIEWQQNQI-UHFFFAOYSA-N 0 0 384.382 3.006 20 30 GGEDRN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000117701121 1413066648 /nfs/dbraw/zinc/06/66/48/1413066648.db2.gz XKOFUYNAJZMXRK-KRWDZBQOSA-N 0 0 392.503 3.367 20 30 GGEDRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 ZINC000117708919 1413069076 /nfs/dbraw/zinc/06/90/76/1413069076.db2.gz OTWXQNJYQNRUBQ-FQEVSTJZSA-N 0 0 391.471 3.438 20 30 GGEDRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccn(CCC#N)n2)CC1=O ZINC000117711202 1413070373 /nfs/dbraw/zinc/07/03/73/1413070373.db2.gz SJLQPCNZKBDFKF-HOTGVXAUSA-N 0 0 379.464 3.302 20 30 GGEDRN N#CCCn1ccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)n1 ZINC000117718522 1413070703 /nfs/dbraw/zinc/07/07/03/1413070703.db2.gz UHLLUOMIIOBRQQ-UHFFFAOYSA-N 0 0 382.374 3.002 20 30 GGEDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000117717903 1413070775 /nfs/dbraw/zinc/07/07/75/1413070775.db2.gz XVZJSYCGEFULIZ-UHFFFAOYSA-N 0 0 382.424 3.194 20 30 GGEDRN N#CCCn1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)n1 ZINC000117716509 1413070991 /nfs/dbraw/zinc/07/09/91/1413070991.db2.gz KVKYNNRZPIUDFN-UHFFFAOYSA-N 0 0 376.445 3.354 20 30 GGEDRN Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccn(CCC#N)n2)c1 ZINC000117716417 1413071035 /nfs/dbraw/zinc/07/10/35/1413071035.db2.gz BUWWTOIIJHCVOP-UHFFFAOYSA-N 0 0 380.477 3.330 20 30 GGEDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccn(CCC#N)n3)cc2[N+](=O)[O-])C1 ZINC000117715610 1413071163 /nfs/dbraw/zinc/07/11/63/1413071163.db2.gz KWNRJTRZZMHOKI-HUUCEWRRSA-N 0 0 396.451 3.440 20 30 GGEDRN N#CCCn1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)n1 ZINC000117716915 1413071200 /nfs/dbraw/zinc/07/12/00/1413071200.db2.gz LGYJSFDKMYWBSW-UHFFFAOYSA-N 0 0 383.415 3.297 20 30 GGEDRN CCn1c(SCC(=O)Nc2ccn(CCC#N)n2)nnc1-c1cccc(C)c1 ZINC000117718838 1413071470 /nfs/dbraw/zinc/07/14/70/1413071470.db2.gz NKBLAAIJNGXZOK-UHFFFAOYSA-N 0 0 395.492 3.114 20 30 GGEDRN N#Cc1cccc(OCCCCC(=O)Nc2nncn2Cc2ccccc2)c1 ZINC000117735011 1413073013 /nfs/dbraw/zinc/07/30/13/1413073013.db2.gz RWUKRVRVPHMEAZ-UHFFFAOYSA-N 0 0 375.432 3.386 20 30 GGEDRN 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GGEDRN COc1ccc(C(=O)N2CCN([C@H](C)c3ccc(C#N)cc3)CC2)cc1OC ZINC000118392250 1413158484 /nfs/dbraw/zinc/15/84/84/1413158484.db2.gz WIWFXFVPJHMOIZ-MRXNPFEDSA-N 0 0 379.460 3.094 20 30 GGEDRN COC[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000118435281 1413160132 /nfs/dbraw/zinc/16/01/32/1413160132.db2.gz SOZCYKWPTLFEPO-QGZVFWFLSA-N 0 0 398.406 3.384 20 30 GGEDRN COC(=O)CCCS(=O)(=O)O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC000118434306 1413160142 /nfs/dbraw/zinc/16/01/42/1413160142.db2.gz VGOFEVIRYFWMJQ-LBPRGKRZSA-N 0 0 388.791 3.113 20 30 GGEDRN COC(=O)CCCS(=O)(=O)O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC000118434309 1413160555 /nfs/dbraw/zinc/16/05/55/1413160555.db2.gz VGOFEVIRYFWMJQ-GFCCVEGCSA-N 0 0 388.791 3.113 20 30 GGEDRN COC[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000118435279 1413160588 /nfs/dbraw/zinc/16/05/88/1413160588.db2.gz SOZCYKWPTLFEPO-KRWDZBQOSA-N 0 0 398.406 3.384 20 30 GGEDRN C[C@H](OC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1ccc(C#N)cc1 ZINC000118443095 1413161426 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387.299 3.365 20 30 GGEDRN C#Cc1cccc(NC(=O)C(=O)N[C@@H](COC)c2cccc(C(F)(F)F)c2)c1 ZINC000118591741 1413189045 /nfs/dbraw/zinc/18/90/45/1413189045.db2.gz BKGMUWVMAZXFCQ-KRWDZBQOSA-N 0 0 390.361 3.129 20 30 GGEDRN COC[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000118591807 1413189292 /nfs/dbraw/zinc/18/92/92/1413189292.db2.gz XHPFOWBMFGIASF-INIZCTEOSA-N 0 0 391.349 3.019 20 30 GGEDRN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000118596090 1413193402 /nfs/dbraw/zinc/19/34/02/1413193402.db2.gz HIDGFBOCVJCHRV-MAUKXSAKSA-N 0 0 385.508 3.384 20 30 GGEDRN COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(C#N)cc3)CCC(=O)N2C)cc1 ZINC000118601690 1413193868 /nfs/dbraw/zinc/19/38/68/1413193868.db2.gz CSOVQUVGJQDPTG-WIYYLYMNSA-N 0 0 378.428 3.333 20 30 GGEDRN C#CC[C@H](OC(=O)c1cc(S(=O)(=O)CC)ccc1Cl)c1ccccn1 ZINC000118600628 1413193870 /nfs/dbraw/zinc/19/38/70/1413193870.db2.gz UUAZQPAEHFJJOD-KRWDZBQOSA-N 0 0 377.849 3.450 20 30 GGEDRN 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C=CCn1c(S[C@@H](C)c2nc(N)nc(N(C)C)n2)nnc1-c1ccc(C)cc1 ZINC000122479901 1414476178 /nfs/dbraw/zinc/47/61/78/1414476178.db2.gz JOOYMMMZRGXLLO-ZDUSSCGKSA-N 0 0 396.524 3.126 20 30 GGEDRN Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cc(C#N)cn2C(C)(C)C)no1 ZINC000122482971 1414477062 /nfs/dbraw/zinc/47/70/62/1414477062.db2.gz CGUPSTKYTJIWJG-GFCCVEGCSA-N 0 0 389.481 3.110 20 30 GGEDRN C=CCn1c(S[C@@H](C)c2nc(-c3nc[nH]n3)no2)nnc1-c1ccc(C)cc1 ZINC000122488667 1414478913 /nfs/dbraw/zinc/47/89/13/1414478913.db2.gz QMZIOCZWPGWHOR-LBPRGKRZSA-N 0 0 394.464 3.461 20 30 GGEDRN C=CCn1c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nnc1-c1ccc(C)cc1 ZINC000122490486 1414479591 /nfs/dbraw/zinc/47/95/91/1414479591.db2.gz CQCBRDRVCWAVMK-WBVHZDCISA-N 0 0 386.521 3.215 20 30 GGEDRN C=CCn1c(C)nn(CN2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1=S ZINC000122493179 1414480201 /nfs/dbraw/zinc/48/02/01/1414480201.db2.gz OELFPTQACJHGNO-GDBMZVCRSA-N 0 0 395.573 3.491 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)NCCc2cc3ccccc3o2)c1 ZINC000122510744 1414486287 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C=CCNC(=O)c1cccc(S(=O)(=O)NC2(c3cccc(Cl)c3)CC2)c1 ZINC000122545987 1414496562 /nfs/dbraw/zinc/49/65/62/1414496562.db2.gz IYAXJLLHMAUNAD-UHFFFAOYSA-N 0 0 390.892 3.223 20 30 GGEDRN N#Cc1ccc(NC(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)cc1Cl ZINC000122555996 1414499550 /nfs/dbraw/zinc/49/95/50/1414499550.db2.gz ICEDKHJSVZTBCI-UHFFFAOYSA-N 0 0 388.777 3.134 20 30 GGEDRN CC(C)(C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)c(F)c1 ZINC000122557643 1414499807 /nfs/dbraw/zinc/49/98/07/1414499807.db2.gz KCZKREKTNRFDRK-UHFFFAOYSA-N 0 0 376.409 3.453 20 30 GGEDRN N#Cc1ccc(CCC(=O)NCc2ccc(C(=O)Nc3ccncc3)cc2)cc1 ZINC000122564950 1414502233 /nfs/dbraw/zinc/50/22/33/1414502233.db2.gz IFJUFLCDYGPOSR-UHFFFAOYSA-N 0 0 384.439 3.455 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)Nc2cccc(OCCF)c2)CC1 ZINC000122588430 1414509707 /nfs/dbraw/zinc/50/97/07/1414509707.db2.gz NRJQSQLJZUYZAD-UHFFFAOYSA-N 0 0 386.402 3.400 20 30 GGEDRN Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C/c1cccc(OC(C)C)c1 ZINC000122593217 1414511466 /nfs/dbraw/zinc/51/14/66/1414511466.db2.gz LAIRKUKNNDFMMJ-MDZDMXLPSA-N 0 0 390.505 3.228 20 30 GGEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000122618755 1414519656 /nfs/dbraw/zinc/51/96/56/1414519656.db2.gz UKLNASIRWBZLPH-UHFFFAOYSA-N 0 0 395.350 3.024 20 30 GGEDRN COc1cc(CNC(=O)COc2ccccc2C#N)ccc1OCC(F)(F)F ZINC000122621504 1414520698 /nfs/dbraw/zinc/52/06/98/1414520698.db2.gz JCIZLOWQSBVLBF-UHFFFAOYSA-N 0 0 394.349 3.203 20 30 GGEDRN CC(=O)Nc1cccc(OS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000177625636 1428814987 /nfs/dbraw/zinc/81/49/87/1428814987.db2.gz UUPWRKQPNNEIHO-UHFFFAOYSA-N 0 0 384.335 3.303 20 30 GGEDRN CCCOc1cccc(/C=C/C(=O)c2c(C)nn(CCS(C)(=O)=O)c2C)c1 ZINC000122631834 1414523524 /nfs/dbraw/zinc/52/35/24/1414523524.db2.gz HHXQVGMAFJJWLS-MDZDMXLPSA-N 0 0 390.505 3.229 20 30 GGEDRN C=C[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 ZINC000122634033 1414524519 /nfs/dbraw/zinc/52/45/19/1414524519.db2.gz IXKXAYGDBHNCKF-IBGZPJMESA-N 0 0 398.528 3.188 20 30 GGEDRN COc1ccc(/C=C/C(=O)c2c(C)nn(CCS(C)(=O)=O)c2C)cc1Cl ZINC000122636351 1414524994 /nfs/dbraw/zinc/52/49/94/1414524994.db2.gz ZQQRPUMPAJXVIG-FNORWQNLSA-N 0 0 396.896 3.103 20 30 GGEDRN Cn1cccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177627640 1428815413 /nfs/dbraw/zinc/81/54/13/1428815413.db2.gz NTEFRYSGHJZCTO-INIZCTEOSA-N 0 0 383.395 3.441 20 30 GGEDRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCC#N)CC(F)(F)F)c1 ZINC000177627724 1428815445 /nfs/dbraw/zinc/81/54/45/1428815445.db2.gz UPTAYPJKLSQVBX-UHFFFAOYSA-N 0 0 382.791 3.052 20 30 GGEDRN Cc1c(C(=O)N(CCC#N)CC(F)(F)F)nnn1-c1cccc2ncccc21 ZINC000177627693 1428815625 /nfs/dbraw/zinc/81/56/25/1428815625.db2.gz BFZOCPWGUKDHAV-UHFFFAOYSA-N 0 0 388.353 3.042 20 30 GGEDRN C=CCc1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc(OC)c1OC ZINC000122656554 1414530913 /nfs/dbraw/zinc/53/09/13/1414530913.db2.gz VWXDTVLBBWSEFH-UHFFFAOYSA-N 0 0 382.376 3.469 20 30 GGEDRN N#Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)cc1 ZINC000122663916 1414532887 /nfs/dbraw/zinc/53/28/87/1414532887.db2.gz WQUSPPOUTKBUEX-UHFFFAOYSA-N 0 0 382.466 3.383 20 30 GGEDRN CC(=O)Nc1cccc(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000177629164 1428815920 /nfs/dbraw/zinc/81/59/20/1428815920.db2.gz CYLBMXJHNOIERU-UHFFFAOYSA-N 0 0 397.378 3.014 20 30 GGEDRN C[C@H](C[C@H](O)c1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000122676353 1414535500 /nfs/dbraw/zinc/53/55/00/1414535500.db2.gz HFDCDISUHLKBEC-WBMJQRKESA-N 0 0 398.406 3.368 20 30 GGEDRN CN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177628396 1428816038 /nfs/dbraw/zinc/81/60/38/1428816038.db2.gz KNSMEGAOPRUPET-UHFFFAOYSA-N 0 0 379.363 3.269 20 30 GGEDRN CC(=O)Nc1ccc(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000177627795 1428816042 /nfs/dbraw/zinc/81/60/42/1428816042.db2.gz WFLKVHCCQQEICM-UHFFFAOYSA-N 0 0 397.378 3.014 20 30 GGEDRN N#CCOc1cccc(CC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000122685433 1414537919 /nfs/dbraw/zinc/53/79/19/1414537919.db2.gz NJAQQKJKQLZQFG-UHFFFAOYSA-N 0 0 392.333 3.332 20 30 GGEDRN COc1cc(CC(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc(OC)c1OC ZINC000122689164 1414539207 /nfs/dbraw/zinc/53/92/07/1414539207.db2.gz RRHZFHOLHRVXDE-CQSZACIVSA-N 0 0 379.416 3.018 20 30 GGEDRN COCCN(C(=O)CCc1ccc(C#N)cc1)c1cccc(Br)n1 ZINC000122699612 1414541784 /nfs/dbraw/zinc/54/17/84/1414541784.db2.gz MHLUZABVVPDNDU-UHFFFAOYSA-N 0 0 388.265 3.328 20 30 GGEDRN CC(C)N(Cc1ccc(C#N)cc1)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O ZINC000122700521 1414542516 /nfs/dbraw/zinc/54/25/16/1414542516.db2.gz ZADDUDCCLMGVHH-JOCHJYFZSA-N 0 0 394.450 3.332 20 30 GGEDRN COCc1cccc(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000177629471 1428816548 /nfs/dbraw/zinc/81/65/48/1428816548.db2.gz FXTQKAKPLLTBQW-UHFFFAOYSA-N 0 0 384.379 3.202 20 30 GGEDRN C[C@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000122708517 1414544346 /nfs/dbraw/zinc/54/43/46/1414544346.db2.gz NOGQMLVMHYPCOB-HNNXBMFYSA-N 0 0 377.448 3.307 20 30 GGEDRN C[C@@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000122708717 1414544517 /nfs/dbraw/zinc/54/45/17/1414544517.db2.gz NOGQMLVMHYPCOB-OAHLLOKOSA-N 0 0 377.448 3.307 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)Nc3ccc(F)c(F)c3F)CC2)c(F)c1 ZINC000122718153 1414547036 /nfs/dbraw/zinc/54/70/36/1414547036.db2.gz KBSJKTZFIFXIAF-UHFFFAOYSA-N 0 0 378.329 3.469 20 30 GGEDRN C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(C#N)cc1 ZINC000122716766 1414547063 /nfs/dbraw/zinc/54/70/63/1414547063.db2.gz ILWFDZSPHBUDOM-KRWDZBQOSA-N 0 0 392.503 3.327 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000177632742 1428817080 /nfs/dbraw/zinc/81/70/80/1428817080.db2.gz VIGBYUWDKBHIPL-UHFFFAOYSA-N 0 0 399.417 3.037 20 30 GGEDRN C[C@@H](CCCO)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000122737928 1414552883 /nfs/dbraw/zinc/55/28/83/1414552883.db2.gz OIGQGPZQIYZVGI-KBXCAEBGSA-N 0 0 399.878 3.211 20 30 GGEDRN N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H]3C=CCCC3)cc2F)c1 ZINC000122752127 1414556524 /nfs/dbraw/zinc/55/65/24/1414556524.db2.gz MVSYHRUFLMMDEV-KRWDZBQOSA-N 0 0 393.418 3.440 20 30 GGEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)c2cccc(NC(=O)N(C)C)c2)c1 ZINC000122754030 1414556542 /nfs/dbraw/zinc/55/65/42/1414556542.db2.gz UDRMRHJFBQUFGC-GOSISDBHSA-N 0 0 380.448 3.391 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cccc(NC(=O)N(C)C)c2)c1 ZINC000122753850 1414556665 /nfs/dbraw/zinc/55/66/65/1414556665.db2.gz UDRMRHJFBQUFGC-SFHVURJKSA-N 0 0 380.448 3.391 20 30 GGEDRN CC(C)CCn1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n1 ZINC000122769887 1414559985 /nfs/dbraw/zinc/55/99/85/1414559985.db2.gz FUBXSHVAPSEQDU-UHFFFAOYSA-N 0 0 388.493 3.259 20 30 GGEDRN N#Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1Cl ZINC000122778326 1414562630 /nfs/dbraw/zinc/56/26/30/1414562630.db2.gz LRVVDALUSGWZDH-UHFFFAOYSA-N 0 0 386.814 3.341 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)C(=O)NCC2(c3cccc(F)c3)CC2)cc1 ZINC000122800959 1414568108 /nfs/dbraw/zinc/56/81/08/1414568108.db2.gz NHLHQRACGPBGHU-UHFFFAOYSA-N 0 0 379.435 3.413 20 30 GGEDRN C=CCn1c(C)nn(CN2CC[C@H](CN(CC)CC(F)(F)F)C2)c1=S ZINC000177638342 1428818911 /nfs/dbraw/zinc/81/89/11/1428818911.db2.gz VZDWETWHMVIHDC-CQSZACIVSA-N 0 0 377.480 3.072 20 30 GGEDRN Cc1nc(C)c(C(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)s1 ZINC000122811456 1414570485 /nfs/dbraw/zinc/57/04/85/1414570485.db2.gz JCFIXEOUPRTBPP-UHFFFAOYSA-N 0 0 394.504 3.071 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000122813251 1414571031 /nfs/dbraw/zinc/57/10/31/1414571031.db2.gz YEOXGUHQMLVKAC-UHFFFAOYSA-N 0 0 391.836 3.473 20 30 GGEDRN Cc1cccc(N(CCC#N)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC000122812431 1414571185 /nfs/dbraw/zinc/57/11/85/1414571185.db2.gz RIRCYLZTXRQBEN-UHFFFAOYSA-N 0 0 383.473 3.334 20 30 GGEDRN COc1ccc(C(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)cc1 ZINC000122814480 1414571234 /nfs/dbraw/zinc/57/12/34/1414571234.db2.gz UQPXSMPWAKTDOI-UHFFFAOYSA-N 0 0 389.459 3.006 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCC[C@H]1OCc1ccccc1 ZINC000122817190 1414572443 /nfs/dbraw/zinc/57/24/43/1414572443.db2.gz TVDQGZKDVOPDDO-LEWJYISDSA-N 0 0 393.487 3.050 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)c3cccc(F)c3)c(C#N)c2N)cc1 ZINC000122820894 1414573687 /nfs/dbraw/zinc/57/36/87/1414573687.db2.gz FYSLAZDDTAOHHX-UHFFFAOYSA-N 0 0 377.423 3.136 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)Cc3ccc(F)cc3)c(C#N)c2N)cc1 ZINC000122820666 1414573859 /nfs/dbraw/zinc/57/38/59/1414573859.db2.gz ZZTHXOBTIRZGFL-UHFFFAOYSA-N 0 0 391.450 3.065 20 30 GGEDRN COc1cccc(C(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)c1 ZINC000122823188 1414574069 /nfs/dbraw/zinc/57/40/69/1414574069.db2.gz UQTGVAFFXOQFFP-UHFFFAOYSA-N 0 0 389.459 3.006 20 30 GGEDRN N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(c2cc(F)ccc2F)CC1 ZINC000177639467 1428819420 /nfs/dbraw/zinc/81/94/20/1428819420.db2.gz FLVXQWOQZUUZOP-UHFFFAOYSA-N 0 0 390.821 3.251 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)c3cc(C)ccc3O)c(C#N)c2N)cc1 ZINC000122844884 1414578751 /nfs/dbraw/zinc/57/87/51/1414578751.db2.gz LNTBBWJYDXOFPQ-UHFFFAOYSA-N 0 0 389.459 3.011 20 30 GGEDRN C=C(Br)CNC(=O)NCCCc1cc2c(cc(OC)cc2OC)[nH]1 ZINC000122854440 1414580703 /nfs/dbraw/zinc/58/07/03/1414580703.db2.gz UGCNPITUJFNNGS-UHFFFAOYSA-N 0 0 396.285 3.326 20 30 GGEDRN CCCCc1nnc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)s1 ZINC000122852868 1414580901 /nfs/dbraw/zinc/58/09/01/1414580901.db2.gz BXUBFYRABGVPEB-UHFFFAOYSA-N 0 0 388.472 3.246 20 30 GGEDRN C[C@@H](c1ccc(C#N)cc1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000122868112 1414584354 /nfs/dbraw/zinc/58/43/54/1414584354.db2.gz NJMSIPWQOMKGIO-KRWDZBQOSA-N 0 0 378.476 3.026 20 30 GGEDRN CCCCCc1nnc(NC(=O)N2CCN(c3ccccc3C#N)CC2)s1 ZINC000122869838 1414584902 /nfs/dbraw/zinc/58/49/02/1414584902.db2.gz OYKVNZBVXAQSQR-UHFFFAOYSA-N 0 0 384.509 3.497 20 30 GGEDRN C[C@H](c1ccc(C#N)cc1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000122868337 1414585296 /nfs/dbraw/zinc/58/52/96/1414585296.db2.gz NJMSIPWQOMKGIO-QGZVFWFLSA-N 0 0 378.476 3.026 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)c2cc(C)oc2C)cc1 ZINC000122873606 1414585794 /nfs/dbraw/zinc/58/57/94/1414585794.db2.gz RPIUJQFIKCFJOE-CYBMUJFWSA-N 0 0 384.436 3.020 20 30 GGEDRN 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GGEDRN N#Cc1cccc(OC2CCN(C(=O)c3cccc(OCC(F)F)n3)CC2)c1 ZINC000124254739 1414922191 /nfs/dbraw/zinc/92/21/91/1414922191.db2.gz NSCJVEDEMRCMFJ-UHFFFAOYSA-N 0 0 387.386 3.281 20 30 GGEDRN CCN(C(=O)C(=O)Nc1ccn(CCC#N)n1)[C@@H](C)c1cc2ccccc2o1 ZINC000124260114 1414923731 /nfs/dbraw/zinc/92/37/31/1414923731.db2.gz SBHORTYZIOYPHO-AWEZNQCLSA-N 0 0 379.420 3.091 20 30 GGEDRN COC(=O)[C@H](NCc1ccc(C)cc1OC[C@H]1CCCO1)c1cccc(C#N)c1 ZINC000124265379 1414924261 /nfs/dbraw/zinc/92/42/61/1414924261.db2.gz LRYOXUNSELOLTM-IFMALSPDSA-N 0 0 394.471 3.428 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3c(Cl)cccc3C2)c1 ZINC000124281378 1414928673 /nfs/dbraw/zinc/92/86/73/1414928673.db2.gz YGEZEQMHDOECEC-UHFFFAOYSA-N 0 0 390.892 3.003 20 30 GGEDRN CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000124293802 1414931594 /nfs/dbraw/zinc/93/15/94/1414931594.db2.gz SXQRRFYYMWERAZ-FQEVSTJZSA-N 0 0 379.460 3.028 20 30 GGEDRN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 ZINC000177750385 1428849479 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CNc1nc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cs1 ZINC000125752090 1415270379 /nfs/dbraw/zinc/27/03/79/1415270379.db2.gz OVRZYJRABYBMDX-UHFFFAOYSA-N 0 0 385.371 3.319 20 30 GGEDRN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc(F)cc1C#N ZINC000177899715 1428886975 /nfs/dbraw/zinc/88/69/75/1428886975.db2.gz QKTNWSBXABGUHR-KRWDZBQOSA-N 0 0 396.466 3.452 20 30 GGEDRN N#Cc1cc(F)ccc1NC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000177898927 1428887121 /nfs/dbraw/zinc/88/71/21/1428887121.db2.gz XEHVSSKZPBITSZ-CQSZACIVSA-N 0 0 397.328 3.278 20 30 GGEDRN Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C#N)c(Cl)c2)s1 ZINC000125763979 1415274031 /nfs/dbraw/zinc/27/40/31/1415274031.db2.gz UKGBBIWRNKABGY-ZDUSSCGKSA-N 0 0 392.893 3.130 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000125769340 1415275548 /nfs/dbraw/zinc/27/55/48/1415275548.db2.gz XMJYBDCHUBCVQQ-QFIPXVFZSA-N 0 0 396.491 3.282 20 30 GGEDRN C=CCn1c(SCC(=O)N(C)CC[C@@H](C)O)nnc1-c1ccc(Cl)cc1 ZINC000125790961 1415281714 /nfs/dbraw/zinc/28/17/14/1415281714.db2.gz JZOOTYYQVJRKNN-CYBMUJFWSA-N 0 0 394.928 3.106 20 30 GGEDRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)C#N)c2)cc1 ZINC000125798156 1415284015 /nfs/dbraw/zinc/28/40/15/1415284015.db2.gz OHMIXLSSAZEYOH-HNNXBMFYSA-N 0 0 385.489 3.472 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)c(F)c1 ZINC000125800302 1415284507 /nfs/dbraw/zinc/28/45/07/1415284507.db2.gz IQUFTYGAZLTHCA-SWLSCSKDSA-N 0 0 398.456 3.175 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(F)c1 ZINC000125802785 1415284875 /nfs/dbraw/zinc/28/48/75/1415284875.db2.gz CBRRDSYQOHVXLM-CRAIPNDOSA-N 0 0 387.411 3.297 20 30 GGEDRN N#CCc1ccc(S(=O)(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000125811935 1415287768 /nfs/dbraw/zinc/28/77/68/1415287768.db2.gz YROZTCPIKWZFGH-RDJZCZTQSA-N 0 0 376.503 3.091 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](C(C)C)CC2)cc1 ZINC000125820430 1415289295 /nfs/dbraw/zinc/28/92/95/1415289295.db2.gz RNZRVESZVRLOFW-INIZCTEOSA-N 0 0 386.496 3.217 20 30 GGEDRN N#Cc1cc(F)ccc1NC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000177918278 1428890992 /nfs/dbraw/zinc/89/09/92/1428890992.db2.gz FDKGRKBIEIWENZ-UHFFFAOYSA-N 0 0 386.814 3.227 20 30 GGEDRN C=C(Br)CSc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1N ZINC000125826122 1415291253 /nfs/dbraw/zinc/29/12/53/1415291253.db2.gz JCNNLXODTYOHOO-UHFFFAOYSA-N 0 0 377.271 3.050 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1Cl ZINC000125828348 1415292025 /nfs/dbraw/zinc/29/20/25/1415292025.db2.gz BKBLVBOOHULLJC-IFXJQAMLSA-N 0 0 397.862 3.434 20 30 GGEDRN CCN([C@@H](COC)Cc1ccccc1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125833024 1415293016 /nfs/dbraw/zinc/29/30/16/1415293016.db2.gz XMYKATFZLBWYMI-MRXNPFEDSA-N 0 0 394.443 3.105 20 30 GGEDRN CCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1nnc2ccccn21 ZINC000125853153 1415297438 /nfs/dbraw/zinc/29/74/38/1415297438.db2.gz FVPCISDRXYWGFY-CQSZACIVSA-N 0 0 389.868 3.074 20 30 GGEDRN N#C[C@H](NC(=O)CNC(=O)c1ccc(F)c(F)c1)c1cccc(Cl)c1Cl ZINC000125873814 1415301662 /nfs/dbraw/zinc/30/16/62/1415301662.db2.gz RKOUTHDSFGNEIY-AWEZNQCLSA-N 0 0 398.196 3.382 20 30 GGEDRN N#C[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1F)c1cccc(Cl)c1Cl ZINC000125872639 1415301844 /nfs/dbraw/zinc/30/18/44/1415301844.db2.gz LOENAJURHMWMTP-CQSZACIVSA-N 0 0 398.196 3.382 20 30 GGEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)CNC(=O)c2cc(F)cc(F)c2)cc1 ZINC000125876048 1415302324 /nfs/dbraw/zinc/30/23/24/1415302324.db2.gz MPHXKSSQEYUPRM-SFHVURJKSA-N 0 0 385.414 3.373 20 30 GGEDRN N#CCCN(CCN1CCOCC1)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000125882632 1415304434 /nfs/dbraw/zinc/30/44/34/1415304434.db2.gz KXTZHGFJLKTLKK-UHFFFAOYSA-N 0 0 398.429 3.261 20 30 GGEDRN C[C@H]1OCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@H]1C ZINC000125889701 1415306037 /nfs/dbraw/zinc/30/60/37/1415306037.db2.gz PJOSDGAZMZUYDW-LSDHHAIUSA-N 0 0 378.432 3.452 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000125890441 1415306119 /nfs/dbraw/zinc/30/61/19/1415306119.db2.gz DUGDFVFBJNINEX-CQSZACIVSA-N 0 0 377.400 3.478 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000125907345 1415309373 /nfs/dbraw/zinc/30/93/73/1415309373.db2.gz FJZHFIFMPGUJSZ-HXUWFJFHSA-N 0 0 382.508 3.150 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(C3CC3)nc3onc(C)c32)c1 ZINC000125908907 1415309892 /nfs/dbraw/zinc/30/98/92/1415309892.db2.gz HEPBYXKKTJXETJ-UHFFFAOYSA-N 0 0 388.427 3.101 20 30 GGEDRN COc1ccc([C@@H](C#N)N2CCN(C(=O)CSc3ccccc3)CC2)cc1 ZINC000125914993 1415311686 /nfs/dbraw/zinc/31/16/86/1415311686.db2.gz SVRHMSKYSDDCQX-HXUWFJFHSA-N 0 0 381.501 3.196 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000125918392 1415312336 /nfs/dbraw/zinc/31/23/36/1415312336.db2.gz NANBHOOTVFAKMR-UHFFFAOYSA-N 0 0 377.444 3.263 20 30 GGEDRN C[C@H](C#N)Oc1ccc(CNc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)cc1 ZINC000125917692 1415312400 /nfs/dbraw/zinc/31/24/00/1415312400.db2.gz QXXBRZCEDCFBQL-IEBWSBKVSA-N 0 0 393.487 3.434 20 30 GGEDRN Cc1nc(Cc2nnc(S[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)o2)cs1 ZINC000125918635 1415313166 /nfs/dbraw/zinc/31/31/66/1415313166.db2.gz KEBIWUZSCQMVQS-OAHLLOKOSA-N 0 0 397.485 3.195 20 30 GGEDRN Cc1ccccc1-n1cnnc1S[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000125920481 1415313732 /nfs/dbraw/zinc/31/37/32/1415313732.db2.gz URYYRJCRVACSBS-GOSISDBHSA-N 0 0 375.457 3.345 20 30 GGEDRN CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1(CC)CC ZINC000125923317 1415314621 /nfs/dbraw/zinc/31/46/21/1415314621.db2.gz ASCOSPJABQLAFV-DLBZAZTESA-N 0 0 395.481 3.071 20 30 GGEDRN Cn1c(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)nnc1-c1ccccc1 ZINC000125947799 1415319530 /nfs/dbraw/zinc/31/95/30/1415319530.db2.gz GQUZGWWIGPSCHY-QGZVFWFLSA-N 0 0 375.457 3.251 20 30 GGEDRN COc1ccc(NC(=O)c2ccccc2NCC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000125952220 1415321023 /nfs/dbraw/zinc/32/10/23/1415321023.db2.gz ZLTQZPYSXWLXRT-JOCHJYFZSA-N 0 0 394.475 3.414 20 30 GGEDRN Cc1cc(C)n(-c2ccccc2CNS(=O)(=O)c2ccc(CC#N)cc2)n1 ZINC000125954678 1415321551 /nfs/dbraw/zinc/32/15/51/1415321551.db2.gz RSBZIWHBQQKEIA-UHFFFAOYSA-N 0 0 380.473 3.034 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000125957054 1415322276 /nfs/dbraw/zinc/32/22/76/1415322276.db2.gz ZLPMEYQUDSDFHA-MRXNPFEDSA-N 0 0 390.892 3.234 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000125957277 1415322700 /nfs/dbraw/zinc/32/27/00/1415322700.db2.gz ZLPMEYQUDSDFHA-INIZCTEOSA-N 0 0 390.892 3.234 20 30 GGEDRN Cn1c2ccccc2nc1[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000125967020 1415324629 /nfs/dbraw/zinc/32/46/29/1415324629.db2.gz WGGUKGXFGPNJAQ-FYYLOGMGSA-N 0 0 387.487 3.061 20 30 GGEDRN CC[C@H](NC(=O)CSc1nc(N)c(C#N)cc1C#N)c1ccc(Cl)cc1 ZINC000125969672 1415326021 /nfs/dbraw/zinc/32/60/21/1415326021.db2.gz RIGGLOLARFHHQS-HNNXBMFYSA-N 0 0 385.880 3.420 20 30 GGEDRN N#Cc1cc(C#N)c(SCC(=O)NCC2(c3ccccc3)CCCC2)nc1N ZINC000125970133 1415326215 /nfs/dbraw/zinc/32/62/15/1415326215.db2.gz KDHVULBSDHUGEJ-UHFFFAOYSA-N 0 0 391.500 3.127 20 30 GGEDRN CSc1nc(C2CC2)cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c1C#N ZINC000125971846 1415326525 /nfs/dbraw/zinc/32/65/25/1415326525.db2.gz VDTRYPGPGSILDA-UHFFFAOYSA-N 0 0 382.445 3.433 20 30 GGEDRN Cc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C#N)n2N)c1 ZINC000125976177 1415327593 /nfs/dbraw/zinc/32/75/93/1415327593.db2.gz FVTDYTYWHWVZRE-UHFFFAOYSA-N 0 0 398.879 3.223 20 30 GGEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(F)cc(F)c1 ZINC000177961267 1428902451 /nfs/dbraw/zinc/90/24/51/1428902451.db2.gz QZGLYHQHYXGZRE-UHFFFAOYSA-N 0 0 382.288 3.090 20 30 GGEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000177961359 1428902672 /nfs/dbraw/zinc/90/26/72/1428902672.db2.gz CNENIYYNWRHXIC-UHFFFAOYSA-N 0 0 382.288 3.090 20 30 GGEDRN N#Cc1cc(F)c(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c(F)c1 ZINC000125995802 1415332598 /nfs/dbraw/zinc/33/25/98/1415332598.db2.gz HDOIJSAVLKJCBX-UHFFFAOYSA-N 0 0 390.434 3.073 20 30 GGEDRN Cc1cc(-c2noc(CN3CCN(c4ccccc4C#N)CC3)n2)ccc1F ZINC000125996156 1415332792 /nfs/dbraw/zinc/33/27/92/1415332792.db2.gz RSXNTQLOQZGCCV-UHFFFAOYSA-N 0 0 377.423 3.378 20 30 GGEDRN CCOc1ccc(NC(=O)C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000177961625 1428902981 /nfs/dbraw/zinc/90/29/81/1428902981.db2.gz YFVGZHQCNFNPHK-UHFFFAOYSA-N 0 0 390.361 3.211 20 30 GGEDRN C=CCn1c(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)nnc1-c1ccco1 ZINC000126001563 1415334005 /nfs/dbraw/zinc/33/40/05/1415334005.db2.gz LPECLDMEKNCYPX-QGZVFWFLSA-N 0 0 391.456 3.493 20 30 GGEDRN Cc1ccc([C@H](C)NS(=O)(=O)c2c(F)cc(C#N)cc2F)cc1[N+](=O)[O-] ZINC000126003778 1415334468 /nfs/dbraw/zinc/33/44/68/1415334468.db2.gz YGUPAKXPSCWFNO-JTQLQIEISA-N 0 0 381.360 3.093 20 30 GGEDRN Cc1cc(N(CCC#N)C(=O)CNc2ccc3oc(=O)n(C)c3c2)ccc1Cl ZINC000126007408 1415335038 /nfs/dbraw/zinc/33/50/38/1415335038.db2.gz OHVFWXQYFNKCHR-UHFFFAOYSA-N 0 0 398.850 3.452 20 30 GGEDRN N#Cc1ccc2ncc(CNc3ccc(Cc4nnc5ccccn54)cc3)n2c1 ZINC000126010338 1415335617 /nfs/dbraw/zinc/33/56/17/1415335617.db2.gz BKXSRQSMRPINQF-UHFFFAOYSA-N 0 0 379.427 3.452 20 30 GGEDRN Cc1ccc(F)cc1NC(=O)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000177962599 1428903487 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/nfs/dbraw/zinc/00/08/01/1429000801.db2.gz IKQFVULHTOVANX-ZDUSSCGKSA-N 0 0 388.468 3.358 20 30 GGEDRN N#C[C@@H]1COCCN1Cn1nc(-c2ccncc2)n(C2CCCCC2)c1=S ZINC000178153719 1429001112 /nfs/dbraw/zinc/00/11/12/1429001112.db2.gz HCLMRRXTPFRFPF-QGZVFWFLSA-N 0 0 384.509 3.163 20 30 GGEDRN N#C[C@@H]1COCCN1Cn1nc(-c2ccc(F)cc2)n(Cc2ccco2)c1=S ZINC000178154184 1429001474 /nfs/dbraw/zinc/00/14/74/1429001474.db2.gz HCAHUUADWHVEJJ-MRXNPFEDSA-N 0 0 399.451 3.043 20 30 GGEDRN C=CCc1cc(CNC(=O)C(=O)Nc2ccc(CC)cc2)cc(OC)c1OC ZINC000127627032 1415822687 /nfs/dbraw/zinc/82/26/87/1415822687.db2.gz OHBHMTKOXVXPOI-UHFFFAOYSA-N 0 0 382.460 3.250 20 30 GGEDRN C=CCOc1ccc(C(=O)N[C@](C)(C(N)=O)c2cccc(Cl)c2)cc1OC ZINC000178156141 1429001727 /nfs/dbraw/zinc/00/17/27/1429001727.db2.gz IVEXFCSYGXXWHV-FQEVSTJZSA-N 0 0 388.851 3.044 20 30 GGEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-n2cncn2)nc1 ZINC000127629971 1415823188 /nfs/dbraw/zinc/82/31/88/1415823188.db2.gz KMOHJXCNCCHVNW-UHFFFAOYSA-N 0 0 397.398 3.282 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)[C@@H](C#N)C(=O)Nc1cccc(C)c1 ZINC000127648351 1415826062 /nfs/dbraw/zinc/82/60/62/1415826062.db2.gz AZEXECALKUNGER-LJQANCHMSA-N 0 0 377.448 3.002 20 30 GGEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1 ZINC000127650454 1415826279 /nfs/dbraw/zinc/82/62/79/1415826279.db2.gz KGWAIPMAYPSENY-UHFFFAOYSA-N 0 0 382.363 3.434 20 30 GGEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000127651069 1415826327 /nfs/dbraw/zinc/82/63/27/1415826327.db2.gz CEXWROZJZIHWOK-RTWAWAEBSA-N 0 0 399.454 3.109 20 30 GGEDRN CCOC(=O)C1=C(C(=O)CC)[C@H](c2cccc(Cl)c2Cl)NC(=S)N1 ZINC000127656146 1415827549 /nfs/dbraw/zinc/82/75/49/1415827549.db2.gz WPSKAYFPQIZZKH-ZDUSSCGKSA-N 0 0 387.288 3.309 20 30 GGEDRN CCN(CCC#N)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000127660018 1415828231 /nfs/dbraw/zinc/82/82/31/1415828231.db2.gz LYXGTTKLTNFYKT-UHFFFAOYSA-N 0 0 392.488 3.184 20 30 GGEDRN CCOC(=O)C1=C(C(=O)C2CC2)[C@H](c2ccccc2C(F)(F)F)NC(=S)N1 ZINC000127671710 1415830395 /nfs/dbraw/zinc/83/03/95/1415830395.db2.gz SDBHPQDUPQHWKO-ZDUSSCGKSA-N 0 0 398.406 3.021 20 30 GGEDRN CCOC(=O)C1=C(C(=O)C2CC2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=S)N1 ZINC000127670822 1415830431 /nfs/dbraw/zinc/83/04/31/1415830431.db2.gz IPKITUXPDVZVTQ-ZDUSSCGKSA-N 0 0 399.299 3.309 20 30 GGEDRN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000127683857 1415832545 /nfs/dbraw/zinc/83/25/45/1415832545.db2.gz JJNJGXQVOFQEPN-MFKMUULPSA-N 0 0 382.258 3.043 20 30 GGEDRN COc1cc(CCNC(=O)COc2ccc(C#N)cc2C)ccc1OC(F)F ZINC000178163472 1429003541 /nfs/dbraw/zinc/00/35/41/1429003541.db2.gz UWUZIAYBJAKBRQ-UHFFFAOYSA-N 0 0 390.386 3.214 20 30 GGEDRN CC(=O)N1CCCc2ccc(S(=O)(=O)Oc3ccc(C#N)cc3Cl)cc21 ZINC000127685483 1415832605 /nfs/dbraw/zinc/83/26/05/1415832605.db2.gz ISUSTHUBDXYWBN-UHFFFAOYSA-N 0 0 390.848 3.278 20 30 GGEDRN CCOC(=O)C1=C(C(=O)c2ccccc2C)[C@@H](c2cccs2)NC(=S)N1 ZINC000127688009 1415833167 /nfs/dbraw/zinc/83/31/67/1415833167.db2.gz BUVUYFWNJSSWLH-OAHLLOKOSA-N 0 0 386.498 3.275 20 30 GGEDRN C=C[C@H](CC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1ccccc1 ZINC000127688399 1415833542 /nfs/dbraw/zinc/83/35/42/1415833542.db2.gz QNDBCLQHLHOWOR-GOSISDBHSA-N 0 0 393.487 3.256 20 30 GGEDRN Cc1cccc(S(=O)(=O)Oc2ccc(Br)c(C=O)c2)c1C#N ZINC000127694433 1415834632 /nfs/dbraw/zinc/83/46/32/1415834632.db2.gz IWPQVIYXYGXVJH-UHFFFAOYSA-N 0 0 380.219 3.209 20 30 GGEDRN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)[C@H](C#N)C(=O)Nc1cccc(C)c1 ZINC000127709520 1415837229 /nfs/dbraw/zinc/83/72/29/1415837229.db2.gz HFESCUNLZOGDDR-LEWJYISDSA-N 0 0 389.455 3.178 20 30 GGEDRN Cc1cccc(NC(=O)[C@H](C#N)C(=O)CC[C@H]2Cc3ccccc3NC2=O)c1 ZINC000127725825 1415839701 /nfs/dbraw/zinc/83/97/01/1415839701.db2.gz JINMLAXGGDBOEJ-FUHWJXTLSA-N 0 0 375.428 3.234 20 30 GGEDRN CSCC[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000127745026 1415842987 /nfs/dbraw/zinc/84/29/87/1415842987.db2.gz PSMCISXTWHFPSE-MRXNPFEDSA-N 0 0 381.501 3.020 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000127751237 1415843988 /nfs/dbraw/zinc/84/39/88/1415843988.db2.gz VLARQAGBEFYSAD-INIZCTEOSA-N 0 0 376.441 3.470 20 30 GGEDRN N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000127756334 1415844719 /nfs/dbraw/zinc/84/47/19/1415844719.db2.gz QCJDCLKCVKKWSB-INIZCTEOSA-N 0 0 376.441 3.470 20 30 GGEDRN COc1cc(CCNC(=O)COc2ccc(C#N)c(F)c2)ccc1OC(F)F ZINC000178173615 1429006758 /nfs/dbraw/zinc/00/67/58/1429006758.db2.gz UHJWOZFKDCKKDN-UHFFFAOYSA-N 0 0 394.349 3.045 20 30 GGEDRN N#C[C@@H](NC(=O)c1cnn(-c2ccccc2)n1)c1cccc(Br)c1 ZINC000127777152 1415848394 /nfs/dbraw/zinc/84/83/94/1415848394.db2.gz RSQVUUNSBHUKQV-OAHLLOKOSA-N 0 0 382.221 3.024 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000127797564 1415852427 /nfs/dbraw/zinc/85/24/27/1415852427.db2.gz NGKIZAHEEHCTNE-GOSISDBHSA-N 0 0 380.444 3.008 20 30 GGEDRN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000127806430 1415854111 /nfs/dbraw/zinc/85/41/11/1415854111.db2.gz WGFRNLPBEUPXTP-KRWDZBQOSA-N 0 0 389.371 3.050 20 30 GGEDRN Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000127806678 1415854176 /nfs/dbraw/zinc/85/41/76/1415854176.db2.gz WGFRNLPBEUPXTP-QGZVFWFLSA-N 0 0 389.371 3.050 20 30 GGEDRN CN(C)C(=O)c1cccc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)c1 ZINC000127815780 1415856036 /nfs/dbraw/zinc/85/60/36/1415856036.db2.gz CSVFJHSJYWLBEQ-UHFFFAOYSA-N 0 0 394.500 3.265 20 30 GGEDRN N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(I)cc1 ZINC000127834432 1415859781 /nfs/dbraw/zinc/85/97/81/1415859781.db2.gz ZXPOHZDQDJKLAI-AWEZNQCLSA-N 0 0 390.180 3.252 20 30 GGEDRN N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1cccc(I)c1 ZINC000127842873 1415861376 /nfs/dbraw/zinc/86/13/76/1415861376.db2.gz FXUJXCFADMWYDM-AWEZNQCLSA-N 0 0 390.180 3.252 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)NCc3ccccc3)c(C#N)c2N)cc1 ZINC000127845311 1415861833 /nfs/dbraw/zinc/86/18/33/1415861833.db2.gz DXFGAXUDJSWDGQ-UHFFFAOYSA-N 0 0 388.475 3.067 20 30 GGEDRN C=C[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000127848702 1415862429 /nfs/dbraw/zinc/86/24/29/1415862429.db2.gz AINGPCOWJCJOHK-IBGZPJMESA-N 0 0 377.488 3.129 20 30 GGEDRN Cc1ccccc1-c1noc([C@H](C)S(=O)(=O)C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000127850781 1415863003 /nfs/dbraw/zinc/86/30/03/1415863003.db2.gz KEQCYHUIERQDPN-KBXCAEBGSA-N 0 0 397.456 3.126 20 30 GGEDRN Cc1ccccc1-c1noc([C@H](C)S(=O)(=O)C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000127850343 1415863123 /nfs/dbraw/zinc/86/31/23/1415863123.db2.gz KEQCYHUIERQDPN-KSSFIOAISA-N 0 0 397.456 3.126 20 30 GGEDRN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000127862184 1415864980 /nfs/dbraw/zinc/86/49/80/1415864980.db2.gz QDDUBJAPSZTMGN-QFBILLFUSA-N 0 0 391.471 3.179 20 30 GGEDRN N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(-n2ccnn2)cc1 ZINC000127872166 1415867233 /nfs/dbraw/zinc/86/72/33/1415867233.db2.gz KFUOZCRQIYLCLI-CQSZACIVSA-N 0 0 383.770 3.021 20 30 GGEDRN COc1ccc(CCCC(=O)[C@H](C#N)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000127900434 1415872629 /nfs/dbraw/zinc/87/26/29/1415872629.db2.gz NFOIIRBGRRHLMF-FQEVSTJZSA-N 0 0 380.444 3.052 20 30 GGEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1ncnc2ccccc21 ZINC000127921611 1415875914 /nfs/dbraw/zinc/87/59/14/1415875914.db2.gz BINONXRVABPHPN-UHFFFAOYSA-N 0 0 386.440 3.418 20 30 GGEDRN O=C(C#Cc1ccc2c(c1)OCO2)Nc1cc(F)ccc1OCC(F)(F)F ZINC000127928239 1415877037 /nfs/dbraw/zinc/87/70/37/1415877037.db2.gz JQJCNIQTSAGSBQ-UHFFFAOYSA-N 0 0 381.281 3.486 20 30 GGEDRN C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000127932562 1415877453 /nfs/dbraw/zinc/87/74/53/1415877453.db2.gz QLDVYMJKFZGFQU-UHFFFAOYSA-N 0 0 376.453 3.469 20 30 GGEDRN C=CCC(CC=C)C(=O)NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000127932123 1415877594 /nfs/dbraw/zinc/87/75/94/1415877594.db2.gz CRQPBMXAAHWZAC-UHFFFAOYSA-N 0 0 390.549 3.334 20 30 GGEDRN N#Cc1cccc(OCCCNc2ccc(C(=O)N3CCC(CO)CC3)cc2)c1 ZINC000127965787 1415884669 /nfs/dbraw/zinc/88/46/69/1415884669.db2.gz CVHFIKJZGOVLTE-UHFFFAOYSA-N 0 0 393.487 3.284 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(Cl)ncc2Cl)CC1 ZINC000127964537 1415884780 /nfs/dbraw/zinc/88/47/80/1415884780.db2.gz KTRVOSQPFSTQFZ-UHFFFAOYSA-N 0 0 379.222 3.362 20 30 GGEDRN C=CCNC(=O)c1ccc(NCc2ccc(COC3CCOCC3)cc2)nc1 ZINC000127973628 1415886364 /nfs/dbraw/zinc/88/63/64/1415886364.db2.gz QTFKIMZNWWXHQQ-UHFFFAOYSA-N 0 0 381.476 3.305 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc3ccccc3c2)cc1 ZINC000128011437 1415892673 /nfs/dbraw/zinc/89/26/73/1415892673.db2.gz MRBHGCJOKSBOLK-UHFFFAOYSA-N 0 0 387.439 3.011 20 30 GGEDRN CCn1cc(C(=O)C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cn1 ZINC000128016868 1415893844 /nfs/dbraw/zinc/89/38/44/1415893844.db2.gz IXISZFRDLVBJLW-HXUWFJFHSA-N 0 0 388.427 3.046 20 30 GGEDRN N#Cc1cccc(NC(=O)C(=O)NCc2cccc(COc3ccccc3)c2)c1 ZINC000128022117 1415894807 /nfs/dbraw/zinc/89/48/07/1415894807.db2.gz XIGFADPWLVKSNA-UHFFFAOYSA-N 0 0 385.423 3.392 20 30 GGEDRN C#CCN(C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)OC)C1CCCC1 ZINC000128020955 1415894900 /nfs/dbraw/zinc/89/49/00/1415894900.db2.gz IJWLEUADJGUDBY-UHFFFAOYSA-N 0 0 390.505 3.175 20 30 GGEDRN Cc1ccc(-n2cnnc2SCC(=O)[C@H](C#N)C(=O)Nc2ccccc2)cc1 ZINC000128043191 1415900073 /nfs/dbraw/zinc/90/00/73/1415900073.db2.gz HEQYENNTAGGGHY-KRWDZBQOSA-N 0 0 391.456 3.015 20 30 GGEDRN CCC(CC)(CNC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)OC ZINC000128051619 1415901105 /nfs/dbraw/zinc/90/11/05/1415901105.db2.gz SKFIEASKIZIVEB-UHFFFAOYSA-N 0 0 384.432 3.439 20 30 GGEDRN CCC(=O)N1CC[C@@H](C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000128053359 1415901857 /nfs/dbraw/zinc/90/18/57/1415901857.db2.gz KOPYBJMUFTXVHW-GOSISDBHSA-N 0 0 377.444 3.334 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000128058624 1415902394 /nfs/dbraw/zinc/90/23/94/1415902394.db2.gz SBCBBPJHJXBAAN-AWEZNQCLSA-N 0 0 388.443 3.091 20 30 GGEDRN CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000128058841 1415902485 /nfs/dbraw/zinc/90/24/85/1415902485.db2.gz SBCBBPJHJXBAAN-CQSZACIVSA-N 0 0 388.443 3.091 20 30 GGEDRN N#CCOc1cccc(CC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000128060123 1415903323 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COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)C[C@H](C)c2ccccc2)cc1OC ZINC000128859771 1416086625 /nfs/dbraw/zinc/08/66/25/1416086625.db2.gz ZHKOVYHJAIXWJG-LPHOPBHVSA-N 0 0 394.471 3.265 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)NCc1cc(C)ccc1OC(F)F ZINC000128859865 1416087069 /nfs/dbraw/zinc/08/70/69/1416087069.db2.gz SHJCRFVSMYRCHV-UHFFFAOYSA-N 0 0 376.359 3.172 20 30 GGEDRN Cc1cc(C[C@H](C)NS(=O)(=O)c2cccc(F)c2C#N)n(-c2ccccc2)n1 ZINC000128866810 1416088186 /nfs/dbraw/zinc/08/81/86/1416088186.db2.gz QALZAJXQHBHKPZ-HNNXBMFYSA-N 0 0 398.463 3.101 20 30 GGEDRN CSCc1noc(CCC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)n1 ZINC000128882224 1416091896 /nfs/dbraw/zinc/09/18/96/1416091896.db2.gz WCKBRBOIRCYERS-UHFFFAOYSA-N 0 0 398.410 3.328 20 30 GGEDRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000128883764 1416092764 /nfs/dbraw/zinc/09/27/64/1416092764.db2.gz PMKKBEWGTLZVHQ-HRAATJIYSA-N 0 0 375.472 3.174 20 30 GGEDRN C=CCn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1-c1ccccc1C ZINC000178301016 1429046440 /nfs/dbraw/zinc/04/64/40/1429046440.db2.gz QDKJHZRPPATWCP-UHFFFAOYSA-N 0 0 399.520 3.300 20 30 GGEDRN N#CCOc1ccc(CNC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)cc1 ZINC000178300991 1429046490 /nfs/dbraw/zinc/04/64/90/1429046490.db2.gz RWMIQPQRTSPHTL-UHFFFAOYSA-N 0 0 375.384 3.109 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1 ZINC000128896311 1416095261 /nfs/dbraw/zinc/09/52/61/1416095261.db2.gz MSHQYDHQIPTKNI-HBMCJLEFSA-N 0 0 376.456 3.282 20 30 GGEDRN NC(=NOCC(=O)NCc1cccc(COCc2ccco2)c1)C1CCCC1 ZINC000178302619 1429046997 /nfs/dbraw/zinc/04/69/97/1429046997.db2.gz SAMYLTIWPQRXMB-UHFFFAOYSA-N 0 0 385.464 3.092 20 30 GGEDRN CCCC(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)C1 ZINC000128902196 1416097199 /nfs/dbraw/zinc/09/71/99/1416097199.db2.gz CNBRMEVNCGOLGG-HZPDHXFCSA-N 0 0 382.489 3.420 20 30 GGEDRN CCc1nn(C)c(CC)c1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000128908501 1416098543 /nfs/dbraw/zinc/09/85/43/1416098543.db2.gz BBCAQAUJWZBJMV-UHFFFAOYSA-N 0 0 395.507 3.170 20 30 GGEDRN CCc1ccc([C@@]2(CC)NC(=O)N(CN(CCC#N)CC(F)(F)F)C2=O)cc1 ZINC000128908358 1416098759 /nfs/dbraw/zinc/09/87/59/1416098759.db2.gz RDXXTJVMFPLVDM-GOSISDBHSA-N 0 0 396.413 3.142 20 30 GGEDRN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cncc(Br)c1 ZINC000128907420 1416098857 /nfs/dbraw/zinc/09/88/57/1416098857.db2.gz YOZQOFJTPISDRP-CYBMUJFWSA-N 0 0 388.221 3.204 20 30 GGEDRN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cncc(Br)c1 ZINC000128907258 1416098977 /nfs/dbraw/zinc/09/89/77/1416098977.db2.gz YOZQOFJTPISDRP-ZDUSSCGKSA-N 0 0 388.221 3.204 20 30 GGEDRN C=CCNc1ncc(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)s1 ZINC000128920347 1416102718 /nfs/dbraw/zinc/10/27/18/1416102718.db2.gz PTONAOORPRUTPL-CHWSQXEVSA-N 0 0 380.514 3.211 20 30 GGEDRN C=CCNc1ncc(C(=O)Nc2nc(-c3cc(C(N)=O)oc3C)cs2)s1 ZINC000128964831 1416115194 /nfs/dbraw/zinc/11/51/94/1416115194.db2.gz XPFCWNWJIIDGEV-UHFFFAOYSA-N 0 0 389.462 3.117 20 30 GGEDRN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(C(F)(F)F)nc1 ZINC000128979150 1416118829 /nfs/dbraw/zinc/11/88/29/1416118829.db2.gz TUNBQFQHBHVMOI-GFCCVEGCSA-N 0 0 377.322 3.460 20 30 GGEDRN N#Cc1ccc(OC(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)cc1 ZINC000128992791 1416121269 /nfs/dbraw/zinc/12/12/69/1416121269.db2.gz UHVGWYQHLJPKJJ-SFHVURJKSA-N 0 0 378.428 3.171 20 30 GGEDRN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1c(Cl)nc2ccccn21 ZINC000128992722 1416121489 /nfs/dbraw/zinc/12/14/89/1416121489.db2.gz UEEGIHKQSKPTAU-GFCCVEGCSA-N 0 0 382.807 3.348 20 30 GGEDRN C=CCn1nnn(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1=S ZINC000128996102 1416121875 /nfs/dbraw/zinc/12/18/75/1416121875.db2.gz OVULYOZVAWNRTN-ZDUSSCGKSA-N 0 0 376.555 3.167 20 30 GGEDRN C=C(C)COc1cc(CN[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)ccc1OC ZINC000128998973 1416122904 /nfs/dbraw/zinc/12/29/04/1416122904.db2.gz LFTVZOHBDWHRPJ-KRWDZBQOSA-N 0 0 398.467 3.305 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1 ZINC000129015513 1416125993 /nfs/dbraw/zinc/12/59/93/1416125993.db2.gz NDBACOAFCANKHI-HBMCJLEFSA-N 0 0 389.455 3.010 20 30 GGEDRN O=C(/C=C/c1ccc(OCCN2CCOCC2)c(Cl)c1)c1cncc(F)c1 ZINC000129025114 1416127662 /nfs/dbraw/zinc/12/76/62/1416127662.db2.gz IAFHAZMQTRKUOK-HNQUOIGGSA-N 0 0 390.842 3.481 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000178370001 1429063285 /nfs/dbraw/zinc/06/32/85/1429063285.db2.gz ULKHURNQIOJCOA-IBGZPJMESA-N 0 0 397.500 3.047 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000178370738 1429063291 /nfs/dbraw/zinc/06/32/91/1429063291.db2.gz WWESGWUZZLOMQX-UHFFFAOYSA-N 0 0 393.468 3.327 20 30 GGEDRN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000129035662 1416130321 /nfs/dbraw/zinc/13/03/21/1416130321.db2.gz DWJFXQKSYFUERI-MRXNPFEDSA-N 0 0 392.390 3.371 20 30 GGEDRN Cc1cc(SCC(=O)[C@H](C#N)C(=O)NC2CC2)c(C)cc1Br ZINC000129054178 1416134566 /nfs/dbraw/zinc/13/45/66/1416134566.db2.gz UKGSYHQPHHNXKV-LBPRGKRZSA-N 0 0 381.295 3.146 20 30 GGEDRN COc1cc(CCNC(=O)CNc2ccc(F)c(C#N)c2)ccc1OC(F)F ZINC000178374936 1429064354 /nfs/dbraw/zinc/06/43/54/1429064354.db2.gz WFZNRXFQFCGYPZ-UHFFFAOYSA-N 0 0 393.365 3.078 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000178375664 1429064511 /nfs/dbraw/zinc/06/45/11/1429064511.db2.gz OOTVDSNPZOZOAV-UHFFFAOYSA-N 0 0 389.452 3.045 20 30 GGEDRN C[C@@H](c1ccc(NC(=O)N(CCC#N)Cc2ccccn2)cc1)N1CCOCC1 ZINC000129079807 1416140266 /nfs/dbraw/zinc/14/02/66/1416140266.db2.gz BNQCFIBZCWKUQC-SFHVURJKSA-N 0 0 393.491 3.423 20 30 GGEDRN C[C@H](c1ccc(NC(=O)N(CCC#N)Cc2ccccn2)cc1)N1CCOCC1 ZINC000129080008 1416140273 /nfs/dbraw/zinc/14/02/73/1416140273.db2.gz BNQCFIBZCWKUQC-GOSISDBHSA-N 0 0 393.491 3.423 20 30 GGEDRN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2cccc(SCC#N)c2)cc1 ZINC000129092787 1416143442 /nfs/dbraw/zinc/14/34/42/1416143442.db2.gz CJYRBLZZWCFZPZ-HNNXBMFYSA-N 0 0 388.514 3.203 20 30 GGEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H]([C@@H](C)O)C2)cc1C ZINC000129107442 1416146408 /nfs/dbraw/zinc/14/64/08/1416146408.db2.gz SQJPQDICNRJQSB-IEBWSBKVSA-N 0 0 380.492 3.314 20 30 GGEDRN CC(C)[C@@H](NCc1cccc(OCCCC#N)c1)c1nc(-c2nc[nH]n2)no1 ZINC000129122739 1416150344 /nfs/dbraw/zinc/15/03/44/1416150344.db2.gz BPZMUOQDHSCTOD-MRXNPFEDSA-N 0 0 381.440 3.024 20 30 GGEDRN COc1cccc2c1CCCCN2C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000129132038 1416152970 /nfs/dbraw/zinc/15/29/70/1416152970.db2.gz IZDDJKIQBPPLGM-UHFFFAOYSA-N 0 0 379.460 3.174 20 30 GGEDRN C#Cc1cccc(N(C)C(=O)c2ccc(Br)cc2-n2cncn2)c1 ZINC000129147023 1416156256 /nfs/dbraw/zinc/15/62/56/1416156256.db2.gz JBNJAUISANVIHE-UHFFFAOYSA-N 0 0 381.233 3.288 20 30 GGEDRN N#Cc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC000129151671 1416157443 /nfs/dbraw/zinc/15/74/43/1416157443.db2.gz LHVPXHARQYGPJH-QGZVFWFLSA-N 0 0 394.500 3.449 20 30 GGEDRN N#Cc1ccccc1NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC000129151881 1416157724 /nfs/dbraw/zinc/15/77/24/1416157724.db2.gz LHVPXHARQYGPJH-KRWDZBQOSA-N 0 0 394.500 3.449 20 30 GGEDRN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000129177512 1416163468 /nfs/dbraw/zinc/16/34/68/1416163468.db2.gz MOZKYAGOFHGRLT-UHFFFAOYSA-N 0 0 385.370 3.333 20 30 GGEDRN C=C[C@@H](CC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000129182447 1416164809 /nfs/dbraw/zinc/16/48/09/1416164809.db2.gz IVCLPYLRPRGBEK-KRWDZBQOSA-N 0 0 392.455 3.060 20 30 GGEDRN CC(C)C(=O)NCCN(C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000129189209 1416166336 /nfs/dbraw/zinc/16/63/36/1416166336.db2.gz RMTWJHMOHQKWEQ-UHFFFAOYSA-N 0 0 383.423 3.334 20 30 GGEDRN N#CCCSc1ccccc1NC(=O)C(=O)NCCCNc1ccccc1 ZINC000129202368 1416169718 /nfs/dbraw/zinc/16/97/18/1416169718.db2.gz HAHGTXNNEDJQMW-UHFFFAOYSA-N 0 0 382.489 3.249 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCCNc1ccccc1 ZINC000129212983 1416172192 /nfs/dbraw/zinc/17/21/92/1416172192.db2.gz NLGVLBIQGDMASW-INIZCTEOSA-N 0 0 396.516 3.495 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000178406295 1429071687 /nfs/dbraw/zinc/07/16/87/1429071687.db2.gz DQXLBTLNFGATNE-KRWDZBQOSA-N 0 0 396.834 3.364 20 30 GGEDRN Cc1cccc(N2C(=O)N[C@H](CCC(=O)Nc3cccc(C#N)c3C)C2=O)c1 ZINC000178407047 1429071726 /nfs/dbraw/zinc/07/17/26/1429071726.db2.gz OUYMBFAAOYKMFE-GOSISDBHSA-N 0 0 376.416 3.019 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000178406546 1429071870 /nfs/dbraw/zinc/07/18/70/1429071870.db2.gz NRQZVGSIAIUSSD-UHFFFAOYSA-N 0 0 388.210 3.408 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C1CCN(C(=O)COc2ccccc2)CC1 ZINC000178406785 1429071895 /nfs/dbraw/zinc/07/18/95/1429071895.db2.gz HNAHTDQGGPTJMD-UHFFFAOYSA-N 0 0 377.444 3.123 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000178406284 1429072031 /nfs/dbraw/zinc/07/20/31/1429072031.db2.gz DQXLBTLNFGATNE-QGZVFWFLSA-N 0 0 396.834 3.364 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000178413892 1429073019 /nfs/dbraw/zinc/07/30/19/1429073019.db2.gz TYMMBCAHGCJDOK-UHFFFAOYSA-N 0 0 377.322 3.020 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccnc1OCC(F)F ZINC000129234964 1416176377 /nfs/dbraw/zinc/17/63/77/1416176377.db2.gz PECDDRATAAYBJM-UHFFFAOYSA-N 0 0 377.395 3.024 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000178418354 1429073742 /nfs/dbraw/zinc/07/37/42/1429073742.db2.gz ZDYMAWZXIRCZLG-UHFFFAOYSA-N 0 0 391.349 3.063 20 30 GGEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC000129258527 1416181236 /nfs/dbraw/zinc/18/12/36/1416181236.db2.gz JNFAEYVXELIQBP-UHFFFAOYSA-N 0 0 378.325 3.219 20 30 GGEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H](C)CSc2ccc(F)cc2)c1 ZINC000129260312 1416181587 /nfs/dbraw/zinc/18/15/87/1416181587.db2.gz ZRJXEJOFSQHQHB-HNNXBMFYSA-N 0 0 384.476 3.314 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000129279625 1416184423 /nfs/dbraw/zinc/18/44/23/1416184423.db2.gz YTTGHEMEYCTGEX-YJBOKZPZSA-N 0 0 380.444 3.407 20 30 GGEDRN COC(=O)c1cccc(NC2CCN(C(=O)NCc3cccc(C#N)c3)CC2)c1 ZINC000129305996 1416188347 /nfs/dbraw/zinc/18/83/47/1416188347.db2.gz JHTCQNFNYJDGTE-UHFFFAOYSA-N 0 0 392.459 3.131 20 30 GGEDRN COc1ccc2c(c1)CCCN2C(=O)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000129307860 1416188610 /nfs/dbraw/zinc/18/86/10/1416188610.db2.gz BIXXSOJFAWWPAB-UHFFFAOYSA-N 0 0 387.443 3.113 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000178430107 1429075328 /nfs/dbraw/zinc/07/53/28/1429075328.db2.gz CFNNZROBSFMYHN-UHFFFAOYSA-N 0 0 376.460 3.064 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000178427204 1429075354 /nfs/dbraw/zinc/07/53/54/1429075354.db2.gz YFCOGADQGQUUTJ-UHFFFAOYSA-N 0 0 388.427 3.353 20 30 GGEDRN COc1ccc(CC(=O)NCc2ccc(C(=O)N[C@@](C)(C#N)C(C)C)cc2)cc1 ZINC000129329786 1416192259 /nfs/dbraw/zinc/19/22/59/1416192259.db2.gz GFAJBUZWUNKAKT-QHCPKHFHSA-N 0 0 393.487 3.222 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc(-c2cn[nH]c2)c1 ZINC000129347348 1416194850 /nfs/dbraw/zinc/19/48/50/1416194850.db2.gz HAYLPUFLOMVUGG-UHFFFAOYSA-N 0 0 385.431 3.179 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)c1 ZINC000129351022 1416195329 /nfs/dbraw/zinc/19/53/29/1416195329.db2.gz KJUMJUSEUUNCLA-UHFFFAOYSA-N 0 0 391.431 3.312 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc3nc(N(C)C)oc3c2)c1 ZINC000129354323 1416195950 /nfs/dbraw/zinc/19/59/50/1416195950.db2.gz NRGPTPIUIFUHIA-UHFFFAOYSA-N 0 0 394.431 3.426 20 30 GGEDRN N#Cc1ccc(OC(F)F)c(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000129362156 1416196694 /nfs/dbraw/zinc/19/66/94/1416196694.db2.gz VECUNYZJMFRMSH-UHFFFAOYSA-N 0 0 376.319 3.432 20 30 GGEDRN N#Cc1cc(F)c(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c(F)c1 ZINC000129365597 1416197189 /nfs/dbraw/zinc/19/71/89/1416197189.db2.gz FKZDSAWHZIIWLM-UHFFFAOYSA-N 0 0 392.365 3.414 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000129388799 1416201503 /nfs/dbraw/zinc/20/15/03/1416201503.db2.gz FEYIRPVXRQLCMX-CYBMUJFWSA-N 0 0 384.402 3.446 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000129389043 1416201529 /nfs/dbraw/zinc/20/15/29/1416201529.db2.gz FEYIRPVXRQLCMX-ZDUSSCGKSA-N 0 0 384.402 3.446 20 30 GGEDRN COc1ccccc1N1CC[C@H](/N=C/c2cc(Br)ccc2O)C1=O ZINC000129393730 1416202455 /nfs/dbraw/zinc/20/24/55/1416202455.db2.gz HNRMRXIIZMICNK-HXJASHHUSA-N 0 0 389.249 3.388 20 30 GGEDRN Cn1c2nnc(SCCCOc3cccc(C#N)c3)n2c2ccccc2c1=O ZINC000129399860 1416203403 /nfs/dbraw/zinc/20/34/03/1416203403.db2.gz UTAYOIOUAXNORU-UHFFFAOYSA-N 0 0 391.456 3.014 20 30 GGEDRN COC(=O)Cc1cccc(NCC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000129398690 1416203461 /nfs/dbraw/zinc/20/34/61/1416203461.db2.gz FRMMODBSNDRQCK-UHFFFAOYSA-N 0 0 379.460 3.378 20 30 GGEDRN Cc1noc(C2CC2)c1C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000129421050 1416206641 /nfs/dbraw/zinc/20/66/41/1416206641.db2.gz BGUGWVGHNUQKOS-UHFFFAOYSA-N 0 0 387.443 3.243 20 30 GGEDRN Cc1cc(C(=O)N2CCOCC2)ccc1N(C)CCCOc1cccc(C#N)c1 ZINC000129435811 1416209204 /nfs/dbraw/zinc/20/92/04/1416209204.db2.gz OVJCSEJPVYQADT-UHFFFAOYSA-N 0 0 393.487 3.244 20 30 GGEDRN Cn1ccnc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1=O ZINC000129440113 1416209650 /nfs/dbraw/zinc/20/96/50/1416209650.db2.gz QIAUCLKOCMFKHR-UHFFFAOYSA-N 0 0 380.791 3.350 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000129443818 1416210473 /nfs/dbraw/zinc/21/04/73/1416210473.db2.gz ZLEKOHKOFGDWOJ-DLBZAZTESA-N 0 0 388.537 3.267 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)c2ccc(=O)n(-c3ccccc3F)n2)cc1 ZINC000129446357 1416211121 /nfs/dbraw/zinc/21/11/21/1416211121.db2.gz ZGYWZZWPUCLUPN-UHFFFAOYSA-N 0 0 376.391 3.241 20 30 GGEDRN N#Cc1ccccc1S(=O)(=O)NCc1cccc(COCC(F)(F)F)c1 ZINC000129467315 1416214210 /nfs/dbraw/zinc/21/42/10/1416214210.db2.gz XSJOFRFGWXQIDM-UHFFFAOYSA-N 0 0 384.379 3.116 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@H]2C[C@@H]2c2sccc2C)cc1 ZINC000129474413 1416215426 /nfs/dbraw/zinc/21/54/26/1416215426.db2.gz SENWXQQDZHGSHP-OKZBNKHCSA-N 0 0 382.485 3.236 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@H]2C[C@H]2c2sccc2C)cc1 ZINC000129474203 1416215490 /nfs/dbraw/zinc/21/54/90/1416215490.db2.gz SENWXQQDZHGSHP-RCCFBDPRSA-N 0 0 382.485 3.236 20 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N#Cc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)cc1 ZINC000178416531 1429073061 /nfs/dbraw/zinc/07/30/61/1429073061.db2.gz FFYUVNYANOTRRB-UHFFFAOYSA-N 0 0 395.422 3.152 20 30 GGEDRN CCCNC(=O)c1cccc(CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c1 ZINC000129644769 1416242404 /nfs/dbraw/zinc/24/24/04/1416242404.db2.gz AEDZVPDBSXKTOA-OAQYLSRUSA-N 0 0 393.487 3.418 20 30 GGEDRN N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(NC(N)=O)c1 ZINC000129665948 1416245443 /nfs/dbraw/zinc/24/54/43/1416245443.db2.gz ALIRDXXZOUSFHZ-LBPRGKRZSA-N 0 0 391.214 3.445 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)Oc2ccc(SC)cc2)c1 ZINC000129670567 1416246431 /nfs/dbraw/zinc/24/64/31/1416246431.db2.gz VBGKBRADWREFSO-OAHLLOKOSA-N 0 0 382.485 3.254 20 30 GGEDRN CC(=O)c1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)n(C)c1 ZINC000129677264 1416247238 /nfs/dbraw/zinc/24/72/38/1416247238.db2.gz FBOIHXKEGUJZGL-GFCCVEGCSA-N 0 0 378.215 3.496 20 30 GGEDRN C[C@H](NC(=O)C(C)(C)C)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129682559 1416248207 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GGEDRN Cc1nc2ccccc2cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000129753700 1416258793 /nfs/dbraw/zinc/25/87/93/1416258793.db2.gz LLCXKZKCUUNLJG-MRXNPFEDSA-N 0 0 380.448 3.128 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC000129755343 1416258817 /nfs/dbraw/zinc/25/88/17/1416258817.db2.gz CGGLXVYOVWNVOL-DENIHFKCSA-N 0 0 377.444 3.297 20 30 GGEDRN N#Cc1ccc(OCc2ccc(C(=O)Nc3nc4ccc(F)cn4n3)o2)cc1 ZINC000129770999 1416261424 /nfs/dbraw/zinc/26/14/24/1416261424.db2.gz IBGHNEGIMARKEE-UHFFFAOYSA-N 0 0 377.335 3.164 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)c2cn(C)nc2-c2ccccc2OC)cc1 ZINC000129776291 1416262141 /nfs/dbraw/zinc/26/21/41/1416262141.db2.gz OYEDLVYACVAQCL-UHFFFAOYSA-N 0 0 390.443 3.264 20 30 GGEDRN COc1cc(CN2CCN(C)C(=O)C2(C)C)ccc1OCc1cccc(C#N)c1 ZINC000129790219 1416264328 /nfs/dbraw/zinc/26/43/28/1416264328.db2.gz WGHPRXUBJYLZCB-UHFFFAOYSA-N 0 0 393.487 3.198 20 30 GGEDRN N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc3ccc(F)cn3n2)o1 ZINC000129796126 1416265272 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N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000129943264 1416289143 /nfs/dbraw/zinc/28/91/43/1416289143.db2.gz AVLZBNBLPKIBRR-UHFFFAOYSA-N 0 0 391.380 3.064 20 30 GGEDRN Cc1ccc(N2CCC[C@H]2COC(=O)CCCCOc2cccc(C#N)c2)nn1 ZINC000129969801 1416293304 /nfs/dbraw/zinc/29/33/04/1416293304.db2.gz TVSSJGVYVUFHHY-IBGZPJMESA-N 0 0 394.475 3.418 20 30 GGEDRN COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cnn(-c2ccccc2C)c1C ZINC000129979457 1416295107 /nfs/dbraw/zinc/29/51/07/1416295107.db2.gz SAVPUQVYIHBFPC-INIZCTEOSA-N 0 0 388.427 3.459 20 30 GGEDRN COc1ccccc1NC(=O)[C@@H](C#N)C(=O)COc1ccc(F)c(Cl)c1 ZINC000129976687 1416295297 /nfs/dbraw/zinc/29/52/97/1416295297.db2.gz UFLSFELQIHNGIA-LBPRGKRZSA-N 0 0 376.771 3.214 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000129979623 1416295839 /nfs/dbraw/zinc/29/58/39/1416295839.db2.gz BSNVHDPEKGDIAL-UHFFFAOYSA-N 0 0 395.415 3.289 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000178466729 1429083995 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C=CCNC(=O)c1ccc(NC(=O)c2[nH]c(C)c(C(=O)OC)c2CCC)cc1 ZINC000131134963 1416514230 /nfs/dbraw/zinc/51/42/30/1416514230.db2.gz NMBWOMKLEPFJGF-UHFFFAOYSA-N 0 0 383.448 3.230 20 30 GGEDRN Cc1cc(C#N)ccc1COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 ZINC000131141015 1416515057 /nfs/dbraw/zinc/51/50/57/1416515057.db2.gz XQTSESFGFKYUSB-UHFFFAOYSA-N 0 0 398.484 3.398 20 30 GGEDRN O=C(c1ccccc1)C(C(=S)NCc1ccon1)[n+]1cc([O-])cc(Cl)c1 ZINC000131143913 1416515951 /nfs/dbraw/zinc/51/59/51/1416515951.db2.gz NQAGLJJQFRFHNT-UHFFFAOYSA-O 0 0 388.856 3.050 20 30 GGEDRN Cc1cc(C#N)ccc1COC(=O)CCCn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000131153899 1416517117 /nfs/dbraw/zinc/51/71/17/1416517117.db2.gz LQVQTBYEJBAYIU-UHFFFAOYSA-N 0 0 395.371 3.206 20 30 GGEDRN CC(=O)N[C@@H](CC(=O)O[C@H](C)C(C)(C)C#N)c1ccc(Br)cc1 ZINC000131185424 1416520984 /nfs/dbraw/zinc/52/09/84/1416520984.db2.gz YBANKFCIGBDQMN-ABAIWWIYSA-N 0 0 381.270 3.498 20 30 GGEDRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C2(C#N)CCCCC2)c1 ZINC000131205242 1416523432 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GGEDRN C[C@H](c1nc(-c2ccccc2)no1)[S@@](=O)CC(=O)Nc1cccc(C#N)c1 ZINC000131244178 1416529123 /nfs/dbraw/zinc/52/91/23/1416529123.db2.gz ZXMBHNIAPHHYIQ-PFUSGODGSA-N 0 0 380.429 3.057 20 30 GGEDRN C[C@H](OC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)C(C)(C)C#N ZINC000131250747 1416530157 /nfs/dbraw/zinc/53/01/57/1416530157.db2.gz HKUXEAMHKNBMMW-ZDUSSCGKSA-N 0 0 392.502 3.322 20 30 GGEDRN Cc1cc(C#N)ccc1COC(=O)[C@@H](C)CS(=O)(=O)c1ccc(F)cc1 ZINC000131256804 1416531023 /nfs/dbraw/zinc/53/10/23/1416531023.db2.gz FGKFLDPJZXBTJT-AWEZNQCLSA-N 0 0 375.421 3.159 20 30 GGEDRN CSCCNC(=S)C(C(=O)c1cc(C)c(C)cc1C)[n+]1cccc([O-])c1 ZINC000131272299 1416532799 /nfs/dbraw/zinc/53/27/99/1416532799.db2.gz YXAFRIXLOTUFFK-UHFFFAOYSA-O 0 0 389.566 3.496 20 30 GGEDRN COc1ccccc1[C@@H](C)N(C)C(=O)CON=C(N)c1cccc(Cl)c1 ZINC000131274608 1416533255 /nfs/dbraw/zinc/53/32/55/1416533255.db2.gz PXPOYYACLPESOS-CYBMUJFWSA-N 0 0 375.856 3.205 20 30 GGEDRN CC(C)Oc1cccc(CNC(=O)CON=C(N)c2cccc(Cl)c2)c1 ZINC000131281801 1416534595 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GGEDRN C[C@@H](OC(=O)CCNC(=O)c1cc(F)ccc1Br)C(C)(C)C#N ZINC000131361862 1416545675 /nfs/dbraw/zinc/54/56/75/1416545675.db2.gz LTZHJTQKAZUGAK-SNVBAGLBSA-N 0 0 385.233 3.190 20 30 GGEDRN C=CCSc1ccccc1NC(=O)Cn1cnc2c(cnn2C(C)(C)C)c1=O ZINC000131372498 1416546866 /nfs/dbraw/zinc/54/68/66/1416546866.db2.gz OXNGFFMWQHUANK-UHFFFAOYSA-N 0 0 397.504 3.265 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000131373100 1416547241 /nfs/dbraw/zinc/54/72/41/1416547241.db2.gz CEPNKSNKBZHRTP-LJQANCHMSA-N 0 0 388.464 3.267 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)NC[C@@](C)(O)c2ccc(F)cc2)cc1OC ZINC000131383292 1416548377 /nfs/dbraw/zinc/54/83/77/1416548377.db2.gz KUWANFICPBNRQT-UCUTXXDUSA-N 0 0 385.435 3.436 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2F)C[C@H]2CCCO2)cc1 ZINC000131394703 1416550336 /nfs/dbraw/zinc/55/03/36/1416550336.db2.gz OZKIVQYBLPYCTK-QGZVFWFLSA-N 0 0 392.427 3.206 20 30 GGEDRN C[C@@H](OC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C(C)(C)C#N ZINC000131402810 1416551681 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GGEDRN C#CCOc1ccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)cc1 ZINC000132108518 1416697574 /nfs/dbraw/zinc/69/75/74/1416697574.db2.gz LAABFBXKMYOHIE-UHFFFAOYSA-N 0 0 395.440 3.304 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000132131262 1416703452 /nfs/dbraw/zinc/70/34/52/1416703452.db2.gz AXLQPHGUNWTWMD-INIZCTEOSA-N 0 0 387.443 3.458 20 30 GGEDRN N#Cc1c(F)cccc1OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000132132002 1416703555 /nfs/dbraw/zinc/70/35/55/1416703555.db2.gz OBLVOVDABHBPMI-KRWDZBQOSA-N 0 0 382.391 3.211 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000132146449 1416707424 /nfs/dbraw/zinc/70/74/24/1416707424.db2.gz DNFMMGJNMHHMDX-UHFFFAOYSA-N 0 0 389.459 3.199 20 30 GGEDRN COc1ccc([C@@H]2CCCN2C(=O)COc2cccc(F)c2C#N)c(OC)c1 ZINC000132157773 1416709497 /nfs/dbraw/zinc/70/94/97/1416709497.db2.gz XYTGBQUZTDXPQB-SFHVURJKSA-N 0 0 384.407 3.457 20 30 GGEDRN COc1ccc([C@H]2CCCN2C(=O)COc2cccc(F)c2C#N)cc1OC ZINC000132168372 1416710805 /nfs/dbraw/zinc/71/08/05/1416710805.db2.gz NGKATOMGHGLADL-QGZVFWFLSA-N 0 0 384.407 3.457 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(OCc2ccccc2F)CC1 ZINC000132221001 1416719247 /nfs/dbraw/zinc/71/92/47/1416719247.db2.gz FJUSHYLUAZPLRV-IERDGZPVSA-N 0 0 375.488 3.250 20 30 GGEDRN C[C@@H]1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000132241220 1416722378 /nfs/dbraw/zinc/72/23/78/1416722378.db2.gz TWWGQQYNQPLTRJ-CABCVRRESA-N 0 0 381.436 3.490 20 30 GGEDRN CCn1c(NC(=O)Cc2cccc(OCCOC)c2)nc2cc(C#N)ccc21 ZINC000132242669 1416722445 /nfs/dbraw/zinc/72/24/45/1416722445.db2.gz CEXCABADVWKKAP-UHFFFAOYSA-N 0 0 378.432 3.134 20 30 GGEDRN C[C@@H](O)c1ccc(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000178616240 1429123212 /nfs/dbraw/zinc/12/32/12/1429123212.db2.gz CJNNWCIEJTUOFM-LLVKDONJSA-N 0 0 384.379 3.109 20 30 GGEDRN CN1C(=S)N=NC1CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000132250633 1416723825 /nfs/dbraw/zinc/72/38/25/1416723825.db2.gz ONTSLHWEKMTRSZ-UHFFFAOYSA-N 0 0 399.863 3.351 20 30 GGEDRN CCCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000132249992 1416723879 /nfs/dbraw/zinc/72/38/79/1416723879.db2.gz LMIVJJRRKQOKPR-RTBURBONSA-N 0 0 387.524 3.238 20 30 GGEDRN CCCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)[C@H]1C[C@H](OCC)C1(C)C ZINC000132249788 1416724074 /nfs/dbraw/zinc/72/40/74/1416724074.db2.gz LMIVJJRRKQOKPR-OALUTQOASA-N 0 0 387.524 3.238 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000132258620 1416725322 /nfs/dbraw/zinc/72/53/22/1416725322.db2.gz RWOSFBDZCKGCHA-HNNXBMFYSA-N 0 0 381.480 3.151 20 30 GGEDRN CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000132274262 1416727114 /nfs/dbraw/zinc/72/71/14/1416727114.db2.gz GMLAQIIQYJLYLE-UHFFFAOYSA-N 0 0 385.323 3.310 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000132282046 1416728523 /nfs/dbraw/zinc/72/85/23/1416728523.db2.gz BIIHBLUFJLHRLQ-SJORKVTESA-N 0 0 388.537 3.267 20 30 GGEDRN COc1ccccc1-c1ccc(CN(C(=O)Cn2cnc(C#N)n2)C(C)C)cc1 ZINC000178620527 1429123733 /nfs/dbraw/zinc/12/37/33/1429123733.db2.gz HEONWGGXMYZCPC-UHFFFAOYSA-N 0 0 389.459 3.263 20 30 GGEDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1 ZINC000178620142 1429123838 /nfs/dbraw/zinc/12/38/38/1429123838.db2.gz ZMMFPVMWAOJOSZ-UHFFFAOYSA-N 0 0 396.516 3.480 20 30 GGEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)[C@H](C)CC#N ZINC000132295020 1416730937 /nfs/dbraw/zinc/73/09/37/1416730937.db2.gz RIZNBFBFIJWXIO-MRXNPFEDSA-N 0 0 390.443 3.145 20 30 GGEDRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)N(C)[C@H](C)CC#N)cc1 ZINC000132315348 1416734134 /nfs/dbraw/zinc/73/41/34/1416734134.db2.gz COVHMCBGAXPTCS-OAHLLOKOSA-N 0 0 381.480 3.177 20 30 GGEDRN N#C[C@H](C(=O)CCCOc1ccc2c(c1)CCC2)C(=O)NCc1ccccc1 ZINC000132319202 1416734834 /nfs/dbraw/zinc/73/48/34/1416734834.db2.gz APXAKAAZSRMGGP-OAQYLSRUSA-N 0 0 376.456 3.360 20 30 GGEDRN N#C[C@@H](C(=O)CCCOc1ccc2c(c1)CCC2)C(=O)NCc1ccccc1 ZINC000132318980 1416735236 /nfs/dbraw/zinc/73/52/36/1416735236.db2.gz APXAKAAZSRMGGP-NRFANRHFSA-N 0 0 376.456 3.360 20 30 GGEDRN Cc1cccc(N(CCC#N)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000132322988 1416735622 /nfs/dbraw/zinc/73/56/22/1416735622.db2.gz HBNCPNIAPQRFEU-UHFFFAOYSA-N 0 0 377.397 3.460 20 30 GGEDRN N#CCC[C@H](NC(=O)NCCCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000132326103 1416736817 /nfs/dbraw/zinc/73/68/17/1416736817.db2.gz FNPWNERYQWYWMF-IBGZPJMESA-N 0 0 385.489 3.195 20 30 GGEDRN C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000132326188 1416737135 /nfs/dbraw/zinc/73/71/35/1416737135.db2.gz ZOILONOJQYNMGC-CYBMUJFWSA-N 0 0 396.413 3.395 20 30 GGEDRN C[C@@H](CS(=O)(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000132333442 1416739006 /nfs/dbraw/zinc/73/90/06/1416739006.db2.gz UCKUWZUZPSRQKF-IBGZPJMESA-N 0 0 397.544 3.199 20 30 GGEDRN COc1cc(CCC(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)ccc1Cl ZINC000132361951 1416744759 /nfs/dbraw/zinc/74/47/59/1416744759.db2.gz BUGKSYWHCYBYJV-UHFFFAOYSA-N 0 0 395.850 3.431 20 30 GGEDRN CC[C@@H]1CCC[C@@H]1NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC000132359992 1416744992 /nfs/dbraw/zinc/74/49/92/1416744992.db2.gz WUQLVOFIXSVGME-APWZRJJASA-N 0 0 394.523 3.445 20 30 GGEDRN C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000132363774 1416745570 /nfs/dbraw/zinc/74/55/70/1416745570.db2.gz DDQACTBIXRZAIF-AWEZNQCLSA-N 0 0 376.416 3.118 20 30 GGEDRN CCCCO[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2F)C1(C)C ZINC000132371540 1416747667 /nfs/dbraw/zinc/74/76/67/1416747667.db2.gz RUSQNPKIVDFZNP-DLBZAZTESA-N 0 0 375.444 3.078 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000132398913 1416752381 /nfs/dbraw/zinc/75/23/81/1416752381.db2.gz PEFTYGMFTDSXHV-OAHLLOKOSA-N 0 0 383.427 3.280 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000132399133 1416752626 /nfs/dbraw/zinc/75/26/26/1416752626.db2.gz PEFTYGMFTDSXHV-HNNXBMFYSA-N 0 0 383.427 3.280 20 30 GGEDRN C=C(C)COCCNC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000132404209 1416753102 /nfs/dbraw/zinc/75/31/02/1416753102.db2.gz FUBHFYMZGDNMDN-UHFFFAOYSA-N 0 0 385.439 3.470 20 30 GGEDRN N#Cc1ccc(CN(CN2C(=O)C(=O)c3cccc(F)c32)CC(F)(F)F)cc1 ZINC000132412455 1416755007 /nfs/dbraw/zinc/75/50/07/1416755007.db2.gz CIYYPXLOLLCILI-UHFFFAOYSA-N 0 0 391.324 3.249 20 30 GGEDRN COc1cc([C@H](C#N)NC(=O)Cc2c[nH]c3c2cccc3C)cc(OC)c1OC ZINC000132428618 1416758314 /nfs/dbraw/zinc/75/83/14/1416758314.db2.gz XAUVEWDDNMBDPL-KRWDZBQOSA-N 0 0 393.443 3.426 20 30 GGEDRN CCN(C[C@@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000132429894 1416758966 /nfs/dbraw/zinc/75/89/66/1416758966.db2.gz OCMXJLUOMJORBP-GOEBONIOSA-N 0 0 383.448 3.257 20 30 GGEDRN COc1cc(C[N@@H+]2CC[C@H](/N=C/c3cc([N+](=O)[O-])ccc3[O-])C2)cc(OC)c1 ZINC000132442594 1416761357 /nfs/dbraw/zinc/76/13/57/1416761357.db2.gz INZKZHISTMMQMH-XYHOIZSOSA-N 0 0 385.420 3.011 20 30 GGEDRN O=C(CCNC(=O)C1N=CC=CC1=O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000178640459 1429126886 /nfs/dbraw/zinc/12/68/86/1429126886.db2.gz QPLDFQGULDKXDP-VLZBMTSBSA-N 0 0 395.503 3.164 20 30 GGEDRN C=CCOc1cccc(NC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)c1 ZINC000132467957 1416767277 /nfs/dbraw/zinc/76/72/77/1416767277.db2.gz JKOKXNHKYRALDN-KRWDZBQOSA-N 0 0 387.386 3.457 20 30 GGEDRN C=CCn1c(-c2ccncc2)nn(CN2CCC(O)(C(F)(F)F)CC2)c1=S ZINC000132472390 1416768766 /nfs/dbraw/zinc/76/87/66/1416768766.db2.gz LHEZIJUMPLZVRA-UHFFFAOYSA-N 0 0 399.442 3.009 20 30 GGEDRN Cc1ccc(-n2nc(Br)cc2C(=O)Nc2ccc(C#N)cn2)cc1 ZINC000132478887 1416769891 /nfs/dbraw/zinc/76/98/91/1416769891.db2.gz IUTIOHFJPHKJFD-UHFFFAOYSA-N 0 0 382.221 3.462 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000178641250 1429127712 /nfs/dbraw/zinc/12/77/12/1429127712.db2.gz NQRVGDHVWLMAIX-AWEZNQCLSA-N 0 0 384.417 3.080 20 30 GGEDRN C=CCNC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(-c3ccccc3C)c2s1 ZINC000132516532 1416776185 /nfs/dbraw/zinc/77/61/85/1416776185.db2.gz NIBLKFVVUBRLAE-HNNXBMFYSA-N 0 0 378.457 3.329 20 30 GGEDRN COc1ccc(-c2noc([C@@H](C)ON=C(N)COc3ccc(F)cc3)n2)cc1 ZINC000132544812 1416782799 /nfs/dbraw/zinc/78/27/99/1416782799.db2.gz KDVYZABMOBALGC-GFCCVEGCSA-N 0 0 386.383 3.313 20 30 GGEDRN Cc1ccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)c(OC(C)C)c1 ZINC000132565083 1416785943 /nfs/dbraw/zinc/78/59/43/1416785943.db2.gz VAQVODSYCGIAQS-UHFFFAOYSA-N 0 0 393.491 3.081 20 30 GGEDRN CCC(=O)N1CC[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)C1 ZINC000132571156 1416786432 /nfs/dbraw/zinc/78/64/32/1416786432.db2.gz UVBRBVVBULZXQK-SFHVURJKSA-N 0 0 377.444 3.334 20 30 GGEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000132571968 1416786711 /nfs/dbraw/zinc/78/67/11/1416786711.db2.gz ZNEPAUPURFWZJJ-PZJWPPBQSA-N 0 0 389.434 3.377 20 30 GGEDRN CCN(Cc1cccc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1)C(C)=O ZINC000132569935 1416786723 /nfs/dbraw/zinc/78/67/23/1416786723.db2.gz YREOROXWPXRERD-UHFFFAOYSA-N 0 0 392.459 3.222 20 30 GGEDRN CSc1nc(C2CC2)cc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c1C#N ZINC000132576195 1416787163 /nfs/dbraw/zinc/78/71/63/1416787163.db2.gz OHRVXASRYPSFSF-AWEZNQCLSA-N 0 0 383.477 3.180 20 30 GGEDRN N#Cc1cccc(OCc2cccc(C(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)c2)c1 ZINC000132578594 1416787789 /nfs/dbraw/zinc/78/77/89/1416787789.db2.gz STYAIGOBROMHNN-RTWAWAEBSA-N 0 0 389.455 3.020 20 30 GGEDRN N#Cc1cccc(OCc2cccc(C(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)c2)c1 ZINC000132578393 1416787882 /nfs/dbraw/zinc/78/78/82/1416787882.db2.gz STYAIGOBROMHNN-SFTDATJTSA-N 0 0 389.455 3.020 20 30 GGEDRN Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C(=O)N(CCC#N)CC2CC2)cc1 ZINC000132596757 1416790871 /nfs/dbraw/zinc/79/08/71/1416790871.db2.gz FCYAHNOACXETNV-UHFFFAOYSA-N 0 0 393.491 3.395 20 30 GGEDRN N#Cc1ccnc(NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000132596105 1416790876 /nfs/dbraw/zinc/79/08/76/1416790876.db2.gz ZCSLIGQZTCKNAD-GFCCVEGCSA-N 0 0 396.325 3.023 20 30 GGEDRN CC(C)c1nccn1Cc1cccc(NC(=O)C(=O)N(CCC#N)CC2CC2)c1 ZINC000132610579 1416793307 /nfs/dbraw/zinc/79/33/07/1416793307.db2.gz SNZACYRFYQCFDC-UHFFFAOYSA-N 0 0 393.491 3.146 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(-c4ncco4)cc3)CC2)nc1 ZINC000132617988 1416794493 /nfs/dbraw/zinc/79/44/93/1416794493.db2.gz VDZOZYXRVBLGKB-UHFFFAOYSA-N 0 0 388.431 3.399 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)[C@H](C)c2ccco2)c1C ZINC000132623049 1416795211 /nfs/dbraw/zinc/79/52/11/1416795211.db2.gz VCVCFNZPFCTYNZ-OAHLLOKOSA-N 0 0 391.431 3.112 20 30 GGEDRN C#CCOc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1 ZINC000132640599 1416798678 /nfs/dbraw/zinc/79/86/78/1416798678.db2.gz PCGQDHKLAOFTCB-HUUCEWRRSA-N 0 0 385.489 3.017 20 30 GGEDRN CCCS(=O)(=O)Nc1cccc(C(=O)OC[C@H](C#N)Cc2ccccc2)c1 ZINC000132645344 1416799048 /nfs/dbraw/zinc/79/90/48/1416799048.db2.gz DCWNAHQSFJHBMD-KRWDZBQOSA-N 0 0 386.473 3.378 20 30 GGEDRN CCCS(=O)(=O)Nc1cccc(C(=O)OC[C@@H](C#N)Cc2ccccc2)c1 ZINC000132645585 1416799212 /nfs/dbraw/zinc/79/92/12/1416799212.db2.gz DCWNAHQSFJHBMD-QGZVFWFLSA-N 0 0 386.473 3.378 20 30 GGEDRN N#CCCN(CC1CC1)C(=O)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000132658508 1416800688 /nfs/dbraw/zinc/80/06/88/1416800688.db2.gz FFGOWXFBFSEADA-UHFFFAOYSA-N 0 0 396.491 3.296 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc3c(c2)ncn3C)ccc1OC ZINC000132666418 1416801729 /nfs/dbraw/zinc/80/17/29/1416801729.db2.gz YKPZRWCNOYZGMK-INIZCTEOSA-N 0 0 378.432 3.193 20 30 GGEDRN Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)C(=O)N(CCC#N)CC1CC1 ZINC000132668708 1416801882 /nfs/dbraw/zinc/80/18/82/1416801882.db2.gz NSBCCGDIPMJJMN-UHFFFAOYSA-N 0 0 393.447 3.013 20 30 GGEDRN N#CCCN(CC1CC1)C(=O)C(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000132675200 1416802470 /nfs/dbraw/zinc/80/24/70/1416802470.db2.gz WCZALTYBCWKMIQ-UHFFFAOYSA-N 0 0 394.500 3.465 20 30 GGEDRN COc1ccc(/C=C/C(=O)c2ccc(S(C)(=O)=O)c(F)c2)cc1[N+](=O)[O-] ZINC000132682225 1416803172 /nfs/dbraw/zinc/80/31/72/1416803172.db2.gz MQQBSOIRLIDSQE-ZZXKWVIFSA-N 0 0 379.365 3.042 20 30 GGEDRN COc1ccc(NC(=O)C(=O)N(CCC#N)CC2CC2)cc1Cc1ccccc1 ZINC000132682973 1416803556 /nfs/dbraw/zinc/80/35/56/1416803556.db2.gz 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C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@@H]2CC(=O)OC)c1=S ZINC000178778225 1429167579 /nfs/dbraw/zinc/16/75/79/1429167579.db2.gz JHAYXILPXBHGOB-QGZVFWFLSA-N 0 0 386.521 3.176 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC2)c(F)c1 ZINC000135445610 1417220767 /nfs/dbraw/zinc/22/07/67/1417220767.db2.gz ZCKZUAGASAPWRZ-UHFFFAOYSA-N 0 0 394.381 3.454 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(F)cc3)on2)CC1 ZINC000135444575 1417220789 /nfs/dbraw/zinc/22/07/89/1417220789.db2.gz OBWWDIPWFOAACS-UHFFFAOYSA-N 0 0 376.391 3.315 20 30 GGEDRN N#Cc1cc(NC(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)ccc1OCC(F)(F)F ZINC000135442287 1417220809 /nfs/dbraw/zinc/22/08/09/1417220809.db2.gz CQWAIQWZVFEPQC-KBPBESRZSA-N 0 0 398.385 3.055 20 30 GGEDRN N#Cc1ccc(CCC(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000135453767 1417222201 /nfs/dbraw/zinc/22/22/01/1417222201.db2.gz SCHMFLIKWGZTNS-SFHVURJKSA-N 0 0 385.826 3.205 20 30 GGEDRN N#Cc1ccc(CCC(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000135453746 1417222288 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COc1ccc(C[C@H](C)CNC(=O)NCc2cc(C#N)ccc2F)cc1OC ZINC000135523457 1417232840 /nfs/dbraw/zinc/23/28/40/1417232840.db2.gz DWVOVNLVDILDOZ-AWEZNQCLSA-N 0 0 385.439 3.393 20 30 GGEDRN C[C@H](NC(=O)NCc1cccc(OCC#N)c1)c1noc(-c2ccccc2)n1 ZINC000135533342 1417233770 /nfs/dbraw/zinc/23/37/70/1417233770.db2.gz LCDMXTBTKKMIHC-AWEZNQCLSA-N 0 0 377.404 3.199 20 30 GGEDRN CC[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000135546281 1417236466 /nfs/dbraw/zinc/23/64/66/1417236466.db2.gz BBGZQBYLJUOOMK-LJQANCHMSA-N 0 0 378.432 3.401 20 30 GGEDRN CN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1CCCc2c1cnn2C ZINC000135556749 1417237374 /nfs/dbraw/zinc/23/73/74/1417237374.db2.gz IRBDAVOKCAZISE-LJQANCHMSA-N 0 0 375.476 3.481 20 30 GGEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1nc[nH]n1 ZINC000135558840 1417237462 /nfs/dbraw/zinc/23/74/62/1417237462.db2.gz QNVXOXAAZODGSA-UHFFFAOYSA-N 0 0 382.449 3.395 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)CN(C)[C@@H]2CCCc3c2cnn3C)cc1C ZINC000135592621 1417241934 /nfs/dbraw/zinc/24/19/34/1417241934.db2.gz OVFDVSSTFXKFAP-HXUWFJFHSA-N 0 0 379.508 3.293 20 30 GGEDRN C=C[C@H](CC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000135647121 1417253399 /nfs/dbraw/zinc/25/33/99/1417253399.db2.gz NGDJJSWUEGFXSX-QAPCUYQASA-N 0 0 399.516 3.419 20 30 GGEDRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)NCc2cccc(C#N)c2)c1 ZINC000135779388 1417267429 /nfs/dbraw/zinc/26/74/29/1417267429.db2.gz BVLLUJXAOIILMX-UHFFFAOYSA-N 0 0 398.850 3.205 20 30 GGEDRN C=CC1CCN(C(=O)C(=O)Nc2cc(NC(=O)CCC)ccc2Cl)CC1 ZINC000135854836 1417273551 /nfs/dbraw/zinc/27/35/51/1417273551.db2.gz CUCYKZVXKWBDOL-UHFFFAOYSA-N 0 0 377.872 3.442 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(SC(F)F)nc1)c1ccc(C#N)cc1 ZINC000135867959 1417274543 /nfs/dbraw/zinc/27/45/43/1417274543.db2.gz SVLIPUFKTPJGFZ-SNVBAGLBSA-N 0 0 376.388 3.084 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(SC(F)F)nc1)c1ccc(C#N)cc1 ZINC000135867926 1417274843 /nfs/dbraw/zinc/27/48/43/1417274843.db2.gz SVLIPUFKTPJGFZ-JTQLQIEISA-N 0 0 376.388 3.084 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c(F)c1 ZINC000135910738 1417278035 /nfs/dbraw/zinc/27/80/35/1417278035.db2.gz XNGLHRPELPOIIM-UHFFFAOYSA-N 0 0 393.374 3.163 20 30 GGEDRN C[C@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000135940133 1417279554 /nfs/dbraw/zinc/27/95/54/1417279554.db2.gz MUUMZGACPLZCMY-LLVKDONJSA-N 0 0 382.420 3.465 20 30 GGEDRN C#CCSCCNC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000135949050 1417281176 /nfs/dbraw/zinc/28/11/76/1417281176.db2.gz UKZPJEJHTMSTTP-UHFFFAOYSA-N 0 0 385.464 3.244 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N(C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC000178796338 1429172379 /nfs/dbraw/zinc/17/23/79/1429172379.db2.gz CITLKDKGPBLBOM-WRHNGFHOSA-N 0 0 397.544 3.500 20 30 GGEDRN Cc1nc(COc2cccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)c2)no1 ZINC000136098971 1417291469 /nfs/dbraw/zinc/29/14/69/1417291469.db2.gz RBQXXJKUIUDRRA-INIZCTEOSA-N 0 0 387.399 3.334 20 30 GGEDRN C=CCNc1ncc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)s1 ZINC000136106730 1417292017 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378.457 3.067 20 30 GGEDRN CN(CCc1cccc2ccccc21)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136155572 1417295956 /nfs/dbraw/zinc/29/59/56/1417295956.db2.gz VYYUTNHQPGRMMM-UHFFFAOYSA-N 0 0 375.403 3.490 20 30 GGEDRN COc1ccc(CC2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)CC2)cc1 ZINC000136152474 1417296152 /nfs/dbraw/zinc/29/61/52/1417296152.db2.gz ZHLLVNYZBNDAOX-UHFFFAOYSA-N 0 0 395.434 3.126 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)[C@@H]2COc3ccc(Br)cc32)c1 ZINC000136180568 1417298332 /nfs/dbraw/zinc/29/83/32/1417298332.db2.gz NODCJCPTSVSMIG-CQSZACIVSA-N 0 0 375.197 3.252 20 30 GGEDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)C#Cc2ccc3c(c2)OCO3)c1 ZINC000136177184 1417298373 /nfs/dbraw/zinc/29/83/73/1417298373.db2.gz JCWIVMFRICAHKK-HNNXBMFYSA-N 0 0 378.428 3.068 20 30 GGEDRN C=C(C)COCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC ZINC000136174749 1417298491 /nfs/dbraw/zinc/29/84/91/1417298491.db2.gz ULZPVEWZDAOBKJ-UHFFFAOYSA-N 0 0 394.928 3.419 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)[C@H]2COc3ccc(Br)cc32)c1 ZINC000136180613 1417298801 /nfs/dbraw/zinc/29/88/01/1417298801.db2.gz NODCJCPTSVSMIG-AWEZNQCLSA-N 0 0 375.197 3.252 20 30 GGEDRN O=C(C#Cc1ccc2c(c1)OCO2)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000136189964 1417299596 /nfs/dbraw/zinc/29/95/96/1417299596.db2.gz FZROSNPXHSGUDG-UHFFFAOYSA-N 0 0 376.412 3.032 20 30 GGEDRN N#Cc1ccc(OCc2ccc(C(=O)NCCCNc3ccccn3)o2)cc1 ZINC000136191625 1417299668 /nfs/dbraw/zinc/29/96/68/1417299668.db2.gz IKERSOQMPSGRGU-UHFFFAOYSA-N 0 0 376.416 3.357 20 30 GGEDRN C=C(C)COCCNC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC000136195619 1417300071 /nfs/dbraw/zinc/30/00/71/1417300071.db2.gz MSWWOOCECUPQNI-UHFFFAOYSA-N 0 0 394.397 3.486 20 30 GGEDRN O=C(C#Cc1ccc2c(c1)OCO2)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000136192007 1417300373 /nfs/dbraw/zinc/30/03/73/1417300373.db2.gz JQGAFDUTRFJXCV-UHFFFAOYSA-N 0 0 390.439 3.212 20 30 GGEDRN C=CCNc1ncc(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)s1 ZINC000136218958 1417301914 /nfs/dbraw/zinc/30/19/14/1417301914.db2.gz RKGLNYZPALMPPP-LBPRGKRZSA-N 0 0 378.448 3.276 20 30 GGEDRN C#CCOc1cccc(NC(=O)C(=O)NCC2(c3ccccc3Cl)CC2)c1 ZINC000136255206 1417304976 /nfs/dbraw/zinc/30/49/76/1417304976.db2.gz GLVQOJGHGAXJEY-UHFFFAOYSA-N 0 0 382.847 3.139 20 30 GGEDRN CCc1cccc2c(CCNC(=O)C(=O)Nc3ccc(C#N)cc3F)c[nH]c21 ZINC000136251085 1417305065 /nfs/dbraw/zinc/30/50/65/1417305065.db2.gz NDDPLKJFMYQAAV-UHFFFAOYSA-N 0 0 378.407 3.038 20 30 GGEDRN O=C(C#Cc1ccc2c(c1)OCO2)NCCCc1nc(-c2ccncc2)cs1 ZINC000136253019 1417305181 /nfs/dbraw/zinc/30/51/81/1417305181.db2.gz KQMKSYNDPQQTDE-UHFFFAOYSA-N 0 0 391.452 3.034 20 30 GGEDRN CC(C)(C)c1cccc(OCCNC(=O)C(=O)Nc2ccc(C#N)cc2F)c1 ZINC000136282432 1417307240 /nfs/dbraw/zinc/30/72/40/1417307240.db2.gz BJIJEOXQYIYKDU-UHFFFAOYSA-N 0 0 383.423 3.129 20 30 GGEDRN O=C(C#Cc1ccc2c(c1)OCO2)N(Cc1ccccc1)CC1CCOCC1 ZINC000136277096 1417307271 /nfs/dbraw/zinc/30/72/71/1417307271.db2.gz VIWWPAKDDMGNHF-UHFFFAOYSA-N 0 0 377.440 3.222 20 30 GGEDRN O=C(C#Cc1ccc2c(c1)OCO2)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000136293660 1417307674 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3.230 20 30 GGEDRN CCC(=O)N1CC[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1 ZINC000136395912 1417313785 /nfs/dbraw/zinc/31/37/85/1417313785.db2.gz HTLFEOALILNTBI-SFHVURJKSA-N 0 0 377.444 3.400 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ncc(-c2ccccc2)o1 ZINC000136396798 1417313934 /nfs/dbraw/zinc/31/39/34/1417313934.db2.gz VZDLSUCXBAQNNS-LBPRGKRZSA-N 0 0 378.363 3.168 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(F)c1 ZINC000136454298 1417317890 /nfs/dbraw/zinc/31/78/90/1417317890.db2.gz YRRLZSSKMVUJQS-UHFFFAOYSA-N 0 0 384.798 3.129 20 30 GGEDRN N#CC1CCN(C(=O)Nc2cnc(Br)c(Br)c2)CC1 ZINC000136513793 1417322674 /nfs/dbraw/zinc/32/26/74/1417322674.db2.gz HCZGMOOJZLHRCV-UHFFFAOYSA-N 0 0 388.063 3.374 20 30 GGEDRN CCOc1ccccc1NC(=O)CCN1CCN(c2cccc(F)c2C#N)CC1 ZINC000136538942 1417324462 /nfs/dbraw/zinc/32/44/62/1417324462.db2.gz AMVUNMANNATQEV-UHFFFAOYSA-N 0 0 396.466 3.247 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)cc1OC ZINC000136562469 1417326901 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GGEDRN Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cnn1-c1ccccn1 ZINC000136655274 1417336173 /nfs/dbraw/zinc/33/61/73/1417336173.db2.gz UQFBOWJACMFTNQ-ZDUSSCGKSA-N 0 0 397.797 3.329 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)NCC2C3CC4CC(C3)CC2C4)c1 ZINC000136666792 1417336650 /nfs/dbraw/zinc/33/66/50/1417336650.db2.gz AXGCDTZSFDQOPS-UHFFFAOYSA-N 0 0 395.503 3.496 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NCCc2cc3ccccc3[nH]2)c1 ZINC000136705527 1417341028 /nfs/dbraw/zinc/34/10/28/1417341028.db2.gz VRRQXKDPHXCWFG-UHFFFAOYSA-N 0 0 377.444 3.420 20 30 GGEDRN C=C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1 ZINC000136817540 1417348071 /nfs/dbraw/zinc/34/80/71/1417348071.db2.gz AJMNBGVRKACHIS-OXJNMPFZSA-N 0 0 389.455 3.396 20 30 GGEDRN C=CCn1c(=O)c2ccccc2nc1SC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136837881 1417349673 /nfs/dbraw/zinc/34/96/73/1417349673.db2.gz BPVSTUNGBXCOOO-QGZVFWFLSA-N 0 0 383.429 3.316 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000136854934 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385.471 3.249 20 30 GGEDRN C=CCSc1ccccc1NC(=O)COC(=O)c1ccc(CNC(C)=O)cc1 ZINC000139246830 1417453761 /nfs/dbraw/zinc/45/37/61/1417453761.db2.gz XWBVSPZGHMGJII-UHFFFAOYSA-N 0 0 398.484 3.396 20 30 GGEDRN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN2CCO[C@@H](C)[C@@H]2C)c1C#N ZINC000139245105 1417453892 /nfs/dbraw/zinc/45/38/92/1417453892.db2.gz UQKCJRQQFKKJLD-IRXDYDNUSA-N 0 0 398.482 3.212 20 30 GGEDRN C=CCc1cc([C@H]2NC(=O)N(CC=C)C(C)=C2C(=O)OCC)cc(OC)c1O ZINC000139427089 1417458914 /nfs/dbraw/zinc/45/89/14/1417458914.db2.gz NWIRSVCKSSZDOR-GOSISDBHSA-N 0 0 386.448 3.219 20 30 GGEDRN N#CCn1cc(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)cn1 ZINC000139522085 1417462070 /nfs/dbraw/zinc/46/20/70/1417462070.db2.gz HSZPOUVWEIFQFX-UHFFFAOYSA-N 0 0 393.407 3.107 20 30 GGEDRN Cc1ccc2nc(COc3cccc(C(=O)Nc4cnn(CC#N)c4)c3)cn2c1 ZINC000139516344 1417462423 /nfs/dbraw/zinc/46/24/23/1417462423.db2.gz QOWFPVSXABKYGJ-UHFFFAOYSA-N 0 0 386.415 3.194 20 30 GGEDRN N#CCn1cc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cn1 ZINC000139592831 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GGEDRN C[C@@H](C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)N1CCSCC1 ZINC000152075080 1418138565 /nfs/dbraw/zinc/13/85/65/1418138565.db2.gz HBAXDEHFAVHZIV-UWJYYQICSA-N 0 0 395.528 3.384 20 30 GGEDRN C[C@@H](C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)N1CCSCC1 ZINC000152075235 1418138626 /nfs/dbraw/zinc/13/86/26/1418138626.db2.gz HBAXDEHFAVHZIV-LAUBAEHRSA-N 0 0 395.528 3.384 20 30 GGEDRN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000152077807 1418138899 /nfs/dbraw/zinc/13/88/99/1418138899.db2.gz OPFMYZSRDKOMCE-LLVKDONJSA-N 0 0 386.267 3.128 20 30 GGEDRN Cc1nc(SCC(=O)N[C@H]2CCCn3nc(C(C)C)nc32)c(C#N)c(C)c1C ZINC000152084044 1418140528 /nfs/dbraw/zinc/14/05/28/1418140528.db2.gz VHIQDBBJWSFUHK-INIZCTEOSA-N 0 0 398.536 3.337 20 30 GGEDRN COC(=O)[C@H](C)[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000152098905 1418145488 /nfs/dbraw/zinc/14/54/88/1418145488.db2.gz JHRFQTSBMCQILO-KUHUBIRLSA-N 0 0 376.416 3.248 20 30 GGEDRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000152109474 1418148055 /nfs/dbraw/zinc/14/80/55/1418148055.db2.gz PWSBCTRESVSKBE-KRWDZBQOSA-N 0 0 399.397 3.397 20 30 GGEDRN N#Cc1ccc(NC(=O)CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1Cl ZINC000152152744 1418159009 /nfs/dbraw/zinc/15/90/09/1418159009.db2.gz LULMNPQWCZTUSS-AWEZNQCLSA-N 0 0 384.871 3.025 20 30 GGEDRN CC(C)(C)c1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)nn1 ZINC000152153906 1418159521 /nfs/dbraw/zinc/15/95/21/1418159521.db2.gz NRFSOOWGCCPURV-UHFFFAOYSA-N 0 0 379.464 3.440 20 30 GGEDRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000152158181 1418160806 /nfs/dbraw/zinc/16/08/06/1418160806.db2.gz NFDAVGVPNXSXGE-VLIAUNLRSA-N 0 0 391.537 3.274 20 30 GGEDRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000152157937 1418160974 /nfs/dbraw/zinc/16/09/74/1418160974.db2.gz NFDAVGVPNXSXGE-VBKZILBWSA-N 0 0 391.537 3.274 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C1 ZINC000152159524 1418161298 /nfs/dbraw/zinc/16/12/98/1418161298.db2.gz DXKBXMVAMNDGPS-MGNBDDOMSA-N 0 0 394.258 3.178 20 30 GGEDRN CCNC(=O)c1cccc(CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1 ZINC000178997490 1429238564 /nfs/dbraw/zinc/23/85/64/1429238564.db2.gz QPRWTSAAJVKRGB-UHFFFAOYSA-N 0 0 380.448 3.417 20 30 GGEDRN COc1cc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000152171176 1418163840 /nfs/dbraw/zinc/16/38/40/1418163840.db2.gz RWARAIJKFYTMTO-BMLIUANNSA-N 0 0 383.351 3.407 20 30 GGEDRN COc1cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000152171260 1418164070 /nfs/dbraw/zinc/16/40/70/1418164070.db2.gz RWARAIJKFYTMTO-DYZYQPBXSA-N 0 0 383.351 3.407 20 30 GGEDRN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000152183474 1418167454 /nfs/dbraw/zinc/16/74/54/1418167454.db2.gz FZVCUESDCJATBH-AUUYWEPGSA-N 0 0 395.500 3.057 20 30 GGEDRN COc1ccc([C@@H](NCC(=O)N[C@@](C)(C#N)C2CC2)c2ccccc2OC)cc1 ZINC000152188823 1418168371 /nfs/dbraw/zinc/16/83/71/1418168371.db2.gz JOCXTNXTRXQFMZ-PKTZIBPZSA-N 0 0 393.487 3.191 20 30 GGEDRN COc1ccc([C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c2ccccc2OC)cc1 ZINC000152189869 1418169252 /nfs/dbraw/zinc/16/92/52/1418169252.db2.gz SBXIYAAJSKGHBB-DHIUTWEWSA-N 0 0 395.503 3.437 20 30 GGEDRN N#CC(C(=O)CCc1ccc(F)cc1F)c1nc(N)nc(Nc2ccccc2)n1 ZINC000152221912 1418176988 /nfs/dbraw/zinc/17/69/88/1418176988.db2.gz BUFFJDVMSMQMGA-OAHLLOKOSA-N 0 0 394.385 3.285 20 30 GGEDRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CC[C@H](O)C3)sc2C1 ZINC000152225073 1418178243 /nfs/dbraw/zinc/17/82/43/1418178243.db2.gz KWSOIUSBHLGNFA-KBPBESRZSA-N 0 0 375.538 3.166 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(=O)[nH]c3cc(F)ccc32)c1 ZINC000152230574 1418179466 /nfs/dbraw/zinc/17/94/66/1418179466.db2.gz URTNZTOIRXOKKE-HNNXBMFYSA-N 0 0 379.391 3.278 20 30 GGEDRN CCOc1cccc(CNS(=O)(=O)Cc2cccc(C#N)c2)c1OC(F)F ZINC000152246482 1418183181 /nfs/dbraw/zinc/18/31/81/1418183181.db2.gz ZBEGVJMBPHTZBW-UHFFFAOYSA-N 0 0 396.415 3.178 20 30 GGEDRN Cc1cn(C[C@H](O)c2ccccc2Br)c(=O)n1-c1ccc(C#N)cc1 ZINC000179004025 1429240185 /nfs/dbraw/zinc/24/01/85/1429240185.db2.gz JUCUEDXIKROKIW-SFHVURJKSA-N 0 0 398.260 3.315 20 30 GGEDRN C#CCNC(=O)c1ccc(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)nc1 ZINC000152256164 1418185961 /nfs/dbraw/zinc/18/59/61/1418185961.db2.gz BLBXYDUJAPDKHL-MRXNPFEDSA-N 0 0 380.517 3.164 20 30 GGEDRN N#CCOc1ccc(CC(=O)OCc2cn(-c3ccccc3Cl)nn2)cc1 ZINC000152261710 1418187557 /nfs/dbraw/zinc/18/75/57/1418187557.db2.gz UPWWSYJARLNKHN-UHFFFAOYSA-N 0 0 382.807 3.109 20 30 GGEDRN Cc1sc(NC(=O)CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(C#N)c1C ZINC000152279864 1418192921 /nfs/dbraw/zinc/19/29/21/1418192921.db2.gz SUOXWGHGAGMGLV-CQSZACIVSA-N 0 0 384.509 3.050 20 30 GGEDRN C#C[C@H](OC(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1)C1CC1 ZINC000152303256 1418198992 /nfs/dbraw/zinc/19/89/92/1418198992.db2.gz UKDLIJSSLFZQEY-AAEUAGOBSA-N 0 0 376.503 3.178 20 30 GGEDRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)/C=C/c2ccccc2C#N)c1 ZINC000179013977 1429242936 /nfs/dbraw/zinc/24/29/36/1429242936.db2.gz WFOMULHUGZANSZ-PCUGXKRQSA-N 0 0 397.500 3.428 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)C(=O)N(C)CCCc2ccccc2)cc1C#N ZINC000179024933 1429245070 /nfs/dbraw/zinc/24/50/70/1429245070.db2.gz CBDKAZCPWKNIDF-UHFFFAOYSA-N 0 0 379.460 3.375 20 30 GGEDRN C=C[C@@H](CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC000179029872 1429246199 /nfs/dbraw/zinc/24/61/99/1429246199.db2.gz FXYBKRUHQGRCER-IRXDYDNUSA-N 0 0 386.517 3.474 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCc3cc(F)ccc32)cc1C#N ZINC000179031245 1429246380 /nfs/dbraw/zinc/24/63/80/1429246380.db2.gz GFYALLMZUHJQAY-GOSISDBHSA-N 0 0 381.407 3.227 20 30 GGEDRN CCOc1ccc(Cl)cc1CCNC(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000179035299 1429247298 /nfs/dbraw/zinc/24/72/98/1429247298.db2.gz CLAOXOMNSFIMEK-UHFFFAOYSA-N 0 0 385.851 3.216 20 30 GGEDRN Cc1cccc2c1CCN(C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)C2 ZINC000179037776 1429247414 /nfs/dbraw/zinc/24/74/14/1429247414.db2.gz GPSJIVQNUAEEIB-UHFFFAOYSA-N 0 0 377.444 3.177 20 30 GGEDRN COc1cc(CCNC(=O)CNc2cccc(C#N)c2C)ccc1OC(F)F ZINC000179053495 1429251013 /nfs/dbraw/zinc/25/10/13/1429251013.db2.gz BQMDSLGQRUOAHL-UHFFFAOYSA-N 0 0 389.402 3.248 20 30 GGEDRN CCOc1ccc(Cl)cc1CCNC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000179035161 1429246870 /nfs/dbraw/zinc/24/68/70/1429246870.db2.gz SXGHSTXMPOUKPW-UHFFFAOYSA-N 0 0 385.851 3.216 20 30 GGEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1)c1ccccc1 ZINC000179091176 1429259385 /nfs/dbraw/zinc/25/93/85/1429259385.db2.gz ZXIWUNVGWVDJTB-LJQANCHMSA-N 0 0 375.432 3.030 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1(Cc2ccccc2)CC1 ZINC000179107293 1429264957 /nfs/dbraw/zinc/26/49/57/1429264957.db2.gz NQKVHRCCANIWMA-UHFFFAOYSA-N 0 0 377.444 3.035 20 30 GGEDRN Cc1cc(Cl)c(NC(=O)C(=O)NCc2ccc(OCC#N)cc2)cc1Cl ZINC000179127105 1429270511 /nfs/dbraw/zinc/27/05/11/1429270511.db2.gz CRCCGNOFHPPGDO-UHFFFAOYSA-N 0 0 392.242 3.459 20 30 GGEDRN C=CCCOCCNC(=O)Nc1cc(C)nn1-c1ccc(C(F)(F)F)cn1 ZINC000179159018 1429281414 /nfs/dbraw/zinc/28/14/14/1429281414.db2.gz WMCVHRDMPHDRMB-UHFFFAOYSA-N 0 0 383.374 3.309 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCc1nc(C(F)(F)F)cs1 ZINC000179165785 1429283241 /nfs/dbraw/zinc/28/32/41/1429283241.db2.gz KSQQFRWZYNVDMX-UHFFFAOYSA-N 0 0 385.367 3.015 20 30 GGEDRN C[C@@H]1CC[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c2ccccc21 ZINC000179192572 1429290826 /nfs/dbraw/zinc/29/08/26/1429290826.db2.gz TXWXWJPIEYMPFV-UZLBHIALSA-N 0 0 375.476 3.423 20 30 GGEDRN C#CCOCCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000179221471 1429298931 /nfs/dbraw/zinc/29/89/31/1429298931.db2.gz SJNXZGPECYRGPN-UHFFFAOYSA-N 0 0 377.419 3.335 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000179264221 1429307706 /nfs/dbraw/zinc/30/77/06/1429307706.db2.gz QDQNRJPJLZFYSG-UHFFFAOYSA-N 0 0 377.360 3.303 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)c1cccc(OCC(F)F)n1 ZINC000179249348 1429305272 /nfs/dbraw/zinc/30/52/72/1429305272.db2.gz LESJHIGEFGCXNQ-UHFFFAOYSA-N 0 0 377.416 3.260 20 30 GGEDRN CC[C@H](C#N)NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000179242571 1429302999 /nfs/dbraw/zinc/30/29/99/1429302999.db2.gz ZSCFLAJOWLKOBF-LLVKDONJSA-N 0 0 390.237 3.351 20 30 GGEDRN Cc1nc(C(=O)Nc2cc(C(N)=O)ccc2NCc2ccccc2)ccc1C#N ZINC000179240690 1429303226 /nfs/dbraw/zinc/30/32/26/1429303226.db2.gz MRBREORDHZSSIL-UHFFFAOYSA-N 0 0 385.427 3.225 20 30 GGEDRN Cc1cccc([C@H](NC(=O)C(=O)Nc2cccc(C#N)c2C)c2ccccn2)c1 ZINC000179270962 1429309484 /nfs/dbraw/zinc/30/94/84/1429309484.db2.gz XMKYUYRAUHGLDE-NRFANRHFSA-N 0 0 384.439 3.414 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)cc1C#N ZINC000179274465 1429310860 /nfs/dbraw/zinc/31/08/60/1429310860.db2.gz YXSOALRQZXYMJD-GFCCVEGCSA-N 0 0 398.385 3.339 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)Cn2c(C)nc3ccccc32)cc1C#N ZINC000179275768 1429311379 /nfs/dbraw/zinc/31/13/79/1429311379.db2.gz LVRWVHRACYNKFK-UHFFFAOYSA-N 0 0 377.404 3.424 20 30 GGEDRN N#CCOc1cccc(CC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000179275721 1429311468 /nfs/dbraw/zinc/31/14/68/1429311468.db2.gz XNALIBRRXKSCLP-UHFFFAOYSA-N 0 0 389.411 3.293 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(C(=O)NCC2(O)CCOCC2)cc1Cl ZINC000179292501 1429317264 /nfs/dbraw/zinc/31/72/64/1429317264.db2.gz GNTUMMHLNJBFLM-UHFFFAOYSA-N 0 0 386.835 3.275 20 30 GGEDRN CCc1c(C(=O)N2CCCN(c3ccccc3C#N)CC2)cnn1CC(C)C ZINC000179300525 1429320262 /nfs/dbraw/zinc/32/02/62/1429320262.db2.gz XSXGYWDLASQUHC-UHFFFAOYSA-N 0 0 379.508 3.326 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000179337831 1429334201 /nfs/dbraw/zinc/33/42/01/1429334201.db2.gz RJWFNXDRHKXXNY-ZDUSSCGKSA-N 0 0 379.386 3.141 20 30 GGEDRN N#Cc1ccc(C2=CC[N@H+](CCCOc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826384642 1429335525 /nfs/dbraw/zinc/33/55/25/1429335525.db2.gz CZUUEYMIZVCNBG-UHFFFAOYSA-N 0 0 386.459 3.297 20 30 GGEDRN N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(OCC(F)F)n1 ZINC000179341585 1429335812 /nfs/dbraw/zinc/33/58/12/1429335812.db2.gz KOFHXVTUMXOWKD-GFCCVEGCSA-N 0 0 379.750 3.340 20 30 GGEDRN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)NCCCCC#N)c1 ZINC000179348959 1429339269 /nfs/dbraw/zinc/33/92/69/1429339269.db2.gz UDYKJYAXYVCNQP-UHFFFAOYSA-N 0 0 381.480 3.227 20 30 GGEDRN Fc1ccc(-c2nn[n-]n2)cc1CN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000737649964 1429340377 /nfs/dbraw/zinc/34/03/77/1429340377.db2.gz MJMWBWVTXOJEPI-UHFFFAOYSA-N 0 0 383.271 3.323 20 30 GGEDRN COCCO[C@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000179353629 1429340433 /nfs/dbraw/zinc/34/04/33/1429340433.db2.gz KNTWLSCTZNSQPG-FPOVZHCZSA-N 0 0 387.524 3.066 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)[C@H]2CCC[C@H](C)C2)c1C ZINC000179346372 1429337522 /nfs/dbraw/zinc/33/75/22/1429337522.db2.gz VJXQWFLDAZFQNW-LIRRHRJNSA-N 0 0 393.491 3.336 20 30 GGEDRN COCCO[C@@H]1CCCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000179347031 1429338557 /nfs/dbraw/zinc/33/85/57/1429338557.db2.gz SOSFLSNJHGHSST-GOSISDBHSA-N 0 0 393.915 3.023 20 30 GGEDRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)NCCCCC#N)cc1 ZINC000179349113 1429338920 /nfs/dbraw/zinc/33/89/20/1429338920.db2.gz RKRBGSUBPACBNV-UHFFFAOYSA-N 0 0 381.480 3.227 20 30 GGEDRN CC(C)(C)c1cc(NC(=O)C(=O)NCCCCC#N)n(-c2ccc(F)cc2)n1 ZINC000179349093 1429339019 /nfs/dbraw/zinc/33/90/19/1429339019.db2.gz YTYHSQHOPZAJKR-UHFFFAOYSA-N 0 0 385.443 3.057 20 30 GGEDRN C=C[C@H](CC(=O)Nc1ccc(CC(=O)N[C@@H](CC)CO)cc1)c1ccccc1 ZINC000179360109 1429343278 /nfs/dbraw/zinc/34/32/78/1429343278.db2.gz PWXJLXGNAXNSNR-QUCCMNQESA-N 0 0 380.488 3.415 20 30 GGEDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000179374025 1429348954 /nfs/dbraw/zinc/34/89/54/1429348954.db2.gz CIOQXBUITCFDDD-HNNXBMFYSA-N 0 0 390.852 3.419 20 30 GGEDRN CC(C)[N@H+](CCC(=O)N(C)CCC#N)Cc1nnc(-c2ccccc2Cl)o1 ZINC000179384585 1429352838 /nfs/dbraw/zinc/35/28/38/1429352838.db2.gz UITFPRFZEADVNB-UHFFFAOYSA-N 0 0 389.887 3.363 20 30 GGEDRN N#CCOc1cccc(CC(=O)NCc2ccc(F)cc2Br)c1 ZINC000179386546 1429353451 /nfs/dbraw/zinc/35/34/51/1429353451.db2.gz XYBWYPDKNPEKJJ-UHFFFAOYSA-N 0 0 377.213 3.349 20 30 GGEDRN CC[C@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1c(C)noc1C ZINC000179394188 1429357532 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GGEDRN C=CCC[C@@H](NC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)c1ccccc1 ZINC000179421233 1429368493 /nfs/dbraw/zinc/36/84/93/1429368493.db2.gz BIUWGLIIXPGVRP-LJQANCHMSA-N 0 0 377.448 3.400 20 30 GGEDRN C=CCC[C@H](NC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)c1ccccc1 ZINC000179421225 1429368730 /nfs/dbraw/zinc/36/87/30/1429368730.db2.gz BIUWGLIIXPGVRP-IBGZPJMESA-N 0 0 377.448 3.400 20 30 GGEDRN Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)cnn1C1CCOCC1 ZINC000179423316 1429369412 /nfs/dbraw/zinc/36/94/12/1429369412.db2.gz XRYOGEDMTFXPJE-INIZCTEOSA-N 0 0 386.839 3.158 20 30 GGEDRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cccc(CC#N)c2)c1 ZINC000179428210 1429371625 /nfs/dbraw/zinc/37/16/25/1429371625.db2.gz RGHKJUBNUUAGLY-HNNXBMFYSA-N 0 0 385.489 3.223 20 30 GGEDRN N#Cc1ccccc1COc1ccc(C(=O)N2CCCC3(C2)OCCO3)cc1 ZINC000179433598 1429374349 /nfs/dbraw/zinc/37/43/49/1429374349.db2.gz OAPVOZXYIQBKAC-UHFFFAOYSA-N 0 0 378.428 3.116 20 30 GGEDRN N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000179457271 1429383198 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1429403204 /nfs/dbraw/zinc/40/32/04/1429403204.db2.gz RTUYAPOAVUPPLN-UHFFFAOYSA-N 0 0 388.265 3.306 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000179514102 1429403992 /nfs/dbraw/zinc/40/39/92/1429403992.db2.gz SQNZWSHJIUMCOO-UHFFFAOYSA-N 0 0 397.862 3.397 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000179519397 1429406839 /nfs/dbraw/zinc/40/68/39/1429406839.db2.gz DABQJIGYDHCTTH-SFHVURJKSA-N 0 0 393.491 3.427 20 30 GGEDRN CCn1nc(C)c(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1C ZINC000179524298 1429409270 /nfs/dbraw/zinc/40/92/70/1429409270.db2.gz QKZSTDOUNQGPMU-UHFFFAOYSA-N 0 0 382.468 3.298 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCCC2)n1 ZINC000179526305 1429410046 /nfs/dbraw/zinc/41/00/46/1429410046.db2.gz OMTAZBYQFZYDQP-SFHVURJKSA-N 0 0 393.491 3.496 20 30 GGEDRN N#Cc1ccc(CN(C2CC2)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000179531288 1429413031 /nfs/dbraw/zinc/41/30/31/1429413031.db2.gz NRHVWJMKCNSKOI-UHFFFAOYSA-N 0 0 385.445 3.003 20 30 GGEDRN CCN(C(=O)c1cc(S(=O)(=O)N(C)C)oc1C)c1ccc(C#N)c(Cl)c1 ZINC000179530071 1429411975 /nfs/dbraw/zinc/41/19/75/1429411975.db2.gz JKPDGBGAOMWUEH-UHFFFAOYSA-N 0 0 395.868 3.030 20 30 GGEDRN CCN(C(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(C#N)c(Cl)c1 ZINC000179533701 1429414045 /nfs/dbraw/zinc/41/40/45/1429414045.db2.gz CYIQUXCIVKNTKZ-UHFFFAOYSA-N 0 0 381.819 3.251 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCCc2ccc(C)cc21 ZINC000179533316 1429414459 /nfs/dbraw/zinc/41/44/59/1429414459.db2.gz QFHLMSJCHXLLEH-GOSISDBHSA-N 0 0 377.444 3.398 20 30 GGEDRN CNC(=O)COc1cccc(CC(=O)Nc2cc(C(C)(C)C)sc2C#N)c1 ZINC000179542803 1429419147 /nfs/dbraw/zinc/41/91/47/1429419147.db2.gz BKHBSTCODKYRNS-UHFFFAOYSA-N 0 0 385.489 3.223 20 30 GGEDRN N#C[C@H](NC(=O)[C@@H](c1ccccc1F)N1CCOCC1)c1ccccc1Cl ZINC000179549848 1429425117 /nfs/dbraw/zinc/42/51/17/1429425117.db2.gz FBLJIXGLYPDILD-RBUKOAKNSA-N 0 0 387.842 3.233 20 30 GGEDRN CN1CCN([C@H](C(=O)N[C@@H](C#N)c2ccccc2Cl)c2ccccc2)CC1 ZINC000179544821 1429421681 /nfs/dbraw/zinc/42/16/81/1429421681.db2.gz CWMNBYSZRPGGQQ-PMACEKPBSA-N 0 0 382.895 3.010 20 30 GGEDRN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N[C@@H](C#N)c1ccccc1Cl)C2=O ZINC000179546078 1429423208 /nfs/dbraw/zinc/42/32/08/1429423208.db2.gz WCXDVCJXVCPIIY-SJCJKPOMSA-N 0 0 381.819 3.014 20 30 GGEDRN COc1ccc(C(=O)N[C@H](C(=O)N[C@@H](C#N)c2ccccc2Cl)C(C)C)cc1 ZINC000179552638 1429427246 /nfs/dbraw/zinc/42/72/46/1429427246.db2.gz RIDSCKMEBCSVJO-OALUTQOASA-N 0 0 399.878 3.484 20 30 GGEDRN CC(C)(C)c1cc(NC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)c(C#N)s1 ZINC000179552704 1429427708 /nfs/dbraw/zinc/42/77/08/1429427708.db2.gz CCCURKRBTHEZCM-UHFFFAOYSA-N 0 0 396.472 3.328 20 30 GGEDRN COc1ccc(C(=O)N[C@H](C(=O)N[C@H](C#N)c2ccccc2Cl)C(C)C)cc1 ZINC000179552666 1429427903 /nfs/dbraw/zinc/42/79/03/1429427903.db2.gz RIDSCKMEBCSVJO-MOPGFXCFSA-N 0 0 399.878 3.484 20 30 GGEDRN N#C[C@H](NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)c1ccccc1Cl ZINC000179553616 1429427912 /nfs/dbraw/zinc/42/79/12/1429427912.db2.gz DNRYSGWLLWYDTN-RBUKOAKNSA-N 0 0 381.863 3.255 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc([N+](=O)[O-])ccc2SCC)c1 ZINC000179555082 1429428328 /nfs/dbraw/zinc/42/83/28/1429428328.db2.gz IEQKNFQQMXSNBE-UHFFFAOYSA-N 0 0 397.456 3.399 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(C(=O)N[C@H]2CCCCNC2=O)cc1Cl ZINC000179552584 1429426184 /nfs/dbraw/zinc/42/61/84/1429426184.db2.gz UXINEHXKJPPECM-INIZCTEOSA-N 0 0 383.835 3.402 20 30 GGEDRN CC(C)[C@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)N1C(=O)c2ccccc2C1=O ZINC000179552600 1429426333 /nfs/dbraw/zinc/42/63/33/1429426333.db2.gz FEINIYXFYNATCK-ZWKOTPCHSA-N 0 0 395.846 3.342 20 30 GGEDRN CC(C)[C@@H](C(=O)N[C@H](C#N)c1ccccc1Cl)N1C(=O)c2ccccc2C1=O ZINC000179552609 1429426459 /nfs/dbraw/zinc/42/64/59/1429426459.db2.gz FEINIYXFYNATCK-MSOLQXFVSA-N 0 0 395.846 3.342 20 30 GGEDRN N#Cc1ccc(Cl)cc1NC(=O)CN[C@H](CN1CCCC1=O)c1ccccc1 ZINC000179557527 1429430459 /nfs/dbraw/zinc/43/04/59/1429430459.db2.gz VHSIBJLDRRBLMG-LJQANCHMSA-N 0 0 396.878 3.103 20 30 GGEDRN Cc1ccc2c(c1)[C@@H](NC(=O)N1CCN(c3ncccc3C#N)CC1)CCC2 ZINC000179572177 1429442489 /nfs/dbraw/zinc/44/24/89/1429442489.db2.gz HRICAQHDGUADSQ-FQEVSTJZSA-N 0 0 375.476 3.171 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)cc1 ZINC000179577481 1429448201 /nfs/dbraw/zinc/44/82/01/1429448201.db2.gz NFZXUAXZUHHOAO-UHFFFAOYSA-N 0 0 376.391 3.425 20 30 GGEDRN Cc1ncc(CN(C)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)s1 ZINC000179577503 1429448235 /nfs/dbraw/zinc/44/82/35/1429448235.db2.gz ZHACLPDUZXOVEU-UHFFFAOYSA-N 0 0 385.493 3.250 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179596040 1429461212 /nfs/dbraw/zinc/46/12/12/1429461212.db2.gz JZOQUAWQGIVMIA-GOSISDBHSA-N 0 0 392.459 3.127 20 30 GGEDRN C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cccnc1Br ZINC000179597044 1429461478 /nfs/dbraw/zinc/46/14/78/1429461478.db2.gz YBQYGQLLJIPZGJ-UHFFFAOYSA-N 0 0 388.265 3.040 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179596032 1429461899 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GGEDRN CC(C)Oc1ccc(NC(=O)C(=O)NCC2(C)Cc3ccccc3C2)cc1C#N ZINC000179906488 1429634099 /nfs/dbraw/zinc/63/40/99/1429634099.db2.gz WUSKYJGVMDVLOW-UHFFFAOYSA-N 0 0 391.471 3.205 20 30 GGEDRN C=CCc1ccc(OCC(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)c(OC)c1 ZINC000155399461 1423348124 /nfs/dbraw/zinc/34/81/24/1423348124.db2.gz VXZPULZOKLKBPD-UHFFFAOYSA-N 0 0 382.460 3.204 20 30 GGEDRN N#CCCN(Cc1cccnc1)C(=O)CN[C@@H](c1ccccc1)C(F)(F)F ZINC000155402715 1423350401 /nfs/dbraw/zinc/35/04/01/1423350401.db2.gz MKTMVXBJVCGNAJ-SFHVURJKSA-N 0 0 376.382 3.217 20 30 GGEDRN COc1cc(/C=C/C(=O)NCC2([C@H](O)c3ccccc3)CC2)ccc1OCC#N ZINC000155405208 1423351046 /nfs/dbraw/zinc/35/10/46/1423351046.db2.gz MXZKYJNXNQFCFU-DQACCSDVSA-N 0 0 392.455 3.241 20 30 GGEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000155410641 1423353022 /nfs/dbraw/zinc/35/30/22/1423353022.db2.gz KPEUGTVMNSXJTG-INIZCTEOSA-N 0 0 385.445 3.252 20 30 GGEDRN N#Cc1ccc(CSCC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000155429321 1423359214 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RNYUFLVLOQATIA-CQSZACIVSA-N 0 0 378.867 3.261 20 30 GGEDRN FC(F)(F)Oc1ccc(C#CC[NH2+]C2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826368686 1423431381 /nfs/dbraw/zinc/43/13/81/1423431381.db2.gz YSIVHMBKFPVPCT-UHFFFAOYSA-N 0 0 399.376 3.396 20 30 GGEDRN COC(=O)c1ccc(N2CCN(C(=O)Nc3cccc(C#N)c3)[C@H](C)C2)cc1 ZINC000155588260 1423433651 /nfs/dbraw/zinc/43/36/51/1423433651.db2.gz LUEKKSQEAZJNPA-OAHLLOKOSA-N 0 0 378.432 3.087 20 30 GGEDRN COC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(C#N)cc3)[C@H](C)C2)cc1 ZINC000155588496 1423433707 /nfs/dbraw/zinc/43/37/07/1423433707.db2.gz NYMMAROAUUDKRA-OAHLLOKOSA-N 0 0 378.432 3.087 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccccc1Oc1ccccc1 ZINC000155588527 1423433880 /nfs/dbraw/zinc/43/38/80/1423433880.db2.gz IHWXGNMIKOOOIC-QGZVFWFLSA-N 0 0 399.454 3.491 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000155592969 1423436108 /nfs/dbraw/zinc/43/61/08/1423436108.db2.gz NSASQOGZWKYNKL-GOSISDBHSA-N 0 0 397.482 3.217 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1sccc1-c1ccccc1 ZINC000155597911 1423437244 /nfs/dbraw/zinc/43/72/44/1423437244.db2.gz GMLGHEVVFADXPN-OAHLLOKOSA-N 0 0 389.484 3.428 20 30 GGEDRN CC(=O)N[C@H](CC(=O)O[C@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000179922349 1429642297 /nfs/dbraw/zinc/64/22/97/1429642297.db2.gz KIOWOGGXILUQRE-VBNZEHGJSA-N 0 0 379.254 3.252 20 30 GGEDRN CN(C(=O)Nc1ccc(CC#N)cc1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000155614913 1423446921 /nfs/dbraw/zinc/44/69/21/1423446921.db2.gz NQUMXSOTJDYEES-MRXNPFEDSA-N 0 0 389.864 3.398 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1ccccc1Oc1cccnc1 ZINC000155615331 1423447082 /nfs/dbraw/zinc/44/70/82/1423447082.db2.gz JZPHVCDFUFLKJH-QGZVFWFLSA-N 0 0 386.459 3.246 20 30 GGEDRN CC(C)C(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1 ZINC000155615946 1423448917 /nfs/dbraw/zinc/44/89/17/1423448917.db2.gz GSYFTQQVBATMLK-UHFFFAOYSA-N 0 0 376.460 3.115 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000155616300 1423449008 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380.404 3.258 20 30 GGEDRN Cc1cc(C(=O)NCC2CCN(CC#N)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000155649932 1423468895 /nfs/dbraw/zinc/46/88/95/1423468895.db2.gz UGLMBZLTYLZPSD-UHFFFAOYSA-N 0 0 383.883 3.071 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000155654596 1423470788 /nfs/dbraw/zinc/47/07/88/1423470788.db2.gz FMPIQEJAIUMNLC-AWEZNQCLSA-N 0 0 394.866 3.367 20 30 GGEDRN Cc1nc([C@H](C#N)C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)sc1C ZINC000155663012 1423475110 /nfs/dbraw/zinc/47/51/10/1423475110.db2.gz RMGHSAPPKGSLAG-OAHLLOKOSA-N 0 0 378.461 3.211 20 30 GGEDRN Cn1cc(CN2CCN(c3ccc(Cl)cn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179926695 1429645412 /nfs/dbraw/zinc/64/54/12/1429645412.db2.gz RDBADDWKDVCLCV-UHFFFAOYSA-N 0 0 392.894 3.329 20 30 GGEDRN C=C(Br)CNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000155666921 1423476070 /nfs/dbraw/zinc/47/60/70/1423476070.db2.gz BFALYXMWRVCGGB-UHFFFAOYSA-N 0 0 396.466 3.066 20 30 GGEDRN N#Cc1cc(NC(=O)N[C@H](CO)Cc2ccccc2)ccc1OCC(F)(F)F ZINC000155669884 1423478304 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3.024 20 30 GGEDRN C=CCn1c(C)cc(C(=O)CN2CCC[C@H](c3nnc4ccccn43)C2)c1C ZINC000155750254 1423516428 /nfs/dbraw/zinc/51/64/28/1423516428.db2.gz OGIWDPZEFXGDID-SFHVURJKSA-N 0 0 377.492 3.396 20 30 GGEDRN Cc1ccccc1O[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000155752456 1423517271 /nfs/dbraw/zinc/51/72/71/1423517271.db2.gz UHZQEFOGQBFYHY-ICSRJNTNSA-N 0 0 377.444 3.312 20 30 GGEDRN Cc1ccccc1O[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000155753479 1423518789 /nfs/dbraw/zinc/51/87/89/1423518789.db2.gz SYKBHVSZSVKTBH-UYAOXDASSA-N 0 0 395.434 3.451 20 30 GGEDRN C[C@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccs1 ZINC000155755125 1423519488 /nfs/dbraw/zinc/51/94/88/1423519488.db2.gz DYVPKUBWVGROSZ-ZDUSSCGKSA-N 0 0 382.445 3.320 20 30 GGEDRN Cc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000155761410 1423522818 /nfs/dbraw/zinc/52/28/18/1423522818.db2.gz OVCOFRPCVNDSPV-QUCCMNQESA-N 0 0 377.444 3.312 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)c2cccc(C(=O)N3CCCC3)n2)cc1 ZINC000155765084 1423523701 /nfs/dbraw/zinc/52/37/01/1423523701.db2.gz RCKMCXSXQCJQPL-UHFFFAOYSA-N 0 0 392.459 3.277 20 30 GGEDRN CC(C)(C)CNC(=O)c1ccc(C(=O)NCc2cccc(OCC#N)c2)cc1 ZINC000155768771 1423525528 /nfs/dbraw/zinc/52/55/28/1423525528.db2.gz ITLNEYZYNVFYLU-UHFFFAOYSA-N 0 0 379.460 3.295 20 30 GGEDRN C=CCCCCCN(C)C(=O)C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000155785224 1423533329 /nfs/dbraw/zinc/53/33/29/1423533329.db2.gz BUMYDDHKMBOCHQ-UHFFFAOYSA-N 0 0 381.476 3.040 20 30 GGEDRN CCN(CC)C(=O)CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000155787657 1423534068 /nfs/dbraw/zinc/53/40/68/1423534068.db2.gz VXBDDTFIWULNCP-AWEZNQCLSA-N 0 0 390.553 3.016 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CCCOc3ccccc32)CC1 ZINC000155799823 1423538744 /nfs/dbraw/zinc/53/87/44/1423538744.db2.gz ZDWLMJMKQJEADF-LJQANCHMSA-N 0 0 394.450 3.443 20 30 GGEDRN CCc1c(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cnn1CC(C)C ZINC000155812654 1423544455 /nfs/dbraw/zinc/54/44/55/1423544455.db2.gz KEMZNSVYBVKNMF-UHFFFAOYSA-N 0 0 395.507 3.187 20 30 GGEDRN CC(C)C[C@H](C)NC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000155813516 1423546125 /nfs/dbraw/zinc/54/61/25/1423546125.db2.gz YEFFFRZPRQPFSJ-HNNXBMFYSA-N 0 0 394.541 3.494 20 30 GGEDRN COc1cc(C#N)ccc1OC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000155838056 1423555331 /nfs/dbraw/zinc/55/53/31/1423555331.db2.gz AWQNAGUBDRCXBF-GFCCVEGCSA-N 0 0 388.782 3.318 20 30 GGEDRN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)CNc1cccc(C#N)c1 ZINC000155863361 1423566094 /nfs/dbraw/zinc/56/60/94/1423566094.db2.gz WZQOWYUTDDHADS-HXUWFJFHSA-N 0 0 379.460 3.187 20 30 GGEDRN C[C@@H](NC(=O)CCc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000155864579 1423567442 /nfs/dbraw/zinc/56/74/42/1423567442.db2.gz GODPUDSMZFBSTI-QGZVFWFLSA-N 0 0 390.487 3.234 20 30 GGEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1ccccc1)CC1CCC1 ZINC000155878635 1423573352 /nfs/dbraw/zinc/57/33/52/1423573352.db2.gz XFLMKQXTWHXAFJ-UHFFFAOYSA-N 0 0 385.445 3.457 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NC1CCN(c2cccs2)CC1 ZINC000155880428 1423574309 /nfs/dbraw/zinc/57/43/09/1423574309.db2.gz SCEIDZOFUBGJPK-UHFFFAOYSA-N 0 0 385.537 3.193 20 30 GGEDRN CC#CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000155910131 1423591384 /nfs/dbraw/zinc/59/13/84/1423591384.db2.gz QQXREJNPMKTMNB-UHFFFAOYSA-N 0 0 380.828 3.033 20 30 GGEDRN N#Cc1ccsc1C(=O)NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1 ZINC000155919499 1423594333 /nfs/dbraw/zinc/59/43/33/1423594333.db2.gz LNSLTPAXJHSOQX-AWEZNQCLSA-N 0 0 386.477 3.486 20 30 GGEDRN N#C[C@@H](COC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)Cc1ccccc1 ZINC000155928872 1423597870 /nfs/dbraw/zinc/59/78/70/1423597870.db2.gz ZXJXUBHCJZJUJS-INIZCTEOSA-N 0 0 376.372 3.320 20 30 GGEDRN N#C[C@H]1CC[C@@H](OC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)C1 ZINC000179945638 1429655690 /nfs/dbraw/zinc/65/56/90/1429655690.db2.gz FWQVFTDQIRLBEP-DOTOQJQBSA-N 0 0 376.478 3.100 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000155929576 1423598922 /nfs/dbraw/zinc/59/89/22/1423598922.db2.gz UHDJYKPZYFZCPI-QGZVFWFLSA-N 0 0 397.862 3.215 20 30 GGEDRN C[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)Oc1cccc(Cl)c1 ZINC000155930961 1423598996 /nfs/dbraw/zinc/59/89/96/1423598996.db2.gz DVBKDYLTTPUFEB-LLVKDONJSA-N 0 0 392.242 3.387 20 30 GGEDRN COc1ccccc1C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000155954598 1423608556 /nfs/dbraw/zinc/60/85/56/1423608556.db2.gz NUKAPJXCYAIRTO-CYBMUJFWSA-N 0 0 385.851 3.248 20 30 GGEDRN COCCNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000155965443 1423612109 /nfs/dbraw/zinc/61/21/09/1423612109.db2.gz MCJNSFSKMOAZMR-UHFFFAOYSA-N 0 0 392.242 3.494 20 30 GGEDRN N#Cc1ccc(C(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)cc1 ZINC000155967373 1423613269 /nfs/dbraw/zinc/61/32/69/1423613269.db2.gz HTSWNPYIEDGGJT-QGZVFWFLSA-N 0 0 380.448 3.425 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)Cc2csc(-c3ccoc3)n2)CC1 ZINC000155977954 1423616976 /nfs/dbraw/zinc/61/69/76/1423616976.db2.gz FHHGWJCTKHPNTD-UHFFFAOYSA-N 0 0 396.447 3.305 20 30 GGEDRN C=CCCO[C@H](C)C(=O)NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 ZINC000155978841 1423617964 /nfs/dbraw/zinc/61/79/64/1423617964.db2.gz KYFZBIXEMKDJOE-HZPDHXFCSA-N 0 0 377.485 3.220 20 30 GGEDRN CSc1nc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c2ccccn21 ZINC000155978612 1423618298 /nfs/dbraw/zinc/61/82/98/1423618298.db2.gz GYKZRBZZXXWHCD-UHFFFAOYSA-N 0 0 395.463 3.029 20 30 GGEDRN C=CCNc1ncc(C(=O)NC[C@H](C)Cc2ccc(OC)c(OC)c2)s1 ZINC000155990053 1423623065 /nfs/dbraw/zinc/62/30/65/1423623065.db2.gz SAHAQWJMQSJJHK-CYBMUJFWSA-N 0 0 375.494 3.367 20 30 GGEDRN C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)Oc1ccc(Cl)cc1 ZINC000155988797 1423623497 /nfs/dbraw/zinc/62/34/97/1423623497.db2.gz SGPFBRUVGQHGOM-NSHDSACASA-N 0 0 392.242 3.387 20 30 GGEDRN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000155991036 1423624567 /nfs/dbraw/zinc/62/45/67/1423624567.db2.gz AZYSQGFGGGFOMU-CRAIPNDOSA-N 0 0 381.480 3.199 20 30 GGEDRN CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000155999532 1423627337 /nfs/dbraw/zinc/62/73/37/1423627337.db2.gz VJLZIDIIXPRPEB-OAHLLOKOSA-N 0 0 393.827 3.343 20 30 GGEDRN COc1c(C)cc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1C ZINC000179948824 1429658057 /nfs/dbraw/zinc/65/80/57/1429658057.db2.gz ORGGHMIPGKXMBQ-UHFFFAOYSA-N 0 0 379.460 3.397 20 30 GGEDRN Cn1cnnc1[C@H]1CCCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 ZINC000156013945 1423633451 /nfs/dbraw/zinc/63/34/51/1423633451.db2.gz RITXPGBTRTWTDU-SFHVURJKSA-N 0 0 386.459 3.450 20 30 GGEDRN CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C12CCCC2 ZINC000156014083 1423634410 /nfs/dbraw/zinc/63/44/10/1423634410.db2.gz UQMKDFBXJFSHBB-HZPDHXFCSA-N 0 0 375.856 3.004 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000156034148 1423643663 /nfs/dbraw/zinc/64/36/63/1423643663.db2.gz KBUNOVMZTUPEOX-IBGZPJMESA-N 0 0 382.464 3.153 20 30 GGEDRN CCOCCC1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000156043375 1423647330 /nfs/dbraw/zinc/64/73/30/1423647330.db2.gz IYHZJGFRKJLWQK-KRWDZBQOSA-N 0 0 388.487 3.172 20 30 GGEDRN Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000156043628 1423648325 /nfs/dbraw/zinc/64/83/25/1423648325.db2.gz XKZVCGCVDZGHLO-CXAGYDPISA-N 0 0 399.470 3.374 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000156053220 1423652100 /nfs/dbraw/zinc/65/21/00/1423652100.db2.gz UORRQPMIYUKOFU-VQIMIIECSA-N 0 0 392.846 3.449 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000156052993 1423652465 /nfs/dbraw/zinc/65/24/65/1423652465.db2.gz UORRQPMIYUKOFU-APWZRJJASA-N 0 0 392.846 3.449 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1cccc(-n2cccn2)c1 ZINC000156079254 1423663256 /nfs/dbraw/zinc/66/32/56/1423663256.db2.gz SNXXAURFNHMMON-ZDUSSCGKSA-N 0 0 393.834 3.213 20 30 GGEDRN C#CCCCCNC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000156089583 1423666707 /nfs/dbraw/zinc/66/67/07/1423666707.db2.gz SJPKAUALXQQVTQ-UHFFFAOYSA-N 0 0 390.549 3.104 20 30 GGEDRN N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(OCC(F)F)nc1 ZINC000156090980 1423667789 /nfs/dbraw/zinc/66/77/89/1423667789.db2.gz JUSOUTYSJZHRLG-NSHDSACASA-N 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CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000180098393 1429737793 /nfs/dbraw/zinc/73/77/93/1429737793.db2.gz GTKKMVFPLVJIGY-UKRRQHHQSA-N 0 0 380.535 3.311 20 30 GGEDRN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000160250700 1424590591 /nfs/dbraw/zinc/59/05/91/1424590591.db2.gz RKJCGMZGFDVPID-OAQYLSRUSA-N 0 0 399.454 3.233 20 30 GGEDRN Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000160261305 1424591488 /nfs/dbraw/zinc/59/14/88/1424591488.db2.gz MOFRIFCFLXZODT-INIZCTEOSA-N 0 0 387.443 3.177 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1n[nH]c(-c2ccc(C)o2)n1 ZINC000160265786 1424591550 /nfs/dbraw/zinc/59/15/50/1424591550.db2.gz HMSREXFJUWWWEM-UHFFFAOYSA-N 0 0 381.392 3.051 20 30 GGEDRN C=CCc1ccc(OCC(=O)Nc2ccc(C(=O)NC)cc2Cl)c(OC)c1 ZINC000160288616 1424592882 /nfs/dbraw/zinc/59/28/82/1424592882.db2.gz MTVZSECURVMJFQ-UHFFFAOYSA-N 0 0 388.851 3.454 20 30 GGEDRN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000180101409 1429738150 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/nfs/dbraw/zinc/82/13/56/1424821356.db2.gz ZOICMQNRLLKOGI-PKOBYXMFSA-N 0 0 377.492 3.095 20 30 GGEDRN CC[C@H](CSc1ccccc1)NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000162177603 1424823266 /nfs/dbraw/zinc/82/32/66/1424823266.db2.gz MIDMRYQNZTXBRJ-MRXNPFEDSA-N 0 0 383.517 3.483 20 30 GGEDRN C=CCn1c(-c2cnccn2)nn(CN(C)Cc2ncc(CC)s2)c1=S ZINC000162176319 1424823413 /nfs/dbraw/zinc/82/34/13/1424823413.db2.gz UYFUKERDTONRAR-UHFFFAOYSA-N 0 0 387.538 3.165 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)NCCCOc2cccc3cccnc32)c1 ZINC000162176420 1424823418 /nfs/dbraw/zinc/82/34/18/1424823418.db2.gz MISJDISPAHSZTE-UHFFFAOYSA-N 0 0 399.447 3.134 20 30 GGEDRN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000162199737 1424825794 /nfs/dbraw/zinc/82/57/94/1424825794.db2.gz JJNJGXQVOFQEPN-GXFFZTMASA-N 0 0 382.258 3.043 20 30 GGEDRN N#CC1(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)CCOCC1 ZINC000162207983 1424826889 /nfs/dbraw/zinc/82/68/89/1424826889.db2.gz PZIAGYCTWVNVAH-UHFFFAOYSA-N 0 0 387.483 3.221 20 30 GGEDRN N#Cc1cc(NC(=O)C[C@H](O)c2ccc(Cl)cc2)ccc1N1CCC(O)CC1 ZINC000180142365 1429756449 /nfs/dbraw/zinc/75/64/49/1429756449.db2.gz ZIGNHVFKWUDPNZ-FQEVSTJZSA-N 0 0 399.878 3.235 20 30 GGEDRN N#Cc1ccccc1COc1ccc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000162273152 1424833347 /nfs/dbraw/zinc/83/33/47/1424833347.db2.gz OFKOEJMMNIMDHP-LEWJYISDSA-N 0 0 394.496 3.484 20 30 GGEDRN Cc1cc(N(CCC#N)C(=O)CN(C)CC(=O)OC(C)(C)C)ccc1Cl ZINC000162275210 1424833378 /nfs/dbraw/zinc/83/33/78/1424833378.db2.gz XFIOENDPSILZNW-UHFFFAOYSA-N 0 0 379.888 3.169 20 30 GGEDRN N#Cc1ccccc1COc1ccc(C(=O)N2CCS[C@H]3COCC[C@H]32)cc1 ZINC000162273291 1424833538 /nfs/dbraw/zinc/83/35/38/1424833538.db2.gz OFKOEJMMNIMDHP-RTWAWAEBSA-N 0 0 394.496 3.484 20 30 GGEDRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@H](C#N)C1CCCCC1 ZINC000162285280 1424834231 /nfs/dbraw/zinc/83/42/31/1424834231.db2.gz LDEITSYSBAPUAP-GOSISDBHSA-N 0 0 391.537 3.274 20 30 GGEDRN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000162295369 1424835150 /nfs/dbraw/zinc/83/51/50/1424835150.db2.gz NWIOFUPCOGKSIR-RTWAWAEBSA-N 0 0 394.519 3.440 20 30 GGEDRN N#C[C@@H](NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C1CCCCC1 ZINC000162300095 1424835656 /nfs/dbraw/zinc/83/56/56/1424835656.db2.gz WQBQDDZQJCZNLF-OAHLLOKOSA-N 0 0 394.258 3.178 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)c1ccccc1F ZINC000162311058 1424836488 /nfs/dbraw/zinc/83/64/88/1424836488.db2.gz ANGABJXDHGBKLO-CQSZACIVSA-N 0 0 392.312 3.026 20 30 GGEDRN N#C[C@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)c1ccccc1F ZINC000162311155 1424836851 /nfs/dbraw/zinc/83/68/51/1424836851.db2.gz ANGABJXDHGBKLO-AWEZNQCLSA-N 0 0 392.312 3.026 20 30 GGEDRN C=C(C)COCCNC(=O)c1cccc(NC(=O)c2ccc3[nH]cnc3c2)c1 ZINC000162317805 1424837186 /nfs/dbraw/zinc/83/71/86/1424837186.db2.gz SFXHRQMUMSIXON-UHFFFAOYSA-N 0 0 378.432 3.138 20 30 GGEDRN N#Cc1ccc(OCc2ccc(C(=O)N3CCS[C@@H]4COCC[C@H]43)o2)cc1 ZINC000162317441 1424837223 /nfs/dbraw/zinc/83/72/23/1424837223.db2.gz CMLSNPVKFPQGDS-IEBWSBKVSA-N 0 0 384.457 3.077 20 30 GGEDRN C=C(C)COCCNC(=O)c1ccc(F)cc1NC(=O)c1ccc(OC)cc1 ZINC000162318680 1424837404 /nfs/dbraw/zinc/83/74/04/1424837404.db2.gz BYWDXUBUIOODHF-UHFFFAOYSA-N 0 0 386.423 3.409 20 30 GGEDRN Cc1cccc(N(CCC(N)=O)CC(=O)N(CCC#N)c2cccc(Cl)c2)c1 ZINC000162322362 1424837890 /nfs/dbraw/zinc/83/78/90/1424837890.db2.gz FTIOQIVZPVDFBG-UHFFFAOYSA-N 0 0 398.894 3.277 20 30 GGEDRN CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000162334281 1424838783 /nfs/dbraw/zinc/83/87/83/1424838783.db2.gz HZSHVEKOXZNLFN-UHFFFAOYSA-N 0 0 395.843 3.430 20 30 GGEDRN Cc1cc(C)cc(-n2ccnc2SCC(=O)NC2(C#N)CCSCC2)c1 ZINC000162339775 1424839672 /nfs/dbraw/zinc/83/96/72/1424839672.db2.gz SSLDGDUJDTYNDI-UHFFFAOYSA-N 0 0 386.546 3.487 20 30 GGEDRN Cc1ccc(-n2nc(C(=O)NC3(C#N)CCSCC3)c3c2CCC3)c(F)c1 ZINC000162366729 1424842649 /nfs/dbraw/zinc/84/26/49/1424842649.db2.gz GEPGRVDCQKJJJM-UHFFFAOYSA-N 0 0 384.480 3.328 20 30 GGEDRN C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@@H](O)c1ccc(F)cc1 ZINC000162383482 1424844448 /nfs/dbraw/zinc/84/44/48/1424844448.db2.gz CKMUNPBBCFNWHK-OPAMFIHVSA-N 0 0 397.450 3.091 20 30 GGEDRN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000162383660 1424844597 /nfs/dbraw/zinc/84/45/97/1424844597.db2.gz JBAHFSDELYXTMB-NSHDSACASA-N 0 0 391.349 3.164 20 30 GGEDRN N#CC1(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)CCSCC1 ZINC000162402357 1424847146 /nfs/dbraw/zinc/84/71/46/1424847146.db2.gz ORANTPRTGOSXBY-UHFFFAOYSA-N 0 0 385.514 3.197 20 30 GGEDRN CCc1ccc(-n2nc(C(=O)NC3(C#N)CCSCC3)c3c2CCC3)cc1 ZINC000162406206 1424847253 /nfs/dbraw/zinc/84/72/53/1424847253.db2.gz ZYXQFWGASJWEBV-UHFFFAOYSA-N 0 0 380.517 3.443 20 30 GGEDRN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2[C@@H](CO)CCC[C@@H]2C)c1C#N ZINC000162416416 1424848988 /nfs/dbraw/zinc/84/89/88/1424848988.db2.gz KSMUDDXMAKPNMW-OXJNMPFZSA-N 0 0 394.519 3.199 20 30 GGEDRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC3(C#N)CCSCC3)c12 ZINC000162418684 1424849061 /nfs/dbraw/zinc/84/90/61/1424849061.db2.gz RUUWMFUSGYFNNN-UHFFFAOYSA-N 0 0 391.500 3.463 20 30 GGEDRN CCCCN1CCc2ccc(NC(=O)C(=O)N(C)Cc3cccc(C#N)c3)cc21 ZINC000162442500 1424852065 /nfs/dbraw/zinc/85/20/65/1424852065.db2.gz USHMJOQWOZOEOT-UHFFFAOYSA-N 0 0 390.487 3.318 20 30 GGEDRN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cccc(-c2nnc(C)o2)c1 ZINC000162448704 1424853561 /nfs/dbraw/zinc/85/35/61/1424853561.db2.gz NQTZJRXBSZBNGK-MRXNPFEDSA-N 0 0 390.399 3.405 20 30 GGEDRN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCc1nnc(C2CCCC2)o1 ZINC000162449610 1424853568 /nfs/dbraw/zinc/85/35/68/1424853568.db2.gz KZWBPMOUFAAMRQ-HNNXBMFYSA-N 0 0 396.447 3.406 20 30 GGEDRN COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cccc(-c2nnc(C)o2)c1 ZINC000162458067 1424854712 /nfs/dbraw/zinc/85/47/12/1424854712.db2.gz BGFFKBCVYMZEBJ-OAHLLOKOSA-N 0 0 376.372 3.015 20 30 GGEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nnc(C3CCCC3)o2)cc1 ZINC000162486273 1424857799 /nfs/dbraw/zinc/85/77/99/1424857799.db2.gz OTZMWJWAYXFUBF-MRXNPFEDSA-N 0 0 382.420 3.016 20 30 GGEDRN COc1cc([C@@H](C#N)NC(=O)[C@H](C)c2c(F)cccc2F)cc(OC)c1OC ZINC000162502188 1424859768 /nfs/dbraw/zinc/85/97/68/1424859768.db2.gz SXUKNPURHNAYFG-IAQYHMDHSA-N 0 0 390.386 3.475 20 30 GGEDRN CC[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccc(C)cc1 ZINC000162522549 1424861859 /nfs/dbraw/zinc/86/18/59/1424861859.db2.gz BOEYTUAWIABPDX-FUHWJXTLSA-N 0 0 378.480 3.028 20 30 GGEDRN CC(C)C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccccc1 ZINC000162550036 1424865224 /nfs/dbraw/zinc/86/52/24/1424865224.db2.gz DEPSHEUEIXIBPD-MJGOQNOKSA-N 0 0 392.507 3.356 20 30 GGEDRN Cc1cc(C(=O)N2CCN(c3ccccc3C#N)CC2)nn1-c1ccc(F)cc1 ZINC000180146722 1429759708 /nfs/dbraw/zinc/75/97/08/1429759708.db2.gz WZZDFTUATZJIIB-UHFFFAOYSA-N 0 0 389.434 3.154 20 30 GGEDRN COCc1ccc([C@@H]2CCCN2S(=O)(=O)c2c(F)cc(C#N)cc2F)o1 ZINC000162564049 1424866522 /nfs/dbraw/zinc/86/65/22/1424866522.db2.gz WCYSJOMNTHRPTB-HNNXBMFYSA-N 0 0 382.388 3.102 20 30 GGEDRN COCc1ccc([C@H]2CCCN2S(=O)(=O)c2c(F)cc(C#N)cc2F)o1 ZINC000162564164 1424866694 /nfs/dbraw/zinc/86/66/94/1424866694.db2.gz WCYSJOMNTHRPTB-OAHLLOKOSA-N 0 0 382.388 3.102 20 30 GGEDRN CNS(=O)(=O)c1cccc(C(=O)/C=C/c2ccc(OC(F)F)c(F)c2)c1 ZINC000162572477 1424867623 /nfs/dbraw/zinc/86/76/23/1424867623.db2.gz BRQUYFQIJZWYJE-FNORWQNLSA-N 0 0 385.363 3.231 20 30 GGEDRN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)[C@@H](C)OC2CCCCCC2)cc1 ZINC000162609329 1424871236 /nfs/dbraw/zinc/87/12/36/1424871236.db2.gz PASBZGMPNMKOKC-UZLBHIALSA-N 0 0 386.492 3.191 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Nc2cnn(C)c2)c1 ZINC000162654423 1424875704 /nfs/dbraw/zinc/87/57/04/1424875704.db2.gz NWULPJMDTXOMNB-UHFFFAOYSA-N 0 0 389.459 3.324 20 30 GGEDRN CC(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)n1 ZINC000162674616 1424878460 /nfs/dbraw/zinc/87/84/60/1424878460.db2.gz KVKHYOWJLFJIPS-MOPGFXCFSA-N 0 0 393.491 3.166 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)c1ccc(C(=O)NC(C)C)cc1 ZINC000162703082 1424882892 /nfs/dbraw/zinc/88/28/92/1424882892.db2.gz WUZXQOVTKKKASN-UHFFFAOYSA-N 0 0 375.432 3.318 20 30 GGEDRN C=CCNS(=O)(=O)c1cc(C(=O)Nc2nccc3sccc32)ccc1F ZINC000162718202 1424884551 /nfs/dbraw/zinc/88/45/51/1424884551.db2.gz XLRZSFSUGZOFLA-UHFFFAOYSA-N 0 0 391.449 3.152 20 30 GGEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1noc(-c2ccccc2)n1 ZINC000180148457 1429761288 /nfs/dbraw/zinc/76/12/88/1429761288.db2.gz ZPIAQKYANQGSDS-NSHDSACASA-N 0 0 388.836 3.301 20 30 GGEDRN N#CC1(NC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)CCSCC1 ZINC000162748293 1424887410 /nfs/dbraw/zinc/88/74/10/1424887410.db2.gz QWAZMGNGPJOPNB-UHFFFAOYSA-N 0 0 380.395 3.410 20 30 GGEDRN N#CC1(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CCSCC1 ZINC000162757841 1424888280 /nfs/dbraw/zinc/88/82/80/1424888280.db2.gz XUVQMBUYEWRMKQ-HNNXBMFYSA-N 0 0 391.924 3.098 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000162772855 1424889278 /nfs/dbraw/zinc/88/92/78/1424889278.db2.gz MQAHHKFOIBFPNU-HNNXBMFYSA-N 0 0 380.510 3.289 20 30 GGEDRN C[C@@H](OC(=O)c1cc(I)cc([N+](=O)[O-])c1)C(C)(C)C#N ZINC000162800607 1424891449 /nfs/dbraw/zinc/89/14/49/1424891449.db2.gz PZJKPSLEQUOOCI-MRVPVSSYSA-N 0 0 388.161 3.294 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2cnn(CC(C)C)c2C)ccc1OC ZINC000162801036 1424891530 /nfs/dbraw/zinc/89/15/30/1424891530.db2.gz ACMBZVLHXORUJI-QGZVFWFLSA-N 0 0 384.480 3.467 20 30 GGEDRN CCCCn1ncc(NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)c1C ZINC000162829873 1424894276 /nfs/dbraw/zinc/89/42/76/1424894276.db2.gz KJZZMEWOQFWHTP-GOSISDBHSA-N 0 0 380.496 3.422 20 30 GGEDRN CCCCn1ncc(NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)c1C ZINC000162830003 1424894332 /nfs/dbraw/zinc/89/43/32/1424894332.db2.gz KJZZMEWOQFWHTP-SFHVURJKSA-N 0 0 380.496 3.422 20 30 GGEDRN C#Cc1cccc(N(CC)C(=O)CCC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000162877576 1424898614 /nfs/dbraw/zinc/89/86/14/1424898614.db2.gz CWPLKZPILQQKPF-UHFFFAOYSA-N 0 0 389.499 3.150 20 30 GGEDRN N#Cc1cccc(-c2csc(NC(=O)C(=O)NCCc3ccccc3F)n2)c1 ZINC000162915806 1424905675 /nfs/dbraw/zinc/90/56/75/1424905675.db2.gz CUBIVDPEHCXUJH-UHFFFAOYSA-N 0 0 394.431 3.118 20 30 GGEDRN N#CCOc1cc(F)ccc1NC(=O)C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000162929007 1424908370 /nfs/dbraw/zinc/90/83/70/1424908370.db2.gz XSAVANLEJJBGGT-UHFFFAOYSA-N 0 0 399.397 3.044 20 30 GGEDRN C=CCOc1cc(OC)ccc1C(=O)NCc1ccccc1N1CCOCC1 ZINC000162987300 1424918849 /nfs/dbraw/zinc/91/88/49/1424918849.db2.gz FFCHJTJINZXNPL-UHFFFAOYSA-N 0 0 382.460 3.027 20 30 GGEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCc2cccc(F)c2C1 ZINC000162990924 1424919208 /nfs/dbraw/zinc/91/92/08/1424919208.db2.gz PNYIZVNMHNDWTJ-UHFFFAOYSA-N 0 0 384.354 3.463 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCc3cccc(F)c3C2)c(C(F)(F)F)c1 ZINC000162994357 1424920361 /nfs/dbraw/zinc/92/03/61/1424920361.db2.gz YSMZUCCYCGXFAM-UHFFFAOYSA-N 0 0 384.354 3.463 20 30 GGEDRN C=CCn1c(=S)n(CN2CCO[C@@H]([C@@H]3CCCO3)C2)nc1-c1cccs1 ZINC000163032113 1424927089 /nfs/dbraw/zinc/92/70/89/1424927089.db2.gz GPXVZSITWXTDEC-LSDHHAIUSA-N 0 0 392.550 3.166 20 30 GGEDRN N#Cc1ccccc1COc1cccc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000163038609 1424928506 /nfs/dbraw/zinc/92/85/06/1424928506.db2.gz ZGPKOMAVTRGXFG-LEWJYISDSA-N 0 0 394.496 3.484 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1noc(-c2ccccc2)n1 ZINC000163064060 1424934441 /nfs/dbraw/zinc/93/44/41/1424934441.db2.gz VLGCJYKVVKUTPD-NSHDSACASA-N 0 0 395.806 3.078 20 30 GGEDRN C=CCN(C)C(=O)NCCc1ccc(OCC(=O)Nc2cccc(C)c2)cc1 ZINC000163073442 1424935047 /nfs/dbraw/zinc/93/50/47/1424935047.db2.gz BOTCWNBVXVQODK-UHFFFAOYSA-N 0 0 381.476 3.382 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000163114287 1424943426 /nfs/dbraw/zinc/94/34/26/1424943426.db2.gz OTWKZHQEPDFTTB-INIZCTEOSA-N 0 0 376.428 3.231 20 30 GGEDRN C=CCOc1ccccc1CNC(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000163158207 1424950775 /nfs/dbraw/zinc/95/07/75/1424950775.db2.gz LDDVBXFHWGROTK-KRWDZBQOSA-N 0 0 381.480 3.336 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)Nc2cccc(CO)c2)nnc1-c1ccco1 ZINC000163190608 1424955998 /nfs/dbraw/zinc/95/59/98/1424955998.db2.gz ODQCYONVPJPKSO-UHFFFAOYSA-N 0 0 384.461 3.337 20 30 GGEDRN C=CCn1c(S[C@H](C)C(=O)c2ccc3c(c2)CC(=O)N3C)nnc1C1CC1 ZINC000163237080 1424964328 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CCN(CC(=O)Nc1c(C)cccc1C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000163332322 1424980340 /nfs/dbraw/zinc/98/03/40/1424980340.db2.gz RQLGLGMVINOJHN-QGZVFWFLSA-N 0 0 378.476 3.463 20 30 GGEDRN CCN(CC(=O)Nc1c(C)cccc1C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000163342613 1424982463 /nfs/dbraw/zinc/98/24/63/1424982463.db2.gz RDUBWMJXIMMBRA-QGZVFWFLSA-N 0 0 396.516 3.303 20 30 GGEDRN CCN(CC(=O)Nc1c(C)cccc1C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000163355732 1424984864 /nfs/dbraw/zinc/98/48/64/1424984864.db2.gz VIZWHUHIFYAJEB-HXUWFJFHSA-N 0 0 390.487 3.241 20 30 GGEDRN CCN(CC(=O)Nc1c(C)cccc1C)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000163390049 1424989856 /nfs/dbraw/zinc/98/98/56/1424989856.db2.gz HAFPWDZNOVDFRU-OAQYLSRUSA-N 0 0 379.460 3.350 20 30 GGEDRN C[C@H](c1cccnc1)N1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180156026 1429768480 /nfs/dbraw/zinc/76/84/80/1429768480.db2.gz SWXBPQIDULSXKD-GOSISDBHSA-N 0 0 386.503 3.233 20 30 GGEDRN C=CCn1c(SCC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)n[nH]c1=O ZINC000163420765 1424995502 /nfs/dbraw/zinc/99/55/02/1424995502.db2.gz QHZHUUJXCWWVTN-HNNXBMFYSA-N 0 0 392.500 3.282 20 30 GGEDRN C=CCn1c(=O)[nH]nc1SCc1csc(-c2ccc(OC)cc2OC)n1 ZINC000163428568 1424996558 /nfs/dbraw/zinc/99/65/58/1424996558.db2.gz FELAZICEKYCWSU-UHFFFAOYSA-N 0 0 390.490 3.190 20 30 GGEDRN Cc1ccc(F)c([C@@H](C)OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 ZINC000163482747 1425006678 /nfs/dbraw/zinc/00/66/78/1425006678.db2.gz BEZHVGAMOXHDHM-CQSZACIVSA-N 0 0 390.436 3.244 20 30 GGEDRN CC(=O)N[C@H](CC(=O)N[C@@H](C#N)c1ccccc1F)c1ccc(F)cc1F ZINC000163516101 1425010950 /nfs/dbraw/zinc/01/09/50/1425010950.db2.gz YSGUNOYAOAACGY-MSOLQXFVSA-N 0 0 375.350 3.052 20 30 GGEDRN CCc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C#N)c3ccccc3F)CC2)o1 ZINC000163517445 1425011097 /nfs/dbraw/zinc/01/10/97/1425011097.db2.gz RRPYHWCDKWKBHY-SFHVURJKSA-N 0 0 383.423 3.214 20 30 GGEDRN C=CCn1c(SC[C@H](O)COc2ccc(C)cc2C)nnc1-c1cnccn1 ZINC000163556190 1425017586 /nfs/dbraw/zinc/01/75/86/1425017586.db2.gz QMGHBADDISSAQP-MRXNPFEDSA-N 0 0 397.504 3.070 20 30 GGEDRN C=CCn1c(SC[C@@H](O)COc2c(C)cccc2C)nnc1-c1cnccn1 ZINC000163555837 1425017632 /nfs/dbraw/zinc/01/76/32/1425017632.db2.gz BDZCNMPMAPOYGH-INIZCTEOSA-N 0 0 397.504 3.070 20 30 GGEDRN C=CCn1c(SCCC(=O)Nc2ccccc2C)nnc1-c1cnccn1 ZINC000163559045 1425017757 /nfs/dbraw/zinc/01/77/57/1425017757.db2.gz RJVPFXLNLNSEPB-UHFFFAOYSA-N 0 0 380.477 3.350 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)Nc2cccc3c2CCCC3)cc1 ZINC000163586834 1425021726 /nfs/dbraw/zinc/02/17/26/1425021726.db2.gz VVPMJYIYSWQUFN-UHFFFAOYSA-N 0 0 392.459 3.450 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)NCc2scnc2C)nnc1-c1ccco1 ZINC000163601825 1425023578 /nfs/dbraw/zinc/02/35/78/1425023578.db2.gz DWJPQVFEPBAWGS-UHFFFAOYSA-N 0 0 389.506 3.288 20 30 GGEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(C(=O)NC(C)C)cc2)c1 ZINC000163618643 1425025176 /nfs/dbraw/zinc/02/51/76/1425025176.db2.gz VAMKDBZPKFENDJ-LJQANCHMSA-N 0 0 379.460 3.436 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163644113 1425028391 /nfs/dbraw/zinc/02/83/91/1425028391.db2.gz SPGKCZBYJRGCFT-UHFFFAOYSA-N 0 0 391.836 3.473 20 30 GGEDRN C=CCc1ccccc1OC[C@H](O)CSc1nnc(-c2cnccn2)n1CC ZINC000163644521 1425028692 /nfs/dbraw/zinc/02/86/92/1425028692.db2.gz HEOREFIELYGENI-INIZCTEOSA-N 0 0 397.504 3.016 20 30 GGEDRN C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)n[nH]c1=O ZINC000163664725 1425030857 /nfs/dbraw/zinc/03/08/57/1425030857.db2.gz BRHVMJBIWVDWRV-LBPRGKRZSA-N 0 0 388.493 3.106 20 30 GGEDRN CN(Cc1cccc(F)c1)C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000163701221 1425035269 /nfs/dbraw/zinc/03/52/69/1425035269.db2.gz UVFDBRXCCYQWHM-UHFFFAOYSA-N 0 0 394.431 3.418 20 30 GGEDRN C=CCn1c(=O)[nH]nc1SCc1cc(=O)oc2cc(CC)c(Cl)cc12 ZINC000163717096 1425037778 /nfs/dbraw/zinc/03/77/78/1425037778.db2.gz DRIRVBNZUCJONV-UHFFFAOYSA-N 0 0 377.853 3.372 20 30 GGEDRN CC[C@@H]1c2ccccc2CCN1C(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000163733337 1425039042 /nfs/dbraw/zinc/03/90/42/1425039042.db2.gz KYGJRRJUGOKLCR-GOSISDBHSA-N 0 0 381.407 3.203 20 30 GGEDRN Cc1cc(NC(=O)C(=O)N(CCC#N)Cc2cccnc2)ccc1C(F)(F)F ZINC000163734549 1425039635 /nfs/dbraw/zinc/03/96/35/1425039635.db2.gz SHHXOFJROCTMGR-UHFFFAOYSA-N 0 0 390.365 3.290 20 30 GGEDRN N#CCCN(Cc1cccnc1)C(=O)C(=O)Nc1ccccc1OC1CCCC1 ZINC000163734028 1425039704 /nfs/dbraw/zinc/03/97/04/1425039704.db2.gz ZFLIDDCDYJROSI-UHFFFAOYSA-N 0 0 392.459 3.284 20 30 GGEDRN CCCOc1ccc(NC(=O)C(=O)N(CCC#N)Cc2cccnc2)c(C)c1 ZINC000163744201 1425040388 /nfs/dbraw/zinc/04/03/88/1425040388.db2.gz QCMOGWRJDQALQA-UHFFFAOYSA-N 0 0 380.448 3.060 20 30 GGEDRN CC(C)(C)Oc1ccccc1NC(=O)C(=O)N(CCC#N)Cc1cccnc1 ZINC000163746809 1425040527 /nfs/dbraw/zinc/04/05/27/1425040527.db2.gz QKKRVLAUMDZRIK-UHFFFAOYSA-N 0 0 380.448 3.140 20 30 GGEDRN CCCCN(C)c1ccc(NC(=O)C(=O)N(CCC#N)Cc2cccnc2)cc1 ZINC000163747471 1425040702 /nfs/dbraw/zinc/04/07/02/1425040702.db2.gz IKFINXBCICUQDY-UHFFFAOYSA-N 0 0 393.491 3.199 20 30 GGEDRN CC[C@H](C)Oc1ccc(NC(=O)C(=O)N(CCC#N)Cc2cccnc2)cc1 ZINC000163757917 1425041064 /nfs/dbraw/zinc/04/10/64/1425041064.db2.gz ZIKCKGRHYATJFI-INIZCTEOSA-N 0 0 380.448 3.140 20 30 GGEDRN CC(C)(C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000163770994 1425042696 /nfs/dbraw/zinc/04/26/96/1425042696.db2.gz OHTUBEHAOVYSAV-CQSZACIVSA-N 0 0 375.444 3.341 20 30 GGEDRN C=CCn1c(S[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)n[nH]c1=O ZINC000163777889 1425043285 /nfs/dbraw/zinc/04/32/85/1425043285.db2.gz UXUZTRJVNWHHMI-HNNXBMFYSA-N 0 0 394.500 3.144 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000163818992 1425047481 /nfs/dbraw/zinc/04/74/81/1425047481.db2.gz BJPXGMBRHLFSNK-GOSISDBHSA-N 0 0 388.464 3.066 20 30 GGEDRN C=CCn1c(SC[C@H](O)COCc2ccccc2)nnc1-c1ccccn1 ZINC000163853153 1425050791 /nfs/dbraw/zinc/05/07/91/1425050791.db2.gz HDVVYBPCZMRHPT-QGZVFWFLSA-N 0 0 382.489 3.196 20 30 GGEDRN C[C@H](c1ccncc1)N(C)C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000163851524 1425051209 /nfs/dbraw/zinc/05/12/09/1425051209.db2.gz VCHLSKUDOWCYMD-CYBMUJFWSA-N 0 0 391.456 3.235 20 30 GGEDRN C=CCn1c(SC[C@H](O)COc2ccc(F)cc2)nnc1-c1ccccn1 ZINC000163861950 1425051542 /nfs/dbraw/zinc/05/15/42/1425051542.db2.gz OPODDGHXZZCXCT-OAHLLOKOSA-N 0 0 386.452 3.197 20 30 GGEDRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)n1ccc(C)c(C#N)c1=O ZINC000163866664 1425052106 /nfs/dbraw/zinc/05/21/06/1425052106.db2.gz FNDOXRCKVNZMGJ-GFCCVEGCSA-N 0 0 387.461 3.029 20 30 GGEDRN N#Cc1cccc(-c2csc(NC(=O)C(=O)NCCCOC3CCCC3)n2)c1 ZINC000163868846 1425052132 /nfs/dbraw/zinc/05/21/32/1425052132.db2.gz ZWRHUSKZKNTVSY-UHFFFAOYSA-N 0 0 398.488 3.086 20 30 GGEDRN CCCN(CC(F)F)C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000163876698 1425052960 /nfs/dbraw/zinc/05/29/60/1425052960.db2.gz BEPYJIUFNIPXKZ-UHFFFAOYSA-N 0 0 378.404 3.124 20 30 GGEDRN C[N@H+](Cc1ccccc1)CC(C)(C)C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821614775 1425053173 /nfs/dbraw/zinc/05/31/73/1425053173.db2.gz UTMWPDDLRCCVKM-UHFFFAOYSA-N 0 0 377.496 3.100 20 30 GGEDRN CC(C)(C#N)COC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000180161585 1429772983 /nfs/dbraw/zinc/77/29/83/1429772983.db2.gz IDQTTYAHNZLKNL-UHFFFAOYSA-N 0 0 391.518 3.190 20 30 GGEDRN C[C@H](CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[S@](C)=O ZINC000163910020 1425057161 /nfs/dbraw/zinc/05/71/61/1425057161.db2.gz RYCNVFSTGYXELT-GMYLUUGSSA-N 0 0 398.488 3.089 20 30 GGEDRN CN(C)C(=O)CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1 ZINC000164012648 1425068899 /nfs/dbraw/zinc/06/88/99/1425068899.db2.gz DLUJIRSANGPZPD-UHFFFAOYSA-N 0 0 398.894 3.181 20 30 GGEDRN C[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)c1nc(C2CCCCC2)no1 ZINC000164020942 1425069662 /nfs/dbraw/zinc/06/96/62/1425069662.db2.gz MEPGPMDZXIOOJH-LBPRGKRZSA-N 0 0 392.456 3.309 20 30 GGEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000164051280 1425072336 /nfs/dbraw/zinc/07/23/36/1425072336.db2.gz SBZFYRIJNNGLAI-AZUAARDMSA-N 0 0 399.472 3.239 20 30 GGEDRN C=CCn1c(COc2ccccc2F)nn(CN2CCO[C@H](C)[C@@H]2C)c1=S ZINC000164092640 1425076306 /nfs/dbraw/zinc/07/63/06/1425076306.db2.gz DBRJYEFJXDDAKJ-LSDHHAIUSA-N 0 0 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395.594 3.153 20 30 GGEDRN C#CCNC(=O)c1ccccc1NC(=O)c1ccc(F)c(Br)c1 ZINC000173861127 1426873567 /nfs/dbraw/zinc/87/35/67/1426873567.db2.gz NCYRLYRGHKZHCV-UHFFFAOYSA-N 0 0 375.197 3.204 20 30 GGEDRN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000173882685 1426880609 /nfs/dbraw/zinc/88/06/09/1426880609.db2.gz IDXDPBMKBHKQHE-UHFFFAOYSA-N 0 0 391.475 3.251 20 30 GGEDRN N#Cc1ccc(N2CCN(Cn3nc(C4CC4)sc3=S)CC2)c(F)c1 ZINC000173890535 1426882947 /nfs/dbraw/zinc/88/29/47/1426882947.db2.gz LONSGASDPZHJCR-UHFFFAOYSA-N 0 0 375.498 3.342 20 30 GGEDRN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000173900383 1426885043 /nfs/dbraw/zinc/88/50/43/1426885043.db2.gz CUSMJXLOSAAHQD-ZDUSSCGKSA-N 0 0 393.834 3.246 20 30 GGEDRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc1 ZINC000173901873 1426885544 /nfs/dbraw/zinc/88/55/44/1426885544.db2.gz ZWHUEEBDMLTLFT-YLJYHZDGSA-N 0 0 386.455 3.249 20 30 GGEDRN CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc2ccccc2n1C)c1ccc(F)cc1F ZINC000173902394 1426885864 /nfs/dbraw/zinc/88/58/64/1426885864.db2.gz SMJCDTGBUITIQB-MAUKXSAKSA-N 0 0 396.397 3.295 20 30 GGEDRN CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C)c1ccc(F)cc1F ZINC000173902367 1426885966 /nfs/dbraw/zinc/88/59/66/1426885966.db2.gz SMJCDTGBUITIQB-CRAIPNDOSA-N 0 0 396.397 3.295 20 30 GGEDRN CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)c1ccc(F)cc1F ZINC000173904950 1426886633 /nfs/dbraw/zinc/88/66/33/1426886633.db2.gz ZDUDYUNBZDIOCT-RDTXWAMCSA-N 0 0 382.370 3.285 20 30 GGEDRN C=CCn1c(-c2cccc(C)c2)nn(CN2CCC(CC(=O)NC)CC2)c1=S ZINC000173907456 1426887669 /nfs/dbraw/zinc/88/76/69/1426887669.db2.gz YTKKWYMODVHJFX-UHFFFAOYSA-N 0 0 399.564 3.381 20 30 GGEDRN N#C[C@@H](C(=O)CCC1CCOCC1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000173916559 1426890833 /nfs/dbraw/zinc/89/08/33/1426890833.db2.gz ZAINSVVSKGHMAQ-AWEZNQCLSA-N 0 0 385.489 3.246 20 30 GGEDRN C[C@@H]1CC[C@@H](CCC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)O1 ZINC000173916454 1426890848 /nfs/dbraw/zinc/89/08/48/1426890848.db2.gz FPGKWOMOEDARSB-MBNYWOFBSA-N 0 0 385.489 3.387 20 30 GGEDRN COc1cc(N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)ccc1NC(C)=O ZINC000173932010 1426897876 /nfs/dbraw/zinc/89/78/76/1426897876.db2.gz WPZQIHXWNBGLCT-HNNXBMFYSA-N 0 0 380.448 3.401 20 30 GGEDRN C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC000173935975 1426898668 /nfs/dbraw/zinc/89/86/68/1426898668.db2.gz PDJBPGYZMXZOCH-UWJYYQICSA-N 0 0 396.512 3.125 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)Oc1ccc(C)cc1 ZINC000173936390 1426898824 /nfs/dbraw/zinc/89/88/24/1426898824.db2.gz AMIWTQUYOVNHCM-SFHVURJKSA-N 0 0 381.476 3.492 20 30 GGEDRN C[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC000173935964 1426898917 /nfs/dbraw/zinc/89/89/17/1426898917.db2.gz PDJBPGYZMXZOCH-UTKZUKDTSA-N 0 0 396.512 3.125 20 30 GGEDRN CC(C)OCCCNC(=O)C(C#N)=C(O)C=Cc1cnc(C(C)(C)C)s1 ZINC000173940455 1426900730 /nfs/dbraw/zinc/90/07/30/1426900730.db2.gz GKKNPKCUYCAAGR-MVGZEHJDSA-N 0 0 377.510 3.094 20 30 GGEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1nnc(C2CC2)s1 ZINC000173942555 1426902497 /nfs/dbraw/zinc/90/24/97/1426902497.db2.gz GYWXMCQLWYZNAC-UHFFFAOYSA-N 0 0 382.474 3.204 20 30 GGEDRN Cc1cc(-n2cncn2)ccc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000173953794 1426907351 /nfs/dbraw/zinc/90/73/51/1426907351.db2.gz SRLDDGGIMLVQEV-QGZVFWFLSA-N 0 0 379.807 3.190 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)c3cc4ccccn4c3)c(C#N)c2N)cc1 ZINC000173961029 1426911233 /nfs/dbraw/zinc/91/12/33/1426911233.db2.gz LHHHLESAPOPJNW-UHFFFAOYSA-N 0 0 398.470 3.250 20 30 GGEDRN Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)c1 ZINC000173962747 1426912765 /nfs/dbraw/zinc/91/27/65/1426912765.db2.gz ZOLYWAWHJNHEMC-OAHLLOKOSA-N 0 0 396.834 3.139 20 30 GGEDRN COCCOCc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)ccc1F ZINC000173963868 1426912932 /nfs/dbraw/zinc/91/29/32/1426912932.db2.gz GVVQJSGKKAOYPG-SFHVURJKSA-N 0 0 384.407 3.258 20 30 GGEDRN CC(C)=CC(=O)NCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)cc1 ZINC000173965357 1426913582 /nfs/dbraw/zinc/91/35/82/1426913582.db2.gz DEOZQTCVXLWTBM-LJQANCHMSA-N 0 0 375.428 3.230 20 30 GGEDRN CC(=O)N[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1cccc(C)c1)c1ccc(F)cc1F ZINC000173964683 1426913770 /nfs/dbraw/zinc/91/37/70/1426913770.db2.gz XZCIUMSAEXKHPQ-HKUYNNGSSA-N 0 0 399.397 3.188 20 30 GGEDRN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)Cc2ccc(NC(=O)C3CC3)cc2)c1 ZINC000173964532 1426913794 /nfs/dbraw/zinc/91/37/94/1426913794.db2.gz LCAKXDPSMIBVCV-IBGZPJMESA-N 0 0 375.428 3.234 20 30 GGEDRN CC(C)(C)CNC(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)cc1 ZINC000173966758 1426914640 /nfs/dbraw/zinc/91/46/40/1426914640.db2.gz MVAXKAJTYVDEHM-GOSISDBHSA-N 0 0 377.444 3.424 20 30 GGEDRN COc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@@H](C)CCOc2ccccc2)cc1 ZINC000173968863 1426914660 /nfs/dbraw/zinc/91/46/60/1426914660.db2.gz NVZBMEYSJCGRJR-OXJNMPFZSA-N 0 0 380.444 3.125 20 30 GGEDRN CC(C)(C)CNC(=O)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)cc1 ZINC000173966770 1426914686 /nfs/dbraw/zinc/91/46/86/1426914686.db2.gz MVAXKAJTYVDEHM-SFHVURJKSA-N 0 0 377.444 3.424 20 30 GGEDRN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)[C@@H](C)c2cccc(F)c2)cc1OC ZINC000173971457 1426916445 /nfs/dbraw/zinc/91/64/45/1426916445.db2.gz IZVTZJZPWWKAJJ-KSSFIOAISA-N 0 0 398.434 3.014 20 30 GGEDRN CC(C)CC(=O)NCCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000173976736 1426920860 /nfs/dbraw/zinc/92/08/60/1426920860.db2.gz XAKWMVACQMPPHQ-GFCCVEGCSA-N 0 0 384.263 3.193 20 30 GGEDRN CCOc1ccc(N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1CO ZINC000173980147 1426923659 /nfs/dbraw/zinc/92/36/59/1426923659.db2.gz LIRDLMPVNDNDMG-HNNXBMFYSA-N 0 0 385.439 3.464 20 30 GGEDRN CC(C)CC(=O)NCCC(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000173981423 1426924507 /nfs/dbraw/zinc/92/45/07/1426924507.db2.gz GWJRNBBNTTULSB-CQSZACIVSA-N 0 0 384.263 3.193 20 30 GGEDRN COc1ccc(CNC(=O)C(C#N)=C(O)C=Cc2cnc(C(C)(C)C)s2)cc1 ZINC000173995661 1426932625 /nfs/dbraw/zinc/93/26/25/1426932625.db2.gz ANXIYVZGGSRWKM-OAGJVSPASA-N 0 0 397.500 3.488 20 30 GGEDRN COc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cc1 ZINC000173995552 1426932665 /nfs/dbraw/zinc/93/26/65/1426932665.db2.gz YXLZWXREYJLUFJ-NHCICSSKSA-N 0 0 388.467 3.314 20 30 GGEDRN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)[C@H](C)CCc2ccccc2F)cc1 ZINC000173995344 1426932858 /nfs/dbraw/zinc/93/28/58/1426932858.db2.gz FSHLJGSFOCDWBR-UZLBHIALSA-N 0 0 396.462 3.471 20 30 GGEDRN COc1ccc(CNC(=O)[C@@H](C#N)C(=O)[C@H](C)CCc2ccccc2F)cc1 ZINC000173996406 1426933526 /nfs/dbraw/zinc/93/35/26/1426933526.db2.gz NXPFTBACZXTRHF-BEFAXECRSA-N 0 0 382.435 3.428 20 30 GGEDRN C=CCNC(=O)c1ccc(N[C@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)nc1 ZINC000173996916 1426933549 /nfs/dbraw/zinc/93/35/49/1426933549.db2.gz IJOAOAQPIXCXPS-DYVFJYSZSA-N 0 0 380.448 3.280 20 30 GGEDRN COc1cc(C#N)ccc1OCc1nnc(C(=O)NCc2ccc(C)cc2)s1 ZINC000174001166 1426935365 /nfs/dbraw/zinc/93/53/65/1426935365.db2.gz JUGORAYIFQEHFB-UHFFFAOYSA-N 0 0 394.456 3.236 20 30 GGEDRN CO[C@@H](C)C(=O)Nc1cccc(N[C@H](C)C(=O)N(CCC#N)c2ccccc2)c1 ZINC000174007132 1426939608 /nfs/dbraw/zinc/93/96/08/1426939608.db2.gz QBNHINBYQQATEA-SJORKVTESA-N 0 0 394.475 3.407 20 30 GGEDRN CO[C@H](C)C(=O)Nc1cccc(N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)c1 ZINC000174007095 1426939961 /nfs/dbraw/zinc/93/99/61/1426939961.db2.gz QBNHINBYQQATEA-DLBZAZTESA-N 0 0 394.475 3.407 20 30 GGEDRN COc1ccc(Cl)cc1NCCC(=O)[C@H](C#N)c1nnc2n1CCCCC2 ZINC000174009238 1426940398 /nfs/dbraw/zinc/94/03/98/1426940398.db2.gz CHTQJZXWFIVERC-AWEZNQCLSA-N 0 0 387.871 3.345 20 30 GGEDRN CC(C)(C)CNC(=O)c1ccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1 ZINC000174009583 1426941472 /nfs/dbraw/zinc/94/14/72/1426941472.db2.gz ZNLIXXJTRDOHLU-KRWDZBQOSA-N 0 0 393.491 3.270 20 30 GGEDRN CC(C)(C)C(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1 ZINC000174010302 1426941738 /nfs/dbraw/zinc/94/17/38/1426941738.db2.gz HYVABHMEMNMNED-QGZVFWFLSA-N 0 0 393.491 3.157 20 30 GGEDRN CC1CCN(c2nnc(SCCCSCC#N)n2C[C@@H]2CCCO2)CC1 ZINC000174012080 1426943450 /nfs/dbraw/zinc/94/34/50/1426943450.db2.gz ZJRQUFIUWHNQKM-INIZCTEOSA-N 0 0 395.598 3.432 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)Oc1ccc(F)cc1 ZINC000174012335 1426943546 /nfs/dbraw/zinc/94/35/46/1426943546.db2.gz GZDVVDDVANVBQM-MRXNPFEDSA-N 0 0 385.439 3.323 20 30 GGEDRN Cc1cccc(C2(CNC(=O)CCNC(=O)C3N=CC=CC3=O)CCCCC2)c1 ZINC000174014858 1426944023 /nfs/dbraw/zinc/94/40/23/1426944023.db2.gz ISCDHVTWQVVLSE-DQRAZIAOSA-N 0 0 395.503 3.230 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000174019930 1426947577 /nfs/dbraw/zinc/94/75/77/1426947577.db2.gz QQDVMCNKHMYBJF-UHFFFAOYSA-N 0 0 380.423 3.258 20 30 GGEDRN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)NCc2cc(C#N)ccc2F)C1 ZINC000174022167 1426949589 /nfs/dbraw/zinc/94/95/89/1426949589.db2.gz ALKNQSMOMDYHCP-QGZVFWFLSA-N 0 0 388.487 3.315 20 30 GGEDRN Cc1cc(C(=O)NC2CCN(C(=O)NCc3cc(C#N)ccc3F)CC2)c(C)o1 ZINC000174022523 1426949913 /nfs/dbraw/zinc/94/99/13/1426949913.db2.gz QKBPKOZDBFGKKX-UHFFFAOYSA-N 0 0 398.438 3.011 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](CC)Cc2ccccc2)c1 ZINC000174023020 1426950286 /nfs/dbraw/zinc/95/02/86/1426950286.db2.gz OUPNSNSCDFKODR-IBGZPJMESA-N 0 0 386.517 3.244 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c1 ZINC000174023449 1426950983 /nfs/dbraw/zinc/95/09/83/1426950983.db2.gz HEAFMTDENLSZKW-UHFFFAOYSA-N 0 0 392.887 3.440 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)c1 ZINC000174025759 1426951955 /nfs/dbraw/zinc/95/19/55/1426951955.db2.gz JZDZEYQLCOPRBG-HXUWFJFHSA-N 0 0 385.414 3.492 20 30 GGEDRN Cc1cc(C)c(NC(=O)CN(C)C(=O)NCc2cc(C#N)ccc2F)c(C)c1 ZINC000174025055 1426952042 /nfs/dbraw/zinc/95/20/42/1426952042.db2.gz QDUWGCIEJHTSLA-UHFFFAOYSA-N 0 0 382.439 3.403 20 30 GGEDRN Cn1ccnc1[C@H](NC(=O)NCc1cc(C#N)ccc1F)c1cccc(F)c1 ZINC000174026367 1426952524 /nfs/dbraw/zinc/95/25/24/1426952524.db2.gz IWDQSHMDQIRZSF-GOSISDBHSA-N 0 0 381.386 3.159 20 30 GGEDRN CCOc1ccccc1N1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000174028266 1426953314 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20 30 GGEDRN N#CCN1CCN(C(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)CC1 ZINC000174355485 1427117220 /nfs/dbraw/zinc/11/72/20/1427117220.db2.gz TWCYEVAMUXQIBA-IBGZPJMESA-N 0 0 387.455 3.466 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000174356951 1427117910 /nfs/dbraw/zinc/11/79/10/1427117910.db2.gz WEKCIKHEUHNLAM-HNNXBMFYSA-N 0 0 381.484 3.064 20 30 GGEDRN Cc1cc(C(=O)NC[C@H](C)CC2(C)OCCO2)c(C)n1-c1ccc(C#N)cc1 ZINC000174365005 1427121584 /nfs/dbraw/zinc/12/15/84/1427121584.db2.gz VDHOENIDWJYCLS-OAHLLOKOSA-N 0 0 381.476 3.485 20 30 GGEDRN C[C@@H]1C[C@@H]1[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000174378347 1427128492 /nfs/dbraw/zinc/12/84/92/1427128492.db2.gz NCHGKSLALZHOSB-ORPRQENYSA-N 0 0 381.863 3.455 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000174388358 1427132991 /nfs/dbraw/zinc/13/29/91/1427132991.db2.gz XKFJWKXMBXALQI-UXHICEINSA-N 0 0 381.480 3.097 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000174388402 1427133528 /nfs/dbraw/zinc/13/35/28/1427133528.db2.gz XKFJWKXMBXALQI-VQTJNVASSA-N 0 0 381.480 3.097 20 30 GGEDRN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cc(C#N)ccc1F ZINC000174394043 1427135967 /nfs/dbraw/zinc/13/59/67/1427135967.db2.gz ZFZNNKJYGVGSIH-SFHVURJKSA-N 0 0 387.842 3.422 20 30 GGEDRN Cc1ccc(NC(=O)CS[C@H](C)C(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000174394434 1427136188 /nfs/dbraw/zinc/13/61/88/1427136188.db2.gz UWIHCJMAIOMVTI-CQSZACIVSA-N 0 0 385.464 3.382 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1 ZINC000174395805 1427136493 /nfs/dbraw/zinc/13/64/93/1427136493.db2.gz RHYVSHQVOZCMHY-MRXNPFEDSA-N 0 0 392.459 3.098 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)COc2ccccc2OCC(F)(F)F)c1 ZINC000174396648 1427137502 /nfs/dbraw/zinc/13/75/02/1427137502.db2.gz OQHUNCOYYBJMIB-UHFFFAOYSA-N 0 0 382.313 3.334 20 30 GGEDRN CCOc1ccc(C(=O)N[C@@H](C(=O)NCc2cc(C#N)ccc2F)C(C)C)cc1 ZINC000174398903 1427138303 /nfs/dbraw/zinc/13/83/03/1427138303.db2.gz DKWKFTBSXBAGRS-HXUWFJFHSA-N 0 0 397.450 3.167 20 30 GGEDRN CC(C)C[C@@H](C(=O)NCc1cc(C#N)ccc1F)N1C(=O)c2ccccc2C1=O ZINC000174398841 1427138328 /nfs/dbraw/zinc/13/83/28/1427138328.db2.gz YSNKZMMKZJOSOA-IBGZPJMESA-N 0 0 393.418 3.024 20 30 GGEDRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCc1cc(C#N)ccc1F ZINC000174400971 1427140687 /nfs/dbraw/zinc/14/06/87/1427140687.db2.gz AHQUGXQWMBAFHF-LJQANCHMSA-N 0 0 395.434 3.017 20 30 GGEDRN CC(C)NC(=O)CSc1ccccc1C(=O)NCc1cc(C#N)ccc1F ZINC000174403802 1427141703 /nfs/dbraw/zinc/14/17/03/1427141703.db2.gz IQSPNKDTQWOLSF-UHFFFAOYSA-N 0 0 385.464 3.244 20 30 GGEDRN C[C@]1(C(=O)NCc2cc(C#N)ccc2F)CCCN(C(=O)c2ccccc2)C1 ZINC000174403025 1427142599 /nfs/dbraw/zinc/14/25/99/1427142599.db2.gz NFZXHASOLOXCDX-QFIPXVFZSA-N 0 0 379.435 3.256 20 30 GGEDRN Cc1cc(C)c(N2C[C@@H](C(=O)NCc3cc(C#N)ccc3F)CC2=O)c(C)c1 ZINC000174405652 1427142964 /nfs/dbraw/zinc/14/29/64/1427142964.db2.gz NZKCMEVFHXEYTR-SFHVURJKSA-N 0 0 379.435 3.292 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)c1 ZINC000174405531 1427143164 /nfs/dbraw/zinc/14/31/64/1427143164.db2.gz JPVKNBGPJLLLDG-UHFFFAOYSA-N 0 0 381.407 3.057 20 30 GGEDRN Cc1nnc(SCC(=O)NCc2cc(C#N)ccc2F)n1Cc1ccccc1 ZINC000174409103 1427145459 /nfs/dbraw/zinc/14/54/59/1427145459.db2.gz XGRQUAVWASSQHY-UHFFFAOYSA-N 0 0 395.463 3.054 20 30 GGEDRN CCS[C@@H]1CC[C@H](N(C)C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 ZINC000174411391 1427146026 /nfs/dbraw/zinc/14/60/26/1427146026.db2.gz BIPXEOZQQFXQFD-DLBZAZTESA-N 0 0 385.537 3.283 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)c2sccc2NC(=O)c2ccncc2)c1 ZINC000174415550 1427147932 /nfs/dbraw/zinc/14/79/32/1427147932.db2.gz AYBDDBZPTCLIBS-UHFFFAOYSA-N 0 0 380.404 3.336 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)COc2cccc(NC(=O)c3ccco3)c2)c1 ZINC000174415225 1427148018 /nfs/dbraw/zinc/14/80/18/1427148018.db2.gz ZEJYYCQYVAFJGR-UHFFFAOYSA-N 0 0 393.374 3.238 20 30 GGEDRN CCc1nc(COc2ccc(C(=O)NCc3cc(C#N)ccc3F)cc2)no1 ZINC000174420984 1427150454 /nfs/dbraw/zinc/15/04/54/1427150454.db2.gz KEYHRBIGAILZBL-UHFFFAOYSA-N 0 0 380.379 3.152 20 30 GGEDRN C#C[C@@H](C)OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000174425034 1427151264 /nfs/dbraw/zinc/15/12/64/1427151264.db2.gz RAEDCSYXVXPURW-ZIAGYGMSSA-N 0 0 378.266 3.175 20 30 GGEDRN N#CCCN(C(=O)CCC(=O)NCc1cc(C#N)ccc1F)c1ccccc1 ZINC000174424674 1427151475 /nfs/dbraw/zinc/15/14/75/1427151475.db2.gz NLXZFZZORLTHML-UHFFFAOYSA-N 0 0 378.407 3.041 20 30 GGEDRN CC(=O)c1ccccc1C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000174427979 1427151950 /nfs/dbraw/zinc/15/19/50/1427151950.db2.gz PGOGIOFPMBBMRZ-UHFFFAOYSA-N 0 0 384.439 3.271 20 30 GGEDRN COc1ccc2c(C)c(CCC(=O)NCc3cc(C#N)ccc3F)c(=O)oc2c1 ZINC000174427392 1427152333 /nfs/dbraw/zinc/15/23/33/1427152333.db2.gz UPEIGPGWTWDSJT-UHFFFAOYSA-N 0 0 394.402 3.370 20 30 GGEDRN C[C@H]1CN(Cc2ccc(C(=O)NCc3cc(C#N)ccc3F)cc2)C[C@H](C)O1 ZINC000174428160 1427152343 /nfs/dbraw/zinc/15/23/43/1427152343.db2.gz RPCWZOSQFAKKKN-HOTGVXAUSA-N 0 0 381.451 3.237 20 30 GGEDRN Cc1c(C(=O)NCc2cc(C#N)ccc2F)nnn1-c1ccc(OC(C)C)cc1 ZINC000174429835 1427152988 /nfs/dbraw/zinc/15/29/88/1427152988.db2.gz AINCLTJTSDKESG-UHFFFAOYSA-N 0 0 393.422 3.304 20 30 GGEDRN C#CCSCCNC(=O)Nc1cc(F)c(F)cc1I ZINC000174431506 1427153476 /nfs/dbraw/zinc/15/34/76/1427153476.db2.gz LYWJKFNBGLUSHY-UHFFFAOYSA-N 0 0 396.200 3.057 20 30 GGEDRN Cc1c(C(=O)N(CCC#N)CC(F)(F)F)nnn1-c1ccc(F)c(Cl)c1 ZINC000174434878 1427155008 /nfs/dbraw/zinc/15/50/08/1427155008.db2.gz FOCDMLMRODIRPB-UHFFFAOYSA-N 0 0 389.740 3.286 20 30 GGEDRN C#C[C@@H](C)OC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000174437844 1427156377 /nfs/dbraw/zinc/15/63/77/1427156377.db2.gz RAEBERCXQNDGGX-LLVKDONJSA-N 0 0 376.503 3.052 20 30 GGEDRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N(CCC#N)CC(F)(F)F)C2)c1 ZINC000174440233 1427157029 /nfs/dbraw/zinc/15/70/29/1427157029.db2.gz XLKUEUQNEOOFPC-MRXNPFEDSA-N 0 0 395.425 3.460 20 30 GGEDRN C#C[C@@H](C)OC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000174443844 1427158300 /nfs/dbraw/zinc/15/83/00/1427158300.db2.gz CDYOEQWNCHWUMD-LLVKDONJSA-N 0 0 376.206 3.497 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000174453014 1427162539 /nfs/dbraw/zinc/16/25/39/1427162539.db2.gz PZMUDJKUJIAZPK-UHFFFAOYSA-N 0 0 382.395 3.058 20 30 GGEDRN CN1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)c2ccc(F)cc21 ZINC000174458095 1427165617 /nfs/dbraw/zinc/16/56/17/1427165617.db2.gz MQEJYAJHJQNGNV-UHFFFAOYSA-N 0 0 394.450 3.336 20 30 GGEDRN C[C@H](CC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)C(=O)c1cccc(F)c1 ZINC000174463897 1427168768 /nfs/dbraw/zinc/16/87/68/1427168768.db2.gz JTLKZEKCKZHBCQ-OAHLLOKOSA-N 0 0 397.425 3.394 20 30 GGEDRN CN(CCN1CCOCC1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000174498073 1427184401 /nfs/dbraw/zinc/18/44/01/1427184401.db2.gz BAYNTDWDQYFMJE-UHFFFAOYSA-N 0 0 398.438 3.286 20 30 GGEDRN N#Cc1cnn(-c2ccc(C(=O)Nc3c(F)cccc3NC3CC3)cc2)c1N ZINC000174511276 1427193762 /nfs/dbraw/zinc/19/37/62/1427193762.db2.gz IZMDODVTFQBLGY-UHFFFAOYSA-N 0 0 376.395 3.292 20 30 GGEDRN N#Cc1ccc(C(=O)N(c2cccc(O)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000174518865 1427198110 /nfs/dbraw/zinc/19/81/10/1427198110.db2.gz VZUMNZPJYVDASS-UHFFFAOYSA-N 0 0 378.409 3.300 20 30 GGEDRN N#Cc1ccc(NC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)cc1Cl ZINC000174530151 1427206830 /nfs/dbraw/zinc/20/68/30/1427206830.db2.gz OMXXSXLCEJSIEZ-UHFFFAOYSA-N 0 0 386.814 3.227 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1C(F)(F)F ZINC000174534956 1427209336 /nfs/dbraw/zinc/20/93/36/1427209336.db2.gz XAKPYMGTAODZGG-UHFFFAOYSA-N 0 0 381.741 3.485 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccccn2)cc1F ZINC000174538772 1427211097 /nfs/dbraw/zinc/21/10/97/1427211097.db2.gz WVKSOOASORCEJF-UHFFFAOYSA-N 0 0 390.374 3.140 20 30 GGEDRN CN(C)C(=O)CCCC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000174551669 1427219548 /nfs/dbraw/zinc/21/95/48/1427219548.db2.gz MRCCVDHQTDLFPN-HXUWFJFHSA-N 0 0 379.460 3.205 20 30 GGEDRN CC(C)(C)N1C[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1=O ZINC000174557755 1427223041 /nfs/dbraw/zinc/22/30/41/1427223041.db2.gz UXBQKQGFKCRJNX-IBGZPJMESA-N 0 0 391.471 3.266 20 30 GGEDRN CCN(Cc1cccc(F)c1)C(=O)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000174570708 1427231600 /nfs/dbraw/zinc/23/16/00/1427231600.db2.gz LFQSZQAPSCXBQG-QFIPXVFZSA-N 0 0 394.494 3.057 20 30 GGEDRN CC(=O)NCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 ZINC000174570529 1427231708 /nfs/dbraw/zinc/23/17/08/1427231708.db2.gz AVMROGLIAWXJIL-UHFFFAOYSA-N 0 0 377.322 3.444 20 30 GGEDRN CN1CCO[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC000174573016 1427232995 /nfs/dbraw/zinc/23/29/95/1427232995.db2.gz DOKAZEFSBSZXGE-IBGZPJMESA-N 0 0 385.851 3.060 20 30 GGEDRN CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000174573789 1427233857 /nfs/dbraw/zinc/23/38/57/1427233857.db2.gz PYDQPTRDQQXJGX-WOJBJXKFSA-N 0 0 395.507 3.363 20 30 GGEDRN CCO[C@@H]1C[C@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C12CCCC2 ZINC000174576306 1427235491 /nfs/dbraw/zinc/23/54/91/1427235491.db2.gz QFTAZIQVKPOZAJ-RBUKOAKNSA-N 0 0 395.507 3.004 20 30 GGEDRN CCO[C@H]1C[C@@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C12CCCC2 ZINC000174576337 1427235568 /nfs/dbraw/zinc/23/55/68/1427235568.db2.gz QFTAZIQVKPOZAJ-MOPGFXCFSA-N 0 0 395.507 3.004 20 30 GGEDRN COc1ccccc1-c1nnc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)o1 ZINC000174577622 1427236135 /nfs/dbraw/zinc/23/61/35/1427236135.db2.gz VXIWGJFIANBLMU-IBGZPJMESA-N 0 0 389.459 3.128 20 30 GGEDRN N#Cc1cc(NC(=O)CCc2cccc(F)c2F)ccc1N1CCC(O)CC1 ZINC000174578242 1427236602 /nfs/dbraw/zinc/23/66/02/1427236602.db2.gz QGVSXOIWJKNPAR-UHFFFAOYSA-N 0 0 385.414 3.369 20 30 GGEDRN Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(N3CCC(O)CC3)c(C#N)c1)C2 ZINC000174578596 1427236793 /nfs/dbraw/zinc/23/67/93/1427236793.db2.gz GVWNYCWISSLERA-JOCHJYFZSA-N 0 0 391.471 3.078 20 30 GGEDRN Cc1cc(OCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)ccc1Cl ZINC000174578875 1427237275 /nfs/dbraw/zinc/23/72/75/1427237275.db2.gz AYGWBLXSHNBCDB-UHFFFAOYSA-N 0 0 399.878 3.499 20 30 GGEDRN N#C[C@@H](c1ccccc1)N1CCN(CC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000174578925 1427237743 /nfs/dbraw/zinc/23/77/43/1427237743.db2.gz LOZRRLQZWUEJPX-IBGZPJMESA-N 0 0 386.858 3.300 20 30 GGEDRN N#Cc1cc(NC(=O)CCC(=O)c2ccccc2)ccc1N1CCC(O)CC1 ZINC000174578945 1427237805 /nfs/dbraw/zinc/23/78/05/1427237805.db2.gz UEZLQMCNXWCVLP-UHFFFAOYSA-N 0 0 377.444 3.121 20 30 GGEDRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 ZINC000174580411 1427238266 /nfs/dbraw/zinc/23/82/66/1427238266.db2.gz MTKFTBUZOYWQAE-INIZCTEOSA-N 0 0 379.460 3.234 20 30 GGEDRN N#Cc1cc(NC(=O)CCCOc2ccc(F)cc2)ccc1N1CCC(O)CC1 ZINC000174580637 1427238337 /nfs/dbraw/zinc/23/83/37/1427238337.db2.gz YSRGLICGWSPQCX-UHFFFAOYSA-N 0 0 397.450 3.456 20 30 GGEDRN Cc1nn(C)c2sc(C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)cc12 ZINC000174580583 1427238486 /nfs/dbraw/zinc/23/84/86/1427238486.db2.gz ICKNPBBARROXJP-UHFFFAOYSA-N 0 0 395.488 3.028 20 30 GGEDRN N#Cc1cc(NC(=O)Cc2c[nH]c3cc(F)ccc23)ccc1N1CCC(O)CC1 ZINC000174581667 1427239287 /nfs/dbraw/zinc/23/92/87/1427239287.db2.gz KHTCNHSFVRBKMR-UHFFFAOYSA-N 0 0 392.434 3.321 20 30 GGEDRN CC(C)Oc1ccccc1CC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000174581162 1427239302 /nfs/dbraw/zinc/23/93/02/1427239302.db2.gz ZCMCYDUEQBIOJT-UHFFFAOYSA-N 0 0 393.487 3.488 20 30 GGEDRN N#Cc1cc(NC(=O)Cc2c(F)cccc2Cl)ccc1N1CCC(O)CC1 ZINC000174580885 1427239316 /nfs/dbraw/zinc/23/93/16/1427239316.db2.gz XMCKHUOQLMSSLR-UHFFFAOYSA-N 0 0 387.842 3.493 20 30 GGEDRN COc1ccc(CCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 ZINC000174582635 1427240182 /nfs/dbraw/zinc/24/01/82/1427240182.db2.gz BFZDHLUZAIERPD-UHFFFAOYSA-N 0 0 379.460 3.099 20 30 GGEDRN N#Cc1cc(NC(=O)CCc2cc(F)ccc2F)ccc1N1CCC(O)CC1 ZINC000174583117 1427240467 /nfs/dbraw/zinc/24/04/67/1427240467.db2.gz HJVIVMAZIXMKJP-UHFFFAOYSA-N 0 0 385.414 3.369 20 30 GGEDRN N#Cc1cc(NC(=O)c2ccc(OC(F)F)cc2)ccc1N1CCC(O)CC1 ZINC000174582951 1427240585 /nfs/dbraw/zinc/24/05/85/1427240585.db2.gz HVYOASAPZVHFFJ-UHFFFAOYSA-N 0 0 387.386 3.373 20 30 GGEDRN N#Cc1cc(NC(=O)c2cc(-c3ccccc3)no2)ccc1N1CCC(O)CC1 ZINC000174584475 1427241018 /nfs/dbraw/zinc/24/10/18/1427241018.db2.gz CZKLQJWUCPQHOV-UHFFFAOYSA-N 0 0 388.427 3.427 20 30 GGEDRN CCSc1cc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)ccn1 ZINC000174584668 1427241044 /nfs/dbraw/zinc/24/10/44/1427241044.db2.gz NQNXRGGTGGEHRS-UHFFFAOYSA-N 0 0 382.489 3.279 20 30 GGEDRN N#Cc1cc(NC(=O)[C@H]2CSc3ccccc32)ccc1N1CCC(O)CC1 ZINC000174584901 1427241291 /nfs/dbraw/zinc/24/12/91/1427241291.db2.gz SCSSECFMUFCLQU-SFHVURJKSA-N 0 0 379.485 3.347 20 30 GGEDRN COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000174587004 1427242917 /nfs/dbraw/zinc/24/29/17/1427242917.db2.gz CCQZFAUQPLGZED-OAHLLOKOSA-N 0 0 389.459 3.038 20 30 GGEDRN N#Cc1cc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)ccc1N1CCC(O)CC1 ZINC000174587142 1427243002 /nfs/dbraw/zinc/24/30/02/1427243002.db2.gz NYOCQVAWEHJKJO-QPPBQGQZSA-N 0 0 387.483 3.362 20 30 GGEDRN CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C12CCCC2 ZINC000174588762 1427243691 /nfs/dbraw/zinc/24/36/91/1427243691.db2.gz YOLQVGXWMPVMRI-JKSUJKDBSA-N 0 0 375.856 3.004 20 30 GGEDRN CCO[C@H]1C[C@H](OC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C12CCCCC2 ZINC000174593206 1427246332 /nfs/dbraw/zinc/24/63/32/1427246332.db2.gz NBSZNEOATZFIKE-OALUTQOASA-N 0 0 386.492 3.467 20 30 GGEDRN CCO[C@H]1C[C@@H](OC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C12CCCCC2 ZINC000174593231 1427246519 /nfs/dbraw/zinc/24/65/19/1427246519.db2.gz NBSZNEOATZFIKE-RBUKOAKNSA-N 0 0 386.492 3.467 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCCc2cccc(F)c2)cc1C(F)(F)F ZINC000174599596 1427249924 /nfs/dbraw/zinc/24/99/24/1427249924.db2.gz UPFRNWIZZGIERD-UHFFFAOYSA-N 0 0 379.313 3.014 20 30 GGEDRN N#Cc1ccc(CCC(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000174600118 1427250899 /nfs/dbraw/zinc/25/08/99/1427250899.db2.gz HEUAKEQEJOEKDP-UHFFFAOYSA-N 0 0 389.499 3.088 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H](c1ccc(OC)cc1)C(C)C ZINC000174600196 1427251115 /nfs/dbraw/zinc/25/11/15/1427251115.db2.gz FBXBQSBTWSPRTM-HXUWFJFHSA-N 0 0 398.434 3.298 20 30 GGEDRN N#Cc1ccccc1/C=C/C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000174602067 1427252705 /nfs/dbraw/zinc/25/27/05/1427252705.db2.gz YLORRYRMBCPVTH-ZHACJKMWSA-N 0 0 387.483 3.169 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000174604807 1427255621 /nfs/dbraw/zinc/25/56/21/1427255621.db2.gz MRCRLOFDHPQJFU-FQEVSTJZSA-N 0 0 396.418 3.052 20 30 GGEDRN CCCN1C(=S)N[C@H](c2ccc(C#N)o2)C(C(=O)Nc2cc(C)on2)=C1C ZINC000174605707 1427255949 /nfs/dbraw/zinc/25/59/49/1427255949.db2.gz GFKZUHGAGBGWDU-MRXNPFEDSA-N 0 0 385.449 3.002 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)NCc2ccc(OC(F)(F)F)cc2)c1C#N ZINC000174606530 1427257540 /nfs/dbraw/zinc/25/75/40/1427257540.db2.gz COTKCXZXKFKMNC-UHFFFAOYSA-N 0 0 377.322 3.020 20 30 GGEDRN CCN(CC)C(=O)c1cccc(NC(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000174606325 1427257549 /nfs/dbraw/zinc/25/75/49/1427257549.db2.gz BKJQABCRFJVZMP-UHFFFAOYSA-N 0 0 380.448 3.241 20 30 GGEDRN CCc1ccccc1NC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(C#N)o1 ZINC000174608447 1427259040 /nfs/dbraw/zinc/25/90/40/1427259040.db2.gz UJJODVSMMBYQMT-GOSISDBHSA-N 0 0 380.473 3.487 20 30 GGEDRN COc1ccc(CNc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1[N+](=O)[O-] ZINC000174615964 1427264213 /nfs/dbraw/zinc/26/42/13/1427264213.db2.gz RLGIRRUFBLMPLL-UHFFFAOYSA-N 0 0 382.420 3.048 20 30 GGEDRN N#Cc1cc(NCc2c(Cl)nc3ccccn32)ccc1N1CCC(O)CC1 ZINC000174615801 1427264633 /nfs/dbraw/zinc/26/46/33/1427264633.db2.gz RCUKFGXGVXJOKC-UHFFFAOYSA-N 0 0 381.867 3.433 20 30 GGEDRN COc1cc2c(c(CNc3ccc(N4CCC(O)CC4)c(C#N)c3)c1)O[C@H](C)C2 ZINC000174616656 1427264812 /nfs/dbraw/zinc/26/48/12/1427264812.db2.gz DGQYWKBQFHLXDS-OAHLLOKOSA-N 0 0 393.487 3.463 20 30 GGEDRN CO[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 ZINC000174617716 1427265360 /nfs/dbraw/zinc/26/53/60/1427265360.db2.gz MKZPJZKSTMVDCU-INIZCTEOSA-N 0 0 391.349 3.019 20 30 GGEDRN N#CC1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CCCCC1 ZINC000174617188 1427265527 /nfs/dbraw/zinc/26/55/27/1427265527.db2.gz LDCUGPORPGICCW-INIZCTEOSA-N 0 0 391.418 3.374 20 30 GGEDRN N#Cc1cccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1 ZINC000174619302 1427267053 /nfs/dbraw/zinc/26/70/53/1427267053.db2.gz MRYMHYDFEJPBIR-KRWDZBQOSA-N 0 0 385.370 3.085 20 30 GGEDRN COc1cccc(CCCOC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1 ZINC000174621528 1427269301 /nfs/dbraw/zinc/26/93/01/1427269301.db2.gz XRORNGNOLBQEKJ-UHFFFAOYSA-N 0 0 392.459 3.335 20 30 GGEDRN CCCCOc1ccc(CCNC(=O)C(=O)Nc2cccc(C)c2C#N)cc1 ZINC000174623448 1427269714 /nfs/dbraw/zinc/26/97/14/1427269714.db2.gz KZWMSUKQIGBGOT-UHFFFAOYSA-N 0 0 379.460 3.343 20 30 GGEDRN CCCCCN(Cc1ccc(F)cc1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000174626488 1427272568 /nfs/dbraw/zinc/27/25/68/1427272568.db2.gz RRFRVPOICLLGSJ-MRCUWXFGSA-N 0 0 387.455 3.261 20 30 GGEDRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1 ZINC000174628317 1427273893 /nfs/dbraw/zinc/27/38/93/1427273893.db2.gz FPMURFCZFVJZDD-HXUWFJFHSA-N 0 0 384.430 3.449 20 30 GGEDRN C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)[C@H](C)c1nc(C(C)C)no1 ZINC000174628500 1427274673 /nfs/dbraw/zinc/27/46/73/1427274673.db2.gz MPXNXDHXHZCVAC-CYBMUJFWSA-N 0 0 387.465 3.172 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2)CC(F)F)cc1Cl ZINC000174634053 1427278911 /nfs/dbraw/zinc/27/89/11/1427278911.db2.gz MMCGVUDGKRPJDD-UHFFFAOYSA-N 0 0 377.778 3.444 20 30 GGEDRN C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)Cc1ccccc1OCC ZINC000174643074 1427282526 /nfs/dbraw/zinc/28/25/26/1427282526.db2.gz NBDLEPCXYBRPIE-UHFFFAOYSA-N 0 0 397.500 3.428 20 30 GGEDRN C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC000174642304 1427282617 /nfs/dbraw/zinc/28/26/17/1427282617.db2.gz GEXONILHGIWAPV-UHFFFAOYSA-N 0 0 389.427 3.307 20 30 GGEDRN C[C@H]1CCCC[C@@H]1OCCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174645431 1427284803 /nfs/dbraw/zinc/28/48/03/1427284803.db2.gz NSSJVMPKNCWSSE-LRDDRELGSA-N 0 0 397.397 3.227 20 30 GGEDRN CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 ZINC000174649042 1427286921 /nfs/dbraw/zinc/28/69/21/1427286921.db2.gz PAZYTZWQCQDYID-UHFFFAOYSA-N 0 0 377.322 3.444 20 30 GGEDRN C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)c1cccc(-n2cccn2)c1 ZINC000174658782 1427292976 /nfs/dbraw/zinc/29/29/76/1427292976.db2.gz OOHALBVPGAXRLZ-MRXNPFEDSA-N 0 0 375.432 3.335 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)OCCN1CCCc2ccccc21 ZINC000174671287 1427300029 /nfs/dbraw/zinc/30/00/29/1427300029.db2.gz XUANSUQKYSJLPO-UHFFFAOYSA-N 0 0 380.492 3.342 20 30 GGEDRN Cc1cccc(O[C@H](C)CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1 ZINC000174674925 1427302846 /nfs/dbraw/zinc/30/28/46/1427302846.db2.gz WMBWABPPNZQHJK-OAHLLOKOSA-N 0 0 391.475 3.043 20 30 GGEDRN CCC(=O)N(C)c1ccccc1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000174686419 1427309458 /nfs/dbraw/zinc/30/94/58/1427309458.db2.gz YSJVGYCACSBGLX-UHFFFAOYSA-N 0 0 394.450 3.033 20 30 GGEDRN CC(C)[C@@H](NC(=O)CN(CCC#N)CC1CC1)c1ccc2c(c1)OCCCO2 ZINC000174691085 1427312396 /nfs/dbraw/zinc/31/23/96/1427312396.db2.gz JHCSRGLZONXVOO-JOCHJYFZSA-N 0 0 385.508 3.287 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1C#N ZINC000174693394 1427313367 /nfs/dbraw/zinc/31/33/67/1427313367.db2.gz RECQGBYFEZXRRF-UHFFFAOYSA-N 0 0 389.411 3.333 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cc3ccccc3o2)c1 ZINC000174694084 1427314500 /nfs/dbraw/zinc/31/45/00/1427314500.db2.gz CRLWHJIIIPDNQG-UHFFFAOYSA-N 0 0 384.457 3.169 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2c(C)nc(C3CC3)nc2SC)c1 ZINC000174695677 1427314815 /nfs/dbraw/zinc/31/48/15/1427314815.db2.gz WOOMYYRUAGCFDQ-UHFFFAOYSA-N 0 0 394.500 3.076 20 30 GGEDRN CN1CCC(=O)Nc2cc(C(=O)Nc3cccc(OCCCC#N)c3)ccc21 ZINC000174695407 1427314973 /nfs/dbraw/zinc/31/49/73/1427314973.db2.gz AETZKTCQFUFUOW-UHFFFAOYSA-N 0 0 378.432 3.400 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1C#N ZINC000174698028 1427316130 /nfs/dbraw/zinc/31/61/30/1427316130.db2.gz ONVNLDKTXGTIHP-UHFFFAOYSA-N 0 0 388.427 3.353 20 30 GGEDRN Cn1cccc1[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174701480 1427317960 /nfs/dbraw/zinc/31/79/60/1427317960.db2.gz ZKCAVDQQOXKZPY-MRXNPFEDSA-N 0 0 390.365 3.218 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Oc1cccc2c1CCCC2=O ZINC000174704396 1427319849 /nfs/dbraw/zinc/31/98/49/1427319849.db2.gz LAHFNUQYAKJLDF-UHFFFAOYSA-N 0 0 388.427 3.275 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000174705631 1427320122 /nfs/dbraw/zinc/32/01/22/1427320122.db2.gz RMRIUNJLIPVZKD-UHFFFAOYSA-N 0 0 384.382 3.107 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2CCC(OCc3ccccc3)CC2)c1C#N ZINC000174707996 1427321818 /nfs/dbraw/zinc/32/18/18/1427321818.db2.gz ISYWDWACUZTWLO-UHFFFAOYSA-N 0 0 377.444 3.013 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](Nc1ccccc1)C(C)C ZINC000174712965 1427325282 /nfs/dbraw/zinc/32/52/82/1427325282.db2.gz ORCLUOHTPAUVSS-LJQANCHMSA-N 0 0 397.450 3.029 20 30 GGEDRN N#CCc1ccc(NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 ZINC000174716608 1427327149 /nfs/dbraw/zinc/32/71/49/1427327149.db2.gz DDLQPEGVTPIZRA-UHFFFAOYSA-N 0 0 375.432 3.229 20 30 GGEDRN N#Cc1cccc(CNC(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000174716376 1427327357 /nfs/dbraw/zinc/32/73/57/1427327357.db2.gz MBWVHRRIMFTETC-UHFFFAOYSA-N 0 0 391.818 3.184 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)[C@@H](C)c1ccc(OC)cc1 ZINC000174717467 1427328124 /nfs/dbraw/zinc/32/81/24/1427328124.db2.gz RZGIQJFHSRWITN-AWEZNQCLSA-N 0 0 384.407 3.004 20 30 GGEDRN C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000174721225 1427330728 /nfs/dbraw/zinc/33/07/28/1427330728.db2.gz ZVSFBIHVAZZYKA-HNNXBMFYSA-N 0 0 397.479 3.271 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N(CC)Cc1cccc(Cl)c1 ZINC000174733509 1427337291 /nfs/dbraw/zinc/33/72/91/1427337291.db2.gz XJEMHKGZXGQHSK-UHFFFAOYSA-N 0 0 388.826 3.478 20 30 GGEDRN COc1ccc(C(=O)N[C@@H](C(=O)OCC2(CC#N)CC2)c2ccccc2)cc1 ZINC000174734122 1427338160 /nfs/dbraw/zinc/33/81/60/1427338160.db2.gz RBNQONNVQUITRV-LJQANCHMSA-N 0 0 378.428 3.403 20 30 GGEDRN COC(=O)CCN(c1cccc(F)c1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000174736091 1427339247 /nfs/dbraw/zinc/33/92/47/1427339247.db2.gz DPYAXXHFCLHFOJ-UHFFFAOYSA-N 0 0 396.827 3.109 20 30 GGEDRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCC2(CC#N)CC2)cc1 ZINC000174736572 1427339699 /nfs/dbraw/zinc/33/96/99/1427339699.db2.gz PVTBKSSMUHZQAU-HNNXBMFYSA-N 0 0 376.478 3.100 20 30 GGEDRN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000174736896 1427339978 /nfs/dbraw/zinc/33/99/78/1427339978.db2.gz WYLZIFITUVRCNC-UHFFFAOYSA-N 0 0 398.488 3.090 20 30 GGEDRN CC(=O)N[C@@H](CC(=O)OCC1(CC#N)CC1)c1ccc(Br)cc1 ZINC000174738978 1427341034 /nfs/dbraw/zinc/34/10/34/1427341034.db2.gz ORYXBRITRJXCOO-HNNXBMFYSA-N 0 0 379.254 3.253 20 30 GGEDRN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)OCC2(CC#N)CC2)c1 ZINC000174740039 1427341598 /nfs/dbraw/zinc/34/15/98/1427341598.db2.gz PEPJCGOXMOBAQS-HNNXBMFYSA-N 0 0 376.478 3.100 20 30 GGEDRN N#CCC1(COC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000174739464 1427341950 /nfs/dbraw/zinc/34/19/50/1427341950.db2.gz RKQXGQVNXSGRSG-LBPRGKRZSA-N 0 0 377.238 3.039 20 30 GGEDRN N#CCC1(COC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)CC1 ZINC000174741949 1427342545 /nfs/dbraw/zinc/34/25/45/1427342545.db2.gz HJEFSDDIXIIJHZ-LJQANCHMSA-N 0 0 376.412 3.479 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000174744514 1427344387 /nfs/dbraw/zinc/34/43/87/1427344387.db2.gz OPGWKNIXOLSNTK-HNNXBMFYSA-N 0 0 376.416 3.009 20 30 GGEDRN N#CCC1(COC(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC1 ZINC000174745333 1427344994 /nfs/dbraw/zinc/34/49/94/1427344994.db2.gz LLRBFNCXVQRNBX-CQSZACIVSA-N 0 0 378.375 3.130 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)OCC1(CC#N)CC1 ZINC000174748612 1427346491 /nfs/dbraw/zinc/34/64/91/1427346491.db2.gz RNUMHOIDHSFYDP-MRXNPFEDSA-N 0 0 390.505 3.409 20 30 GGEDRN O=C(CCNC(=O)C1N=CC=CC1=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000174747481 1427346587 /nfs/dbraw/zinc/34/65/87/1427346587.db2.gz MDFMYLQKJHMPIO-MRCUWXFGSA-N 0 0 399.466 3.060 20 30 GGEDRN N#CCC1(COC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000174749200 1427346986 /nfs/dbraw/zinc/34/69/86/1427346986.db2.gz JXFLGSPRCWYOIX-LBPRGKRZSA-N 0 0 377.238 3.039 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000174754525 1427349696 /nfs/dbraw/zinc/34/96/96/1427349696.db2.gz BRUAEMCQXVEZEG-INIZCTEOSA-N 0 0 390.491 3.409 20 30 GGEDRN CN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 ZINC000174756108 1427350854 /nfs/dbraw/zinc/35/08/54/1427350854.db2.gz QLLXYRGQXHSQCP-UHFFFAOYSA-N 0 0 377.322 3.396 20 30 GGEDRN N#CCC1(COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 ZINC000174757148 1427351254 /nfs/dbraw/zinc/35/12/54/1427351254.db2.gz VMIOIBKIPZKXRQ-UHFFFAOYSA-N 0 0 384.457 3.016 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(-n2cccn2)c1 ZINC000174759120 1427352406 /nfs/dbraw/zinc/35/24/06/1427352406.db2.gz ZPFNZDPUPNVUCZ-CYBMUJFWSA-N 0 0 393.834 3.213 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1ccccc1OCC(C)C ZINC000174767357 1427355819 /nfs/dbraw/zinc/35/58/19/1427355819.db2.gz HNORDEYIYMREIV-UHFFFAOYSA-N 0 0 398.434 3.127 20 30 GGEDRN CC(C)(C)OC(=O)N1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)c2ccccc21 ZINC000174767624 1427357015 /nfs/dbraw/zinc/35/70/15/1427357015.db2.gz JBVQVJAGRIGHOV-QFIPXVFZSA-N 0 0 398.507 3.447 20 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20 30 GGEDRN Cc1csc(CCCNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)n1 ZINC000174824696 1427388744 /nfs/dbraw/zinc/38/87/44/1427388744.db2.gz MQXIWKLOXKZBRM-UHFFFAOYSA-N 0 0 396.394 3.030 20 30 GGEDRN Cc1cc(NC(=O)C(=O)NCc2ccc(OCC#N)cc2)ccc1C(F)(F)F ZINC000174829164 1427390621 /nfs/dbraw/zinc/39/06/21/1427390621.db2.gz RBDYKDXEJADYEN-UHFFFAOYSA-N 0 0 391.349 3.171 20 30 GGEDRN Cc1cccc([C@@H]2CCCCN2C(=O)NCCNC(=O)C2N=CC=CC2=O)c1C ZINC000174829541 1427390862 /nfs/dbraw/zinc/39/08/62/1427390862.db2.gz UCXNCKBCOIAZEH-OQLSDQBISA-N 0 0 396.491 3.066 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H]1c1ccccc1OC ZINC000174831777 1427392578 /nfs/dbraw/zinc/39/25/78/1427392578.db2.gz HBBQQCCLACNBHE-SFHVURJKSA-N 0 0 396.418 3.149 20 30 GGEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CN(CCC#N)Cc2ccccn2)c1 ZINC000174832894 1427393729 /nfs/dbraw/zinc/39/37/29/1427393729.db2.gz GIBVKKYXZOEUIF-UHFFFAOYSA-N 0 0 375.476 3.361 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000174835354 1427395370 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COc1ccc([C@H](CO)N(C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1 ZINC000174861053 1427412690 /nfs/dbraw/zinc/41/26/90/1427412690.db2.gz VNFNIDHMYAOAKB-QFIPXVFZSA-N 0 0 391.471 3.412 20 30 GGEDRN Cc1ccc(NC(=O)N2CCN([C@H](C)C(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000174862130 1427414123 /nfs/dbraw/zinc/41/41/23/1427414123.db2.gz VABNEPPCSIAVGA-QGZVFWFLSA-N 0 0 391.475 3.043 20 30 GGEDRN Cc1ccc(NC(=O)N2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000174862048 1427414200 /nfs/dbraw/zinc/41/42/00/1427414200.db2.gz OLUNDGHHFIUXBY-QGZVFWFLSA-N 0 0 391.475 3.043 20 30 GGEDRN C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)Oc1ccccc1 ZINC000174874216 1427421283 /nfs/dbraw/zinc/42/12/83/1427421283.db2.gz KHBIDFCLRJVUDY-LBPRGKRZSA-N 0 0 391.349 3.099 20 30 GGEDRN COCC[C@@](C)(O)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000174894215 1427431579 /nfs/dbraw/zinc/43/15/79/1427431579.db2.gz YPBHFXXEXONSHM-OAQYLSRUSA-N 0 0 384.501 3.368 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000174896518 1427432918 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O=C(CCNC(=O)C1N=CC=CC1=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000174933380 1427452137 /nfs/dbraw/zinc/45/21/37/1427452137.db2.gz ZWVMTMNOCNKUCI-JHBCHSCWSA-N 0 0 395.484 3.065 20 30 GGEDRN C#CCOc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)cc1 ZINC000174933636 1427452871 /nfs/dbraw/zinc/45/28/71/1427452871.db2.gz BNZNYYXYAQZKOR-KUHUBIRLSA-N 0 0 378.428 3.299 20 30 GGEDRN C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CC1 ZINC000824936469 1427455154 /nfs/dbraw/zinc/45/51/54/1427455154.db2.gz HPOVNKJFFGIFPN-DOMZBBRYSA-N 0 0 388.907 3.358 20 30 GGEDRN N#CCCN(C(=O)CNc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1 ZINC000174939560 1427455674 /nfs/dbraw/zinc/45/56/74/1427455674.db2.gz LVGXGCFTTAUSMO-UHFFFAOYSA-N 0 0 387.447 3.034 20 30 GGEDRN CCOC(=O)c1nn(CN2CCC(C#N)CC2)c2ccc(Br)cc21 ZINC000174942355 1427457653 /nfs/dbraw/zinc/45/76/53/1427457653.db2.gz MMCNNRXGCNKZOJ-UHFFFAOYSA-N 0 0 391.269 3.169 20 30 GGEDRN CC[C@H]1Oc2cc([C@H](C)NC(=O)CCc3ccc(C#N)cc3)ccc2NC1=O ZINC000174943834 1427458529 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CC[C@H](C)CN(CC)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000175232731 1427615539 /nfs/dbraw/zinc/61/55/39/1427615539.db2.gz YAAZJKUTKVPFPG-BAOKRACBSA-N 0 0 394.541 3.399 20 30 GGEDRN C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(F)c(C(=O)OC)c1 ZINC000175235495 1427617391 /nfs/dbraw/zinc/61/73/91/1427617391.db2.gz BWHTXQUZGRTOLB-UHFFFAOYSA-N 0 0 381.400 3.128 20 30 GGEDRN CC(C)CCN(CCC#N)Cn1nc(Br)nc1Br ZINC000175235262 1427617558 /nfs/dbraw/zinc/61/75/58/1427617558.db2.gz ZLMRSPCMTVGOEL-UHFFFAOYSA-N 0 0 379.100 3.022 20 30 GGEDRN CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000175238433 1427619517 /nfs/dbraw/zinc/61/95/17/1427619517.db2.gz VRUDNFDWNKHFAQ-OAQYLSRUSA-N 0 0 387.455 3.398 20 30 GGEDRN CCO[C@H]1C[C@@H](N(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1(CC)CC ZINC000175241731 1427622548 /nfs/dbraw/zinc/62/25/48/1427622548.db2.gz OMXUVKHEPCKZBJ-MOPGFXCFSA-N 0 0 387.524 3.238 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(N2CCOC2=O)ccc1C ZINC000175247602 1427624886 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30 GGEDRN Cc1cc([C@](C)(O)CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c(C)o1 ZINC000176168409 1428134009 /nfs/dbraw/zinc/13/40/09/1428134009.db2.gz FUBXMXLFYLZAIS-LJQANCHMSA-N 0 0 394.393 3.474 20 30 GGEDRN N#CCOc1ccc(CC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1 ZINC000176168882 1428135202 /nfs/dbraw/zinc/13/52/02/1428135202.db2.gz CWGUVFAPIVLUJI-OAQYLSRUSA-N 0 0 390.439 3.487 20 30 GGEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCCCOCC1CCOCC1 ZINC000176169105 1428135303 /nfs/dbraw/zinc/13/53/03/1428135303.db2.gz IWLAEDGDHAFHQX-UHFFFAOYSA-N 0 0 398.425 3.189 20 30 GGEDRN N#CCOc1ccccc1C(=O)OC1CCN(c2nncc3ccccc32)CC1 ZINC000176169972 1428135979 /nfs/dbraw/zinc/13/59/79/1428135979.db2.gz IXKBWASJZJHFKD-UHFFFAOYSA-N 0 0 388.427 3.358 20 30 GGEDRN C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)[C@@H]1C ZINC000176173342 1428138500 /nfs/dbraw/zinc/13/85/00/1428138500.db2.gz MMWBWLVUIVPOTG-HZPDHXFCSA-N 0 0 377.444 3.333 20 30 GGEDRN C[C@H]1CCN(C(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)[C@H]1C ZINC000176173388 1428138948 /nfs/dbraw/zinc/13/89/48/1428138948.db2.gz MMWBWLVUIVPOTG-HOTGVXAUSA-N 0 0 377.444 3.333 20 30 GGEDRN CC1(C)c2cc(S(=O)(=O)N(CCC#N)c3ccc(F)cc3)ccc2NC1=O ZINC000176185667 1428149363 /nfs/dbraw/zinc/14/93/63/1428149363.db2.gz DXOGPVYNJYPJNU-UHFFFAOYSA-N 0 0 387.436 3.164 20 30 GGEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CC[C@H](C)[C@H]1C ZINC000176187482 1428150092 /nfs/dbraw/zinc/15/00/92/1428150092.db2.gz SCMMSBSNMATKAS-DZGCQCFKSA-N 0 0 378.432 3.249 20 30 GGEDRN COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(C#N)cs1 ZINC000176187033 1428150220 /nfs/dbraw/zinc/15/02/20/1428150220.db2.gz XXEJYTIOTQBTBX-MRXNPFEDSA-N 0 0 384.486 3.060 20 30 GGEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000176187467 1428150323 /nfs/dbraw/zinc/15/03/23/1428150323.db2.gz SCMMSBSNMATKAS-HIFRSBDPSA-N 0 0 378.432 3.249 20 30 GGEDRN CC1=C(C(=O)N(C)C)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(F)c1 ZINC000176188182 1428151544 /nfs/dbraw/zinc/15/15/44/1428151544.db2.gz VJJNWMZNBITDBO-LJQANCHMSA-N 0 0 394.475 3.495 20 30 GGEDRN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000176190264 1428154519 /nfs/dbraw/zinc/15/45/19/1428154519.db2.gz YDZVYUMSQXUXNV-QWHCGFSZSA-N 0 0 392.864 3.183 20 30 GGEDRN CN(CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(OC(F)F)cc1 ZINC000176192508 1428155985 /nfs/dbraw/zinc/15/59/85/1428155985.db2.gz WSZQPXKZZHVXTA-UHFFFAOYSA-N 0 0 380.416 3.065 20 30 GGEDRN C#CC[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000176201439 1428163861 /nfs/dbraw/zinc/16/38/61/1428163861.db2.gz DQWFKBZMBCPCOJ-MRXNPFEDSA-N 0 0 385.485 3.196 20 30 GGEDRN N#CCOc1ccc(CNC(=O)CSCC(=O)c2ccc(Cl)cc2)cc1 ZINC000176204266 1428165828 /nfs/dbraw/zinc/16/58/28/1428165828.db2.gz HBYCLZWOUXVLBF-UHFFFAOYSA-N 0 0 388.876 3.475 20 30 GGEDRN N#Cc1ccc(CSCC(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)cc1 ZINC000176206365 1428167680 /nfs/dbraw/zinc/16/76/80/1428167680.db2.gz XGUYIZNVBMYYQW-QGZVFWFLSA-N 0 0 387.892 3.178 20 30 GGEDRN COC[C@H](NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1)c1ccco1 ZINC000176208716 1428169321 /nfs/dbraw/zinc/16/93/21/1428169321.db2.gz CHGASYNBGGQGKF-FQEVSTJZSA-N 0 0 388.423 3.122 20 30 GGEDRN C#CC[C@H](C)OC(=O)CSCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000176216189 1428172913 /nfs/dbraw/zinc/17/29/13/1428172913.db2.gz MAUVEQSMBYCALS-NSHDSACASA-N 0 0 376.503 3.052 20 30 GGEDRN C#CC[C@@H](C)OC(=O)CSCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000176216201 1428173190 /nfs/dbraw/zinc/17/31/90/1428173190.db2.gz MAUVEQSMBYCALS-LLVKDONJSA-N 0 0 376.503 3.052 20 30 GGEDRN CCCN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000176222175 1428175938 /nfs/dbraw/zinc/17/59/38/1428175938.db2.gz NCGPXIMMDRMMRL-KRWDZBQOSA-N 0 0 399.516 3.071 20 30 GGEDRN C#CC[C@H](C)OC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Br ZINC000176224321 1428177721 /nfs/dbraw/zinc/17/77/21/1428177721.db2.gz RJGVYGBCJAOSJS-SWLSCSKDSA-N 0 0 398.322 3.256 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)CCN2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000176230311 1428180485 /nfs/dbraw/zinc/18/04/85/1428180485.db2.gz ZXSQPVMOMJPTTM-LJQANCHMSA-N 0 0 390.892 3.059 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)CCN2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000176236987 1428184715 /nfs/dbraw/zinc/18/47/15/1428184715.db2.gz IAQHJUCJXSQOQW-UHFFFAOYSA-N 0 0 394.500 3.088 20 30 GGEDRN CN(C)c1cccc([C@H]2CCCN2CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000176248622 1428194312 /nfs/dbraw/zinc/19/43/12/1428194312.db2.gz JRCJPMRITPSBTH-OAQYLSRUSA-N 0 0 383.517 3.235 20 30 GGEDRN CN(C)c1cccc([C@@H]2CCCN2CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000176248605 1428194711 /nfs/dbraw/zinc/19/47/11/1428194711.db2.gz JRCJPMRITPSBTH-NRFANRHFSA-N 0 0 383.517 3.235 20 30 GGEDRN Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000176255752 1428200155 /nfs/dbraw/zinc/20/01/55/1428200155.db2.gz WHJVKTCCVHYKDO-UHFFFAOYSA-N 0 0 376.460 3.427 20 30 GGEDRN Cc1cccc(NC2CCN(CCS(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000176261723 1428204061 /nfs/dbraw/zinc/20/40/61/1428204061.db2.gz TYPTVCKSOVFFKD-UHFFFAOYSA-N 0 0 383.517 3.217 20 30 GGEDRN CC(C)C1(CNC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 ZINC000176261519 1428204462 /nfs/dbraw/zinc/20/44/62/1428204462.db2.gz PCFWKIDHWGVYBP-OQKWZONESA-N 0 0 392.525 3.057 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(Cl)c1 ZINC000180173962 1429780538 /nfs/dbraw/zinc/78/05/38/1429780538.db2.gz ZLPMEQCZFPNSHO-UHFFFAOYSA-N 0 0 391.836 3.473 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180175873 1429781696 /nfs/dbraw/zinc/78/16/96/1429781696.db2.gz ZRIYGQZWLDYIOP-NVXWUHKLSA-N 0 0 398.818 3.298 20 30 GGEDRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)OCC(C)(C)C#N)c1 ZINC000180178303 1429784575 /nfs/dbraw/zinc/78/45/75/1429784575.db2.gz INVMYYSSFINUCY-UHFFFAOYSA-N 0 0 378.494 3.346 20 30 GGEDRN CC(C)(CO)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000180188792 1429792435 /nfs/dbraw/zinc/79/24/35/1429792435.db2.gz XYMXPAWSPABNRN-MRXNPFEDSA-N 0 0 392.908 3.292 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735425676 1429799943 /nfs/dbraw/zinc/79/99/43/1429799943.db2.gz DKRDLJXHKPRABO-LSDHHAIUSA-N 0 0 396.520 3.182 20 30 GGEDRN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000180212512 1429803221 /nfs/dbraw/zinc/80/32/21/1429803221.db2.gz IKTZMYRQTKESPF-MHZLTWQESA-N 0 0 378.501 3.328 20 30 GGEDRN CC(C)c1nnc(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)n1C ZINC000180218766 1429805214 /nfs/dbraw/zinc/80/52/14/1429805214.db2.gz RTVYJXVTARGUHF-UHFFFAOYSA-N 0 0 389.459 3.319 20 30 GGEDRN N#C[C@H]1CN(C(=O)c2ccccc2OC(F)(F)F)CCN1Cc1ccccc1 ZINC000180221173 1429806251 /nfs/dbraw/zinc/80/62/51/1429806251.db2.gz KNVHBZWXZMEEQP-INIZCTEOSA-N 0 0 389.377 3.435 20 30 GGEDRN COC[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000180234563 1429810336 /nfs/dbraw/zinc/81/03/36/1429810336.db2.gz HSISQKDZJJRKGH-UXHICEINSA-N 0 0 385.414 3.309 20 30 GGEDRN COC[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000180234621 1429810432 /nfs/dbraw/zinc/81/04/32/1429810432.db2.gz HSISQKDZJJRKGH-VQTJNVASSA-N 0 0 385.414 3.309 20 30 GGEDRN N#Cc1ccc(Cn2cnc(NC(=O)c3ccccc3OC(F)(F)F)n2)cc1 ZINC000180236282 1429810772 /nfs/dbraw/zinc/81/07/72/1429810772.db2.gz TXADLAYRNLJBBQ-UHFFFAOYSA-N 0 0 387.321 3.349 20 30 GGEDRN COc1ccc(CNc2cncc(-c3nncn3C)c2)cc1OCCCC#N ZINC000180252859 1429815488 /nfs/dbraw/zinc/81/54/88/1429815488.db2.gz BSGMHBVTEGNTJV-UHFFFAOYSA-N 0 0 378.436 3.180 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)C[C@@H](O)c3cccc(F)c3)CC2)nc1 ZINC000180255499 1429816043 /nfs/dbraw/zinc/81/60/43/1429816043.db2.gz RTJNHYOWTFHGLV-CTWPCTMYSA-N 0 0 383.423 3.022 20 30 GGEDRN CCc1nn(C)c(OC)c1CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000180270699 1429820467 /nfs/dbraw/zinc/82/04/67/1429820467.db2.gz NCQBMQYGFKCLLE-UHFFFAOYSA-N 0 0 378.480 3.058 20 30 GGEDRN N#Cc1ccc(F)cc1CN1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000180281014 1429823384 /nfs/dbraw/zinc/82/33/84/1429823384.db2.gz SGNTUJBMEBRPKY-KRWDZBQOSA-N 0 0 377.341 3.389 20 30 GGEDRN C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc[nH]n1 ZINC000180283855 1429824277 /nfs/dbraw/zinc/82/42/77/1429824277.db2.gz RPKRMQROPTVHAQ-AWEZNQCLSA-N 0 0 376.420 3.332 20 30 GGEDRN N#CCCSc1ccccc1NC(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000180284369 1429824290 /nfs/dbraw/zinc/82/42/90/1429824290.db2.gz FATBLINEVRVPKA-UHFFFAOYSA-N 0 0 391.456 3.455 20 30 GGEDRN CCCN1c2ccc(NC(=O)Cc3cccc(OCC#N)c3)cc2CCC1=O ZINC000180285122 1429824665 /nfs/dbraw/zinc/82/46/65/1429824665.db2.gz GVIDBJKGHKHRGL-UHFFFAOYSA-N 0 0 377.444 3.459 20 30 GGEDRN COc1ccccc1COC1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000180292597 1429827112 /nfs/dbraw/zinc/82/71/12/1429827112.db2.gz FBMDOEYIGFYHGF-UHFFFAOYSA-N 0 0 394.471 3.348 20 30 GGEDRN COc1ccc(CNc2cccnc2N2CCC(O)CC2)cc1OCCCC#N ZINC000180299049 1429829081 /nfs/dbraw/zinc/82/90/81/1429829081.db2.gz QLUOWDMHRIJVGE-UHFFFAOYSA-N 0 0 396.491 3.346 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)Nc2cnn(-c3ccccc3)c2)cc1C(F)(F)F ZINC000180299649 1429829578 /nfs/dbraw/zinc/82/95/78/1429829578.db2.gz IFBASLFYUGSGLD-UHFFFAOYSA-N 0 0 399.332 3.340 20 30 GGEDRN N#Cc1ccc(CC(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)cc1 ZINC000180303753 1429830603 /nfs/dbraw/zinc/83/06/03/1429830603.db2.gz UEFRQBNCLZGVKZ-UHFFFAOYSA-N 0 0 382.427 3.170 20 30 GGEDRN C=C[C@@H](CC(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)c1ccccc1 ZINC000180310272 1429832863 /nfs/dbraw/zinc/83/28/63/1429832863.db2.gz BGBZHWFOBHFJGU-PXNSSMCTSA-N 0 0 390.549 3.199 20 30 GGEDRN Cc1ccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1NS(C)(=O)=O ZINC000180313810 1429833869 /nfs/dbraw/zinc/83/38/69/1429833869.db2.gz JJOFPBZQQIMCJT-UHFFFAOYSA-N 0 0 395.488 3.251 20 30 GGEDRN CCOC(=O)Nc1ccc(NC2CCN(C(=O)c3ccoc3)CC2)cc1C#N ZINC000180321077 1429835811 /nfs/dbraw/zinc/83/58/11/1429835811.db2.gz PDGODSDDHJAQLN-UHFFFAOYSA-N 0 0 382.420 3.436 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000180326808 1429836670 /nfs/dbraw/zinc/83/66/70/1429836670.db2.gz SXKKSADDJYKUMV-JRGCBEDISA-N 0 0 389.455 3.129 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)c3ncccc3C(F)(F)F)CC2)nc1 ZINC000180332430 1429837780 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C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1 ZINC000180936973 1430124099 /nfs/dbraw/zinc/12/40/99/1430124099.db2.gz DJKSDESJHPLNIJ-AWEZNQCLSA-N 0 0 391.899 3.376 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1C ZINC000180943010 1430127414 /nfs/dbraw/zinc/12/74/14/1430127414.db2.gz MHRDBNUUFSVSKB-INIZCTEOSA-N 0 0 375.538 3.348 20 30 GGEDRN N#Cc1cccc(OCCCCC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000180943820 1430128034 /nfs/dbraw/zinc/12/80/34/1430128034.db2.gz OZHINALGKLENDJ-IBGZPJMESA-N 0 0 391.471 3.308 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)NC(C)C)ccc1Cl ZINC000180943646 1430128038 /nfs/dbraw/zinc/12/80/38/1430128038.db2.gz JCESRZWFJOUVJX-CYBMUJFWSA-N 0 0 379.888 3.278 20 30 GGEDRN CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000735939808 1430130142 /nfs/dbraw/zinc/13/01/42/1430130142.db2.gz TYFFWBSDMJCOOK-CQSZACIVSA-N 0 0 394.483 3.431 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000180949977 1430131473 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Cc1sc2ncc(C(=O)OC[C@@H](C#N)Cc3ccc(F)cc3)c(=O)n2c1C ZINC000181111152 1430214548 /nfs/dbraw/zinc/21/45/48/1430214548.db2.gz KUMBCJBSSCNATA-CQSZACIVSA-N 0 0 385.420 3.051 20 30 GGEDRN CCCNc1ccc(C#N)cc1NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000181120707 1430217209 /nfs/dbraw/zinc/21/72/09/1430217209.db2.gz AHVJVFYLLMKHAQ-ROUUACIJSA-N 0 0 396.472 3.023 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@H]2CC23CCCCC3)c1C ZINC000181169622 1430235205 /nfs/dbraw/zinc/23/52/05/1430235205.db2.gz QCLSCYYRLGLULD-SFHVURJKSA-N 0 0 391.475 3.138 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccnn2Cc2ccccn2)cc1 ZINC000181170048 1430235303 /nfs/dbraw/zinc/23/53/03/1430235303.db2.gz KOUOWBVZPZUPPR-UHFFFAOYSA-N 0 0 391.435 3.278 20 30 GGEDRN CCn1nc(C)c(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1C ZINC000181183037 1430240525 /nfs/dbraw/zinc/24/05/25/1430240525.db2.gz PBJNGOXIDIXXOI-LBPRGKRZSA-N 0 0 385.493 3.491 20 30 GGEDRN C=CCNC(=O)CNC(=O)N[C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000181188387 1430242345 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CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C#N)cc2)c2ccccc12 ZINC000182650031 1430509798 /nfs/dbraw/zinc/50/97/98/1430509798.db2.gz LCNSGPRFLFKSOC-UHFFFAOYSA-N 0 0 379.441 3.148 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1nnc2ccccn21 ZINC000182671709 1430514065 /nfs/dbraw/zinc/51/40/65/1430514065.db2.gz FIBIWGMWTWVNFD-GJZGRUSLSA-N 0 0 394.504 3.413 20 30 GGEDRN CCc1ccc([C@@H](NC(=O)NC[C@H](C)C#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000182692789 1430518599 /nfs/dbraw/zinc/51/85/99/1430518599.db2.gz CDMQDHXDURNSIJ-FOIQADDNSA-N 0 0 399.516 3.201 20 30 GGEDRN CCc1ccc([C@@H](NC(=O)NC[C@@H](C)C#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000182692752 1430518646 /nfs/dbraw/zinc/51/86/46/1430518646.db2.gz CDMQDHXDURNSIJ-MGPUTAFESA-N 0 0 399.516 3.201 20 30 GGEDRN Cc1nnc(SCc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c(C#N)c1C ZINC000182704009 1430521986 /nfs/dbraw/zinc/52/19/86/1430521986.db2.gz MVURZFYMLAOHHG-UHFFFAOYSA-N 0 0 383.502 3.434 20 30 GGEDRN Cc1nnc(SCC(=O)N[C@H](c2nccs2)c2ccccc2)c(C#N)c1C ZINC000182707074 1430523031 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ZINC000183911441 1430812208 /nfs/dbraw/zinc/81/22/08/1430812208.db2.gz RUGRREKFDQXWMW-UHFFFAOYSA-N 0 0 376.412 3.453 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000183914520 1430812729 /nfs/dbraw/zinc/81/27/29/1430812729.db2.gz ODPVYHNSGOHESX-INIZCTEOSA-N 0 0 377.510 3.062 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC1(C#N)CCC1 ZINC000183919278 1430813329 /nfs/dbraw/zinc/81/33/29/1430813329.db2.gz RZRIGJMXEDHMRK-UHFFFAOYSA-N 0 0 376.478 3.020 20 30 GGEDRN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)OCC2(C#N)CCC2)c1 ZINC000183919599 1430813406 /nfs/dbraw/zinc/81/34/06/1430813406.db2.gz SLXZZRFJFLMUIH-HNNXBMFYSA-N 0 0 376.478 3.100 20 30 GGEDRN N#C[C@@]1(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCc2ccccc2C1 ZINC000183924657 1430813864 /nfs/dbraw/zinc/81/38/64/1430813864.db2.gz CYAQFYZIPAXGBR-JOCHJYFZSA-N 0 0 390.443 3.376 20 30 GGEDRN N#CC1(COC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CCC1 ZINC000183923308 1430813908 /nfs/dbraw/zinc/81/39/08/1430813908.db2.gz YZYZXDHFMVISMT-UHFFFAOYSA-N 0 0 388.420 3.477 20 30 GGEDRN CC[C@H](CC#N)NC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000183924469 1430813918 /nfs/dbraw/zinc/81/39/18/1430813918.db2.gz ZMWPECGVFBIYBZ-QGZVFWFLSA-N 0 0 386.473 3.493 20 30 GGEDRN CC(=O)CCc1ccc(OCC(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1 ZINC000183927089 1430814159 /nfs/dbraw/zinc/81/41/59/1430814159.db2.gz JKBSRMWGNQROND-QHCPKHFHSA-N 0 0 376.456 3.154 20 30 GGEDRN N#C[C@]1(NC(=O)CCc2nc(-c3cccs3)no2)CCc2ccccc2C1 ZINC000183925008 1430814286 /nfs/dbraw/zinc/81/42/86/1430814286.db2.gz DQGYTTIDXBHJGV-FQEVSTJZSA-N 0 0 378.457 3.298 20 30 GGEDRN CC[C@H](CC#N)NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC000183930525 1430814697 /nfs/dbraw/zinc/81/46/97/1430814697.db2.gz VATBAHMGMYSMNW-GOSISDBHSA-N 0 0 397.500 3.250 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC000183930505 1430814816 /nfs/dbraw/zinc/81/48/16/1430814816.db2.gz VATBAHMGMYSMNW-SFHVURJKSA-N 0 0 397.500 3.250 20 30 GGEDRN CC(C)S(=O)(=O)c1ccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1 ZINC000183937960 1430815499 /nfs/dbraw/zinc/81/54/99/1430815499.db2.gz RARGTILMYMWCFS-NRFANRHFSA-N 0 0 382.485 3.050 20 30 GGEDRN Cc1csc([C@H](C)CNC(=O)N2CCCN(c3ccccc3C#N)CC2)n1 ZINC000183939192 1430815506 /nfs/dbraw/zinc/81/55/06/1430815506.db2.gz OJQLFVIRHANRLD-OAHLLOKOSA-N 0 0 383.521 3.349 20 30 GGEDRN N#C[C@@]1(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCc2ccccc2C1 ZINC000183937892 1430815548 /nfs/dbraw/zinc/81/55/48/1430815548.db2.gz MZFLOWFCHUQSAE-OAQYLSRUSA-N 0 0 376.416 3.350 20 30 GGEDRN CC(C)S(=O)(=O)c1ccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1 ZINC000183937939 1430815574 /nfs/dbraw/zinc/81/55/74/1430815574.db2.gz RARGTILMYMWCFS-OAQYLSRUSA-N 0 0 382.485 3.050 20 30 GGEDRN COc1ccc(CCC(=O)N[C@@]2(C#N)CCc3ccccc3C2)c(OC)c1OC ZINC000183938252 1430815617 /nfs/dbraw/zinc/81/56/17/1430815617.db2.gz IYOFIFIWDJNEMC-QHCPKHFHSA-N 0 0 394.471 3.212 20 30 GGEDRN N#Cc1ccc(CN(C(=O)Nc2ccccc2CN2CCNC2=O)C2CC2)cc1 ZINC000183942519 1430816141 /nfs/dbraw/zinc/81/61/41/1430816141.db2.gz BFYQYMQHVPUZMZ-UHFFFAOYSA-N 0 0 389.459 3.280 20 30 GGEDRN C[C@H]1CCCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000183945928 1430816375 /nfs/dbraw/zinc/81/63/75/1430816375.db2.gz AGMMREFTACDHJN-INIZCTEOSA-N 0 0 382.485 3.404 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@@]1(C#N)CCc2ccccc2C1 ZINC000183947292 1430816804 /nfs/dbraw/zinc/81/68/04/1430816804.db2.gz VJTQDZXWFNAOTO-QHCPKHFHSA-N 0 0 389.455 3.293 20 30 GGEDRN COc1ccc(CCC(=O)N2CCN([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000183947431 1430817065 /nfs/dbraw/zinc/81/70/65/1430817065.db2.gz SWSXGWUCCHHYKW-GOSISDBHSA-N 0 0 377.488 3.405 20 30 GGEDRN Cc1csc([C@H](C)CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1 ZINC000183949312 1430817432 /nfs/dbraw/zinc/81/74/32/1430817432.db2.gz UWXIRHBNXNXDTD-CYBMUJFWSA-N 0 0 387.484 3.098 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O ZINC000183955681 1430818471 /nfs/dbraw/zinc/81/84/71/1430818471.db2.gz QEGOHWZEBGIKSM-ZDUSSCGKSA-N 0 0 396.447 3.236 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000183959763 1430818706 /nfs/dbraw/zinc/81/87/06/1430818706.db2.gz PPGOHIUUDCZKEX-UHFFFAOYSA-N 0 0 394.475 3.441 20 30 GGEDRN N#C[C@@]1(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)CCc2ccccc2C1 ZINC000183959306 1430818717 /nfs/dbraw/zinc/81/87/17/1430818717.db2.gz FKNZNZLWKAOUQK-OAQYLSRUSA-N 0 0 395.846 3.205 20 30 GGEDRN Cc1cnc(C(C)(C)NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)s1 ZINC000183959349 1430818722 /nfs/dbraw/zinc/81/87/22/1430818722.db2.gz RVQYQQYFMFFSIB-UHFFFAOYSA-N 0 0 395.450 3.463 20 30 GGEDRN CCOc1cc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000183958733 1430818742 /nfs/dbraw/zinc/81/87/42/1430818742.db2.gz KZEFBVFHRGYMEX-NRFANRHFSA-N 0 0 395.415 3.183 20 30 GGEDRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000183960663 1430818982 /nfs/dbraw/zinc/81/89/82/1430818982.db2.gz RBUVTESKZACACM-XMMPIXPASA-N 0 0 398.466 3.239 20 30 GGEDRN COc1ccc(C(=O)N2CCN([C@@H](C)c3cccc(C#N)c3)CC2)cc1OC ZINC000183960493 1430819065 /nfs/dbraw/zinc/81/90/65/1430819065.db2.gz KIQUZQBGXSAFLG-INIZCTEOSA-N 0 0 379.460 3.094 20 30 GGEDRN CC(C)=CC(=O)NCc1ccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1 ZINC000183965168 1430819589 /nfs/dbraw/zinc/81/95/89/1430819589.db2.gz CUVFWNCSHUQBIA-DEOSSOPVSA-N 0 0 387.483 3.450 20 30 GGEDRN CC(=O)N[C@@H](CC(=O)N[C@]1(C#N)CCc2ccccc2C1)c1c(F)cccc1F ZINC000183975670 1430821432 /nfs/dbraw/zinc/82/14/32/1430821432.db2.gz VOIHDNKIVJJMND-SIKLNZKXSA-N 0 0 397.425 3.100 20 30 GGEDRN CC(=O)N[C@H](CC(=O)N[C@@]1(C#N)CCc2ccccc2C1)c1c(F)cccc1F ZINC000183975723 1430821539 /nfs/dbraw/zinc/82/15/39/1430821539.db2.gz VOIHDNKIVJJMND-KNQAVFIVSA-N 0 0 397.425 3.100 20 30 GGEDRN N#C[C@]1(NC(=O)c2cn(-c3ccccc3Cl)nn2)CCc2ccccc2C1 ZINC000183975647 1430821561 /nfs/dbraw/zinc/82/15/61/1430821561.db2.gz XFOFIMZLVQZDFB-FQEVSTJZSA-N 0 0 377.835 3.102 20 30 GGEDRN Cc1nc(-c2ncccn2)sc1C(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000183985711 1430823738 /nfs/dbraw/zinc/82/37/38/1430823738.db2.gz DBQMJUAUAJRHSN-HXUWFJFHSA-N 0 0 375.457 3.090 20 30 GGEDRN Cc1nc(-c2ncccn2)sc1C(=O)N[C@@]1(C#N)CCc2ccccc2C1 ZINC000183985730 1430823748 /nfs/dbraw/zinc/82/37/48/1430823748.db2.gz DBQMJUAUAJRHSN-FQEVSTJZSA-N 0 0 375.457 3.090 20 30 GGEDRN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@@]3(C#N)CCc4ccccc4C3)c12 ZINC000183993108 1430825509 /nfs/dbraw/zinc/82/55/09/1430825509.db2.gz BLFXYOSCHGPTMP-QHCPKHFHSA-N 0 0 385.471 3.335 20 30 GGEDRN N#C[C@@]1(NC(=O)CCCNC(=O)c2ccc(F)cc2F)CCc2ccccc2C1 ZINC000183995748 1430825807 /nfs/dbraw/zinc/82/58/07/1430825807.db2.gz RLGDXSBSHZAJDX-JOCHJYFZSA-N 0 0 397.425 3.042 20 30 GGEDRN CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)o1 ZINC000184000852 1430826520 /nfs/dbraw/zinc/82/65/20/1430826520.db2.gz IMXCQKKBKILGJF-QFIPXVFZSA-N 0 0 395.459 3.485 20 30 GGEDRN CC(=O)N[C@H](CC(=O)N[C@]1(C#N)CCc2ccccc2C1)c1ccc(F)cc1F ZINC000184000896 1430826615 /nfs/dbraw/zinc/82/66/15/1430826615.db2.gz YKKNWFHDARMYAW-IFMALSPDSA-N 0 0 397.425 3.100 20 30 GGEDRN CCOc1cn(-c2ccccc2)nc1C(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000183999587 1430826631 /nfs/dbraw/zinc/82/66/31/1430826631.db2.gz PKYMPGLNGALJQS-HSZRJFAPSA-N 0 0 386.455 3.452 20 30 GGEDRN CC(=O)N[C@H](CC(=O)N[C@@]1(C#N)CCc2ccccc2C1)c1ccc(F)cc1F ZINC000184000939 1430826910 /nfs/dbraw/zinc/82/69/10/1430826910.db2.gz YKKNWFHDARMYAW-IRLDBZIGSA-N 0 0 397.425 3.100 20 30 GGEDRN C=CCC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)NCC)cc1)c1ccccc1 ZINC000184001912 1430826917 /nfs/dbraw/zinc/82/69/17/1430826917.db2.gz GKXXKKGDQCAQPN-HXUWFJFHSA-N 0 0 386.517 3.351 20 30 GGEDRN N#C[C@]1(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)CCc2ccccc2C1 ZINC000184005200 1430827423 /nfs/dbraw/zinc/82/74/23/1430827423.db2.gz AJKXIYFKIARITC-GGAORHGYSA-N 0 0 376.456 3.425 20 30 GGEDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1OC ZINC000184006511 1430827694 /nfs/dbraw/zinc/82/76/94/1430827694.db2.gz ISPPOLRDBBCHER-NRFANRHFSA-N 0 0 395.415 3.183 20 30 GGEDRN N#CC1(NC(=O)CN2CCO[C@H](c3ccccc3C(F)(F)F)C2)CCCCC1 ZINC000184006014 1430827697 /nfs/dbraw/zinc/82/76/97/1430827697.db2.gz DZAYRBVRWAUDAA-KRWDZBQOSA-N 0 0 395.425 3.421 20 30 GGEDRN Cc1cnc([C@H](C)CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)s1 ZINC000184007571 1430828103 /nfs/dbraw/zinc/82/81/03/1430828103.db2.gz QPGKFDAGBASFAK-OAHLLOKOSA-N 0 0 384.505 3.398 20 30 GGEDRN N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)c2)cc1 ZINC000184012320 1430828632 /nfs/dbraw/zinc/82/86/32/1430828632.db2.gz PYQCPEPXKKHNGQ-INIZCTEOSA-N 0 0 390.443 3.483 20 30 GGEDRN CC(C)(C)C(=O)Nc1nc(CC(=O)N[C@]2(C#N)CCc3ccccc3C2)cs1 ZINC000184012058 1430828740 /nfs/dbraw/zinc/82/87/40/1430828740.db2.gz BIXQLJANJIDJLN-OAQYLSRUSA-N 0 0 396.516 3.238 20 30 GGEDRN N#C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCc2ccccc2C1 ZINC000184013951 1430828836 /nfs/dbraw/zinc/82/88/36/1430828836.db2.gz RTTGENFYMVXIIS-IBGZPJMESA-N 0 0 387.342 3.377 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@]1(C)Cc1ccccc1 ZINC000184020418 1430830083 /nfs/dbraw/zinc/83/00/83/1430830083.db2.gz QUEVQOILEJELIF-QHCPKHFHSA-N 0 0 377.488 3.420 20 30 GGEDRN N#Cc1cnn(-c2ccc(C(=O)N3CC[C@@H](c4c(F)cccc4F)C3)cc2)c1N ZINC000184021887 1430830430 /nfs/dbraw/zinc/83/04/30/1430830430.db2.gz UIIHHYADFAMVOB-CQSZACIVSA-N 0 0 393.397 3.234 20 30 GGEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C ZINC000184030721 1430831676 /nfs/dbraw/zinc/83/16/76/1430831676.db2.gz SQCCSDGORWIQEL-UHFFFAOYSA-N 0 0 389.471 3.061 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000184038004 1430832824 /nfs/dbraw/zinc/83/28/24/1430832824.db2.gz MVEYDZNPLJLXQN-HNNXBMFYSA-N 0 0 376.420 3.456 20 30 GGEDRN N#Cc1cccc(OCCCCC(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)c1 ZINC000184046200 1430833882 /nfs/dbraw/zinc/83/38/82/1430833882.db2.gz PSMMULVGMUEMMC-UXHICEINSA-N 0 0 384.476 3.094 20 30 GGEDRN N#Cc1cccc(OCCCCC(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)c1 ZINC000184046164 1430833943 /nfs/dbraw/zinc/83/39/43/1430833943.db2.gz PSMMULVGMUEMMC-PMACEKPBSA-N 0 0 384.476 3.094 20 30 GGEDRN Cc1cn(-c2ccccc2)nc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000184068094 1430836999 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1430935617 /nfs/dbraw/zinc/93/56/17/1430935617.db2.gz GEYJRBIIGZRBMQ-UHFFFAOYSA-N 0 0 399.516 3.124 20 30 GGEDRN CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000184699389 1430945768 /nfs/dbraw/zinc/94/57/68/1430945768.db2.gz UWVXIKBNNZLWNE-CVEARBPZSA-N 0 0 380.444 3.455 20 30 GGEDRN CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000184699714 1430946048 /nfs/dbraw/zinc/94/60/48/1430946048.db2.gz FDFHKWPRSLGCIN-CVEARBPZSA-N 0 0 380.444 3.455 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000184729383 1430955792 /nfs/dbraw/zinc/95/57/92/1430955792.db2.gz AVHXWZOXVHSCGC-QGZVFWFLSA-N 0 0 394.496 3.278 20 30 GGEDRN CN(C)[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1c(F)cccc1F ZINC000184733336 1430957218 /nfs/dbraw/zinc/95/72/18/1430957218.db2.gz WWXYLPGXLNEVCH-OAHLLOKOSA-N 0 0 399.850 3.071 20 30 GGEDRN O=C1C[C@H](/N=C/c2ccc(O)c(O)c2O)CN1Cc1ccccc1C(F)(F)F ZINC000184743793 1430962074 /nfs/dbraw/zinc/96/20/74/1430962074.db2.gz HBHOIOXHHKSXTF-REWRTCKKSA-N 0 0 394.349 3.042 20 30 GGEDRN Oc1ccc(/C=N/c2ccc(Cc3nnc4n3CCCCC4)cc2)c(O)c1O ZINC000184742770 1430962099 /nfs/dbraw/zinc/96/20/99/1430962099.db2.gz PPTOOOPHWMKHCD-LPYMAVHISA-N 0 0 378.432 3.463 20 30 GGEDRN CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000184763502 1430970216 /nfs/dbraw/zinc/97/02/16/1430970216.db2.gz BQDUGKDTIABJQD-CVEARBPZSA-N 0 0 380.444 3.455 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N1CCN(C2CC2)c2c(C)cccc21 ZINC000184770852 1430971961 /nfs/dbraw/zinc/97/19/61/1430971961.db2.gz WOPTWBOVAYEHFJ-UHFFFAOYSA-N 0 0 377.444 3.270 20 30 GGEDRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)OCC(C)(C)CC#N ZINC000184771298 1430972289 /nfs/dbraw/zinc/97/22/89/1430972289.db2.gz HMCNVVSLBQNFOW-UHFFFAOYSA-N 0 0 383.374 3.176 20 30 GGEDRN C=CCc1ccc(OC[C@H](O)COc2c(F)cccc2[N+](=O)[O-])c(OC)c1 ZINC000184776037 1430974571 /nfs/dbraw/zinc/97/45/71/1430974571.db2.gz SVGRFMLVIHCKID-AWEZNQCLSA-N 0 0 377.368 3.290 20 30 GGEDRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCC(C)(C)CC#N)cc1 ZINC000184787472 1430977690 /nfs/dbraw/zinc/97/76/90/1430977690.db2.gz IYLPWUUNLSIFOU-OAHLLOKOSA-N 0 0 378.494 3.346 20 30 GGEDRN CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000184790596 1430978126 /nfs/dbraw/zinc/97/81/26/1430978126.db2.gz KOKDFSDZRKUUOT-CVEARBPZSA-N 0 0 380.444 3.455 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)c1C#N ZINC000184814343 1430985965 /nfs/dbraw/zinc/98/59/65/1430985965.db2.gz BGCGDUJHJWPTPW-GOSISDBHSA-N 0 0 383.835 3.059 20 30 GGEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C(N)=O)C(C)C ZINC000184822999 1430991362 /nfs/dbraw/zinc/99/13/62/1430991362.db2.gz OMEDUGFDGGWXGH-LJQANCHMSA-N 0 0 380.448 3.077 20 30 GGEDRN C[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1nnnn1-c1ccccc1 ZINC000184837141 1430998139 /nfs/dbraw/zinc/99/81/39/1430998139.db2.gz HVGLUBGOQMGFIT-CQSZACIVSA-N 0 0 387.365 3.263 20 30 GGEDRN C=C(C)[C@H](NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1ccc(F)c(F)c1 ZINC000184844141 1431000847 /nfs/dbraw/zinc/00/08/47/1431000847.db2.gz GUSNWDMYOUHRFE-UZLBHIALSA-N 0 0 398.409 3.217 20 30 GGEDRN C=C(C)[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000184845503 1431001315 /nfs/dbraw/zinc/00/13/15/1431001315.db2.gz XLLXZSNPALXTDS-GOSISDBHSA-N 0 0 389.358 3.036 20 30 GGEDRN C=C(C)[C@H](NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(F)c(F)c1 ZINC000184846425 1431002063 /nfs/dbraw/zinc/00/20/63/1431002063.db2.gz JYPRUAOOHWXRSI-UWJYYQICSA-N 0 0 399.397 3.067 20 30 GGEDRN C=C(C)[C@@H](NC(=O)c1cn(CC(OCC)OCC)nn1)c1ccc(F)c(F)c1 ZINC000184851272 1431003354 /nfs/dbraw/zinc/00/33/54/1431003354.db2.gz VLKXEEVULHVZOX-GOSISDBHSA-N 0 0 394.422 3.003 20 30 GGEDRN C=C(C)[C@H](NC(=O)c1cn(CC(=O)C(C)(C)C)nn1)c1ccc(F)c(F)c1 ZINC000184857068 1431004903 /nfs/dbraw/zinc/00/49/03/1431004903.db2.gz KWOZJBDKWIRFOR-KRWDZBQOSA-N 0 0 376.407 3.219 20 30 GGEDRN CC#CCCCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000184871196 1431008509 /nfs/dbraw/zinc/00/85/09/1431008509.db2.gz MGQQDWQLFVQXNR-UHFFFAOYSA-N 0 0 393.446 3.016 20 30 GGEDRN C#Cc1cccc(NS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1 ZINC000184881304 1431011391 /nfs/dbraw/zinc/01/13/91/1431011391.db2.gz HHLIKFARJZMDSR-OAHLLOKOSA-N 0 0 375.421 3.023 20 30 GGEDRN Cc1c(C#N)cccc1NS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000184891548 1431014439 /nfs/dbraw/zinc/01/44/39/1431014439.db2.gz TXUAVBZVAFNTTM-CQSZACIVSA-N 0 0 390.436 3.222 20 30 GGEDRN C=CCOc1ccccc1CNC(=O)N1CCN([C@H](C)c2nccs2)CC1 ZINC000184897141 1431016214 /nfs/dbraw/zinc/01/62/14/1431016214.db2.gz WUTOQCNDZFROEE-MRXNPFEDSA-N 0 0 386.521 3.296 20 30 GGEDRN Cn1c(CSc2nc(N)c(C#N)cc2C#N)nnc1-c1ccc(Cl)cc1 ZINC000184903570 1431017968 /nfs/dbraw/zinc/01/79/68/1431017968.db2.gz MAIKDHXVWOBNSA-UHFFFAOYSA-N 0 0 381.852 3.148 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000184905660 1431018210 /nfs/dbraw/zinc/01/82/10/1431018210.db2.gz PGCYTKGXRYMJKB-CVEARBPZSA-N 0 0 385.389 3.428 20 30 GGEDRN CC#CCCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC ZINC000184908616 1431019083 /nfs/dbraw/zinc/01/90/83/1431019083.db2.gz DAYTUGUHVGLSMB-UHFFFAOYSA-N 0 0 378.494 3.002 20 30 GGEDRN Cc1oc2ccccc2c1CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000184930753 1431024170 /nfs/dbraw/zinc/02/41/70/1431024170.db2.gz GCTVLLJUSNYAAB-CYBMUJFWSA-N 0 0 377.400 3.287 20 30 GGEDRN Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccc(N3CCC(O)CC3)c(C#N)c1)CO2 ZINC000184940555 1431026966 /nfs/dbraw/zinc/02/69/66/1431026966.db2.gz JWYYXQAMIGYXPM-HXUWFJFHSA-N 0 0 391.471 3.251 20 30 GGEDRN CC#CCCCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC ZINC000184944182 1431027631 /nfs/dbraw/zinc/02/76/31/1431027631.db2.gz SWBNPUKLCGWWLF-UHFFFAOYSA-N 0 0 392.521 3.392 20 30 GGEDRN C=CCNC(=O)NC(=O)CN[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000184951397 1431029149 /nfs/dbraw/zinc/02/91/49/1431029149.db2.gz NTKGCWQISGZZSK-NSHDSACASA-N 0 0 392.912 3.434 20 30 GGEDRN CC#CCCCC(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000184957765 1431030387 /nfs/dbraw/zinc/03/03/87/1431030387.db2.gz FRWNNCQVHSFTOF-UHFFFAOYSA-N 0 0 378.428 3.477 20 30 GGEDRN CC#CCCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C ZINC000184969375 1431033430 /nfs/dbraw/zinc/03/34/30/1431033430.db2.gz VKZXMCHNXDZCTR-UHFFFAOYSA-N 0 0 391.537 3.059 20 30 GGEDRN CC#CCCCC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 ZINC000184973215 1431034173 /nfs/dbraw/zinc/03/41/73/1431034173.db2.gz KBUKQFZDVYZLJU-UHFFFAOYSA-N 0 0 378.494 3.002 20 30 GGEDRN C[C@@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185002705 1431039555 /nfs/dbraw/zinc/03/95/55/1431039555.db2.gz RSXGAGRNJGQZBK-OAHLLOKOSA-N 0 0 396.422 3.448 20 30 GGEDRN Cc1cnc([C@@H](C)NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)s1 ZINC000185014418 1431042276 /nfs/dbraw/zinc/04/22/76/1431042276.db2.gz WNXURQWHFLQQNJ-CYBMUJFWSA-N 0 0 381.423 3.289 20 30 GGEDRN Cc1ccn(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c(=O)c1C#N ZINC000185033957 1431045501 /nfs/dbraw/zinc/04/55/01/1431045501.db2.gz QFHRFFWTOUTJKE-MRXNPFEDSA-N 0 0 392.440 3.061 20 30 GGEDRN Cc1ccn(CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)c(=O)c1C#N ZINC000185034013 1431045862 /nfs/dbraw/zinc/04/58/62/1431045862.db2.gz NRGFJYWQCMKIGO-INIZCTEOSA-N 0 0 392.440 3.061 20 30 GGEDRN COc1cccc(OC)c1S(=O)(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000185042259 1431047529 /nfs/dbraw/zinc/04/75/29/1431047529.db2.gz YHBQYCWAPMCVFM-UHFFFAOYSA-N 0 0 399.390 3.053 20 30 GGEDRN C=CCSc1ccccc1NC(=O)Cn1cnc(=O)c2cc(OC)c(F)cc21 ZINC000185060952 1431051870 /nfs/dbraw/zinc/05/18/70/1431051870.db2.gz QVZFABDXVODUNY-UHFFFAOYSA-N 0 0 399.447 3.461 20 30 GGEDRN C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000185064794 1431052556 /nfs/dbraw/zinc/05/25/56/1431052556.db2.gz ZIDHHVBCIUELJS-CYBMUJFWSA-N 0 0 379.395 3.427 20 30 GGEDRN O=C([C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000185070199 1431053872 /nfs/dbraw/zinc/05/38/72/1431053872.db2.gz AHIHBGYXWXHBBB-QWRGUYRKSA-N 0 0 398.322 3.252 20 30 GGEDRN C=C(C)C[C@@H](C)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000185074247 1431054597 /nfs/dbraw/zinc/05/45/97/1431054597.db2.gz FNOIAMTWMGNQMG-MRXNPFEDSA-N 0 0 376.522 3.353 20 30 GGEDRN COc1cc(C#N)ccc1OCCN[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185075680 1431054943 /nfs/dbraw/zinc/05/49/43/1431054943.db2.gz BQYQUBPSKQJPPR-ZDUSSCGKSA-N 0 0 382.395 3.486 20 30 GGEDRN COc1cc(C#N)ccc1OCCN[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185075698 1431055037 /nfs/dbraw/zinc/05/50/37/1431055037.db2.gz BQYQUBPSKQJPPR-CYBMUJFWSA-N 0 0 382.395 3.486 20 30 GGEDRN Cc1oc(NC(=O)CN[C@@H](C)c2nc(-c3cccc(F)c3)no2)c(C#N)c1C ZINC000185080666 1431056078 /nfs/dbraw/zinc/05/60/78/1431056078.db2.gz HDHYQOLVEUHHJP-NSHDSACASA-N 0 0 383.383 3.247 20 30 GGEDRN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1nc(-c2cccc(F)c2)no1 ZINC000185086111 1431057305 /nfs/dbraw/zinc/05/73/05/1431057305.db2.gz JNLAXMKSQJXSAE-LLVKDONJSA-N 0 0 385.424 3.488 20 30 GGEDRN CC(C)CS(=O)(=O)CCC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000185091224 1431058312 /nfs/dbraw/zinc/05/83/12/1431058312.db2.gz IIXBSSJOTVYNHO-UHFFFAOYSA-N 0 0 380.554 3.158 20 30 GGEDRN N#CCCN(C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000185090633 1431058442 /nfs/dbraw/zinc/05/84/42/1431058442.db2.gz GXVLFJYKWBSIJX-GYVBGXKYSA-N 0 0 395.503 3.339 20 30 GGEDRN C=CCOc1ccc(C(=O)NC2CCC(O)(c3cccnc3)CC2)cc1OC ZINC000185093813 1431059147 /nfs/dbraw/zinc/05/91/47/1431059147.db2.gz YQLPKZWOCOBEBS-UHFFFAOYSA-N 0 0 382.460 3.215 20 30 GGEDRN N#CCCN(C(=O)CCNC(=O)Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000185095767 1431059526 /nfs/dbraw/zinc/05/95/26/1431059526.db2.gz QVCYMRCHJRYCBQ-UHFFFAOYSA-N 0 0 393.531 3.446 20 30 GGEDRN C[C@@](O)(CNC(=O)CCCC(=O)Nc1ccccc1C#N)c1cccc(Cl)c1 ZINC000185116754 1431064547 /nfs/dbraw/zinc/06/45/47/1431064547.db2.gz DFPYNTYEAGDVHZ-OAQYLSRUSA-N 0 0 399.878 3.344 20 30 GGEDRN C#CCOc1ccc(F)cc1NCCCS(=O)(=O)c1ccccc1OC ZINC000185122893 1431066111 /nfs/dbraw/zinc/06/61/11/1431066111.db2.gz DTBYJAXDJOHSRD-UHFFFAOYSA-N 0 0 377.437 3.122 20 30 GGEDRN N#Cc1cccc(-c2csc(NC(=O)c3ccnc(O[C@H]4CCOC4)c3)n2)c1 ZINC000185131894 1431068788 /nfs/dbraw/zinc/06/87/88/1431068788.db2.gz KZUINJKVCCBZAD-INIZCTEOSA-N 0 0 392.440 3.497 20 30 GGEDRN CNC(=O)C1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000185133012 1431068877 /nfs/dbraw/zinc/06/88/77/1431068877.db2.gz ZFSNORVNBNQGPO-KRWDZBQOSA-N 0 0 382.851 3.205 20 30 GGEDRN N#C[C@@]1(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)CCc2ccccc2C1 ZINC000185150006 1431072900 /nfs/dbraw/zinc/07/29/00/1431072900.db2.gz ZNDMNYZNORSYDQ-QGZVFWFLSA-N 0 0 396.390 3.315 20 30 GGEDRN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1nc(C(C)(C)C)no1 ZINC000185150786 1431073243 /nfs/dbraw/zinc/07/32/43/1431073243.db2.gz SHWPOFFZKDXNMR-KGLIPLIRSA-N 0 0 387.459 3.492 20 30 GGEDRN C[C@@H](N[C@H](C)c1nc(C(C)(C)C)no1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000185153635 1431073472 /nfs/dbraw/zinc/07/34/72/1431073472.db2.gz JLWVHJFNKWHTME-YCTJDYOESA-N 0 0 375.517 3.337 20 30 GGEDRN N#Cc1cccc(NC(=O)C[S@](=O)Cc2ccn(-c3ccc(Cl)cc3)n2)c1 ZINC000185176667 1431078083 /nfs/dbraw/zinc/07/80/83/1431078083.db2.gz VLSUGFRJHVLJGW-HHHXNRCGSA-N 0 0 398.875 3.285 20 30 GGEDRN Cc1ccnn1-c1ccccc1NC(=O)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000185183291 1431079274 /nfs/dbraw/zinc/07/92/74/1431079274.db2.gz GQHJRPHCIUTCHU-GOSISDBHSA-N 0 0 387.443 3.281 20 30 GGEDRN N#Cc1ccccc1OCC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000185202576 1431083816 /nfs/dbraw/zinc/08/38/16/1431083816.db2.gz REEYUBOLEZZGGK-HNNXBMFYSA-N 0 0 389.377 3.351 20 30 GGEDRN CC(C)(C)OC(=O)NC[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000185203824 1431084100 /nfs/dbraw/zinc/08/41/00/1431084100.db2.gz YVYRQJKKTPRBAM-MRXNPFEDSA-N 0 0 383.452 3.001 20 30 GGEDRN N#CCc1ccc(OCc2ccccc2NC(=O)NCC(F)(F)CO)cc1 ZINC000185215528 1431086857 /nfs/dbraw/zinc/08/68/57/1431086857.db2.gz MRFBVBBSSCQVMT-UHFFFAOYSA-N 0 0 375.375 3.081 20 30 GGEDRN N#Cc1ccc(OC2CN(C(=O)c3cc(COc4ccccc4F)on3)C2)cc1 ZINC000185240245 1431091696 /nfs/dbraw/zinc/09/16/96/1431091696.db2.gz YMJHUUWQEURYMQ-UHFFFAOYSA-N 0 0 393.374 3.168 20 30 GGEDRN C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 ZINC000185243960 1431092693 /nfs/dbraw/zinc/09/26/93/1431092693.db2.gz XPPYBBCIACIOJM-CQSZACIVSA-N 0 0 388.493 3.113 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000185267709 1431097034 /nfs/dbraw/zinc/09/70/34/1431097034.db2.gz AJPOHKBGGYHGDN-UHFFFAOYSA-N 0 0 381.407 3.100 20 30 GGEDRN Cc1nn(Cc2ccc(Cl)cc2C#N)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000185285228 1431099610 /nfs/dbraw/zinc/09/96/10/1431099610.db2.gz KTUAQGZHCCWYKV-UHFFFAOYSA-N 0 0 392.912 3.248 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000185302041 1431105395 /nfs/dbraw/zinc/10/53/95/1431105395.db2.gz VZWXLWMTHAZHHJ-OAHLLOKOSA-N 0 0 376.428 3.100 20 30 GGEDRN C[C@@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)c1cnccn1 ZINC000185302726 1431106144 /nfs/dbraw/zinc/10/61/44/1431106144.db2.gz FUAOOWBOZIRABB-GFCCVEGCSA-N 0 0 376.445 3.431 20 30 GGEDRN C[C@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)c1cnccn1 ZINC000185302704 1431106370 /nfs/dbraw/zinc/10/63/70/1431106370.db2.gz FUAOOWBOZIRABB-LBPRGKRZSA-N 0 0 376.445 3.431 20 30 GGEDRN CC(C)CCN(CCC#N)S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000185321983 1431113294 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C=CCOc1ccccc1CNC(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC000188703661 1431939405 /nfs/dbraw/zinc/93/94/05/1431939405.db2.gz RSPDICMWDSGSID-UHFFFAOYSA-N 0 0 385.430 3.325 20 30 GGEDRN C[S@@](=O)C[C@H](NC(=O)Nc1ncccc1OCCCC#N)c1ccccc1 ZINC000188707198 1431940191 /nfs/dbraw/zinc/94/01/91/1431940191.db2.gz AXUGPPHCKNRSBL-RKOGDMNLSA-N 0 0 386.477 3.005 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000188706117 1431940505 /nfs/dbraw/zinc/94/05/05/1431940505.db2.gz MGVOQNFCXSHVHV-UHFFFAOYSA-N 0 0 377.448 3.462 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000188722359 1431945504 /nfs/dbraw/zinc/94/55/04/1431945504.db2.gz QJYWGPWDTSISBZ-JOCHJYFZSA-N 0 0 392.459 3.470 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000188722382 1431945510 /nfs/dbraw/zinc/94/55/10/1431945510.db2.gz QJYWGPWDTSISBZ-QFIPXVFZSA-N 0 0 392.459 3.470 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000188722580 1431946892 /nfs/dbraw/zinc/94/68/92/1431946892.db2.gz 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3.277 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000189127661 1432049839 /nfs/dbraw/zinc/04/98/39/1432049839.db2.gz YFZNPUULNHBPOI-OAHLLOKOSA-N 0 0 383.423 3.351 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000189130925 1432049927 /nfs/dbraw/zinc/04/99/27/1432049927.db2.gz WVONVDUDAQTKOO-HNNXBMFYSA-N 0 0 382.489 3.321 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccccc1N(C)Cc1ccccc1 ZINC000189133335 1432050052 /nfs/dbraw/zinc/05/00/52/1432050052.db2.gz PFCYCSLUQKXXRM-QGZVFWFLSA-N 0 0 378.476 3.270 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccccc1N(C)Cc1ccccc1 ZINC000189133305 1432050054 /nfs/dbraw/zinc/05/00/54/1432050054.db2.gz PFCYCSLUQKXXRM-KRWDZBQOSA-N 0 0 378.476 3.270 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1c(C)cnn1[C@H]1CCCc2ccccc21 ZINC000189133253 1432050079 /nfs/dbraw/zinc/05/00/79/1432050079.db2.gz HJFXSTDLEOSXAB-KXBFYZLASA-N 0 0 393.491 3.064 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccnn1Cc1ccc(C(C)(C)C)cc1 ZINC000189131628 1432050190 /nfs/dbraw/zinc/05/01/90/1432050190.db2.gz WQBIRIRDXOKOQX-INIZCTEOSA-N 0 0 395.507 3.176 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000189134514 1432050619 /nfs/dbraw/zinc/05/06/19/1432050619.db2.gz LMVTZOALSMANJH-OAHLLOKOSA-N 0 0 376.416 3.297 20 30 GGEDRN CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N(CC)C[C@@H](C)C#N ZINC000189137658 1432050770 /nfs/dbraw/zinc/05/07/70/1432050770.db2.gz DSNKBDTXBNXVSR-LBPRGKRZSA-N 0 0 385.386 3.441 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 ZINC000189147859 1432052595 /nfs/dbraw/zinc/05/25/95/1432052595.db2.gz QVMMGUFHDOLHLO-MRXNPFEDSA-N 0 0 398.507 3.038 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000189163337 1432056282 /nfs/dbraw/zinc/05/62/82/1432056282.db2.gz KUSSNOOPTIUEOK-OAHLLOKOSA-N 0 0 390.443 3.365 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@@H](C)OC[C@H]3c3ccccc3)CC2)o1 ZINC000189168570 1432057145 /nfs/dbraw/zinc/05/71/45/1432057145.db2.gz HSVSJUGRPOUHGU-QRWLVFNGSA-N 0 0 394.475 3.060 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@H](C)OC[C@H]3c3ccccc3)CC2)o1 ZINC000189168545 1432057184 /nfs/dbraw/zinc/05/71/84/1432057184.db2.gz HSVSJUGRPOUHGU-YWZLYKJASA-N 0 0 394.475 3.060 20 30 GGEDRN N#C[C@@]1(NC(=O)c2cn(-c3cccc(Cl)c3)nn2)CCc2ccccc2C1 ZINC000189172404 1432057716 /nfs/dbraw/zinc/05/77/16/1432057716.db2.gz ZXEMMXGQMVXJHY-HXUWFJFHSA-N 0 0 377.835 3.102 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)NCc2ccc(Cl)cc2F)c1 ZINC000189173401 1432057993 /nfs/dbraw/zinc/05/79/93/1432057993.db2.gz PXVZRQFQJBQLOG-UHFFFAOYSA-N 0 0 389.814 3.417 20 30 GGEDRN N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1O ZINC000189177613 1432058325 /nfs/dbraw/zinc/05/83/25/1432058325.db2.gz LNTDPPRPODDAFI-OAHLLOKOSA-N 0 0 390.226 3.106 20 30 GGEDRN C=CCN(C(=O)Nc1cccnc1-c1csc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000189186075 1432059903 /nfs/dbraw/zinc/05/99/03/1432059903.db2.gz QVGICIKRKMZHIN-HNNXBMFYSA-N 0 0 391.518 3.326 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(N(C)C)c(Cl)c3)CC2)o1 ZINC000189186248 1432060070 /nfs/dbraw/zinc/06/00/70/1432060070.db2.gz SEUGDEFJHKDPLK-UHFFFAOYSA-N 0 0 387.871 3.429 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N(C)Cc3cc4ccccc4o3)CC2)o1 ZINC000189198227 1432061595 /nfs/dbraw/zinc/06/15/95/1432061595.db2.gz CMAZQPAEQQPJAQ-UHFFFAOYSA-N 0 0 378.432 3.476 20 30 GGEDRN C=CCN(Cc1ccccc1F)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000189205392 1432063064 /nfs/dbraw/zinc/06/30/64/1432063064.db2.gz YHWFEEQZUZBUHD-UHFFFAOYSA-N 0 0 382.439 3.425 20 30 GGEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000189210653 1432064025 /nfs/dbraw/zinc/06/40/25/1432064025.db2.gz URWRXWZYFSQWGX-CYBMUJFWSA-N 0 0 378.316 3.057 20 30 GGEDRN C=CCC[C@H](C(=O)NCc1ccc(S(=O)(=O)NCC)cc1)c1ccccc1 ZINC000189213376 1432064286 /nfs/dbraw/zinc/06/42/86/1432064286.db2.gz WLPZKTIXDLMKGJ-FQEVSTJZSA-N 0 0 386.517 3.351 20 30 GGEDRN C=CCC[C@@H](C(=O)NCc1ccc(S(=O)(=O)NCC)cc1)c1ccccc1 ZINC000189213401 1432064448 /nfs/dbraw/zinc/06/44/48/1432064448.db2.gz WLPZKTIXDLMKGJ-HXUWFJFHSA-N 0 0 386.517 3.351 20 30 GGEDRN CCS[C@H]1CCC[C@@H](NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000189215249 1432064843 /nfs/dbraw/zinc/06/48/43/1432064843.db2.gz ANRUXVUWWCYDSF-CVEARBPZSA-N 0 0 376.526 3.252 20 30 GGEDRN COC(=O)[C@@](C)(NC(=O)c1ccc(C#N)c(O)c1)c1ccc(Cl)c(Cl)c1 ZINC000189222215 1432065667 /nfs/dbraw/zinc/06/56/67/1432065667.db2.gz LRGJTYASQABCLS-SFHVURJKSA-N 0 0 393.226 3.389 20 30 GGEDRN N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1O ZINC000189223466 1432066034 /nfs/dbraw/zinc/06/60/34/1432066034.db2.gz FQCIUJHAVRGKPC-AWEZNQCLSA-N 0 0 375.350 3.291 20 30 GGEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C(=O)Nc2cccnc2)cc1 ZINC000189223050 1432066263 /nfs/dbraw/zinc/06/62/63/1432066263.db2.gz RMLAIJMVGNUMJX-UHFFFAOYSA-N 0 0 388.402 3.260 20 30 GGEDRN C=CCCN(OCc1ccccc1)S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000189227707 1432067101 /nfs/dbraw/zinc/06/71/01/1432067101.db2.gz MEFIWKOLWAPPDL-UHFFFAOYSA-N 0 0 389.399 3.144 20 30 GGEDRN C=CCCN(OCc1ccccc1)S(=O)(=O)c1cnc2onc(CC)c2c1 ZINC000189231233 1432067762 /nfs/dbraw/zinc/06/77/62/1432067762.db2.gz XRJJDZDSCNURAQ-UHFFFAOYSA-N 0 0 387.461 3.484 20 30 GGEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC([C@H]2CCCO2)CC1 ZINC000189240574 1432069861 /nfs/dbraw/zinc/06/98/61/1432069861.db2.gz YNZBPZBRCYABQS-FXAWDEMLSA-N 0 0 385.508 3.221 20 30 GGEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC([C@H]2CCCO2)CC1 ZINC000189240593 1432069950 /nfs/dbraw/zinc/06/99/50/1432069950.db2.gz YNZBPZBRCYABQS-YLJYHZDGSA-N 0 0 385.508 3.221 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(-c3ccccc3)cc2)c1 ZINC000189244618 1432070311 /nfs/dbraw/zinc/07/03/11/1432070311.db2.gz LEKMZJWVIKMJTE-UHFFFAOYSA-N 0 0 397.434 3.028 20 30 GGEDRN C=CC[C@H](OC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1ccccc1 ZINC000189246623 1432070746 /nfs/dbraw/zinc/07/07/46/1432070746.db2.gz ISCSXDGZJZYZID-IBGZPJMESA-N 0 0 398.484 3.442 20 30 GGEDRN C=CC[C@@H](OC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1ccccc1 ZINC000189246646 1432071026 /nfs/dbraw/zinc/07/10/26/1432071026.db2.gz ISCSXDGZJZYZID-LJQANCHMSA-N 0 0 398.484 3.442 20 30 GGEDRN C[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000189287006 1432078786 /nfs/dbraw/zinc/07/87/86/1432078786.db2.gz NRBGLZWTTFLLEX-CYBMUJFWSA-N 0 0 389.377 3.227 20 30 GGEDRN Cc1csc([C@H]2COCCN2CC(=O)N(CCC#N)c2ccc(C)c(C)c2)n1 ZINC000189295051 1432080186 /nfs/dbraw/zinc/08/01/86/1432080186.db2.gz SEEFTYXGTVMEPX-LJQANCHMSA-N 0 0 398.532 3.389 20 30 GGEDRN C=CCOc1ccc(CNc2ccc3c(c2)CCN3C(=O)COC)cc1OC ZINC000189299299 1432081484 /nfs/dbraw/zinc/08/14/84/1432081484.db2.gz TYMGEUBWXBMJFR-UHFFFAOYSA-N 0 0 382.460 3.408 20 30 GGEDRN COc1ccc([C@H]2CCN(C(=O)C3CCN(c4oc(C)nc4C#N)CC3)C2)cc1 ZINC000189306041 1432082378 /nfs/dbraw/zinc/08/23/78/1432082378.db2.gz MGPZHFFCLHYQNR-SFHVURJKSA-N 0 0 394.475 3.096 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCCOc4ccccc43)CC2)o1 ZINC000189308259 1432083120 /nfs/dbraw/zinc/08/31/20/1432083120.db2.gz VEMKXBJPRXPBBX-KRWDZBQOSA-N 0 0 380.448 3.101 20 30 GGEDRN CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC1(c2ccccc2)CC1 ZINC000189313264 1432084412 /nfs/dbraw/zinc/08/44/12/1432084412.db2.gz CLOFDNRGQNUHLT-UHFFFAOYSA-N 0 0 385.471 3.346 20 30 GGEDRN C[C@H](c1cccc(C#N)c1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000189347441 1432090586 /nfs/dbraw/zinc/09/05/86/1432090586.db2.gz KJXOQPUEQILCMX-QGZVFWFLSA-N 0 0 378.476 3.026 20 30 GGEDRN C=CCN(CCOC)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000189349785 1432091337 /nfs/dbraw/zinc/09/13/37/1432091337.db2.gz GLUWTTNMKDNSBC-OAHLLOKOSA-N 0 0 383.439 3.101 20 30 GGEDRN C[C@H](C1CC1)n1cc(NC(=O)C(=O)Nc2ccccc2SCCC#N)cn1 ZINC000189352178 1432091590 /nfs/dbraw/zinc/09/15/90/1432091590.db2.gz DJRYFWKXEXXVFL-CYBMUJFWSA-N 0 0 383.477 3.437 20 30 GGEDRN N#CCN(C(=O)CS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000189354604 1432091911 /nfs/dbraw/zinc/09/19/11/1432091911.db2.gz UUXTYKJSBIYALE-UHFFFAOYSA-N 0 0 382.363 3.036 20 30 GGEDRN COc1cc(C)ccc1NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000189353188 1432092000 /nfs/dbraw/zinc/09/20/00/1432092000.db2.gz FHRWJCGMVKDEMN-UHFFFAOYSA-N 0 0 377.322 3.471 20 30 GGEDRN CCS[C@@H]1CCCCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000189373465 1432094980 /nfs/dbraw/zinc/09/49/80/1432094980.db2.gz BPHCQSVEPKOOFX-MRXNPFEDSA-N 0 0 376.526 3.205 20 30 GGEDRN C[C@H](Sc1nnc(N2CCOCC2)n1Cc1ccco1)c1cccc(C#N)c1 ZINC000189373025 1432095115 /nfs/dbraw/zinc/09/51/15/1432095115.db2.gz ORVQOACVVGTYAU-HNNXBMFYSA-N 0 0 395.488 3.481 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](Cc3ccccc3)C3CC3)CC2)o1 ZINC000189409373 1432101095 /nfs/dbraw/zinc/10/10/95/1432101095.db2.gz ILLWBMIOHCIJEQ-IBGZPJMESA-N 0 0 378.476 3.209 20 30 GGEDRN C=CCOc1ccccc1CNC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000189413726 1432102383 /nfs/dbraw/zinc/10/23/83/1432102383.db2.gz FEJYCZDPKRHYDO-QGZVFWFLSA-N 0 0 379.378 3.490 20 30 GGEDRN CC(C)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1Cl ZINC000189448007 1432115517 /nfs/dbraw/zinc/11/55/17/1432115517.db2.gz PRGDLZOBJZKLOW-CQSZACIVSA-N 0 0 383.883 3.476 20 30 GGEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCOC[C@H]1CC(=O)c1ccco1 ZINC000189452410 1432116275 /nfs/dbraw/zinc/11/62/75/1432116275.db2.gz UULOKQMEBBTFJJ-MRXNPFEDSA-N 0 0 391.345 3.150 20 30 GGEDRN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000189463316 1432121261 /nfs/dbraw/zinc/12/12/61/1432121261.db2.gz MSHDQNCVMUFCFX-ZVZYQTTQSA-N 0 0 383.452 3.236 20 30 GGEDRN C=CCN(C(=O)Nc1cccnc1-c1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000189467224 1432122546 /nfs/dbraw/zinc/12/25/46/1432122546.db2.gz MPNCOLXGFOLSAZ-AWEZNQCLSA-N 0 0 391.518 3.326 20 30 GGEDRN N#Cc1cc(NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)ccc1Oc1ccccc1 ZINC000189477429 1432127681 /nfs/dbraw/zinc/12/76/81/1432127681.db2.gz UUQCXQTZACZYIJ-OAHLLOKOSA-N 0 0 390.443 3.483 20 30 GGEDRN C[C@@H](CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CC(C)(C)C ZINC000189480376 1432129031 /nfs/dbraw/zinc/12/90/31/1432129031.db2.gz YZTFAUXJPLFHEH-MAUKXSAKSA-N 0 0 398.507 3.342 20 30 GGEDRN CC(=O)N1CCN(c2cccc(NCc3ccc(N(C)CCC#N)cc3)c2)CC1 ZINC000189486063 1432131611 /nfs/dbraw/zinc/13/16/11/1432131611.db2.gz VVUSQDXSSDHZNK-UHFFFAOYSA-N 0 0 391.519 3.317 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N(CCc2ccccc2)Cc2cccnc2)c1C#N ZINC000189488066 1432132283 /nfs/dbraw/zinc/13/22/83/1432132283.db2.gz BQUUEAPJPDNROD-UHFFFAOYSA-N 0 0 398.466 3.472 20 30 GGEDRN Cc1ccccc1CN(Cc1cccnc1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000189489923 1432132924 /nfs/dbraw/zinc/13/29/24/1432132924.db2.gz JMEQUZSPAZSQQX-UHFFFAOYSA-N 0 0 384.439 3.429 20 30 GGEDRN CCOCCC1(CNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CCCC1 ZINC000189508488 1432140703 /nfs/dbraw/zinc/14/07/03/1432140703.db2.gz IXTQKXWXEIVBQK-UHFFFAOYSA-N 0 0 388.512 3.174 20 30 GGEDRN Cc1cc2c(ncnc2N2CCN(CCOc3ccccc3C#N)CC2)s1 ZINC000189519587 1432146346 /nfs/dbraw/zinc/14/63/46/1432146346.db2.gz QMPLIIUQCHGITO-UHFFFAOYSA-N 0 0 379.489 3.072 20 30 GGEDRN N#CCSc1ccccc1NC(=O)Cn1ccnc1[C@@H](O)c1ccc(F)cc1 ZINC000189533946 1432151626 /nfs/dbraw/zinc/15/16/26/1432151626.db2.gz AENCXRQLJBHTSO-IBGZPJMESA-N 0 0 396.447 3.358 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(c1cccc(N)c1)C1CCCC1 ZINC000189572943 1432163796 /nfs/dbraw/zinc/16/37/96/1432163796.db2.gz SCNMKKARCCWEBH-OAHLLOKOSA-N 0 0 392.459 3.474 20 30 GGEDRN C[C@H](CNc1ccccc1)NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000189608269 1432175096 /nfs/dbraw/zinc/17/50/96/1432175096.db2.gz AYEFGIBJUWIXOU-JKSUJKDBSA-N 0 0 396.516 3.494 20 30 GGEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000189616353 1432178593 /nfs/dbraw/zinc/17/85/93/1432178593.db2.gz CCIJMPKKSWDNMH-SFHVURJKSA-N 0 0 381.407 3.446 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNS(=O)(=O)CCc2cccs2)ccc1OC ZINC000189618336 1432179084 /nfs/dbraw/zinc/17/90/84/1432179084.db2.gz POWDQJOOWYBDDM-OAHLLOKOSA-N 0 0 394.518 3.100 20 30 GGEDRN COC(=O)[C@H]1CC[C@@H](C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)O1 ZINC000189618295 1432179598 /nfs/dbraw/zinc/17/95/98/1432179598.db2.gz NMIKKKBKSWWKHA-RBUKOAKNSA-N 0 0 398.846 3.465 20 30 GGEDRN N#Cc1ccccc1N1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189628764 1432184142 /nfs/dbraw/zinc/18/41/42/1432184142.db2.gz CSHKPTRNQRFRHU-UHFFFAOYSA-N 0 0 375.451 3.264 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC2CCC3(CCCCC3)CC2)n1 ZINC000189631030 1432184878 /nfs/dbraw/zinc/18/48/78/1432184878.db2.gz QPNNLOJEJKKYDY-UHFFFAOYSA-N 0 0 385.512 3.458 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)Nc1cccc(CS(=O)(=O)N[C@H](C)CC)c1 ZINC000189639309 1432187153 /nfs/dbraw/zinc/18/71/53/1432187153.db2.gz MEZOVFFPJCUKQB-DNVCBOLYSA-N 0 0 382.526 3.072 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)Nc1cccc(CS(=O)(=O)N[C@@H](C)CC)c1 ZINC000189639364 1432188251 /nfs/dbraw/zinc/18/82/51/1432188251.db2.gz MEZOVFFPJCUKQB-KXBFYZLASA-N 0 0 382.526 3.072 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 ZINC000189664191 1432196710 /nfs/dbraw/zinc/19/67/10/1432196710.db2.gz BYYBWKXORGPSNX-VQTJNVASSA-N 0 0 384.476 3.021 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)Nc2cccc(Oc3ccccn3)c2)ccc1F ZINC000189700959 1432208922 /nfs/dbraw/zinc/20/89/22/1432208922.db2.gz LQPSTOMKYWKUAF-UHFFFAOYSA-N 0 0 376.347 3.462 20 30 GGEDRN CCOC(=O)[C@](C)(CNC(=O)NCc1cc(C#N)ccc1F)c1ccccc1 ZINC000189704305 1432209575 /nfs/dbraw/zinc/20/95/75/1432209575.db2.gz RZIJDCNOUOHSRF-OAQYLSRUSA-N 0 0 383.423 3.018 20 30 GGEDRN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)CCOCC(F)(F)C(F)F ZINC000189713894 1432211921 /nfs/dbraw/zinc/21/19/21/1432211921.db2.gz WUOOJWPNKJCMQF-LBPRGKRZSA-N 0 0 391.283 3.167 20 30 GGEDRN C[C@H](C1CC1)n1cc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000189723753 1432215690 /nfs/dbraw/zinc/21/56/90/1432215690.db2.gz TWAYRJLFMKQLKW-QGZVFWFLSA-N 0 0 392.507 3.466 20 30 GGEDRN Cc1ccccc1C[C@H](CO)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000189746168 1432222342 /nfs/dbraw/zinc/22/23/42/1432222342.db2.gz NUDDJEZYXVFAMN-LJQANCHMSA-N 0 0 390.405 3.268 20 30 GGEDRN Cc1ncsc1CN(C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000189759174 1432226119 /nfs/dbraw/zinc/22/61/19/1432226119.db2.gz GZNPDBASJKKQHM-GFCCVEGCSA-N 0 0 388.518 3.443 20 30 GGEDRN N#Cc1cc(F)ccc1NC(=O)C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000189758829 1432226491 /nfs/dbraw/zinc/22/64/91/1432226491.db2.gz DUWPBIAJZAFLPN-UHFFFAOYSA-N 0 0 395.434 3.091 20 30 GGEDRN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H](C)c1cccc(C#N)c1 ZINC000189778077 1432232780 /nfs/dbraw/zinc/23/27/80/1432232780.db2.gz KEBKKYACCMSHHI-SFHVURJKSA-N 0 0 392.503 3.416 20 30 GGEDRN COC(=O)[C@](C)(CNC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccccc1 ZINC000189780403 1432233237 /nfs/dbraw/zinc/23/32/37/1432233237.db2.gz UYFHBQAQXSHTAR-SIKLNZKXSA-N 0 0 379.460 3.462 20 30 GGEDRN N#Cc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1O ZINC000189793989 1432237144 /nfs/dbraw/zinc/23/71/44/1432237144.db2.gz PQTRAEXIGMFUGZ-UHFFFAOYSA-N 0 0 375.350 3.245 20 30 GGEDRN C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@H]1CO ZINC000189799917 1432238828 /nfs/dbraw/zinc/23/88/28/1432238828.db2.gz FOPQDFDMFCXRMB-KUHUBIRLSA-N 0 0 378.432 3.045 20 30 GGEDRN N#CCCN(Cc1cccnc1)S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000189808880 1432241252 /nfs/dbraw/zinc/24/12/52/1432241252.db2.gz JFUUXXFRVPPNSY-UHFFFAOYSA-N 0 0 383.395 3.291 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000189817905 1432243628 /nfs/dbraw/zinc/24/36/28/1432243628.db2.gz WHUHLHIHOIZVIB-AUUYWEPGSA-N 0 0 397.862 3.447 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000189817856 1432243724 /nfs/dbraw/zinc/24/37/24/1432243724.db2.gz WHUHLHIHOIZVIB-IFXJQAMLSA-N 0 0 397.862 3.447 20 30 GGEDRN C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000189819709 1432244185 /nfs/dbraw/zinc/24/41/85/1432244185.db2.gz DAETWPLLVIXBBP-UGSOOPFHSA-N 0 0 383.835 3.139 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000189821036 1432244630 /nfs/dbraw/zinc/24/46/30/1432244630.db2.gz NCMZTDFVTPRGMK-YJYMSZOUSA-N 0 0 397.862 3.447 20 30 GGEDRN C[C@@H](Sc1nnc(CCC(N)=O)n1Cc1ccco1)c1cccc(C#N)c1 ZINC000189829170 1432246866 /nfs/dbraw/zinc/24/68/66/1432246866.db2.gz DKJIKBCXRNDZEW-CYBMUJFWSA-N 0 0 381.461 3.062 20 30 GGEDRN COc1ccc(Cn2ccc(NC(=O)NCc3ccc(OCC#N)cc3)n2)cc1 ZINC000189845912 1432251948 /nfs/dbraw/zinc/25/19/48/1432251948.db2.gz YMELWXLMURDMCJ-UHFFFAOYSA-N 0 0 391.431 3.164 20 30 GGEDRN Cc1cc(C(F)(F)F)ccc1CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000189848373 1432252640 /nfs/dbraw/zinc/25/26/40/1432252640.db2.gz UDGKOZYIYNHWTF-UHFFFAOYSA-N 0 0 391.393 3.440 20 30 GGEDRN CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N)Cc1ccccc1 ZINC000189848822 1432252658 /nfs/dbraw/zinc/25/26/58/1432252658.db2.gz CREMCQWHZDIBAJ-KRWDZBQOSA-N 0 0 397.450 3.298 20 30 GGEDRN COc1ccc([C@@H](CNC(=O)c2ccc(C#N)c([O-])c2)[NH+]2CCCCC2)cc1 ZINC000189849188 1432252973 /nfs/dbraw/zinc/25/29/73/1432252973.db2.gz YWTOJEWZNRVCPG-HXUWFJFHSA-N 0 0 379.460 3.229 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)Oc2c(Cl)cccc21 ZINC000189853709 1432253906 /nfs/dbraw/zinc/25/39/06/1432253906.db2.gz XAMYXBWUVVZLDU-NSHDSACASA-N 0 0 385.851 3.264 20 30 GGEDRN Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)Cc3ccc(C#N)cc3)c12 ZINC000189863849 1432256922 /nfs/dbraw/zinc/25/69/22/1432256922.db2.gz PGUBZFQLWNYZHH-GOSISDBHSA-N 0 0 389.459 3.280 20 30 GGEDRN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000189869153 1432257855 /nfs/dbraw/zinc/25/78/55/1432257855.db2.gz IVXHSKUERCDCIH-ZLDLUXBVSA-N 0 0 377.391 3.278 20 30 GGEDRN CC(C)[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)Cc1ccccc1 ZINC000189867773 1432257982 /nfs/dbraw/zinc/25/79/82/1432257982.db2.gz OGQUVJUGLPYKIE-QGZVFWFLSA-N 0 0 395.507 3.079 20 30 GGEDRN CC#CCNC(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 ZINC000189874255 1432259173 /nfs/dbraw/zinc/25/91/73/1432259173.db2.gz FGBQKZHGKGICRK-AWEZNQCLSA-N 0 0 387.871 3.498 20 30 GGEDRN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000189884427 1432262747 /nfs/dbraw/zinc/26/27/47/1432262747.db2.gz VPRACKMATFTRIX-UHFFFAOYSA-N 0 0 391.349 3.053 20 30 GGEDRN N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)n1 ZINC000189890347 1432264450 /nfs/dbraw/zinc/26/44/50/1432264450.db2.gz IMELTVLWIJSMKT-HXUWFJFHSA-N 0 0 399.454 3.206 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)Nc1ncnc2c1c(C)c(C)n2C[C@H]1CCCO1 ZINC000189891626 1432264900 /nfs/dbraw/zinc/26/49/00/1432264900.db2.gz FTHVGPBGEMRKTO-IERDGZPVSA-N 0 0 386.496 3.394 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)Nc1ncnc2c1c(C)c(C)n2C[C@@H]1CCCO1 ZINC000189891598 1432265151 /nfs/dbraw/zinc/26/51/51/1432265151.db2.gz FTHVGPBGEMRKTO-KKSFZXQISA-N 0 0 386.496 3.394 20 30 GGEDRN COC(=O)[C@H](NCc1ccc(C)nc1-n1cc(Cl)cn1)c1cccc(C#N)c1 ZINC000189895885 1432266042 /nfs/dbraw/zinc/26/60/42/1432266042.db2.gz YLINJCLBAYYSMW-GOSISDBHSA-N 0 0 395.850 3.105 20 30 GGEDRN COC(=O)[C@@H](NCc1ccc(C)nc1-n1cc(Cl)cn1)c1cccc(C#N)c1 ZINC000189895867 1432266220 /nfs/dbraw/zinc/26/62/20/1432266220.db2.gz YLINJCLBAYYSMW-SFHVURJKSA-N 0 0 395.850 3.105 20 30 GGEDRN C=CCCN(OCc1ccccc1)C(=O)c1cc(S(=O)(=O)NC)ccc1C ZINC000189900758 1432267487 /nfs/dbraw/zinc/26/74/87/1432267487.db2.gz HGYVNDYXBAFTSN-UHFFFAOYSA-N 0 0 388.489 3.053 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H](c4ccccc4)[C@H]3C)CC2)o1 ZINC000189906317 1432269054 /nfs/dbraw/zinc/26/90/54/1432269054.db2.gz PCDLXFPUZZVKFE-DNVCBOLYSA-N 0 0 378.476 3.476 20 30 GGEDRN C=CCCN(OCc1ccccc1)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000189906405 1432269057 /nfs/dbraw/zinc/26/90/57/1432269057.db2.gz DNWQVFFBFRLOLL-UHFFFAOYSA-N 0 0 389.455 3.442 20 30 GGEDRN CCC(C)(C)N(CCC#N)C(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O ZINC000189907682 1432269435 /nfs/dbraw/zinc/26/94/35/1432269435.db2.gz IQUPEGJSSVXIOS-IBGZPJMESA-N 0 0 386.471 3.285 20 30 GGEDRN CCC(C)(C)N(CCC#N)C(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O ZINC000189907666 1432269447 /nfs/dbraw/zinc/26/94/47/1432269447.db2.gz IQUPEGJSSVXIOS-LJQANCHMSA-N 0 0 386.471 3.285 20 30 GGEDRN CCC(C)(C)N(CCC#N)C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000189910000 1432270611 /nfs/dbraw/zinc/27/06/11/1432270611.db2.gz NSJQNXRUVDDQSJ-UHFFFAOYSA-N 0 0 397.516 3.447 20 30 GGEDRN CCC(C)(C)N(CCC#N)C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 ZINC000189910531 1432270977 /nfs/dbraw/zinc/27/09/77/1432270977.db2.gz VLTRMJLUHTYPHF-UHFFFAOYSA-N 0 0 381.480 3.456 20 30 GGEDRN CCSc1cc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)ccn1 ZINC000189923304 1432274692 /nfs/dbraw/zinc/27/46/92/1432274692.db2.gz QVDRANKCFPSPIB-UHFFFAOYSA-N 0 0 382.489 3.250 20 30 GGEDRN CCC(C)(C)N(CCC#N)C(=O)[C@@H](C)CS(=O)(=O)c1ccc(OC)cc1 ZINC000189921869 1432274870 /nfs/dbraw/zinc/27/48/70/1432274870.db2.gz HXZMKDKJHCXCPV-HNNXBMFYSA-N 0 0 380.510 3.036 20 30 GGEDRN C=CCC[C@@H](C(=O)N[C@H]1CCCN(c2ccnn2CC)C1=O)c1ccccc1 ZINC000189925173 1432275690 /nfs/dbraw/zinc/27/56/90/1432275690.db2.gz NIIZXXWZHPDPLS-MOPGFXCFSA-N 0 0 380.492 3.265 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2ccnn2-c2cccc(F)c2)c1 ZINC000189927068 1432276715 /nfs/dbraw/zinc/27/67/15/1432276715.db2.gz KQHWDIDFUMZNGZ-UHFFFAOYSA-N 0 0 380.379 3.153 20 30 GGEDRN COc1ccc(S(=O)(=O)N2CCCN([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000189928101 1432277527 /nfs/dbraw/zinc/27/75/27/1432277527.db2.gz YSKRONINZCCJOZ-QGZVFWFLSA-N 0 0 399.516 3.024 20 30 GGEDRN COc1ccc(S(=O)(=O)N2CCCN([C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000189928085 1432277637 /nfs/dbraw/zinc/27/76/37/1432277637.db2.gz YSKRONINZCCJOZ-KRWDZBQOSA-N 0 0 399.516 3.024 20 30 GGEDRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(CCC#N)C(C)(C)CC)cc1 ZINC000189936811 1432280793 /nfs/dbraw/zinc/28/07/93/1432280793.db2.gz FFGBAAHYYIBNAL-HNNXBMFYSA-N 0 0 379.526 3.308 20 30 GGEDRN N#CCOc1ccc(CNS(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 ZINC000189940309 1432281817 /nfs/dbraw/zinc/28/18/17/1432281817.db2.gz KWDLBAIXPUEMEA-UHFFFAOYSA-N 0 0 384.379 3.172 20 30 GGEDRN CCC(C)(C)N(CCC#N)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000189945075 1432283874 /nfs/dbraw/zinc/28/38/74/1432283874.db2.gz JGQIJQIAEMEVRL-UHFFFAOYSA-N 0 0 397.566 3.006 20 30 GGEDRN N#CCC[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000189998828 1432301956 /nfs/dbraw/zinc/30/19/56/1432301956.db2.gz SCGHLXSZSLHRLS-LJQANCHMSA-N 0 0 380.404 3.412 20 30 GGEDRN COc1ccc([C@H](CO)N(C)C(=O)C#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000190019258 1432305985 /nfs/dbraw/zinc/30/59/85/1432305985.db2.gz SOIQPQRXAAJUIS-SFHVURJKSA-N 0 0 377.362 3.258 20 30 GGEDRN NC(Cn1cnc2ccccc21)=NOCc1ccccc1OCC(F)(F)F ZINC000190038032 1432308878 /nfs/dbraw/zinc/30/88/78/1432308878.db2.gz GQNFXAKOVKBWCD-UHFFFAOYSA-N 0 0 378.354 3.466 20 30 GGEDRN CCN(C(=O)CON=C(N)Cn1cnc2ccccc21)[C@@H](C)c1ccc(F)cc1 ZINC000190045935 1432310426 /nfs/dbraw/zinc/31/04/26/1432310426.db2.gz WRDMYNSNBCUBJJ-HNNXBMFYSA-N 0 0 397.454 3.074 20 30 GGEDRN Cc1cc(-c2noc(CON=C(N)Cn3cnc4ccccc43)n2)ccc1F ZINC000190047025 1432310554 /nfs/dbraw/zinc/31/05/54/1432310554.db2.gz RMXWUNAISQNZKW-UHFFFAOYSA-N 0 0 380.383 3.023 20 30 GGEDRN CSc1nnc(CCCNC(=O)c2ccc(C#N)c(O)c2)n1C1CCCC1 ZINC000190059642 1432312361 /nfs/dbraw/zinc/31/23/61/1432312361.db2.gz RLMABQJITLXRGA-UHFFFAOYSA-N 0 0 385.493 3.055 20 30 GGEDRN Cc1c(C(=O)Nc2ccccc2O[C@@H](C)C#N)nnn1Cc1ccc(F)cc1F ZINC000190092623 1432318454 /nfs/dbraw/zinc/31/84/54/1432318454.db2.gz OXJOBSMCQYVBES-LBPRGKRZSA-N 0 0 397.385 3.456 20 30 GGEDRN CC(C)c1cc(NC(=O)N(CCC#N)Cc2ccccn2)n(-c2ncccn2)n1 ZINC000190102237 1432320126 /nfs/dbraw/zinc/32/01/26/1432320126.db2.gz YNELOBLVLONDAE-UHFFFAOYSA-N 0 0 390.451 3.128 20 30 GGEDRN N#Cc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1O ZINC000190105321 1432320335 /nfs/dbraw/zinc/32/03/35/1432320335.db2.gz GERUYTFQOVUOKK-GOSISDBHSA-N 0 0 378.432 3.080 20 30 GGEDRN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000190108166 1432321055 /nfs/dbraw/zinc/32/10/55/1432321055.db2.gz IFIDYYQWCKFURD-FCEWJHQRSA-N 0 0 394.437 3.157 20 30 GGEDRN CCc1ccccc1CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N ZINC000190114061 1432322102 /nfs/dbraw/zinc/32/21/02/1432322102.db2.gz MGKCSAMJNCBAJX-UHFFFAOYSA-N 0 0 387.487 3.180 20 30 GGEDRN N#Cc1cc(F)ccc1CN1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190131320 1432325199 /nfs/dbraw/zinc/32/51/99/1432325199.db2.gz GCTZSIXGKQYZRB-KRWDZBQOSA-N 0 0 393.340 3.269 20 30 GGEDRN C=CCc1ccc(OCC(=O)N[C@H]2CCCO[C@@H]2c2nccn2CC)c(OC)c1 ZINC000190130707 1432325242 /nfs/dbraw/zinc/32/52/42/1432325242.db2.gz QICZTBXDXGLGMU-UWJYYQICSA-N 0 0 399.491 3.055 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(OCCCC)cc2O)c1 ZINC000190157661 1432330269 /nfs/dbraw/zinc/33/02/69/1432330269.db2.gz JHCPQMDQBQTODZ-UHFFFAOYSA-N 0 0 380.444 3.263 20 30 GGEDRN Cc1ccc(CN2CC[C@@H](NC(=O)Nc3ccccc3O[C@H](C)C#N)C2=O)cc1 ZINC000190173944 1432333451 /nfs/dbraw/zinc/33/34/51/1432333451.db2.gz MHIXGOZUGNCKHV-VQIMIIECSA-N 0 0 392.459 3.209 20 30 GGEDRN COc1ccccc1-c1nc(C2CCN(C(=O)c3ccc(C#N)cn3)CC2)no1 ZINC000190191150 1432337220 /nfs/dbraw/zinc/33/72/20/1432337220.db2.gz PMHWEKILXLCAMJ-UHFFFAOYSA-N 0 0 389.415 3.032 20 30 GGEDRN C=CCCO[C@H](C)C(=O)N1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000190194958 1432338009 /nfs/dbraw/zinc/33/80/09/1432338009.db2.gz AMKYISBEIKQFGH-OAHLLOKOSA-N 0 0 385.464 3.432 20 30 GGEDRN C=CCOCCCC(=O)N1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000190195361 1432338366 /nfs/dbraw/zinc/33/83/66/1432338366.db2.gz PIHFWJMNCACPOY-UHFFFAOYSA-N 0 0 385.464 3.434 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000190200460 1432339559 /nfs/dbraw/zinc/33/95/59/1432339559.db2.gz OYWGUPWVLIJDDJ-UHFFFAOYSA-N 0 0 376.334 3.381 20 30 GGEDRN C=CCn1c(-c2ccccc2C)nn(CN2C[C@H](C)O[C@H](COC)C2)c1=S ZINC000190205200 1432340882 /nfs/dbraw/zinc/34/08/82/1432340882.db2.gz ZDFMQJLWHMHNEI-IRXDYDNUSA-N 0 0 388.537 3.269 20 30 GGEDRN CCOC(=O)c1csc([C@H]2CCCN2C(=O)CCc2ccc(C#N)cc2)n1 ZINC000190208374 1432341576 /nfs/dbraw/zinc/34/15/76/1432341576.db2.gz FYRIONVTWHAEQN-QGZVFWFLSA-N 0 0 383.473 3.488 20 30 GGEDRN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)CCc2ccc(C#N)cc2)n1 ZINC000190208343 1432341639 /nfs/dbraw/zinc/34/16/39/1432341639.db2.gz FYRIONVTWHAEQN-KRWDZBQOSA-N 0 0 383.473 3.488 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000190212920 1432342326 /nfs/dbraw/zinc/34/23/26/1432342326.db2.gz BKJGVACAUMHKJP-YVEFUNNKSA-N 0 0 388.361 3.443 20 30 GGEDRN C=CCC1(C(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c2)CCC1 ZINC000190214212 1432342427 /nfs/dbraw/zinc/34/24/27/1432342427.db2.gz PRKDGAORDHEBNY-ZDUSSCGKSA-N 0 0 376.428 3.192 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000190221692 1432343825 /nfs/dbraw/zinc/34/38/25/1432343825.db2.gz MBKLMCUQPQIZRV-IBGZPJMESA-N 0 0 389.459 3.050 20 30 GGEDRN Cc1cnccc1CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000190230094 1432345088 /nfs/dbraw/zinc/34/50/88/1432345088.db2.gz SICIUNQCVZVMFL-UHFFFAOYSA-N 0 0 386.411 3.309 20 30 GGEDRN N#CCCN(CC1CC1)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000190243276 1432347631 /nfs/dbraw/zinc/34/76/31/1432347631.db2.gz CLWCSNKHIBNQHH-UHFFFAOYSA-N 0 0 388.427 3.441 20 30 GGEDRN Cc1cc(NC(=O)COc2ccc(C#N)c(Cl)c2)n(-c2nc(C)cc(C)n2)n1 ZINC000190269463 1432351263 /nfs/dbraw/zinc/35/12/63/1432351263.db2.gz BRRADAHWNYPBFP-UHFFFAOYSA-N 0 0 396.838 3.130 20 30 GGEDRN C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000190270005 1432351299 /nfs/dbraw/zinc/35/12/99/1432351299.db2.gz QECWXXAXGNTVGL-SNVBAGLBSA-N 0 0 395.312 3.108 20 30 GGEDRN CCC[C@@H]1[C@H](C)CCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190274672 1432351870 /nfs/dbraw/zinc/35/18/70/1432351870.db2.gz OVXJDYFDJJVION-NSISKUIASA-N 0 0 382.508 3.269 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C)Oc2ccc(C#N)c(Cl)c2)cc1OC ZINC000190276497 1432352203 /nfs/dbraw/zinc/35/22/03/1432352203.db2.gz SNYMAIKIWNQMIA-ZDUSSCGKSA-N 0 0 388.851 3.355 20 30 GGEDRN C[C@@H](c1ccco1)N(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 ZINC000190288315 1432353725 /nfs/dbraw/zinc/35/37/25/1432353725.db2.gz CABXWJMMGJHOMA-HNAYVOBHSA-N 0 0 392.459 3.187 20 30 GGEDRN CN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCC(C)(C)CC1 ZINC000190288714 1432353836 /nfs/dbraw/zinc/35/38/36/1432353836.db2.gz CFMOFFSNOGWJMO-IBGZPJMESA-N 0 0 382.508 3.269 20 30 GGEDRN C[C@@H](c1nccs1)N1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000190305902 1432356716 /nfs/dbraw/zinc/35/67/16/1432356716.db2.gz CFHAYFVJHHLOPV-AWEZNQCLSA-N 0 0 393.434 3.419 20 30 GGEDRN N#C[C@]1(NC(=O)CCOCC(F)(F)C(F)(F)F)CCc2ccccc2C1 ZINC000190345368 1432365192 /nfs/dbraw/zinc/36/51/92/1432365192.db2.gz MPCASVIGWCYGJY-HNNXBMFYSA-N 0 0 376.325 3.158 20 30 GGEDRN CCOc1ccc(-c2nnc([N-]S(=O)(=O)c3cc(C#N)ccc3C)o2)cc1 ZINC000190347913 1432365606 /nfs/dbraw/zinc/36/56/06/1432365606.db2.gz DKZIVFUOGCAQQF-UHFFFAOYSA-N 0 0 384.417 3.116 20 30 GGEDRN Cc1n[nH]c(C)c1NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000190385657 1432371408 /nfs/dbraw/zinc/37/14/08/1432371408.db2.gz HIVKEGFZKTXHPJ-UHFFFAOYSA-N 0 0 375.388 3.268 20 30 GGEDRN Cc1ccc([C@@H]2CSCCN2C(=O)C(=O)Nc2ccc(C#N)cc2F)cc1 ZINC000190397492 1432373387 /nfs/dbraw/zinc/37/33/87/1432373387.db2.gz ODIGGSKZKJBIBV-SFHVURJKSA-N 0 0 383.448 3.261 20 30 GGEDRN Cc1ccc([C@@H]2CSCCN2C(=O)C(=O)Nc2cccc(C)c2C#N)cc1 ZINC000190397798 1432373445 /nfs/dbraw/zinc/37/34/45/1432373445.db2.gz MIWGVKQUECJDOS-IBGZPJMESA-N 0 0 379.485 3.430 20 30 GGEDRN Cc1ccc([C@@H]2CSCCN2C(=O)C(=O)Nc2cccc(C#N)c2C)cc1 ZINC000190400817 1432374253 /nfs/dbraw/zinc/37/42/53/1432374253.db2.gz SMMFZUZNZXJCBM-IBGZPJMESA-N 0 0 379.485 3.430 20 30 GGEDRN N#C[C@@H]1CN(C(=O)[C@@H]2CCCc3c(O)cccc32)CCN1Cc1ccccc1 ZINC000190432851 1432380831 /nfs/dbraw/zinc/38/08/31/1432380831.db2.gz QNFSUDIQVXPKJU-WIYYLYMNSA-N 0 0 375.472 3.049 20 30 GGEDRN Cn1ccc2cccc(NC(=O)C(=O)NCCSCc3ccccc3C#N)c21 ZINC000190455575 1432385596 /nfs/dbraw/zinc/38/55/96/1432385596.db2.gz XJCUYYMWAXTBOL-UHFFFAOYSA-N 0 0 392.484 3.038 20 30 GGEDRN CC#CCNC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000190501228 1432393617 /nfs/dbraw/zinc/39/36/17/1432393617.db2.gz LCWCPVXHABRAJL-UHFFFAOYSA-N 0 0 377.375 3.244 20 30 GGEDRN C[C@@H]1CN(c2ccccc2F)CCN1C(=O)NCc1ccc(OCC#N)cc1 ZINC000190501613 1432393780 /nfs/dbraw/zinc/39/37/80/1432393780.db2.gz QMGLONAGIQYPOA-MRXNPFEDSA-N 0 0 382.439 3.148 20 30 GGEDRN CN(C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(F)cc1 ZINC000190506513 1432394558 /nfs/dbraw/zinc/39/45/58/1432394558.db2.gz RURLDWHZFFEWIB-UHFFFAOYSA-N 0 0 395.394 3.324 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)NC2CCC3(CCCCC3)CC2)cc1 ZINC000190513614 1432395679 /nfs/dbraw/zinc/39/56/79/1432395679.db2.gz DQZVQMZEOKPNMF-UHFFFAOYSA-N 0 0 388.533 3.482 20 30 GGEDRN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC(Oc2ccc(F)nc2)CC1 ZINC000190522701 1432397859 /nfs/dbraw/zinc/39/78/59/1432397859.db2.gz AIUIPWJCIMNDGT-UHFFFAOYSA-N 0 0 388.830 3.228 20 30 GGEDRN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(C#N)cc1 ZINC000190532069 1432398831 /nfs/dbraw/zinc/39/88/31/1432398831.db2.gz ZBJBAGRSVVXABA-ZDUSSCGKSA-N 0 0 394.880 3.104 20 30 GGEDRN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000190549622 1432404226 /nfs/dbraw/zinc/40/42/26/1432404226.db2.gz SKJOIYBJMYHZJI-KRWDZBQOSA-N 0 0 396.466 3.399 20 30 GGEDRN CN(C(=O)C(=O)Nc1cc(C#N)ccc1Cl)[C@@H]1CCCN(c2ccccc2)C1 ZINC000190604244 1432417486 /nfs/dbraw/zinc/41/74/86/1432417486.db2.gz FAYMEEMIUDFZLK-QGZVFWFLSA-N 0 0 396.878 3.278 20 30 GGEDRN C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nc2c(s1)CCCC2 ZINC000190614648 1432420736 /nfs/dbraw/zinc/42/07/36/1432420736.db2.gz RSYJOEJCOZOSBA-KSSFIOAISA-N 0 0 380.517 3.345 20 30 GGEDRN CC(=O)N(Cc1ccc(NC(=O)C(=O)Nc2cc(C#N)ccc2C)cc1)C(C)C ZINC000190618397 1432422110 /nfs/dbraw/zinc/42/21/10/1432422110.db2.gz RHAKMPYZEZXPJX-UHFFFAOYSA-N 0 0 392.459 3.201 20 30 GGEDRN C=CCC(CC=C)C(=O)N1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190625749 1432424422 /nfs/dbraw/zinc/42/44/22/1432424422.db2.gz AIJOLZHELVYKJX-MRXNPFEDSA-N 0 0 382.382 3.353 20 30 GGEDRN C=CCC(CC=C)C(=O)N1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190625731 1432424438 /nfs/dbraw/zinc/42/44/38/1432424438.db2.gz AIJOLZHELVYKJX-INIZCTEOSA-N 0 0 382.382 3.353 20 30 GGEDRN CCOC(=O)c1csc(CCNC(=O)Nc2ccc(C(C)(C)C#N)cc2)n1 ZINC000190632928 1432427178 /nfs/dbraw/zinc/42/71/78/1432427178.db2.gz OWOZNSKMLDCVFM-UHFFFAOYSA-N 0 0 386.477 3.485 20 30 GGEDRN CC[C@](C)(O)CN(Cc1ccccc1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000190655395 1432432884 /nfs/dbraw/zinc/43/28/84/1432432884.db2.gz ZCBQFGFXLCRRAU-IBGZPJMESA-N 0 0 394.443 3.188 20 30 GGEDRN CC1(C)CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC[C@@H]1C(F)(F)F ZINC000190657939 1432433387 /nfs/dbraw/zinc/43/33/87/1432433387.db2.gz LCUWWUSKEXQXET-HNNXBMFYSA-N 0 0 391.397 3.377 20 30 GGEDRN N#Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1[O-] ZINC000190694074 1432444387 /nfs/dbraw/zinc/44/43/87/1432444387.db2.gz PXKAVERRUMMCKC-UHFFFAOYSA-N 0 0 392.459 3.331 20 30 GGEDRN Cc1ccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)o1 ZINC000190704849 1432448479 /nfs/dbraw/zinc/44/84/79/1432448479.db2.gz GCYAQLWRVZMGDT-INIZCTEOSA-N 0 0 383.452 3.320 20 30 GGEDRN C=CCN(CCOC)C(=O)C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 ZINC000190710523 1432450728 /nfs/dbraw/zinc/45/07/28/1432450728.db2.gz RDGWASDYMMPNJQ-KRWDZBQOSA-N 0 0 382.460 3.426 20 30 GGEDRN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)C(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000190713797 1432453073 /nfs/dbraw/zinc/45/30/73/1432453073.db2.gz XBEWQNBDBAEZSM-APWZRJJASA-N 0 0 379.464 3.044 20 30 GGEDRN COc1cc(OC)c(OC)cc1CNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000190719246 1432454533 /nfs/dbraw/zinc/45/45/33/1432454533.db2.gz KQMSCQFLXDMRAT-UHFFFAOYSA-N 0 0 393.361 3.399 20 30 GGEDRN C=CCN(CCOC)C(=O)C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000190723664 1432456417 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GGEDRN C=CCN(CCO[C@@H]1CCCCO1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000192835115 1432896747 /nfs/dbraw/zinc/89/67/47/1432896747.db2.gz HXSVZOZWJIPKKN-MRXNPFEDSA-N 0 0 393.427 3.425 20 30 GGEDRN CCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000192838022 1432897012 /nfs/dbraw/zinc/89/70/12/1432897012.db2.gz PKXCBVOFRMCLLI-UHFFFAOYSA-N 0 0 379.464 3.306 20 30 GGEDRN N#CCc1ccc(NC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000192838803 1432897281 /nfs/dbraw/zinc/89/72/81/1432897281.db2.gz CVGIYNBKCMRKJT-UHFFFAOYSA-N 0 0 378.432 3.341 20 30 GGEDRN COc1ccc(F)cc1CN1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000192839156 1432897303 /nfs/dbraw/zinc/89/73/03/1432897303.db2.gz SWQVDJMCTGBNFV-UHFFFAOYSA-N 0 0 382.439 3.250 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCCc1ccc(Cl)cc1 ZINC000192839073 1432897327 /nfs/dbraw/zinc/89/73/27/1432897327.db2.gz YNCSAXBCSUTYFC-UHFFFAOYSA-N 0 0 386.883 3.456 20 30 GGEDRN COc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1F ZINC000192839365 1432897349 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Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(Cc2ccc(C#N)cc2)C2CC2)no1 ZINC000193048268 1432927842 /nfs/dbraw/zinc/92/78/42/1432927842.db2.gz ICAMMYDKVOSTLR-CQSZACIVSA-N 0 0 398.488 3.106 20 30 GGEDRN COc1ccccc1C[C@H](C)N(C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193048729 1432928060 /nfs/dbraw/zinc/92/80/60/1432928060.db2.gz ZDKQAZVEFXKPTI-HNNXBMFYSA-N 0 0 396.491 3.151 20 30 GGEDRN CCc1ccccc1Nc1nc(N)nc(CSc2nnc(C)c(C)c2C#N)n1 ZINC000193051608 1432928326 /nfs/dbraw/zinc/92/83/26/1432928326.db2.gz COMCRZFBOHOKLH-UHFFFAOYSA-N 0 0 392.492 3.331 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)NCc2ccnc(N3CCOCC3)c2)cc1 ZINC000193050403 1432928384 /nfs/dbraw/zinc/92/83/84/1432928384.db2.gz JASMXGVOXQJWEJ-UHFFFAOYSA-N 0 0 379.464 3.041 20 30 GGEDRN C[C@H]1Oc2ccccc2N(CCC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1=O ZINC000193055041 1432928842 /nfs/dbraw/zinc/92/88/42/1432928842.db2.gz UVWFNRSMGFUFFH-MRXNPFEDSA-N 0 0 389.455 3.253 20 30 GGEDRN N#Cc1ccc(CN(C(=O)CN2C(=S)N=NC2c2cccs2)C2CC2)cc1 ZINC000193054066 1432928938 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GGEDRN Cc1cccc(C2N=NC(=S)N2CCC(=O)NCc2ccc(C#N)cc2)c1 ZINC000193087858 1432934506 /nfs/dbraw/zinc/93/45/06/1432934506.db2.gz PXRRUBRAGKQHIE-UHFFFAOYSA-N 0 0 377.473 3.120 20 30 GGEDRN CCN(CCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1C ZINC000193100562 1432935972 /nfs/dbraw/zinc/93/59/72/1432935972.db2.gz YPHOYZHDXNPWNR-UHFFFAOYSA-N 0 0 392.503 3.377 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000193111602 1432937741 /nfs/dbraw/zinc/93/77/41/1432937741.db2.gz FGZIRBFFFBUSCU-UHFFFAOYSA-N 0 0 390.892 3.192 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cnn(C2CCCC2)c1C ZINC000193116178 1432938291 /nfs/dbraw/zinc/93/82/91/1432938291.db2.gz RONZGHHIWKFKAA-UHFFFAOYSA-N 0 0 391.475 3.332 20 30 GGEDRN CCc1nc(NC(=O)C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)sc1C ZINC000193115930 1432938489 /nfs/dbraw/zinc/93/84/89/1432938489.db2.gz DCNGFCXVVDGRML-UHFFFAOYSA-N 0 0 395.406 3.139 20 30 GGEDRN CCO[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1(CC)CC ZINC000193118467 1432938884 /nfs/dbraw/zinc/93/88/84/1432938884.db2.gz YMHZPACNAWZHKQ-HOTGVXAUSA-N 0 0 388.512 3.153 20 30 GGEDRN CC[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)Oc1ccccc1C ZINC000193121576 1432939801 /nfs/dbraw/zinc/93/98/01/1432939801.db2.gz IIUJHDZGNLPTEZ-QGZVFWFLSA-N 0 0 396.491 3.336 20 30 GGEDRN CCS[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193125616 1432940219 /nfs/dbraw/zinc/94/02/19/1432940219.db2.gz HJJGZRNULZABBH-CABCVRRESA-N 0 0 376.526 3.234 20 30 GGEDRN COc1ccccc1[C@H]1CCCN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000193128335 1432940879 /nfs/dbraw/zinc/94/08/79/1432940879.db2.gz JGHXYXGQJJVGCP-LJQANCHMSA-N 0 0 394.475 3.443 20 30 GGEDRN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193130480 1432941527 /nfs/dbraw/zinc/94/15/27/1432941527.db2.gz BVDFAGGDGKLWNY-MAUKXSAKSA-N 0 0 378.476 3.458 20 30 GGEDRN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193130469 1432941581 /nfs/dbraw/zinc/94/15/81/1432941581.db2.gz BVDFAGGDGKLWNY-CRAIPNDOSA-N 0 0 378.476 3.458 20 30 GGEDRN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CC(O)(CC#N)C2)c1 ZINC000193139695 1432943188 /nfs/dbraw/zinc/94/31/88/1432943188.db2.gz AIFIOFMWVIRYJM-UHFFFAOYSA-N 0 0 390.418 3.087 20 30 GGEDRN CCOc1cc(C)ccc1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193143612 1432944173 /nfs/dbraw/zinc/94/41/73/1432944173.db2.gz NTBFCHKYUXBZNH-UHFFFAOYSA-N 0 0 382.464 3.077 20 30 GGEDRN COc1cc(C#N)ccc1OC(=O)[C@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1 ZINC000193143962 1432944220 /nfs/dbraw/zinc/94/42/20/1432944220.db2.gz WQCPSHDEHNBYCD-KRWDZBQOSA-N 0 0 378.428 3.451 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000193152599 1432945464 /nfs/dbraw/zinc/94/54/64/1432945464.db2.gz DYKPUMGMMJFTBK-UHFFFAOYSA-N 0 0 384.461 3.318 20 30 GGEDRN N#Cc1ccc(NC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1Cl ZINC000193168609 1432949582 /nfs/dbraw/zinc/94/95/82/1432949582.db2.gz IHQSMFMKLGFWBQ-UHFFFAOYSA-N 0 0 382.851 3.130 20 30 GGEDRN Cc1cccc([C@H]2CCCN2C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)n1 ZINC000193172186 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GSHHTLWZYAEMGP-HUUCEWRRSA-N 0 0 389.411 3.374 20 30 GGEDRN C#CCNC(=O)[C@@H](C)N(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000193281083 1432973836 /nfs/dbraw/zinc/97/38/36/1432973836.db2.gz SARSEIBCLVZLLN-MRXNPFEDSA-N 0 0 378.501 3.171 20 30 GGEDRN N#CC(C(=O)CNC(=O)c1ccc(F)cc1)c1nc2ccccc2n1C(F)F ZINC000193284281 1432974077 /nfs/dbraw/zinc/97/40/77/1432974077.db2.gz MYCQVGPYLZGNGR-CYBMUJFWSA-N 0 0 386.333 3.177 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000193301373 1432976142 /nfs/dbraw/zinc/97/61/42/1432976142.db2.gz IXJKKAQYOCZORS-UHFFFAOYSA-N 0 0 396.516 3.029 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000193309358 1432977128 /nfs/dbraw/zinc/97/71/28/1432977128.db2.gz CXGLXKRFCXTRHL-UHFFFAOYSA-N 0 0 383.473 3.280 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000193311447 1432977423 /nfs/dbraw/zinc/97/74/23/1432977423.db2.gz IZULSQUYIOPEIH-UHFFFAOYSA-N 0 0 376.460 3.127 20 30 GGEDRN Cn1c(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)nc2ccccc21 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JAMPYGQCDVCZSC-KRWDZBQOSA-N 0 0 399.878 3.179 20 30 GGEDRN COc1ccccc1C[C@H](C)N(C)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000193378811 1432987979 /nfs/dbraw/zinc/98/79/79/1432987979.db2.gz KRBIOKGLEVENEP-HNNXBMFYSA-N 0 0 396.491 3.169 20 30 GGEDRN N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000193392893 1432990028 /nfs/dbraw/zinc/99/00/28/1432990028.db2.gz ZUYFQMBGBMIZHZ-CRAIPNDOSA-N 0 0 395.846 3.036 20 30 GGEDRN N#C[C@@H](C(=O)CCCNC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000193395102 1432990353 /nfs/dbraw/zinc/99/03/53/1432990353.db2.gz AZHJRVRQNAJPFI-KRWDZBQOSA-N 0 0 383.835 3.198 20 30 GGEDRN N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000193398058 1432991250 /nfs/dbraw/zinc/99/12/50/1432991250.db2.gz BZIDJJZQABRJGB-HUUCEWRRSA-N 0 0 385.782 3.252 20 30 GGEDRN N#C[C@H](C(=O)CCc1nc(-c2ccco2)no1)C(=O)Nc1ccc(Cl)cc1 ZINC000193401309 1432991559 /nfs/dbraw/zinc/99/15/59/1432991559.db2.gz PNJOEZXLEYTNIJ-CYBMUJFWSA-N 0 0 384.779 3.263 20 30 GGEDRN 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/nfs/dbraw/zinc/33/20/52/1433332052.db2.gz QMNBOGHHQRHJBP-JKSUJKDBSA-N 0 0 385.217 3.432 20 30 GGEDRN N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2csc(C3CC3)n2)cc1 ZINC000195460281 1433332500 /nfs/dbraw/zinc/33/25/00/1433332500.db2.gz BDIDUVLVDSOEOA-OAHLLOKOSA-N 0 0 384.486 3.046 20 30 GGEDRN C#CC(C)(C)N(C)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000195472363 1433334195 /nfs/dbraw/zinc/33/41/95/1433334195.db2.gz PYEYNQRWAXTRNO-HNNXBMFYSA-N 0 0 385.913 3.320 20 30 GGEDRN C=C(Br)CNC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000195490758 1433336338 /nfs/dbraw/zinc/33/63/38/1433336338.db2.gz ZNMBXVWYVOLNTJ-UHFFFAOYSA-N 0 0 381.251 3.106 20 30 GGEDRN C[C@@H](NC(=O)CC1CCCCC1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000195491918 1433336590 /nfs/dbraw/zinc/33/65/90/1433336590.db2.gz BWNMYNLCDITTKW-DYVFJYSZSA-N 0 0 389.883 3.462 20 30 GGEDRN C[C@H](NC(=O)CC1CCCCC1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000195491903 1433336695 /nfs/dbraw/zinc/33/66/95/1433336695.db2.gz BWNMYNLCDITTKW-SUMWQHHRSA-N 0 0 389.883 3.462 20 30 GGEDRN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(c2ccnn2C)CC1 ZINC000195504745 1433337498 /nfs/dbraw/zinc/33/74/98/1433337498.db2.gz YJPOZJSGTBMXCW-CYBMUJFWSA-N 0 0 383.521 3.049 20 30 GGEDRN Cc1ccc(-n2nc(CCCNc3ncc([N+](=O)[O-])s3)c(C#N)c2N)cc1 ZINC000195508866 1433337824 /nfs/dbraw/zinc/33/78/24/1433337824.db2.gz PMCIPOUWIBNXFJ-UHFFFAOYSA-N 0 0 383.437 3.044 20 30 GGEDRN N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000195528029 1433338635 /nfs/dbraw/zinc/33/86/35/1433338635.db2.gz USWQPQMXLMYVCH-UHFFFAOYSA-N 0 0 398.422 3.065 20 30 GGEDRN C=CCc1cc(OC)ccc1OC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000195535097 1433338892 /nfs/dbraw/zinc/33/88/92/1433338892.db2.gz ZKOWHJUVKFBITJ-UHFFFAOYSA-N 0 0 394.387 3.440 20 30 GGEDRN CC(C)[C@@H](C(=O)NCCSCc1ccccc1C#N)N1C[C@@H](C)O[C@@H](C)C1 ZINC000195712910 1433345368 /nfs/dbraw/zinc/34/53/68/1433345368.db2.gz DWJPWPGEPBDPBF-QKLQHJQFSA-N 0 0 389.565 3.041 20 30 GGEDRN C=CCSCCNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000195728708 1433345896 /nfs/dbraw/zinc/34/58/96/1433345896.db2.gz UJKSFZWZKSQSNA-HOTGVXAUSA-N 0 0 396.578 3.002 20 30 GGEDRN COc1ccc(CN2CCN(C(=O)c3ccccc3SCC#N)CC2)cc1F ZINC000198127164 1433347696 /nfs/dbraw/zinc/34/76/96/1433347696.db2.gz SWSFEIMIJRLJOU-UHFFFAOYSA-N 0 0 399.491 3.408 20 30 GGEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCc2ccsc2)c1 ZINC000198225664 1433348564 /nfs/dbraw/zinc/34/85/64/1433348564.db2.gz BTAZJYVIIXBSPE-JZJYNLBNSA-N 0 0 391.518 3.132 20 30 GGEDRN C=CCc1cc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc(OC)c1OC ZINC000198346415 1433349464 /nfs/dbraw/zinc/34/94/64/1433349464.db2.gz RIOHXUSKAOBKCX-UHFFFAOYSA-N 0 0 381.432 3.214 20 30 GGEDRN Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)C3(C#N)CCCC3)C2=O)cc1 ZINC000198404669 1433349887 /nfs/dbraw/zinc/34/98/87/1433349887.db2.gz LJWWLSBEEPCRFX-VBKFSLOCSA-N 0 0 383.473 3.232 20 30 GGEDRN N#CC1(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCCC1 ZINC000198404580 1433349924 /nfs/dbraw/zinc/34/99/24/1433349924.db2.gz VPQLUCMAZVZWDY-UHFFFAOYSA-N 0 0 396.369 3.346 20 30 GGEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000198462500 1433350041 /nfs/dbraw/zinc/35/00/41/1433350041.db2.gz KRSOCGNPOCTTLK-OBPSKYKYSA-N 0 0 383.473 3.151 20 30 GGEDRN CC(=O)N[C@H](CC(=O)NCCSCc1ccccc1C#N)c1cccs1 ZINC000198519352 1433350073 /nfs/dbraw/zinc/35/00/73/1433350073.db2.gz XGDHQGBDKKEEAP-QGZVFWFLSA-N 0 0 387.530 3.237 20 30 GGEDRN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cn2ccccc2c1C#N ZINC000198485783 1433350099 /nfs/dbraw/zinc/35/00/99/1433350099.db2.gz HSSMMBMSVWBFSO-UHFFFAOYSA-N 0 0 390.443 3.043 20 30 GGEDRN C/C(=N\OCc1ccc(CO/N=C(\C)c2cnn(C)c2)cc1)c1cnn(C)c1 ZINC000198605699 1433350630 /nfs/dbraw/zinc/35/06/30/1433350630.db2.gz CVLJBTRFDUZGHM-DFEHQXHXSA-N 0 0 380.452 3.035 20 30 GGEDRN O=C(NCC#Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000198887111 1433351576 /nfs/dbraw/zinc/35/15/76/1433351576.db2.gz JUJMRMPSDCHYCE-IBGZPJMESA-N 0 0 380.875 3.360 20 30 GGEDRN CCOc1ccc(C(=O)N[C@@H](C(=O)NCC#Cc2ccccc2)C(C)C)cc1 ZINC000198887159 1433351676 /nfs/dbraw/zinc/35/16/76/1433351676.db2.gz FONALKXFNFAUHB-OAQYLSRUSA-N 0 0 378.472 3.008 20 30 GGEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NOC)c1 ZINC000198939006 1433351971 /nfs/dbraw/zinc/35/19/71/1433351971.db2.gz SLMUUMGGTOMZOZ-UHFFFAOYSA-N 0 0 380.853 3.013 20 30 GGEDRN C#Cc1cccc(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)c1 ZINC000198986277 1433352565 /nfs/dbraw/zinc/35/25/65/1433352565.db2.gz OUXGPAKKIMABOC-UHFFFAOYSA-N 0 0 397.228 3.055 20 30 GGEDRN C#Cc1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)c1 ZINC000198985481 1433352567 /nfs/dbraw/zinc/35/25/67/1433352567.db2.gz ZOSZUVNVJOGSFO-UHFFFAOYSA-N 0 0 398.484 3.150 20 30 GGEDRN CCOc1ccc(CN2CCN(C(=O)/C=C\c3ccccc3C#N)CC2)cc1 ZINC000205807143 1433353353 /nfs/dbraw/zinc/35/33/53/1433353353.db2.gz CYDXUZVCJRQKSU-XFXZXTDPSA-N 0 0 375.472 3.315 20 30 GGEDRN N#Cc1ccccc1/C=C\C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000206007421 1433353479 /nfs/dbraw/zinc/35/34/79/1433353479.db2.gz IQHUHEQMIGCYLC-YUIUBULTSA-N 0 0 375.428 3.119 20 30 GGEDRN N#Cc1ccccc1/C=C\C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000206007394 1433353550 /nfs/dbraw/zinc/35/35/50/1433353550.db2.gz IQHUHEQMIGCYLC-JYBLJSLWSA-N 0 0 375.428 3.119 20 30 GGEDRN CCOC(=O)C=Cc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000206388580 1433353727 /nfs/dbraw/zinc/35/37/27/1433353727.db2.gz LRGLUEMCTFWVIC-MLPAPPSSSA-N 0 0 388.445 3.271 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2c(C)nn(CC)c2C)cc1 ZINC000206847105 1433353938 /nfs/dbraw/zinc/35/39/38/1433353938.db2.gz ZKCHQQTWWHKBTO-YPKPFQOOSA-N 0 0 389.521 3.446 20 30 GGEDRN CC(C)[C@H](C#N)N1CCN(C(=O)/C=C\c2ccccc2OC(F)(F)F)CC1 ZINC000207124291 1433354394 /nfs/dbraw/zinc/35/43/94/1433354394.db2.gz NYGAAUSUJMVQKL-PTZVLDCSSA-N 0 0 381.398 3.291 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000208079064 1433355118 /nfs/dbraw/zinc/35/51/18/1433355118.db2.gz JLMXNOXBNNLFFF-OAQYLSRUSA-N 0 0 396.512 3.443 20 30 GGEDRN C#CCOc1ccc(/C=C2/NC(=S)N(c3ccccc3F)C2=O)cc1OCC ZINC000208915202 1433355584 /nfs/dbraw/zinc/35/55/84/1433355584.db2.gz QJOMUJATNCJRMS-FOWTUZBSSA-N 0 0 396.443 3.499 20 30 GGEDRN CCCCn1c(=O)[nH]nc1SCC(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000209593438 1433355971 /nfs/dbraw/zinc/35/59/71/1433355971.db2.gz NQIBGELIFGKYBX-ATVHPVEESA-N 0 0 386.521 3.344 20 30 GGEDRN C=CCn1c(C)nnc1SC[C@H](O)COc1ccc(/C=C\C)cc1OC ZINC000209558711 1433356111 /nfs/dbraw/zinc/35/61/11/1433356111.db2.gz BJTOCJYQESKUBA-GMNBZTITSA-N 0 0 375.494 3.346 20 30 GGEDRN CCNC(=O)COc1ccc(/C=C2/CCOc3ccc(F)cc3C2=O)cc1OC ZINC000210276592 1433356722 /nfs/dbraw/zinc/35/67/22/1433356722.db2.gz YSTMPVWGNDQYOF-GDNBJRDFSA-N 0 0 399.418 3.398 20 30 GGEDRN CCNC(=O)COc1ccc(/C=C\C(=O)c2ccc(F)c(F)c2)cc1OC ZINC000211154137 1433357283 /nfs/dbraw/zinc/35/72/83/1433357283.db2.gz XRQBAUYMXFZCNQ-YWEYNIOJSA-N 0 0 375.371 3.384 20 30 GGEDRN CN(C)C(=O)COc1cccc(C(=O)/C=C\c2cnn(-c3ccccc3)c2)c1 ZINC000211316743 1433357296 /nfs/dbraw/zinc/35/72/96/1433357296.db2.gz IDKRRYUGWUJIND-QXMHVHEDSA-N 0 0 375.428 3.235 20 30 GGEDRN CCNC(=O)COc1ccc(/C=C\C(=O)c2cc(F)ccc2F)cc1OC ZINC000211344995 1433357377 /nfs/dbraw/zinc/35/73/77/1433357377.db2.gz CDOBNRDEFRKTPU-YWEYNIOJSA-N 0 0 375.371 3.384 20 30 GGEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000212323252 1433358277 /nfs/dbraw/zinc/35/82/77/1433358277.db2.gz BAJVBIYPQBEXSQ-NVAPOSRTSA-N 0 0 375.472 3.183 20 30 GGEDRN CCNC(=O)COc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000212536533 1433358430 /nfs/dbraw/zinc/35/84/30/1433358430.db2.gz NRWBDGWWLITFEI-WMZJFQQLSA-N 0 0 384.388 3.014 20 30 GGEDRN C=CCOc1ccc(/C=C\C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1OC ZINC000212676766 1433358534 /nfs/dbraw/zinc/35/85/34/1433358534.db2.gz CRRSGOHBPWOETE-UITAMQMPSA-N 0 0 380.400 3.243 20 30 GGEDRN CCNC(=O)COc1ccc(/C=C\C(=O)c2ccc(OC)cc2OC)cc1OC ZINC000212532557 1433358545 /nfs/dbraw/zinc/35/85/45/1433358545.db2.gz DMZKRBYXDBOWIR-POHAHGRESA-N 0 0 399.443 3.123 20 30 GGEDRN C=CCOc1ccc(/C=C\C(=O)NCCc2ccc3c(c2)OCO3)cc1OC ZINC000212877117 1433359193 /nfs/dbraw/zinc/35/91/93/1433359193.db2.gz AZTZCHUEGTUBOY-TWGQIWQCSA-N 0 0 381.428 3.361 20 30 GGEDRN CCNC(=O)COc1ccc(/C=C\C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000213077112 1433359464 /nfs/dbraw/zinc/35/94/64/1433359464.db2.gz BVPSVDNLQKGSRT-TWGQIWQCSA-N 0 0 398.415 3.323 20 30 GGEDRN CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000213104201 1433359477 /nfs/dbraw/zinc/35/94/77/1433359477.db2.gz QYSICHNEVJINCU-FOWTUZBSSA-N 0 0 380.356 3.422 20 30 GGEDRN C=CCOc1ccc(/C=C\C(=O)N2CCN(Cc3ccco3)CC2)cc1OC ZINC000213378080 1433359692 /nfs/dbraw/zinc/35/96/92/1433359692.db2.gz CXBNPXBYWNVXAL-CLFYSBASSA-N 0 0 382.460 3.211 20 30 GGEDRN CN(C)S(=O)(=O)c1ccc(C(=O)/C=C\c2cnn(-c3ccccc3)c2)cc1 ZINC000213597052 1433359976 /nfs/dbraw/zinc/35/99/76/1433359976.db2.gz RCQRFWGYTBUBPM-JYRVWZFOSA-N 0 0 381.457 3.019 20 30 GGEDRN CNS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000213692694 1433360000 /nfs/dbraw/zinc/36/00/00/1433360000.db2.gz SCHGCFPWHANEAM-OQFOIZHKSA-N 0 0 380.809 3.052 20 30 GGEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)/C=C\c2ccsc2)cc1 ZINC000213819321 1433360462 /nfs/dbraw/zinc/36/04/62/1433360462.db2.gz CNTAFEUVQIOPSH-JSPSNCIESA-N 0 0 389.502 3.213 20 30 GGEDRN CN1c2ccccc2C(C)(C)/C1=C\C(=O)Cn1c(=O)onc1-c1cccs1 ZINC000214049536 1433360626 /nfs/dbraw/zinc/36/06/26/1433360626.db2.gz SMLFXSYNXWPGEM-GZTJUZNOSA-N 0 0 381.457 3.445 20 30 GGEDRN CC(=O)Nc1nc(C(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)cs1 ZINC000214029819 1433360723 /nfs/dbraw/zinc/36/07/23/1433360723.db2.gz LWKMTTUZZRDFHK-RQZCQDPDSA-N 0 0 399.472 3.139 20 30 GGEDRN C=CCOc1ccc(/C=C\C(=O)NCc2ccc3c(c2)OCCO3)cc1OC ZINC000214284806 1433360880 /nfs/dbraw/zinc/36/08/80/1433360880.db2.gz FYRORWDMKSZNIN-TWGQIWQCSA-N 0 0 381.428 3.361 20 30 GGEDRN C=CCOc1ccc(/C=C\C(=O)OCC(=O)N(C)c2ccccc2)cc1OC ZINC000215446602 1433361906 /nfs/dbraw/zinc/36/19/06/1433361906.db2.gz FXYGRPIVNNTRGC-QBFSEMIESA-N 0 0 381.428 3.479 20 30 GGEDRN C=CCNS(=O)(=O)c1cc(C(=O)OC/C=C\c2ccccc2)ccc1F ZINC000216122696 1433362743 /nfs/dbraw/zinc/36/27/43/1433362743.db2.gz ICFQXEHHKXEOQO-TWGQIWQCSA-N 0 0 375.421 3.160 20 30 GGEDRN N#Cc1ccc(NC(=O)CCCCC(=O)Nc2ccc(C#N)c(C#N)c2)cc1C#N ZINC000216195784 1433362865 /nfs/dbraw/zinc/36/28/65/1433362865.db2.gz XGWYKZXITZJEDN-UHFFFAOYSA-N 0 0 396.410 3.311 20 30 GGEDRN N#C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000216363086 1433363489 /nfs/dbraw/zinc/36/34/89/1433363489.db2.gz MIIIOOYSYUJMPT-QFIPXVFZSA-N 0 0 395.528 3.137 20 30 GGEDRN CCc1ccc(NC(=O)[C@H](C)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 ZINC000216384639 1433363602 /nfs/dbraw/zinc/36/36/02/1433363602.db2.gz ALCVCMWNDFVPMZ-AVRDEDQJSA-N 0 0 376.504 3.458 20 30 GGEDRN CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000216383369 1433363606 /nfs/dbraw/zinc/36/36/06/1433363606.db2.gz ZVURKDAGUDNSBS-XZOQPEGZSA-N 0 0 390.531 3.479 20 30 GGEDRN CCOC(=O)N1CCCN(c2cc(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000216486063 1433363746 /nfs/dbraw/zinc/36/37/46/1433363746.db2.gz NPQMVUFECYDVHP-UHFFFAOYSA-N 0 0 377.448 3.336 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC000216579777 1433364135 /nfs/dbraw/zinc/36/41/35/1433364135.db2.gz DQHOKLGXJZMQIO-UYAOXDASSA-N 0 0 395.890 3.300 20 30 GGEDRN C[C@@H](C(=O)NCCC1=CCCCC1)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000217133504 1433364345 /nfs/dbraw/zinc/36/43/45/1433364345.db2.gz WMPOBZSZXOXKKL-SIKLNZKXSA-N 0 0 380.536 3.264 20 30 GGEDRN CCOC(=O)[C@@H]1CCCCN1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000217147496 1433364400 /nfs/dbraw/zinc/36/44/00/1433364400.db2.gz OTYRGMPSTOVBKZ-SFHVURJKSA-N 0 0 391.899 3.313 20 30 GGEDRN C[C@@H](C(=O)NCCC1=CCCCC1)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000217133481 1433364407 /nfs/dbraw/zinc/36/44/07/1433364407.db2.gz WMPOBZSZXOXKKL-UGKGYDQZSA-N 0 0 380.536 3.264 20 30 GGEDRN Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000218892672 1433365166 /nfs/dbraw/zinc/36/51/66/1433365166.db2.gz QOPCDERRRZQWSB-NZQKXSOJSA-N 0 0 390.531 3.224 20 30 GGEDRN C#CCOc1ccc(C(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000225503440 1433367121 /nfs/dbraw/zinc/36/71/21/1433367121.db2.gz RISGAGSKXBJETE-ZWKOTPCHSA-N 0 0 381.432 3.301 20 30 GGEDRN C#CCSCC[NH2+]Cc1cc(Br)c([O-])c(Br)c1 ZINC000231937100 1433373266 /nfs/dbraw/zinc/37/32/66/1433373266.db2.gz BMEINBRWNYBUTF-UHFFFAOYSA-N 0 0 379.117 3.373 20 30 GGEDRN C#C[C@H](CC)NS(=O)(=O)c1cc(Br)c(C)cc1Br ZINC000234026257 1433373826 /nfs/dbraw/zinc/37/38/26/1433373826.db2.gz VJWMSCQCFYLEJU-SECBINFHSA-N 0 0 395.116 3.210 20 30 GGEDRN CN(C)C(=O)Cn1cc(NCc2cccc(OCc3ccccc3C#N)c2)cn1 ZINC000236993971 1433385175 /nfs/dbraw/zinc/38/51/75/1433385175.db2.gz MZCNZVSOKRVYST-UHFFFAOYSA-N 0 0 389.459 3.034 20 30 GGEDRN CN(C)C(=O)Cn1cc(NCc2cccc(OCc3cccc(C#N)c3)c2)cn1 ZINC000236993871 1433385177 /nfs/dbraw/zinc/38/51/77/1433385177.db2.gz IHBUJCTXPJARPI-UHFFFAOYSA-N 0 0 389.459 3.034 20 30 GGEDRN COc1cc(CNc2ccc(CC#N)cc2)ccc1OCC(=O)N1CCCC1 ZINC000237261671 1433394789 /nfs/dbraw/zinc/39/47/89/1433394789.db2.gz NXPIEURPHKCVLE-UHFFFAOYSA-N 0 0 379.460 3.375 20 30 GGEDRN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)cc1 ZINC000244330679 1433452421 /nfs/dbraw/zinc/45/24/21/1433452421.db2.gz XNUMGKHBPYOULV-UHFFFAOYSA-N 0 0 383.517 3.367 20 30 GGEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1 ZINC000244331305 1433452445 /nfs/dbraw/zinc/45/24/45/1433452445.db2.gz XODWRSZATPPBKQ-UHFFFAOYSA-N 0 0 397.862 3.468 20 30 GGEDRN Cc1ccc(OCC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000244408139 1433452829 /nfs/dbraw/zinc/45/28/29/1433452829.db2.gz YOIJSJVXZXAWKG-UHFFFAOYSA-N 0 0 377.444 3.123 20 30 GGEDRN C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC[C@H]2c2cccs2)C1=O ZINC000245197934 1433453505 /nfs/dbraw/zinc/45/35/05/1433453505.db2.gz CJKOXHTUVFESGL-JXFKEZNVSA-N 0 0 380.473 3.181 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000245386811 1433456895 /nfs/dbraw/zinc/45/68/95/1433456895.db2.gz QUSQQZOYVLDRAL-DOTOQJQBSA-N 0 0 399.470 3.063 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000245387060 1433457005 /nfs/dbraw/zinc/45/70/05/1433457005.db2.gz TWEZKMGXQBXGLO-IERDGZPVSA-N 0 0 399.470 3.110 20 30 GGEDRN N#Cc1ccc(OC[C@@H](O)CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1 ZINC000245404872 1433461493 /nfs/dbraw/zinc/46/14/93/1433461493.db2.gz QUOFWTPVZYUPFE-OXJNMPFZSA-N 0 0 390.842 3.164 20 30 GGEDRN N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000245434723 1433467122 /nfs/dbraw/zinc/46/71/22/1433467122.db2.gz PZGOCIHHPJUQLE-PZJWPPBQSA-N 0 0 392.507 3.160 20 30 GGEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCCC[C@H]2[C@H](C)O)c1C#N ZINC000245494465 1433476878 /nfs/dbraw/zinc/47/68/78/1433476878.db2.gz NMVSOBHSYKHGHG-PXNSSMCTSA-N 0 0 380.492 3.140 20 30 GGEDRN N#C[C@@H]1CN(Cc2ccc(Oc3cnccn3)cc2)CCN1Cc1ccccc1 ZINC000245509944 1433479190 /nfs/dbraw/zinc/47/91/90/1433479190.db2.gz VKRBLKRCAYKMOO-OAQYLSRUSA-N 0 0 385.471 3.479 20 30 GGEDRN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C[C@H](C)O1 ZINC000245511943 1433479622 /nfs/dbraw/zinc/47/96/22/1433479622.db2.gz ZMUOQQOVKNXIAS-UPHUGPLXSA-N 0 0 376.456 3.097 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](N3CCO[C@@H](c4ccc(F)c(F)c4)C3)C2=O)cc1 ZINC000245514956 1433480117 /nfs/dbraw/zinc/48/01/17/1433480117.db2.gz CUPOXDSDVVTBJP-NHCUHLMSSA-N 0 0 397.425 3.405 20 30 GGEDRN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)C(C)(C)C#N ZINC000245534536 1433481985 /nfs/dbraw/zinc/48/19/85/1433481985.db2.gz HWFMEXXEXHPJGY-LSDHHAIUSA-N 0 0 378.494 3.345 20 30 GGEDRN CC(C)n1cnnc1[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245533824 1433482037 /nfs/dbraw/zinc/48/20/37/1433482037.db2.gz VMYKELQVRKTRBB-ICSRJNTNSA-N 0 0 392.507 3.106 20 30 GGEDRN CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCCC[C@H]1O ZINC000245546640 1433483294 /nfs/dbraw/zinc/48/32/94/1433483294.db2.gz MHFFWCYQDWXJKU-RHSMWYFYSA-N 0 0 375.538 3.310 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1C ZINC000245585982 1433488059 /nfs/dbraw/zinc/48/80/59/1433488059.db2.gz MFMHTNUBDFUQKJ-PJIJBLCYSA-N 0 0 393.491 3.240 20 30 GGEDRN C=CCSc1ccccc1NC(=O)CN1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245590487 1433488700 /nfs/dbraw/zinc/48/87/00/1433488700.db2.gz GDQFBHIMOWAYIL-QFBILLFUSA-N 0 0 399.560 3.379 20 30 GGEDRN CCC1(CC)[C@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)[C@H](C)[C@H]1OC ZINC000245615954 1433491307 /nfs/dbraw/zinc/49/13/07/1433491307.db2.gz PMXYHLNRVNOTCB-CJMONDIMSA-N 0 0 397.523 3.106 20 30 GGEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000245620177 1433491998 /nfs/dbraw/zinc/49/19/98/1433491998.db2.gz APNPEYJBJFSKOT-MAODMQOUSA-N 0 0 381.476 3.131 20 30 GGEDRN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000245639054 1433494267 /nfs/dbraw/zinc/49/42/67/1433494267.db2.gz YCRYYIXDPUAYRM-UGKGYDQZSA-N 0 0 377.488 3.265 20 30 GGEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245684683 1433498998 /nfs/dbraw/zinc/49/89/98/1433498998.db2.gz POHXISBSNLTAJB-JKIFEVAISA-N 0 0 383.521 3.215 20 30 GGEDRN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245715132 1433504870 /nfs/dbraw/zinc/50/48/70/1433504870.db2.gz GKCQYEZPWJWSNL-IUODEOHRSA-N 0 0 398.898 3.414 20 30 GGEDRN C=CCn1c2nn(CN3CC[C@@H](C)[C@H](C)C3)c(=S)n2c2ccccc2c1=O ZINC000245716464 1433504941 /nfs/dbraw/zinc/50/49/41/1433504941.db2.gz GRYKYUCAZXYLHE-HUUCEWRRSA-N 0 0 383.521 3.302 20 30 GGEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC000245722780 1433505927 /nfs/dbraw/zinc/50/59/27/1433505927.db2.gz RODSSHHQPOGHFW-KRWDZBQOSA-N 0 0 396.457 3.119 20 30 GGEDRN N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)o1 ZINC000245745577 1433510342 /nfs/dbraw/zinc/51/03/42/1433510342.db2.gz CRJXNSYGPUJJOV-NSISKUIASA-N 0 0 378.428 3.418 20 30 GGEDRN C=C(C)COc1cc(CN(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)ccc1OC ZINC000245769346 1433514643 /nfs/dbraw/zinc/51/46/43/1433514643.db2.gz RJGCDDSHPIKRHO-YLJYHZDGSA-N 0 0 381.538 3.438 20 30 GGEDRN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245776272 1433515608 /nfs/dbraw/zinc/51/56/08/1433515608.db2.gz UAXFFGJEXXUUCB-SJLPKXTDSA-N 0 0 392.507 3.197 20 30 GGEDRN C=CC1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CC1 ZINC000245801087 1433519948 /nfs/dbraw/zinc/51/99/48/1433519948.db2.gz ZILFOSXVLOUNGI-MOPGFXCFSA-N 0 0 377.916 3.319 20 30 GGEDRN Cn1cc(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(-c2cccs2)n1 ZINC000245843176 1433525393 /nfs/dbraw/zinc/52/53/93/1433525393.db2.gz DCCIDRUCFJJYJT-IBGZPJMESA-N 0 0 377.517 3.359 20 30 GGEDRN COCCO[C@@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000245859005 1433528598 /nfs/dbraw/zinc/52/85/98/1433528598.db2.gz KNTWLSCTZNSQPG-TZIWHRDSSA-N 0 0 387.524 3.066 20 30 GGEDRN N#C[C@@H]1CN(Cc2c(C3CC3)nc3sccn23)CCN1Cc1ccccc1 ZINC000245869545 1433530350 /nfs/dbraw/zinc/53/03/50/1433530350.db2.gz KWBWCDZWRMMUAH-GOSISDBHSA-N 0 0 377.517 3.483 20 30 GGEDRN N#Cc1ccccc1N1CCCN(CN2C[C@@H](c3cccc(F)c3)CC2=O)CC1 ZINC000245871963 1433531063 /nfs/dbraw/zinc/53/10/63/1433531063.db2.gz WKYXURDZUBTBQW-FQEVSTJZSA-N 0 0 392.478 3.183 20 30 GGEDRN CCOCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000245917212 1433541700 /nfs/dbraw/zinc/54/17/00/1433541700.db2.gz LHLJCXWCYJODHG-RRFJBIMHSA-N 0 0 383.275 3.349 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)n1 ZINC000245941266 1433548223 /nfs/dbraw/zinc/54/82/23/1433548223.db2.gz AVOGGNWYROKPNW-JLZZUVOBSA-N 0 0 399.882 3.441 20 30 GGEDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000245949863 1433549684 /nfs/dbraw/zinc/54/96/84/1433549684.db2.gz PBGVGVQSQDGUFA-KFWWJZLASA-N 0 0 375.494 3.132 20 30 GGEDRN C[C@H](CCCc1ccccc1)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000246017190 1433558559 /nfs/dbraw/zinc/55/85/59/1433558559.db2.gz ZUFCQKQCSJUNGX-MSOLQXFVSA-N 0 0 377.492 3.044 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000246024426 1433559009 /nfs/dbraw/zinc/55/90/09/1433559009.db2.gz WFVZMGBFANNDEP-LMMKCTJWSA-N 0 0 379.460 3.171 20 30 GGEDRN C=CCn1c(C)cc(C(=O)CN2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1C ZINC000246048029 1433561182 /nfs/dbraw/zinc/56/11/82/1433561182.db2.gz PUFLHTWNJIEWBG-IFMALSPDSA-N 0 0 382.504 3.298 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246063608 1433563459 /nfs/dbraw/zinc/56/34/59/1433563459.db2.gz BIZVXISYURRKKW-GUDVDZBRSA-N 0 0 385.533 3.438 20 30 GGEDRN C=CCn1c(C)nn(CN2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1=S ZINC000246106397 1433569604 /nfs/dbraw/zinc/56/96/04/1433569604.db2.gz OELFPTQACJHGNO-GOEBONIOSA-N 0 0 395.573 3.491 20 30 GGEDRN CCCCOc1cc(CN2CCN(c3nccnc3C#N)C[C@H]2C)ccc1OC ZINC000246117657 1433571133 /nfs/dbraw/zinc/57/11/33/1433571133.db2.gz KDMYKPIMPWNVIL-QGZVFWFLSA-N 0 0 395.507 3.246 20 30 GGEDRN CCO[C@H]1C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=N)C12CCCC2 ZINC000246142899 1433574296 /nfs/dbraw/zinc/57/42/96/1433574296.db2.gz KLBQRDVKQLQPBH-MOPGFXCFSA-N 0 0 394.519 3.384 20 30 GGEDRN Cc1csc([C@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C2CC2)n1 ZINC000246150401 1433575416 /nfs/dbraw/zinc/57/54/16/1433575416.db2.gz KDXKEXBWGPIOBM-RBUKOAKNSA-N 0 0 395.532 3.322 20 30 GGEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCS[C@@H]2CCCC[C@H]21 ZINC000246155641 1433575854 /nfs/dbraw/zinc/57/58/54/1433575854.db2.gz PSYQDVDVEYDUAW-QZTJIDSGSA-N 0 0 381.505 3.042 20 30 GGEDRN Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H](c3nncn3C(C)C)C2)c(C#N)c1C ZINC000246175872 1433578123 /nfs/dbraw/zinc/57/81/23/1433578123.db2.gz QNVHKIBCTVLVAC-GOEBONIOSA-N 0 0 384.484 3.147 20 30 GGEDRN C[C@@H]1CCCN(CC(=O)Nc2sccc2C#N)[C@H]1CNC(=O)OC(C)(C)C ZINC000246180738 1433578694 /nfs/dbraw/zinc/57/86/94/1433578694.db2.gz KFXZGPURENLQJL-HIFRSBDPSA-N 0 0 392.525 3.183 20 30 GGEDRN CC[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000246230410 1433584511 /nfs/dbraw/zinc/58/45/11/1433584511.db2.gz MMRLVIMGDGTIKH-DLBZAZTESA-N 0 0 384.524 3.088 20 30 GGEDRN N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000246249309 1433586275 /nfs/dbraw/zinc/58/62/75/1433586275.db2.gz YDBJGTJSOKDYLO-MISYRCLQSA-N 0 0 378.428 3.418 20 30 GGEDRN CCCC[C@@H]1CCC[C@@H]1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000246278095 1433589102 /nfs/dbraw/zinc/58/91/02/1433589102.db2.gz BRANAMXYOPYPCW-NEWSRXKRSA-N 0 0 396.491 3.238 20 30 GGEDRN CC[C@H](C)[C@H](C)N(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 ZINC000246314147 1433593302 /nfs/dbraw/zinc/59/33/02/1433593302.db2.gz GIMOJLDLKZTJSV-DOXZYTNZSA-N 0 0 396.491 3.189 20 30 GGEDRN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000246353254 1433599315 /nfs/dbraw/zinc/59/93/15/1433599315.db2.gz FTHHMXNZWZSMAB-OXJNMPFZSA-N 0 0 391.947 3.446 20 30 GGEDRN C=CCn1c(C)cc(C(=O)CN2CCOC[C@H]2C[C@@H](O)c2cccs2)c1C ZINC000246356112 1433599657 /nfs/dbraw/zinc/59/96/57/1433599657.db2.gz GPKUSJFZPLVQRM-IEBWSBKVSA-N 0 0 388.533 3.360 20 30 GGEDRN CC(C)[C@@H]1CCC[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000246364721 1433601090 /nfs/dbraw/zinc/60/10/90/1433601090.db2.gz 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COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000246547569 1433629507 /nfs/dbraw/zinc/62/95/07/1433629507.db2.gz TUCKILRIKOCJSF-UYAOXDASSA-N 0 0 377.444 3.123 20 30 GGEDRN CC[C@@H](C#N)OC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000246566048 1433632346 /nfs/dbraw/zinc/63/23/46/1433632346.db2.gz AKVNRGOCSLGITR-PBHICJAKSA-N 0 0 384.457 3.285 20 30 GGEDRN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1[C@H](C)C(=O)N(C)CCC#N ZINC000246598667 1433637286 /nfs/dbraw/zinc/63/72/86/1433637286.db2.gz UFUUWUGAHBWJCK-CVEARBPZSA-N 0 0 379.936 3.398 20 30 GGEDRN CC(C)[C@@H](C#N)OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000246633643 1433642787 /nfs/dbraw/zinc/64/27/87/1433642787.db2.gz YWOHPFFEBUAOHF-XJKSGUPXSA-N 0 0 398.912 3.466 20 30 GGEDRN C[C@H](C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000246639007 1433643688 /nfs/dbraw/zinc/64/36/88/1433643688.db2.gz VOWPBKBJNVPLNQ-LERXQTSPSA-N 0 0 393.365 3.079 20 30 GGEDRN N#Cc1ccccc1N1CCCN([C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000246643330 1433644257 /nfs/dbraw/zinc/64/42/57/1433644257.db2.gz XNSQDMZYBONWJI-NRFANRHFSA-N 0 0 378.451 3.015 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)CC1 ZINC000246646714 1433644614 /nfs/dbraw/zinc/64/46/14/1433644614.db2.gz DXSLSYQKFSUVLQ-QKNQBKEWSA-N 0 0 381.426 3.477 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000246668574 1433647385 /nfs/dbraw/zinc/64/73/85/1433647385.db2.gz YGXPTMICBRUAOL-RCCFBDPRSA-N 0 0 398.409 3.145 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246687049 1433650073 /nfs/dbraw/zinc/65/00/73/1433650073.db2.gz MTSWEFUPHZXAJS-MAODMQOUSA-N 0 0 384.476 3.190 20 30 GGEDRN C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccc(F)cc1F ZINC000246762924 1433662061 /nfs/dbraw/zinc/66/20/61/1433662061.db2.gz NRBMYQLAXGPQCG-YJBOKZPZSA-N 0 0 384.430 3.445 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)cc1 ZINC000246778080 1433664715 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GOSGRFHNWTTWPB-IXDOHACOSA-N 0 0 389.883 3.415 20 30 GGEDRN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000247210977 1433691504 /nfs/dbraw/zinc/69/15/04/1433691504.db2.gz WYIVKTGKZMRTMS-FUHWJXTLSA-N 0 0 385.483 3.452 20 30 GGEDRN C=CCn1c(=S)n(CN2CCS[C@H]3CCCC[C@H]32)nc1-c1cnccn1 ZINC000247210971 1433691700 /nfs/dbraw/zinc/69/17/00/1433691700.db2.gz WYLUWMGAFHKRBD-CVEARBPZSA-N 0 0 388.566 3.375 20 30 GGEDRN N#CCCN(C(=O)CCC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccccc1 ZINC000247217925 1433692648 /nfs/dbraw/zinc/69/26/48/1433692648.db2.gz YZTOPKWBYJHTPN-VLCRHTCISA-N 0 0 395.503 3.177 20 30 GGEDRN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000247264255 1433698259 /nfs/dbraw/zinc/69/82/59/1433698259.db2.gz QQTZHEIZEWUCQG-JXFKEZNVSA-N 0 0 376.460 3.013 20 30 GGEDRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000247330422 1433707757 /nfs/dbraw/zinc/70/77/57/1433707757.db2.gz JARHZJYLILMZKY-KMFMINBZSA-N 0 0 375.444 3.244 20 30 GGEDRN CC(C)[C@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccccc1 ZINC000247337573 1433709742 /nfs/dbraw/zinc/70/97/42/1433709742.db2.gz NIURPUMQQHHAOR-HKUYNNGSSA-N 0 0 392.507 3.008 20 30 GGEDRN CN1CCO[C@@H]([C@@H](NC(=O)Nc2ccc(C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000247401889 1433716600 /nfs/dbraw/zinc/71/66/00/1433716600.db2.gz LRWPYQJIKNSFFP-MOPGFXCFSA-N 0 0 384.867 3.405 20 30 GGEDRN CC[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C[C@@H](C)O1 ZINC000247404516 1433717768 /nfs/dbraw/zinc/71/77/68/1433717768.db2.gz BPXPZZAMWSCAJI-RHSMWYFYSA-N 0 0 384.480 3.056 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000247438741 1433722140 /nfs/dbraw/zinc/72/21/40/1433722140.db2.gz RVQLANQWESLEDH-TYCQWZJGSA-N 0 0 397.482 3.342 20 30 GGEDRN CCc1ccc([C@@H](C)CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 ZINC000247500833 1433730092 /nfs/dbraw/zinc/73/00/92/1433730092.db2.gz XPCOLDHSAHMSGK-DLBZAZTESA-N 0 0 377.492 3.142 20 30 GGEDRN C[C@@H]1CN(c2ccc(C(=O)N[C@@](C)(C#N)CCc3ccccc3)cn2)C[C@@H](C)O1 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GGEDRN Cc1cc(F)cc2c1ncc(C#N)c2N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000266327902 1434320940 /nfs/dbraw/zinc/32/09/40/1434320940.db2.gz GNBWYYVNCKSSMM-CQSZACIVSA-N 0 0 376.439 3.476 20 30 GGEDRN CC(C)[C@H](CCO)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000266345336 1434322772 /nfs/dbraw/zinc/32/27/72/1434322772.db2.gz GDBJQIYRNJVUDZ-AWEZNQCLSA-N 0 0 391.522 3.231 20 30 GGEDRN N#Cc1ccc(NC(=O)N2CCC(N3CCCC3=O)CC2)cc1C(F)(F)F ZINC000266345456 1434322787 /nfs/dbraw/zinc/32/27/87/1434322787.db2.gz CMJLTHRTYPCRTC-UHFFFAOYSA-N 0 0 380.370 3.196 20 30 GGEDRN CC(C)c1cc(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)no1 ZINC000266369253 1434326013 /nfs/dbraw/zinc/32/60/13/1434326013.db2.gz IPLGKLCMKOXSCW-UHFFFAOYSA-N 0 0 393.451 3.192 20 30 GGEDRN C[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@H]1CCOC1 ZINC000266376727 1434327050 /nfs/dbraw/zinc/32/70/50/1434327050.db2.gz MBXZRWZQLVPSRL-RISCZKNCSA-N 0 0 389.506 3.249 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000266378640 1434327504 /nfs/dbraw/zinc/32/75/04/1434327504.db2.gz HUJZRBAGBIPGLN-UHFFFAOYSA-N 0 0 395.434 3.264 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)CCC(=O)N2CCOCC2)cc1F ZINC000266379419 1434327658 /nfs/dbraw/zinc/32/76/58/1434327658.db2.gz WRBYCJDGTJNTIF-UHFFFAOYSA-N 0 0 397.406 3.067 20 30 GGEDRN Cc1cccc2oc(CCNC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)nc21 ZINC000266382115 1434328061 /nfs/dbraw/zinc/32/80/61/1434328061.db2.gz XRHBWJPQIAHGOY-UHFFFAOYSA-N 0 0 378.432 3.017 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC000266406889 1434331940 /nfs/dbraw/zinc/33/19/40/1434331940.db2.gz NSHZCXRKQHFEKX-UHFFFAOYSA-N 0 0 399.422 3.112 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(OCC(N)=O)c1 ZINC000266407360 1434331949 /nfs/dbraw/zinc/33/19/49/1434331949.db2.gz IFSZEVPWVCOFGU-AWEZNQCLSA-N 0 0 398.488 3.267 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(OCC(N)=O)c1 ZINC000266407365 1434332040 /nfs/dbraw/zinc/33/20/40/1434332040.db2.gz IFSZEVPWVCOFGU-CQSZACIVSA-N 0 0 398.488 3.267 20 30 GGEDRN C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)Nc1ccn(CCC#N)n1 ZINC000266407939 1434332237 /nfs/dbraw/zinc/33/22/37/1434332237.db2.gz NGXMAZKQBJIGNJ-LBPRGKRZSA-N 0 0 381.358 3.405 20 30 GGEDRN N#Cc1ccnc(N2CCN(C(=O)Nc3cccc(CC(F)(F)F)c3)CC2)c1 ZINC000266411676 1434332641 /nfs/dbraw/zinc/33/26/41/1434332641.db2.gz RHXKSCTZXKYWAB-UHFFFAOYSA-N 0 0 389.381 3.412 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)N(C)Cc1nccn1CC(F)(F)F ZINC000266419054 1434333664 /nfs/dbraw/zinc/33/36/64/1434333664.db2.gz QWWLDPNIZSWEBX-UHFFFAOYSA-N 0 0 384.333 3.260 20 30 GGEDRN COCC[C@@](C)(O)CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000266430539 1434335479 /nfs/dbraw/zinc/33/54/79/1434335479.db2.gz KQLNGKSHCYRLIS-HXUWFJFHSA-N 0 0 387.411 3.399 20 30 GGEDRN N#Cc1ccc(NC(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1C(F)(F)F ZINC000266431945 1434335638 /nfs/dbraw/zinc/33/56/38/1434335638.db2.gz YIXZOPYOEWFIGX-NWDGAFQWSA-N 0 0 381.276 3.497 20 30 GGEDRN COC(=O)COc1ccc(N[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 ZINC000266438765 1434337017 /nfs/dbraw/zinc/33/70/17/1434337017.db2.gz GEQRGUXKNQQRJZ-QGZVFWFLSA-N 0 0 395.459 3.294 20 30 GGEDRN COCCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)N[C@@H]1c1ccc(C#N)o1 ZINC000266452135 1434338645 /nfs/dbraw/zinc/33/86/45/1434338645.db2.gz DFCQTZVOAXEEJP-LJQANCHMSA-N 0 0 395.415 3.194 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)Nc2ccc(OCCC(N)=O)cc2)c1 ZINC000266485443 1434342394 /nfs/dbraw/zinc/34/23/94/1434342394.db2.gz XFBZIMSOBULNRJ-UHFFFAOYSA-N 0 0 382.420 3.267 20 30 GGEDRN COc1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1N1CCOC1=O ZINC000266489592 1434342874 /nfs/dbraw/zinc/34/28/74/1434342874.db2.gz XKQLNDRCNFVIHD-CYBMUJFWSA-N 0 0 380.404 3.406 20 30 GGEDRN COc1ccccc1-c1noc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCCCC2)n1 ZINC000266492122 1434343252 /nfs/dbraw/zinc/34/32/52/1434343252.db2.gz ACUQRWQIXSHNMM-LSDHHAIUSA-N 0 0 397.479 3.127 20 30 GGEDRN COc1ccccc1-c1noc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCCCC2)n1 ZINC000266492111 1434343305 /nfs/dbraw/zinc/34/33/05/1434343305.db2.gz ACUQRWQIXSHNMM-CABCVRRESA-N 0 0 397.479 3.127 20 30 GGEDRN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000266522367 1434346414 /nfs/dbraw/zinc/34/64/14/1434346414.db2.gz IVAXLKQJUSYOJT-QGZVFWFLSA-N 0 0 397.479 3.440 20 30 GGEDRN N#CCCN(CCN1CCOCC1)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000266537142 1434347615 /nfs/dbraw/zinc/34/76/15/1434347615.db2.gz OGNNATKXTSHSBU-UHFFFAOYSA-N 0 0 378.476 3.433 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1C#N ZINC000266540444 1434347962 /nfs/dbraw/zinc/34/79/62/1434347962.db2.gz IHHFPECQFCHGGT-HXUWFJFHSA-N 0 0 393.443 3.090 20 30 GGEDRN CC(C)c1nc(C2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)no1 ZINC000266555336 1434349152 /nfs/dbraw/zinc/34/91/52/1434349152.db2.gz VOZSNSNZWJINPS-UHFFFAOYSA-N 0 0 378.436 3.494 20 30 GGEDRN C#Cc1cccc(/N=C2\SC(CC(=O)NC)C(=O)N2CCCC(F)(F)F)c1 ZINC000266582937 1434351538 /nfs/dbraw/zinc/35/15/38/1434351538.db2.gz VFKBHHCLDNYRTI-UIFJYSFJSA-N 0 0 397.422 3.078 20 30 GGEDRN COC1CCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000266591693 1434352537 /nfs/dbraw/zinc/35/25/37/1434352537.db2.gz VZWUGWZUQXMETH-UHFFFAOYSA-N 0 0 397.406 3.066 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[C@H](O)c1ccccc1 ZINC000266597186 1434352972 /nfs/dbraw/zinc/35/29/72/1434352972.db2.gz LPMZKPMDLOVEPA-QAPCUYQASA-N 0 0 397.500 3.259 20 30 GGEDRN CCc1nc(C)c([C@H](C)N(C)C(=O)C(=O)Nc2cccc(OCC#N)c2)s1 ZINC000266599749 1434353185 /nfs/dbraw/zinc/35/31/85/1434353185.db2.gz DAWOQNXKEZUJIR-ZDUSSCGKSA-N 0 0 386.477 3.074 20 30 GGEDRN CCOc1cc(C#N)ccc1OC(=O)c1cc(NC(C)=O)c(OC)c(OC)c1 ZINC000266604987 1434353519 /nfs/dbraw/zinc/35/35/19/1434353519.db2.gz GKMBYFWAASXAMU-UHFFFAOYSA-N 0 0 384.388 3.152 20 30 GGEDRN COc1ccc(O[C@@H](C)CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000266623363 1434355582 /nfs/dbraw/zinc/35/55/82/1434355582.db2.gz BRMHKWOETDVXAZ-HNNXBMFYSA-N 0 0 395.459 3.019 20 30 GGEDRN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000266631246 1434356437 /nfs/dbraw/zinc/35/64/37/1434356437.db2.gz RWIYIVRCLQPLRG-AUUYWEPGSA-N 0 0 381.407 3.276 20 30 GGEDRN C[C@@H](CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1)Oc1cccc(F)c1 ZINC000266636362 1434357119 /nfs/dbraw/zinc/35/71/19/1434357119.db2.gz DNRQDVICQBFICR-HNNXBMFYSA-N 0 0 399.422 3.030 20 30 GGEDRN C[C@H](CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1)Oc1cccc(F)c1 ZINC000266636364 1434357214 /nfs/dbraw/zinc/35/72/14/1434357214.db2.gz DNRQDVICQBFICR-OAHLLOKOSA-N 0 0 399.422 3.030 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000266642198 1434357759 /nfs/dbraw/zinc/35/77/59/1434357759.db2.gz JJMVJDNFNQAJJD-PXNSSMCTSA-N 0 0 377.444 3.055 20 30 GGEDRN CCN(CCCO)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000266643918 1434357963 /nfs/dbraw/zinc/35/79/63/1434357963.db2.gz UYWWLBGFICXGDC-SFHVURJKSA-N 0 0 399.878 3.165 20 30 GGEDRN CCC[C@@H](CCO)CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000266644549 1434358127 /nfs/dbraw/zinc/35/81/27/1434358127.db2.gz NAJAZHOGKCIQOZ-KRWDZBQOSA-N 0 0 395.459 3.204 20 30 GGEDRN CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C12CCC2 ZINC000266647125 1434358560 /nfs/dbraw/zinc/35/85/60/1434358560.db2.gz KCFUPKPSHIJSKK-IAGOWNOFSA-N 0 0 387.505 3.095 20 30 GGEDRN N#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000266661331 1434360523 /nfs/dbraw/zinc/36/05/23/1434360523.db2.gz YQHQLRHIFFCPKX-MRXNPFEDSA-N 0 0 395.484 3.168 20 30 GGEDRN C[C@H](O)CC(C)(C)CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000266680275 1434362855 /nfs/dbraw/zinc/36/28/55/1434362855.db2.gz PELQQZKDWROCCT-HNNXBMFYSA-N 0 0 395.459 3.202 20 30 GGEDRN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)[C@@H](C)Oc2ccc(C#N)cc2)n1 ZINC000266680978 1434363178 /nfs/dbraw/zinc/36/31/78/1434363178.db2.gz KYRUIECJOIEMTE-LSDHHAIUSA-N 0 0 386.452 3.101 20 30 GGEDRN CCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000266684761 1434363575 /nfs/dbraw/zinc/36/35/75/1434363575.db2.gz UGOLKADUPYRSOB-OAQYLSRUSA-N 0 0 399.422 3.095 20 30 GGEDRN CC(C)CO[C@@H](C)c1noc(CN(C)CC(=O)N(CCC#N)c2ccccc2)n1 ZINC000266693542 1434364442 /nfs/dbraw/zinc/36/44/42/1434364442.db2.gz CUAACFWDZOHXJK-KRWDZBQOSA-N 0 0 399.495 3.182 20 30 GGEDRN C[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000266725496 1434367937 /nfs/dbraw/zinc/36/79/37/1434367937.db2.gz IWAKPHIRAHDQHJ-RHSMWYFYSA-N 0 0 397.479 3.343 20 30 GGEDRN N#Cc1ccc(-c2nnc(CN3CCC(C(=O)NC4CCCCC4)CC3)o2)cc1 ZINC000266746521 1434370615 /nfs/dbraw/zinc/37/06/15/1434370615.db2.gz OLYBABOVCMBKBT-UHFFFAOYSA-N 0 0 393.491 3.269 20 30 GGEDRN CCC1(O)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CC1 ZINC000266775271 1434374158 /nfs/dbraw/zinc/37/41/58/1434374158.db2.gz YDXZRHCQENNPMA-UHFFFAOYSA-N 0 0 394.519 3.200 20 30 GGEDRN CCN(CC1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1)C(=O)OC(C)(C)C ZINC000266775881 1434374182 /nfs/dbraw/zinc/37/41/82/1434374182.db2.gz ZIDLAIPLYMQCMQ-UHFFFAOYSA-N 0 0 389.456 3.335 20 30 GGEDRN CC(C)CO[C@@H](C)c1noc(CN(C)[C@H](C)C(=O)Nc2ccccc2C#N)n1 ZINC000266777324 1434374288 /nfs/dbraw/zinc/37/42/88/1434374288.db2.gz UHSCKHIRBFWXEC-CABCVRRESA-N 0 0 385.468 3.134 20 30 GGEDRN O=C(CCNC(=O)C1N=CC=CC1=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000266788395 1434375569 /nfs/dbraw/zinc/37/55/69/1434375569.db2.gz XKFGKFVKXILOEZ-UGNPLGLKSA-N 0 0 392.459 3.138 20 30 GGEDRN CCOc1ccc(-c2noc(CCC(=O)N(CCC#N)CC(F)(F)F)n2)cc1 ZINC000266800075 1434376678 /nfs/dbraw/zinc/37/66/78/1434376678.db2.gz YVYHYNHVZOKDLT-UHFFFAOYSA-N 0 0 396.369 3.372 20 30 GGEDRN COc1cc(N[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc(OC)c1OC ZINC000266819995 1434378659 /nfs/dbraw/zinc/37/86/59/1434378659.db2.gz SXFUTTIHFQTRDD-OAHLLOKOSA-N 0 0 383.448 3.460 20 30 GGEDRN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000266827684 1434379585 /nfs/dbraw/zinc/37/95/85/1434379585.db2.gz YWKAJOZGXFVMKG-KTVWJZFRSA-N 0 0 399.491 3.205 20 30 GGEDRN Cc1ccc(NC(=O)CCNC(=O)C2N=CC=CC2=O)cc1OCCC(C)C ZINC000266835176 1434380327 /nfs/dbraw/zinc/38/03/27/1434380327.db2.gz JAZMAEORKTWHMI-MRCUWXFGSA-N 0 0 385.464 3.275 20 30 GGEDRN CC(C)(C)C(=O)Cn1cc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)nn1 ZINC000266839627 1434380853 /nfs/dbraw/zinc/38/08/53/1434380853.db2.gz NLQCGSVUPJEREC-GFCCVEGCSA-N 0 0 394.262 3.195 20 30 GGEDRN C=CCc1cc(C(=O)N(C)c2nc(C(=O)OCC)cs2)cc(OC)c1OC ZINC000266880204 1434384711 /nfs/dbraw/zinc/38/47/11/1434384711.db2.gz XBOYRWXKKIFCSY-UHFFFAOYSA-N 0 0 390.461 3.342 20 30 GGEDRN CO[C@]1(C)C[C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1(C)C ZINC000266904881 1434387123 /nfs/dbraw/zinc/38/71/23/1434387123.db2.gz UYURJYXKIGQKQA-GQWAEJPESA-N 0 0 389.521 3.339 20 30 GGEDRN CO[C@H](CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)(C)C ZINC000266906432 1434387127 /nfs/dbraw/zinc/38/71/27/1434387127.db2.gz VITRDNDOOGJTFM-XJKSGUPXSA-N 0 0 377.510 3.054 20 30 GGEDRN CO[C@@H](CNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)(C)C ZINC000266906428 1434387158 /nfs/dbraw/zinc/38/71/58/1434387158.db2.gz VITRDNDOOGJTFM-CJNGLKHVSA-N 0 0 377.510 3.054 20 30 GGEDRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ncccc1OCCCC#N ZINC000266911868 1434387734 /nfs/dbraw/zinc/38/77/34/1434387734.db2.gz DLQSFUYCSBAYOB-CQSZACIVSA-N 0 0 376.457 3.206 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)c1c(F)cccc1F ZINC000266914150 1434387915 /nfs/dbraw/zinc/38/79/15/1434387915.db2.gz CNFNPLMEFUNGFF-GFCCVEGCSA-N 0 0 387.386 3.440 20 30 GGEDRN C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C(C)(C)C1 ZINC000266930172 1434389748 /nfs/dbraw/zinc/38/97/48/1434389748.db2.gz PLERGMMZUDLSEY-NNLSSIJJSA-N 0 0 392.525 3.152 20 30 GGEDRN CC(C)CN(CCCC(C)(C)C#N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000266936251 1434390141 /nfs/dbraw/zinc/39/01/41/1434390141.db2.gz VBLOGPIZLQDQLY-UHFFFAOYSA-N 0 0 397.523 3.372 20 30 GGEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CC1(CS(C)(=O)=O)CC1 ZINC000266934291 1434390238 /nfs/dbraw/zinc/39/02/38/1434390238.db2.gz OBEOLLAOGXBLMH-UHFFFAOYSA-N 0 0 399.472 3.207 20 30 GGEDRN N#CCCn1cc(C(=O)CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c2ccccc21 ZINC000266943874 1434391030 /nfs/dbraw/zinc/39/10/30/1434391030.db2.gz QTAHXEIYYWGOAF-SJLPKXTDSA-N 0 0 379.382 3.125 20 30 GGEDRN C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C(C)(C)C1 ZINC000266957355 1434392763 /nfs/dbraw/zinc/39/27/63/1434392763.db2.gz XYRAUTIUUXWVKW-HGNXGAGXSA-N 0 0 392.525 3.152 20 30 GGEDRN N#CCCN(CCN1CCOCC1)C(=O)Nc1ccccc1-c1cccs1 ZINC000266959177 1434392947 /nfs/dbraw/zinc/39/29/47/1434392947.db2.gz JJVMWXUTAPGVTB-UHFFFAOYSA-N 0 0 384.505 3.495 20 30 GGEDRN CCN(CCC#N)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccco1 ZINC000266964376 1434393810 /nfs/dbraw/zinc/39/38/10/1434393810.db2.gz XSHWRTRZWBTDGF-IBGZPJMESA-N 0 0 380.448 3.201 20 30 GGEDRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1ccccc1OCC#N ZINC000266980765 1434395425 /nfs/dbraw/zinc/39/54/25/1434395425.db2.gz ZRHXFUXVNCBYQW-UHFFFAOYSA-N 0 0 375.469 3.212 20 30 GGEDRN CCO[C@H](CCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C1CCCC1 ZINC000266988153 1434396216 /nfs/dbraw/zinc/39/62/16/1434396216.db2.gz GQYMHVHCIYYLRI-HXUWFJFHSA-N 0 0 397.523 3.252 20 30 GGEDRN CCc1cnc(CN(C)C(=O)CCC(=O)N(CCC#N)c2ccccc2)s1 ZINC000267026333 1434400305 /nfs/dbraw/zinc/40/03/05/1434400305.db2.gz XOPNPQWEKXHOTR-UHFFFAOYSA-N 0 0 384.505 3.391 20 30 GGEDRN COC[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccco1 ZINC000267038197 1434402115 /nfs/dbraw/zinc/40/21/15/1434402115.db2.gz JITURLZGAGYNIP-UKRRQHHQSA-N 0 0 387.461 3.116 20 30 GGEDRN CCc1cc(N2CCC(Nc3nc(C(F)(F)F)ccc3C#N)CC2)ncn1 ZINC000267102124 1434407635 /nfs/dbraw/zinc/40/76/35/1434407635.db2.gz PDVBWUAFNDQBEL-UHFFFAOYSA-N 0 0 376.386 3.405 20 30 GGEDRN C=C(C)CN(CC)C(=O)C[S@](=O)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000267108648 1434408052 /nfs/dbraw/zinc/40/80/52/1434408052.db2.gz YCIGBRBETSKZLQ-WZQKQDCOSA-N 0 0 375.494 3.279 20 30 GGEDRN C=C(C)CN(CC)C(=O)C[S@@](=O)[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000267108646 1434408096 /nfs/dbraw/zinc/40/80/96/1434408096.db2.gz YCIGBRBETSKZLQ-QWXGXRTQSA-N 0 0 375.494 3.279 20 30 GGEDRN CCOc1ccc([C@@H](C)NC(=O)CN(CCC#N)Cc2ccco2)cc1OC ZINC000267116399 1434408544 /nfs/dbraw/zinc/40/85/44/1434408544.db2.gz YZBQMSRQHRYQTA-MRXNPFEDSA-N 0 0 385.464 3.280 20 30 GGEDRN Cc1cccc(N2C(=O)N[C@H](CCC(=O)O[C@H](C)c3ccc(C#N)cc3)C2=O)c1 ZINC000267127352 1434409293 /nfs/dbraw/zinc/40/92/93/1434409293.db2.gz GLFLTOBOYDQWOV-DNVCBOLYSA-N 0 0 391.427 3.376 20 30 GGEDRN Cc1cccc(N2C(=O)N[C@@H](CCC(=O)O[C@@H](C)c3ccc(C#N)cc3)C2=O)c1 ZINC000267127358 1434409294 /nfs/dbraw/zinc/40/92/94/1434409294.db2.gz GLFLTOBOYDQWOV-KXBFYZLASA-N 0 0 391.427 3.376 20 30 GGEDRN N#CCN1CCC[C@@H](CNC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)C1 ZINC000267156080 1434411172 /nfs/dbraw/zinc/41/11/72/1434411172.db2.gz JKTCZGNRXLTHGP-HNNXBMFYSA-N 0 0 384.867 3.493 20 30 GGEDRN C=CCOCCCC(=O)Nc1ccc(C)cc1Oc1ccnc(C(=O)NC)c1 ZINC000267169054 1434411935 /nfs/dbraw/zinc/41/19/35/1434411935.db2.gz TWPILPRQODCYBS-UHFFFAOYSA-N 0 0 383.448 3.463 20 30 GGEDRN CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccccc1S(=O)(=O)CC ZINC000267194265 1434413364 /nfs/dbraw/zinc/41/33/64/1434413364.db2.gz DQJIKQKFANRUFH-HNNXBMFYSA-N 0 0 386.473 3.172 20 30 GGEDRN CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccccc1S(=O)(=O)CC ZINC000267194266 1434413581 /nfs/dbraw/zinc/41/35/81/1434413581.db2.gz DQJIKQKFANRUFH-OAHLLOKOSA-N 0 0 386.473 3.172 20 30 GGEDRN CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000267198512 1434413754 /nfs/dbraw/zinc/41/37/54/1434413754.db2.gz CNBNLPYHSKDSGX-UHFFFAOYSA-N 0 0 387.480 3.094 20 30 GGEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H]2CCCSC2)CC1 ZINC000267200447 1434413778 /nfs/dbraw/zinc/41/37/78/1434413778.db2.gz CVKRQBCTWKWRGP-AWEZNQCLSA-N 0 0 386.477 3.034 20 30 GGEDRN CCN(C[C@H]1CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)C1)CC(F)(F)F ZINC000267197583 1434413794 /nfs/dbraw/zinc/41/37/94/1434413794.db2.gz IYJIBNADEVDKMY-GOEBONIOSA-N 0 0 383.414 3.058 20 30 GGEDRN CCN(C[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C1)CC(F)(F)F ZINC000267197582 1434413831 /nfs/dbraw/zinc/41/38/31/1434413831.db2.gz IYJIBNADEVDKMY-GDBMZVCRSA-N 0 0 383.414 3.058 20 30 GGEDRN N#CCN1CCC[C@@H](CNC(=O)c2cccc(COc3cccc(F)c3)c2)C1 ZINC000267223160 1434415239 /nfs/dbraw/zinc/41/52/39/1434415239.db2.gz UTKMHOPLOQHTCJ-SFHVURJKSA-N 0 0 381.451 3.370 20 30 GGEDRN Cn1c(C(=O)NC[C@@H]2CCCN(CC#N)C2)cc2cc(C(F)(F)F)ccc21 ZINC000267230071 1434415417 /nfs/dbraw/zinc/41/54/17/1434415417.db2.gz VVJDZIROZLVJGM-ZDUSSCGKSA-N 0 0 378.398 3.162 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000267241155 1434416057 /nfs/dbraw/zinc/41/60/57/1434416057.db2.gz BJMDLMXPDJRUGC-ZTQAJYAQSA-N 0 0 389.521 3.077 20 30 GGEDRN CC(=O)[C@H](C)SCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000267243232 1434416318 /nfs/dbraw/zinc/41/63/18/1434416318.db2.gz YLCMMBLVHKXESG-GJZGRUSLSA-N 0 0 389.521 3.067 20 30 GGEDRN Cc1cc(=O)c(C(=O)N[C@@H](C#N)C(C)(C)C)nn1-c1ccccc1C(F)(F)F ZINC000267251670 1434416942 /nfs/dbraw/zinc/41/69/42/1434416942.db2.gz OJXHHNSUZYDUSS-HNNXBMFYSA-N 0 0 392.381 3.228 20 30 GGEDRN CCC(=O)c1ccc(OCCCCC(=O)NC[C@H]2CCCN(CC#N)C2)cc1 ZINC000267254825 1434417392 /nfs/dbraw/zinc/41/73/92/1434417392.db2.gz ZSRQGVARYQWMGY-GOSISDBHSA-N 0 0 385.508 3.180 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(OCCCc2ccccc2)C1 ZINC000267266182 1434417967 /nfs/dbraw/zinc/41/79/67/1434417967.db2.gz RLGQEAQHNGJXAP-UHFFFAOYSA-N 0 0 393.487 3.069 20 30 GGEDRN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000267290069 1434419624 /nfs/dbraw/zinc/41/96/24/1434419624.db2.gz BSZLRMJXIDWEIZ-AWEZNQCLSA-N 0 0 381.432 3.065 20 30 GGEDRN N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@@H]3CCCSC3)c2)c1 ZINC000267299556 1434420545 /nfs/dbraw/zinc/42/05/45/1434420545.db2.gz JXNWNNIJTSWSDW-GOSISDBHSA-N 0 0 395.484 3.088 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267313716 1434421962 /nfs/dbraw/zinc/42/19/62/1434421962.db2.gz DODFBIPUWRIGJT-HUUCEWRRSA-N 0 0 397.504 3.006 20 30 GGEDRN N#Cc1ccc(CN2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)cc1 ZINC000267317566 1434422426 /nfs/dbraw/zinc/42/24/26/1434422426.db2.gz CAFBFNKHGAWCDN-UHFFFAOYSA-N 0 0 384.823 3.078 20 30 GGEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000267323359 1434422885 /nfs/dbraw/zinc/42/28/85/1434422885.db2.gz DPBIUTKTHCVIEU-YJBOKZPZSA-N 0 0 379.464 3.007 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCSC2)cc1 ZINC000267323651 1434422890 /nfs/dbraw/zinc/42/28/90/1434422890.db2.gz NOUNIQKZDYDWTF-MRXNPFEDSA-N 0 0 381.457 3.301 20 30 GGEDRN N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@H]3CCCSC3)c2)cc1 ZINC000267344712 1434424497 /nfs/dbraw/zinc/42/44/97/1434424497.db2.gz QHGNFNSORVLRDI-INIZCTEOSA-N 0 0 381.457 3.301 20 30 GGEDRN CCN(CCC#N)C(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC000267350333 1434424917 /nfs/dbraw/zinc/42/49/17/1434424917.db2.gz GFFGVTCJLLFXME-UHFFFAOYSA-N 0 0 397.500 3.204 20 30 GGEDRN N#CCCN(CC1CC1)C(=O)c1ccc(C(=O)N(CCC#N)CC2CC2)s1 ZINC000267367984 1434426364 /nfs/dbraw/zinc/42/63/64/1434426364.db2.gz JGSFECXUILCENW-UHFFFAOYSA-N 0 0 384.505 3.280 20 30 GGEDRN CCN(CCC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000267370640 1434426608 /nfs/dbraw/zinc/42/66/08/1434426608.db2.gz JWIZTQTYCDCQJM-CQSZACIVSA-N 0 0 397.928 3.136 20 30 GGEDRN COc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)c(OC2CCCC2)c1 ZINC000267380730 1434427560 /nfs/dbraw/zinc/42/75/60/1434427560.db2.gz UYDRZEAUEBBAJZ-UHFFFAOYSA-N 0 0 393.443 3.143 20 30 GGEDRN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000267391431 1434428592 /nfs/dbraw/zinc/42/85/92/1434428592.db2.gz KHORKQDNMFFMFS-AWEZNQCLSA-N 0 0 381.432 3.065 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](CCO)c1ccccc1 ZINC000267391869 1434428671 /nfs/dbraw/zinc/42/86/71/1434428671.db2.gz OZUUMKAGBPMFEZ-WBVHZDCISA-N 0 0 397.500 3.117 20 30 GGEDRN CCN(CCC#N)C(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000267393260 1434428716 /nfs/dbraw/zinc/42/87/16/1434428716.db2.gz NXWVLGPGZWHVSC-UHFFFAOYSA-N 0 0 385.489 3.480 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](CCO)c1ccccc1 ZINC000267391862 1434428741 /nfs/dbraw/zinc/42/87/41/1434428741.db2.gz OZUUMKAGBPMFEZ-NVXWUHKLSA-N 0 0 397.500 3.117 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](CCO)c1ccccc1 ZINC000267391866 1434428773 /nfs/dbraw/zinc/42/87/73/1434428773.db2.gz OZUUMKAGBPMFEZ-RDJZCZTQSA-N 0 0 397.500 3.117 20 30 GGEDRN CCCCN(C)C(=O)C1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000267410577 1434430145 /nfs/dbraw/zinc/43/01/45/1434430145.db2.gz RPZQNPZLOUQHNG-UHFFFAOYSA-N 0 0 390.553 3.146 20 30 GGEDRN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCCSC3)cc2)cc1 ZINC000267412192 1434430306 /nfs/dbraw/zinc/43/03/06/1434430306.db2.gz YKTKBELWYMVWJW-INIZCTEOSA-N 0 0 381.457 3.301 20 30 GGEDRN CN(C[C@H]1CCOC1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000267415257 1434430574 /nfs/dbraw/zinc/43/05/74/1434430574.db2.gz AZOQDCXKDQXZIK-CQSZACIVSA-N 0 0 389.506 3.202 20 30 GGEDRN C=CCOc1ccc(C(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)cc1OC ZINC000267420336 1434430892 /nfs/dbraw/zinc/43/08/92/1434430892.db2.gz RSVDSFJJCWKSRC-IBGZPJMESA-N 0 0 389.492 3.450 20 30 GGEDRN CC1CCN(c2ccc(NC(=O)N(CCC#N)CCN3CCOCC3)cc2)CC1 ZINC000267435472 1434432764 /nfs/dbraw/zinc/43/27/64/1434432764.db2.gz IBQKAPAHGLJYLE-UHFFFAOYSA-N 0 0 399.539 3.003 20 30 GGEDRN Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H](c3ncc[nH]3)C2)ccc1Cl ZINC000267442305 1434433668 /nfs/dbraw/zinc/43/36/68/1434433668.db2.gz PJDCUGMYHYGYPP-MRXNPFEDSA-N 0 0 385.899 3.498 20 30 GGEDRN CCCn1ccc2cc(NC(=O)N(CCC#N)CCN3CCOCC3)ccc21 ZINC000267447552 1434434449 /nfs/dbraw/zinc/43/44/49/1434434449.db2.gz LRHPCYVRRVZCRF-UHFFFAOYSA-N 0 0 383.496 3.131 20 30 GGEDRN N#CCCN(CCN1CCOCC1)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000267449991 1434434893 /nfs/dbraw/zinc/43/48/93/1434434893.db2.gz MMDXYDZCOWKOBM-UHFFFAOYSA-N 0 0 399.520 3.253 20 30 GGEDRN N#CCCN(CC1CC1)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC000267451336 1434434907 /nfs/dbraw/zinc/43/49/07/1434434907.db2.gz NBZJJYOTGTYXKI-GOSISDBHSA-N 0 0 385.468 3.145 20 30 GGEDRN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NCc1ccc(OCC#N)cc1 ZINC000267462168 1434436289 /nfs/dbraw/zinc/43/62/89/1434436289.db2.gz LVFPNXCZYAFXIR-UHFFFAOYSA-N 0 0 396.447 3.011 20 30 GGEDRN COCC[S@@](=O)Cc1cccc(NC(=O)N(CCC#N)CCC(C)C)c1 ZINC000267462195 1434436293 /nfs/dbraw/zinc/43/62/93/1434436293.db2.gz LXMZNUOCAHJOFR-AREMUKBSSA-N 0 0 379.526 3.375 20 30 GGEDRN COC(=O)c1ccc(NC(=O)N(CCC#N)CCC(C)C)cc1C(=O)OC ZINC000267470131 1434437273 /nfs/dbraw/zinc/43/72/73/1434437273.db2.gz OPAYWCAUAZXTSA-UHFFFAOYSA-N 0 0 375.425 3.053 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000267487507 1434439883 /nfs/dbraw/zinc/43/98/83/1434439883.db2.gz VRZLYUKRMSKCRL-CWTRNNRKSA-N 0 0 381.407 3.084 20 30 GGEDRN CC(C)(C)[C@H](C#N)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000267510089 1434442235 /nfs/dbraw/zinc/44/22/35/1434442235.db2.gz ILNDZDUHHVGTFW-KRWDZBQOSA-N 0 0 389.452 3.295 20 30 GGEDRN C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 ZINC000267514018 1434442675 /nfs/dbraw/zinc/44/26/75/1434442675.db2.gz IGTUBEJYGVSQFP-CQSZACIVSA-N 0 0 375.469 3.073 20 30 GGEDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000267527065 1434443751 /nfs/dbraw/zinc/44/37/51/1434443751.db2.gz IQLGDIQLVTWEQT-IBGZPJMESA-N 0 0 395.488 3.410 20 30 GGEDRN COC(=O)C(C)(C)c1ccc(N[C@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000267543873 1434444827 /nfs/dbraw/zinc/44/48/27/1434444827.db2.gz CRLPWZXFIGSCCB-INIZCTEOSA-N 0 0 383.473 3.288 20 30 GGEDRN COc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(F)cc2C#N)c(OC)c1 ZINC000267548078 1434445094 /nfs/dbraw/zinc/44/50/94/1434445094.db2.gz HNZVVHPSMBHPEX-SFHVURJKSA-N 0 0 397.406 3.017 20 30 GGEDRN COC(=O)[C@H](Nc1ccc(OC)c(N2CCCCC2=O)c1)c1cccc(C#N)c1 ZINC000267560333 1434445887 /nfs/dbraw/zinc/44/58/87/1434445887.db2.gz GYYRRAUJPORCQX-OAQYLSRUSA-N 0 0 393.443 3.410 20 30 GGEDRN CC(C)C(=O)N1CCCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC1 ZINC000267562095 1434446153 /nfs/dbraw/zinc/44/61/53/1434446153.db2.gz UZNIWDXYTHBTFS-UHFFFAOYSA-N 0 0 388.418 3.403 20 30 GGEDRN CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000267570182 1434446621 /nfs/dbraw/zinc/44/66/21/1434446621.db2.gz NMGFTFDOSGFVSO-WFASDCNBSA-N 0 0 397.447 3.279 20 30 GGEDRN COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000267573281 1434446759 /nfs/dbraw/zinc/44/67/59/1434446759.db2.gz DWLZKJLVLADIGU-JLSDUUJJSA-N 0 0 387.480 3.007 20 30 GGEDRN CC(C)(C)NC(=O)c1ccc(N[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000267578258 1434447339 /nfs/dbraw/zinc/44/73/39/1434447339.db2.gz QEXXWXNQQGXPFP-MRXNPFEDSA-N 0 0 382.489 3.365 20 30 GGEDRN C#CCN(CC)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC000267606312 1434449307 /nfs/dbraw/zinc/44/93/07/1434449307.db2.gz WFIUAWDXHIJAEV-UHFFFAOYSA-N 0 0 396.287 3.067 20 30 GGEDRN COc1cc(C(=O)N(C)C)ccc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000267624064 1434451033 /nfs/dbraw/zinc/45/10/33/1434451033.db2.gz FEPQVAVWLICHER-UHFFFAOYSA-N 0 0 395.459 3.456 20 30 GGEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000267627438 1434451314 /nfs/dbraw/zinc/45/13/14/1434451314.db2.gz YRCAJUSDYZOPDC-PMACEKPBSA-N 0 0 393.443 3.017 20 30 GGEDRN CC(C)CCO[C@@H]1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000267667300 1434454011 /nfs/dbraw/zinc/45/40/11/1434454011.db2.gz BVCKCMDXZFUDFB-HXUWFJFHSA-N 0 0 385.508 3.377 20 30 GGEDRN CCCS(=O)(=O)Nc1cccc(N[C@@H](C(=O)OC)c2cccc(C#N)c2)c1 ZINC000267686970 1434455627 /nfs/dbraw/zinc/45/56/27/1434455627.db2.gz NHOBCVHJEOXKRM-GOSISDBHSA-N 0 0 387.461 3.036 20 30 GGEDRN C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N=C3CCCCCN3)cc2)C[C@H]1C ZINC000267695773 1434456033 /nfs/dbraw/zinc/45/60/33/1434456033.db2.gz HXSULRLSRFUNIS-HUUCEWRRSA-N 0 0 392.525 3.057 20 30 GGEDRN N#Cc1ccsc1N1CC[C@H](N2CCC([C@H](O)c3ccccc3)CC2)C1=O ZINC000267699668 1434456466 /nfs/dbraw/zinc/45/64/66/1434456466.db2.gz QBRGPCYCBTZKNH-RBUKOAKNSA-N 0 0 381.501 3.171 20 30 GGEDRN COC(=O)[C@@]1(F)CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000267704803 1434456854 /nfs/dbraw/zinc/45/68/54/1434456854.db2.gz CCSZFDBEQOAFDR-HXUWFJFHSA-N 0 0 383.379 3.469 20 30 GGEDRN CCOC(=O)c1cc(/N=C/c2cccc(OCC)c2O)cc(S(C)(=O)=O)c1 ZINC000267717493 1434458072 /nfs/dbraw/zinc/45/80/72/1434458072.db2.gz ANXRIYLKWHKKQB-UDWIEESQSA-N 0 0 391.445 3.122 20 30 GGEDRN COC(=O)[C@]1(F)CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000267723907 1434458670 /nfs/dbraw/zinc/45/86/70/1434458670.db2.gz FJLZRTWEALRKCK-FQEVSTJZSA-N 0 0 383.379 3.469 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)NCc1csc([C@@H](C)OC)n1 ZINC000267724189 1434458683 /nfs/dbraw/zinc/45/86/83/1434458683.db2.gz LLWMHEWLEKHGKR-CYBMUJFWSA-N 0 0 389.477 3.206 20 30 GGEDRN CO[C@H](C)c1nc(CN2CCCN(C(=O)C3(C#N)CCCCC3)CC2)cs1 ZINC000267741590 1434460190 /nfs/dbraw/zinc/46/01/90/1434460190.db2.gz OATYYEUDZZXPEE-MRXNPFEDSA-N 0 0 390.553 3.359 20 30 GGEDRN N#Cc1csc(C(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000267745354 1434460566 /nfs/dbraw/zinc/46/05/66/1434460566.db2.gz OPJLWHKJOFJHGU-CYBMUJFWSA-N 0 0 386.452 3.433 20 30 GGEDRN COCCc1nc2cc(N[C@H]3CCN(c4sccc4C#N)C3=O)ccc2o1 ZINC000267757816 1434461694 /nfs/dbraw/zinc/46/16/94/1434461694.db2.gz PXIUCEVNLGTXFP-AWEZNQCLSA-N 0 0 382.445 3.167 20 30 GGEDRN CO[C@@H](C)c1nc(CN2CCCN(c3ncc(C#N)cc3Cl)CC2)cs1 ZINC000267769369 1434462968 /nfs/dbraw/zinc/46/29/68/1434462968.db2.gz KTDCFJMOZXKGTC-ZDUSSCGKSA-N 0 0 391.928 3.483 20 30 GGEDRN N#Cc1cccc(Oc2ccc(NC(=O)N3CCC4(CNC(=O)C4)CC3)cc2)c1 ZINC000267772821 1434463181 /nfs/dbraw/zinc/46/31/81/1434463181.db2.gz LFOQVPQIMDWJAK-UHFFFAOYSA-N 0 0 390.443 3.485 20 30 GGEDRN CS(=O)(=O)CC1(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000267781147 1434463835 /nfs/dbraw/zinc/46/38/35/1434463835.db2.gz MGEKELJGZFQHKQ-UHFFFAOYSA-N 0 0 399.472 3.297 20 30 GGEDRN CCC[C@@H]1C[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1 ZINC000267789668 1434464989 /nfs/dbraw/zinc/46/49/89/1434464989.db2.gz XHLGKWDRBWKJAH-RHSMWYFYSA-N 0 0 392.525 3.248 20 30 GGEDRN COC(=O)[C@@]1(F)CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000267793925 1434465428 /nfs/dbraw/zinc/46/54/28/1434465428.db2.gz YCCJZWLSCFKFQL-HXUWFJFHSA-N 0 0 383.379 3.469 20 30 GGEDRN CO[C@@H](C)c1nc(CN2CCCN(C(=O)c3cccc(C#N)c3)CC2)cs1 ZINC000267803890 1434466427 /nfs/dbraw/zinc/46/64/27/1434466427.db2.gz YDXQCZJGWOHLJB-HNNXBMFYSA-N 0 0 384.505 3.070 20 30 GGEDRN CO[C@H](C)c1nc(CN2CCCN(c3nc(C)cc(C)c3C#N)CC2)cs1 ZINC000267805703 1434466638 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GGEDRN COC(=O)c1c(C2CC2)csc1NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000267879685 1434473182 /nfs/dbraw/zinc/47/31/82/1434473182.db2.gz XILZNQIJEQTGLE-NSHDSACASA-N 0 0 397.456 3.100 20 30 GGEDRN N#Cc1ccc(C(F)(F)F)nc1N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000267903102 1434475613 /nfs/dbraw/zinc/47/56/13/1434475613.db2.gz WTXXJGVVNPOLAE-CHWSQXEVSA-N 0 0 383.395 3.362 20 30 GGEDRN COc1ccc(C2=NN(C(=O)CN(C)[C@H](C)CC#N)[C@H](c3ccco3)C2)cc1 ZINC000267912484 1434476264 /nfs/dbraw/zinc/47/62/64/1434476264.db2.gz FMBAOQFUQOECLN-BEFAXECRSA-N 0 0 380.448 3.200 20 30 GGEDRN COC(=O)[C@H](C)CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000267917334 1434476790 /nfs/dbraw/zinc/47/67/90/1434476790.db2.gz HDEUUSFUJITQKG-OAHLLOKOSA-N 0 0 381.432 3.262 20 30 GGEDRN COC(=O)C[C@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CCO1 ZINC000267925195 1434477570 /nfs/dbraw/zinc/47/75/70/1434477570.db2.gz YMFFJGVUODWNSA-KRWDZBQOSA-N 0 0 396.468 3.114 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)N[C@@H](CC)c1nnc2n1CCCCC2 ZINC000267927928 1434477784 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BSPJRKWANNRVBH-PKOBYXMFSA-N 0 0 389.402 3.179 20 30 GGEDRN CC[C@H](NC(=O)NCc1ccc(OCC#N)cc1)[C@H](O)c1c(F)cccc1F ZINC000267947859 1434480141 /nfs/dbraw/zinc/48/01/41/1434480141.db2.gz BSPJRKWANNRVBH-HKUYNNGSSA-N 0 0 389.402 3.179 20 30 GGEDRN COC(=O)C[C@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000267972999 1434482621 /nfs/dbraw/zinc/48/26/21/1434482621.db2.gz NFYVWILGVRZCHN-HNNXBMFYSA-N 0 0 381.432 3.405 20 30 GGEDRN COc1cc(NC2CCN(C(=O)c3ccccc3OCC#N)CC2)cc(OC)c1 ZINC000267982183 1434483591 /nfs/dbraw/zinc/48/35/91/1434483591.db2.gz IMQQXAKBNSUVPL-UHFFFAOYSA-N 0 0 395.459 3.323 20 30 GGEDRN COC(=O)C[C@H](C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000267984409 1434483806 /nfs/dbraw/zinc/48/38/06/1434483806.db2.gz PUYPDSHVPKCZDX-HNNXBMFYSA-N 0 0 381.432 3.405 20 30 GGEDRN CCOc1cc(C#N)ccc1OC(=O)[C@H](C)CS(=O)(=O)c1ccc(F)cc1 ZINC000267995795 1434485328 /nfs/dbraw/zinc/48/53/28/1434485328.db2.gz TZCWAFZLIIBFHU-CYBMUJFWSA-N 0 0 391.420 3.111 20 30 GGEDRN CO/N=C/c1ccc(C(=O)N2CCC(Nc3cc(OC)cc(OC)c3)CC2)cc1 ZINC000267996455 1434485362 /nfs/dbraw/zinc/48/53/62/1434485362.db2.gz LURMPYOLILDHHS-HZHRSRAPSA-N 0 0 397.475 3.401 20 30 GGEDRN COc1cc(OC)cc(OCCCN(C)C(=O)Cc2ccc(OCC#N)cc2)c1 ZINC000268012532 1434486922 /nfs/dbraw/zinc/48/69/22/1434486922.db2.gz VIEBUTSHBRYIDM-UHFFFAOYSA-N 0 0 398.459 3.076 20 30 GGEDRN COCCCOc1cc(C)ccc1CNC(=O)Cc1ccc(OCC#N)cc1 ZINC000268012136 1434487000 /nfs/dbraw/zinc/48/70/00/1434487000.db2.gz CURAPIOZIZDRRE-UHFFFAOYSA-N 0 0 382.460 3.172 20 30 GGEDRN C[C@@H](c1ccco1)N(CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000268016092 1434487363 /nfs/dbraw/zinc/48/73/63/1434487363.db2.gz TYZKIQNNQMACSD-XJKSGUPXSA-N 0 0 376.416 3.330 20 30 GGEDRN C[C@@H](c1ccco1)N(CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000268016081 1434487365 /nfs/dbraw/zinc/48/73/65/1434487365.db2.gz TYZKIQNNQMACSD-BBRMVZONSA-N 0 0 376.416 3.330 20 30 GGEDRN COc1cc(OC)c(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1F ZINC000268024193 1434488107 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C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000272442360 1434896610 /nfs/dbraw/zinc/89/66/10/1434896610.db2.gz AMDLRYAIDQUNHC-KSSFIOAISA-N 0 0 381.407 3.419 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000272442350 1434896630 /nfs/dbraw/zinc/89/66/30/1434896630.db2.gz AMDLRYAIDQUNHC-KDOFPFPSSA-N 0 0 381.407 3.419 20 30 GGEDRN CC[C@@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)Oc1ccccc1F ZINC000272446265 1434896835 /nfs/dbraw/zinc/89/68/35/1434896835.db2.gz AWSFNWQHLNYGSA-GJZGRUSLSA-N 0 0 399.422 3.029 20 30 GGEDRN COC(=O)C1CCN(C(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000272448825 1434897036 /nfs/dbraw/zinc/89/70/36/1434897036.db2.gz VKMJYRMJHLWQLP-UHFFFAOYSA-N 0 0 386.395 3.081 20 30 GGEDRN CCCCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)C1(C)C ZINC000272451238 1434897156 /nfs/dbraw/zinc/89/71/56/1434897156.db2.gz BIABSPVZPCNDOU-ZTFGCOKTSA-N 0 0 387.480 3.016 20 30 GGEDRN Cc1ccc(C)n1C1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000272449590 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399.447 3.039 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000272473379 1434898818 /nfs/dbraw/zinc/89/88/18/1434898818.db2.gz DPZPJOINWDIXKS-DOMZBBRYSA-N 0 0 399.447 3.408 20 30 GGEDRN CC[C@@H](NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccc(OC)cc1 ZINC000272481314 1434899451 /nfs/dbraw/zinc/89/94/51/1434899451.db2.gz FPWKBEOJZCUWBD-WMLDXEAASA-N 0 0 381.432 3.192 20 30 GGEDRN COc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 ZINC000272483156 1434899654 /nfs/dbraw/zinc/89/96/54/1434899654.db2.gz FXWACOAQQIUYRV-GJZGRUSLSA-N 0 0 381.432 3.144 20 30 GGEDRN COc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)C2CC2)cc1 ZINC000272483064 1434899661 /nfs/dbraw/zinc/89/96/61/1434899661.db2.gz FVPUTAORHGWSFR-VLIAUNLRSA-N 0 0 393.443 3.192 20 30 GGEDRN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N1CCC(C)(C#N)CC1 ZINC000272497676 1434900910 /nfs/dbraw/zinc/90/09/10/1434900910.db2.gz IANUHBFYSLLOCP-UHFFFAOYSA-N 0 0 382.386 3.445 20 30 GGEDRN 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/nfs/dbraw/zinc/90/22/28/1434902228.db2.gz JVXDWJPMLABGRC-HNNXBMFYSA-N 0 0 394.431 3.094 20 30 GGEDRN CC[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)Oc1cccc(C)c1 ZINC000272514869 1434902855 /nfs/dbraw/zinc/90/28/55/1434902855.db2.gz JGXRNTJNZNNSMA-IAGOWNOFSA-N 0 0 395.459 3.198 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC(OC2CCCCC2)CC1 ZINC000272519410 1434903293 /nfs/dbraw/zinc/90/32/93/1434903293.db2.gz JTBVFKMVLVRBTB-MRXNPFEDSA-N 0 0 399.491 3.256 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(OCC(=O)N(C)C)c1 ZINC000272521520 1434903592 /nfs/dbraw/zinc/90/35/92/1434903592.db2.gz LHDKCBIVDFRXTQ-AWEZNQCLSA-N 0 0 382.420 3.088 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](COc3ccccc3)C2)cc1Cl ZINC000272543143 1434906079 /nfs/dbraw/zinc/90/60/79/1434906079.db2.gz FXWGCTZHRFINKM-CQSZACIVSA-N 0 0 383.835 3.078 20 30 GGEDRN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)C1CC1 ZINC000272547970 1434906650 /nfs/dbraw/zinc/90/66/50/1434906650.db2.gz NALWJBKRFZUEFL-FOIQADDNSA-N 0 0 377.444 3.492 20 30 GGEDRN N#CCN1CCC[C@@H](CNC(=O)c2csc(-c3ccc(F)c(F)c3)n2)C1 ZINC000272554706 1434907323 /nfs/dbraw/zinc/90/73/23/1434907323.db2.gz PWXKDELEIHFDEI-LBPRGKRZSA-N 0 0 376.432 3.054 20 30 GGEDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000272561872 1434908086 /nfs/dbraw/zinc/90/80/86/1434908086.db2.gz ORPNWOILAMTYNJ-UKPHBRMFSA-N 0 0 375.494 3.096 20 30 GGEDRN CCS[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000272561867 1434908196 /nfs/dbraw/zinc/90/81/96/1434908196.db2.gz ORPNWOILAMTYNJ-FRFSOERESA-N 0 0 375.494 3.096 20 30 GGEDRN CC(C)c1ccc(OCCNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 ZINC000272567141 1434908480 /nfs/dbraw/zinc/90/84/80/1434908480.db2.gz PFXVHWODHQOGDM-INIZCTEOSA-N 0 0 395.459 3.235 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@H](COc3ccccc3)C2)c1 ZINC000272567724 1434908496 /nfs/dbraw/zinc/90/84/96/1434908496.db2.gz JKBKOXLYBCGOIL-HNNXBMFYSA-N 0 0 383.835 3.078 20 30 GGEDRN COc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000272570424 1434908831 /nfs/dbraw/zinc/90/88/31/1434908831.db2.gz RWGOINHLRVOHKF-LJQANCHMSA-N 0 0 378.432 3.192 20 30 GGEDRN CC(C)COc1ccccc1CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000272577162 1434909912 /nfs/dbraw/zinc/90/99/12/1434909912.db2.gz QIAYBIOOTYZIFV-INIZCTEOSA-N 0 0 395.459 3.267 20 30 GGEDRN CCOc1cccc([C@H](C)NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)c1 ZINC000272580481 1434910263 /nfs/dbraw/zinc/91/02/63/1434910263.db2.gz QTLDQDCOYFPHHA-CABCVRRESA-N 0 0 381.432 3.192 20 30 GGEDRN CN1C(=O)C[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000272589955 1434911559 /nfs/dbraw/zinc/91/15/59/1434911559.db2.gz RXTSEZQTWKAVDK-NVXWUHKLSA-N 0 0 392.862 3.086 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N2CC[C@H](COc3ccccc3)C2)ccc1Cl ZINC000272596610 1434912539 /nfs/dbraw/zinc/91/25/39/1434912539.db2.gz NVEZHTCYLPVTBX-AWEZNQCLSA-N 0 0 383.835 3.078 20 30 GGEDRN COCC[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccco1 ZINC000272597940 1434912924 /nfs/dbraw/zinc/91/29/24/1434912924.db2.gz OCQHSJFBEXMOPB-AWEZNQCLSA-N 0 0 395.337 3.003 20 30 GGEDRN CCc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000272598117 1434913060 /nfs/dbraw/zinc/91/30/60/1434913060.db2.gz SZJBOGUFFCDFBY-PBHICJAKSA-N 0 0 393.443 3.118 20 30 GGEDRN COc1ccc(C)cc1[C@@H](C)NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000272599410 1434913451 /nfs/dbraw/zinc/91/34/51/1434913451.db2.gz TULBANQXLFLIRZ-HUUCEWRRSA-N 0 0 381.432 3.110 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)NCCCOCCOCc1ccccc1 ZINC000272616558 1434915620 /nfs/dbraw/zinc/91/56/20/1434915620.db2.gz WJGLBWJLGBYVOK-UHFFFAOYSA-N 0 0 381.476 3.323 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000272616629 1434915768 /nfs/dbraw/zinc/91/57/68/1434915768.db2.gz WLANFTZMJTXEQY-IRXDYDNUSA-N 0 0 395.459 3.200 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCSC2(CCCCC2)C1 ZINC000272619072 1434915932 /nfs/dbraw/zinc/91/59/32/1434915932.db2.gz WWVTXFKPWMELLI-OAHLLOKOSA-N 0 0 387.505 3.194 20 30 GGEDRN COc1ccccc1C[C@H](C)N(C)C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000272622852 1434916214 /nfs/dbraw/zinc/91/62/14/1434916214.db2.gz XOULAYDUIPMLED-HOTGVXAUSA-N 0 0 395.459 3.014 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000272622701 1434916216 /nfs/dbraw/zinc/91/62/16/1434916216.db2.gz XKOWHJMCHLLADS-NXHRZFHOSA-N 0 0 377.444 3.368 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)C[C@@H](NC(C)=O)c1ccc(F)cc1F ZINC000272623034 1434916343 /nfs/dbraw/zinc/91/63/43/1434916343.db2.gz MCXBXTCSOWSAGO-LJQANCHMSA-N 0 0 376.403 3.382 20 30 GGEDRN Cc1ccccc1[C@H]1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1 ZINC000272625151 1434916644 /nfs/dbraw/zinc/91/66/44/1434916644.db2.gz XWKNVICVNJWHKO-IRXDYDNUSA-N 0 0 377.444 3.241 20 30 GGEDRN CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc(C[S@@](=O)CCOC)c1 ZINC000272628812 1434917151 /nfs/dbraw/zinc/91/71/51/1434917151.db2.gz UFBHVCWCUDARER-DWXRJYCRSA-N 0 0 382.526 3.491 20 30 GGEDRN CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc(C[S@@](=O)CCOC)c1 ZINC000272628814 1434917271 /nfs/dbraw/zinc/91/72/71/1434917271.db2.gz UFBHVCWCUDARER-QYBDOPJKSA-N 0 0 382.526 3.491 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000272634530 1434918010 /nfs/dbraw/zinc/91/80/10/1434918010.db2.gz CDNOQHKNHFVNKR-UONOGXRCSA-N 0 0 376.457 3.354 20 30 GGEDRN COc1ccc(C(C)(C)CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 ZINC000272637920 1434918371 /nfs/dbraw/zinc/91/83/71/1434918371.db2.gz ZSWIMAOTOQZVAF-HNNXBMFYSA-N 0 0 395.459 3.019 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N(C)CCN(C)C(=O)OC(C)(C)C ZINC000272645741 1434919306 /nfs/dbraw/zinc/91/93/06/1434919306.db2.gz FLVFFIYACMWGHR-CQSZACIVSA-N 0 0 376.457 3.308 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000272654195 1434920045 /nfs/dbraw/zinc/92/00/45/1434920045.db2.gz FUUKKNFEWSHEIF-CABCVRRESA-N 0 0 388.468 3.451 20 30 GGEDRN COC[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)OC ZINC000272653722 1434920050 /nfs/dbraw/zinc/92/00/50/1434920050.db2.gz AXTWAASYSRNTTJ-HXUWFJFHSA-N 0 0 385.439 3.071 20 30 GGEDRN COc1cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc(NC(C)=O)c1OC ZINC000272658675 1434920396 /nfs/dbraw/zinc/92/03/96/1434920396.db2.gz ICVONRRJWUUZRA-LBPRGKRZSA-N 0 0 383.404 3.205 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000272669005 1434921208 /nfs/dbraw/zinc/92/12/08/1434921208.db2.gz JYKWJDHZJLBJQY-OAHLLOKOSA-N 0 0 388.468 3.452 20 30 GGEDRN COc1ccc(OC)c2c1CN(C(=O)Nc1ccccc1O[C@H](C)C#N)C[C@@H]2O ZINC000272675448 1434921537 /nfs/dbraw/zinc/92/15/37/1434921537.db2.gz MABYDPSADCIHQR-CJNGLKHVSA-N 0 0 397.431 3.076 20 30 GGEDRN CCOC(=O)N[C@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)CC(C)C ZINC000272674793 1434921589 /nfs/dbraw/zinc/92/15/89/1434921589.db2.gz LTUOMLOOZNJFJU-GJZGRUSLSA-N 0 0 376.457 3.260 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000272682758 1434922173 /nfs/dbraw/zinc/92/21/73/1434922173.db2.gz NZXZCYYWMNLRJN-CABCVRRESA-N 0 0 388.468 3.451 20 30 GGEDRN CCOC(=O)C(C)(C)n1cc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cn1 ZINC000272681546 1434922198 /nfs/dbraw/zinc/92/21/98/1434922198.db2.gz NRQDUMUOTGNDDL-ZDUSSCGKSA-N 0 0 385.424 3.116 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000272686903 1434922731 /nfs/dbraw/zinc/92/27/31/1434922731.db2.gz PHHQPAPOMLOGEY-LSDHHAIUSA-N 0 0 388.468 3.498 20 30 GGEDRN COc1ccc(CNC(=O)Nc2ccccc2O[C@H](C)C#N)c(OC)c1OC ZINC000272688976 1434922824 /nfs/dbraw/zinc/92/28/24/1434922824.db2.gz PXXGULVVFWKXLL-CYBMUJFWSA-N 0 0 385.420 3.325 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)NCC(C)(C)NC(=O)OC(C)(C)C ZINC000272690166 1434922931 /nfs/dbraw/zinc/92/29/31/1434922931.db2.gz QDUMEBWMDJZERV-CYBMUJFWSA-N 0 0 376.457 3.402 20 30 GGEDRN COc1cc(OC)c(CCNC(=O)Nc2ccccc2O[C@H](C)C#N)c(OC)c1 ZINC000272688408 1434922973 /nfs/dbraw/zinc/92/29/73/1434922973.db2.gz PUPYGHZICYOBAA-CQSZACIVSA-N 0 0 399.447 3.367 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000272690366 1434923065 /nfs/dbraw/zinc/92/30/65/1434923065.db2.gz NQUKXVBNWQRQMJ-STQMWFEESA-N 0 0 385.370 3.247 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000272693505 1434923242 /nfs/dbraw/zinc/92/32/42/1434923242.db2.gz RBNSDLQLOPBDPC-GJZGRUSLSA-N 0 0 388.468 3.451 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000272703973 1434924251 /nfs/dbraw/zinc/92/42/51/1434924251.db2.gz VJFYULZFJKPPSL-GJZGRUSLSA-N 0 0 388.468 3.498 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000272707308 1434924655 /nfs/dbraw/zinc/92/46/55/1434924655.db2.gz WMYKINAVOWDHCV-GJZGRUSLSA-N 0 0 388.468 3.498 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000272707312 1434924715 /nfs/dbraw/zinc/92/47/15/1434924715.db2.gz WMYKINAVOWDHCV-LSDHHAIUSA-N 0 0 388.468 3.498 20 30 GGEDRN CCCC[C@@H](ON=C(C)C)C(=O)NCCCS(=O)(=O)Cc1ccccc1 ZINC000272708592 1434924728 /nfs/dbraw/zinc/92/47/28/1434924728.db2.gz DEVHZIIZGPJNHZ-GOSISDBHSA-N 0 0 382.526 3.079 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000272709084 1434925036 /nfs/dbraw/zinc/92/50/36/1434925036.db2.gz RDSBVANLETXYNA-OAHLLOKOSA-N 0 0 379.416 3.122 20 30 GGEDRN COC(=O)c1ccc2c(c1)CN(C(=O)Nc1ccccc1O[C@H](C)C#N)CC2 ZINC000272711834 1434925130 /nfs/dbraw/zinc/92/51/30/1434925130.db2.gz XYCJCIIBCVHSOL-CQSZACIVSA-N 0 0 379.416 3.354 20 30 GGEDRN CC[C@H](c1ccncc1)N(C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272712330 1434925171 /nfs/dbraw/zinc/92/51/71/1434925171.db2.gz CVYBAOLENBXTKJ-VQTJNVASSA-N 0 0 391.475 3.241 20 30 GGEDRN CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 ZINC000272712581 1434925192 /nfs/dbraw/zinc/92/51/92/1434925192.db2.gz FISIZZGDKPTQJR-UONOGXRCSA-N 0 0 391.476 3.029 20 30 GGEDRN COC(=O)c1ccc2c(c1)CN(C(=O)Nc1ccccc1O[C@@H](C)C#N)CC2 ZINC000272711831 1434925228 /nfs/dbraw/zinc/92/52/28/1434925228.db2.gz XYCJCIIBCVHSOL-AWEZNQCLSA-N 0 0 379.416 3.354 20 30 GGEDRN CCS(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 ZINC000272713501 1434925369 /nfs/dbraw/zinc/92/53/69/1434925369.db2.gz 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COCC[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccco1 ZINC000272758379 1434928605 /nfs/dbraw/zinc/92/86/05/1434928605.db2.gz YLFFELDQWZVXRI-GOSISDBHSA-N 0 0 383.448 3.200 20 30 GGEDRN COC[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)OC ZINC000272760792 1434928857 /nfs/dbraw/zinc/92/88/57/1434928857.db2.gz VLUYNXUMVTYYHR-LJQANCHMSA-N 0 0 383.448 3.229 20 30 GGEDRN COc1cccc(C(=O)NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 ZINC000272791437 1434931274 /nfs/dbraw/zinc/93/12/74/1434931274.db2.gz AWFPUTKEHZCGMH-AWEZNQCLSA-N 0 0 383.473 3.315 20 30 GGEDRN N#CCOc1cccc(CC(=O)NCCCCC(=O)OCc2ccccc2)c1 ZINC000272818156 1434933442 /nfs/dbraw/zinc/93/34/42/1434933442.db2.gz UFRKQPIGKISQQZ-UHFFFAOYSA-N 0 0 380.444 3.161 20 30 GGEDRN Cc1cc(NC(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)nn1CCC#N ZINC000272825802 1434934079 /nfs/dbraw/zinc/93/40/79/1434934079.db2.gz LVGVVYZTBTUXNN-ZDUSSCGKSA-N 0 0 395.389 3.190 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000272839212 1434935117 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COCCOc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)[C@H](C)CCO ZINC000273148061 1434966453 /nfs/dbraw/zinc/96/64/53/1434966453.db2.gz HENMTXPTGYMSTE-QGZVFWFLSA-N 0 0 397.475 3.388 20 30 GGEDRN COCCCN(Cc1ccncc1)C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000273152254 1434966950 /nfs/dbraw/zinc/96/69/50/1434966950.db2.gz IAIQGJPYKAVNGQ-UHFFFAOYSA-N 0 0 398.463 3.049 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000273159368 1434967620 /nfs/dbraw/zinc/96/76/20/1434967620.db2.gz TXKGFCQYVYJHND-UHFFFAOYSA-N 0 0 379.416 3.251 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)N1CCc2ccc(OC)cc2C1 ZINC000273169479 1434968549 /nfs/dbraw/zinc/96/85/49/1434968549.db2.gz LOBSXMCUJDKQQA-UHFFFAOYSA-N 0 0 381.432 3.182 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000273173079 1434968859 /nfs/dbraw/zinc/96/88/59/1434968859.db2.gz MHJPNTKIOMFEJI-SFHVURJKSA-N 0 0 399.447 3.390 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000273179550 1434969509 /nfs/dbraw/zinc/96/95/09/1434969509.db2.gz 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N#CCCCNC(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 ZINC000273232384 1434974124 /nfs/dbraw/zinc/97/41/24/1434974124.db2.gz PLQKXBWBMDBMSX-UHFFFAOYSA-N 0 0 375.436 3.008 20 30 GGEDRN CC(=O)c1ccc(C#N)c(N(C)CCCOc2cccc(S(C)(=O)=O)c2)c1 ZINC000273244447 1434975085 /nfs/dbraw/zinc/97/50/85/1434975085.db2.gz UVEQZIPBXIIUDC-UHFFFAOYSA-N 0 0 386.473 3.070 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273243102 1434975134 /nfs/dbraw/zinc/97/51/34/1434975134.db2.gz BYPRURCRQGYGAR-AZUAARDMSA-N 0 0 398.434 3.463 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000273250466 1434975713 /nfs/dbraw/zinc/97/57/13/1434975713.db2.gz RPHRKEAJABOSIN-UHFFFAOYSA-N 0 0 394.431 3.120 20 30 GGEDRN CCNC(=O)c1ccc(C)c(NC(=O)Nc2cc(C#N)ccc2OCCOC)c1 ZINC000273256202 1434976006 /nfs/dbraw/zinc/97/60/06/1434976006.db2.gz SDEWSMJOJULZCM-UHFFFAOYSA-N 0 0 396.447 3.286 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N[C@H](C#N)C(C)(C)C)cn2)C1 ZINC000273267817 1434976695 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C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCC[C@@H]1CCCCO1 ZINC000273623993 1435000511 /nfs/dbraw/zinc/00/05/11/1435000511.db2.gz AFYHBZKHNOTBIW-CVEARBPZSA-N 0 0 389.521 3.485 20 30 GGEDRN COCCC(C)(C)CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000273631793 1435001202 /nfs/dbraw/zinc/00/12/02/1435001202.db2.gz XJLQLRNILBHOMZ-UHFFFAOYSA-N 0 0 395.459 3.468 20 30 GGEDRN Cc1nnc([C@H](C)NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)s1 ZINC000273636329 1435001411 /nfs/dbraw/zinc/00/14/11/1435001411.db2.gz TUOGICYNHWYPKX-ZDUSSCGKSA-N 0 0 394.504 3.415 20 30 GGEDRN CNC(=O)CC1S/C(=N/c2ccccc2)N(CCC[C@@H]2CCCCO2)C1=O ZINC000273641779 1435001789 /nfs/dbraw/zinc/00/17/89/1435001789.db2.gz SGPZCYKNAYANNX-QUJGFWOXSA-N 0 0 389.521 3.104 20 30 GGEDRN N#CCCSc1ccccc1NC(=O)C(=O)NCCC[C@H]1CCCCO1 ZINC000273648859 1435002390 /nfs/dbraw/zinc/00/23/90/1435002390.db2.gz DXMNZWVAGNSUOU-OAHLLOKOSA-N 0 0 375.494 3.096 20 30 GGEDRN N#CCOc1ccc(CNC(=O)NC2CCC(O)(c3ccccc3)CC2)cc1 ZINC000273690891 1435005482 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GGEDRN COCc1ccc(-c2noc(CCc3c(C)nc4c(C#N)cnn4c3C)n2)cc1 ZINC000273778310 1435013305 /nfs/dbraw/zinc/01/33/05/1435013305.db2.gz QXKTXBAWDJWBRY-UHFFFAOYSA-N 0 0 388.431 3.199 20 30 GGEDRN COCc1cccc(-c2noc(CCc3c(C)nc4c(C#N)cnn4c3C)n2)c1 ZINC000273779152 1435013565 /nfs/dbraw/zinc/01/35/65/1435013565.db2.gz QZBOEWISOJWGOE-UHFFFAOYSA-N 0 0 388.431 3.199 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 ZINC000273808384 1435016628 /nfs/dbraw/zinc/01/66/28/1435016628.db2.gz ALYCDVHFOLXVKQ-INIZCTEOSA-N 0 0 381.432 3.135 20 30 GGEDRN COCCOc1cccc(-c2noc(CCc3c(C)[nH]c(=O)c(C#N)c3C)n2)c1 ZINC000273819322 1435018109 /nfs/dbraw/zinc/01/81/09/1435018109.db2.gz JNFBGTZISSLKMO-UHFFFAOYSA-N 0 0 394.431 3.136 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1O ZINC000273830388 1435019075 /nfs/dbraw/zinc/01/90/75/1435019075.db2.gz FVUXYHYXOMLFLK-AWEZNQCLSA-N 0 0 397.431 3.084 20 30 GGEDRN CC[C@H](CC#N)NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1O ZINC000273830393 1435019214 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30 GGEDRN N#Cc1ccccc1OCc1ccc(-c2nc([C@@H]3CN(C4CC4)CCO3)no2)o1 ZINC000273877452 1435024370 /nfs/dbraw/zinc/02/43/70/1435024370.db2.gz NNYBZQZQYLBTSR-IBGZPJMESA-N 0 0 392.415 3.316 20 30 GGEDRN CC(C)OC(=O)c1cccnc1N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000273888058 1435025504 /nfs/dbraw/zinc/02/55/04/1435025504.db2.gz SLMPERDTLOJESC-UHFFFAOYSA-N 0 0 392.459 3.374 20 30 GGEDRN C=CCNC(=O)c1cccc(-c2noc([C@H]3CCCN(C(=O)C(C)(C)C)C3)n2)c1 ZINC000273889836 1435025666 /nfs/dbraw/zinc/02/56/66/1435025666.db2.gz PGRIPQREHYVENA-KRWDZBQOSA-N 0 0 396.491 3.405 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000273960037 1435032219 /nfs/dbraw/zinc/03/22/19/1435032219.db2.gz IJGCKDXOVDGEQH-DZGCQCFKSA-N 0 0 387.509 3.006 20 30 GGEDRN C=CCNC(=O)c1cccc(-c2noc(CCCc3nc(CCC)no3)n2)c1 ZINC000273959858 1435032282 /nfs/dbraw/zinc/03/22/82/1435032282.db2.gz VTISGSRLUPCBKP-UHFFFAOYSA-N 0 0 381.436 3.163 20 30 GGEDRN C=CCOc1ccc(-c2nc([C@H]3CC(=O)N(CC4CCC4)C3)no2)cc1OC ZINC000273986824 1435034720 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GGEDRN CC1(C)Oc2ccc(NC(=O)C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2O1 ZINC000276224335 1435198676 /nfs/dbraw/zinc/19/86/76/1435198676.db2.gz XFEQJTWKFNALOH-UHFFFAOYSA-N 0 0 391.427 3.195 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CC1 ZINC000276224668 1435198703 /nfs/dbraw/zinc/19/87/03/1435198703.db2.gz XIDRXSRTESZQCQ-UHFFFAOYSA-N 0 0 389.455 3.447 20 30 GGEDRN N#CCCSc1ccccc1NC(=O)C(=O)N(CCCO)Cc1ccccc1 ZINC000276231696 1435199044 /nfs/dbraw/zinc/19/90/44/1435199044.db2.gz YXLWBXXMKJEDQM-UHFFFAOYSA-N 0 0 397.500 3.042 20 30 GGEDRN COC(=O)c1c(C2CC2)csc1NC(=O)C(=O)N(CCC#N)CCC(C)C ZINC000276235933 1435199216 /nfs/dbraw/zinc/19/92/16/1435199216.db2.gz ZLNRPSPDRSPFDP-UHFFFAOYSA-N 0 0 391.493 3.139 20 30 GGEDRN CN(C(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000276237470 1435199439 /nfs/dbraw/zinc/19/94/39/1435199439.db2.gz YEYPHARDFWXFTO-PKOBYXMFSA-N 0 0 399.397 3.154 20 30 GGEDRN C[C@H](SCC(=O)NCc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000276258984 1435200604 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N#CCCCS(=O)(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000276747325 1435229638 /nfs/dbraw/zinc/22/96/38/1435229638.db2.gz SLVSYZGOQYLSKJ-KRWDZBQOSA-N 0 0 376.457 3.376 20 30 GGEDRN N#CCc1cccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000276748866 1435229756 /nfs/dbraw/zinc/22/97/56/1435229756.db2.gz ANJJFZRIJNXFFG-GOSISDBHSA-N 0 0 380.448 3.397 20 30 GGEDRN C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Cl)c1 ZINC000276753932 1435230202 /nfs/dbraw/zinc/23/02/02/1435230202.db2.gz CWDSOCMFHDDUOA-LIRRHRJNSA-N 0 0 381.863 3.232 20 30 GGEDRN COC(=O)c1cc(NC(=O)Nc2cc(C)n(CCC#N)n2)cc(Cl)c1F ZINC000276763014 1435230605 /nfs/dbraw/zinc/23/06/05/1435230605.db2.gz MRSBQDYJMSBFAO-UHFFFAOYSA-N 0 0 379.779 3.328 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)NCc1cccc(-c2nc(C(=O)OC)cs2)c1 ZINC000276777671 1435231599 /nfs/dbraw/zinc/23/15/99/1435231599.db2.gz UPGDURSCZPOCJG-FQEVSTJZSA-N 0 0 388.489 3.442 20 30 GGEDRN C#CCOc1ccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276788413 1435232546 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3.111 20 30 GGEDRN C[C@H](CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1nccs1 ZINC000277694881 1435322523 /nfs/dbraw/zinc/32/25/23/1435322523.db2.gz HABDDIXDRAKEQC-CYBMUJFWSA-N 0 0 389.912 3.303 20 30 GGEDRN CCCn1ccnc1CCCN(C)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000277697604 1435322762 /nfs/dbraw/zinc/32/27/62/1435322762.db2.gz XVBDHYDZKSVBTF-UHFFFAOYSA-N 0 0 395.507 3.365 20 30 GGEDRN CC[C@@H](C)c1nnc([C@H](C)NC(=O)CCCOc2ccc(C#N)cc2OC)[nH]1 ZINC000277733015 1435325361 /nfs/dbraw/zinc/32/53/61/1435325361.db2.gz GNJBWRBAYCHJKY-KGLIPLIRSA-N 0 0 385.468 3.235 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1C ZINC000277744819 1435326353 /nfs/dbraw/zinc/32/63/53/1435326353.db2.gz LCKVDPMWKVIJEF-QFBILLFUSA-N 0 0 397.441 3.185 20 30 GGEDRN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC(CO)(Cc2ccccc2)CC1 ZINC000277774788 1435329092 /nfs/dbraw/zinc/32/90/92/1435329092.db2.gz NJFMNQYGJNNPDD-UHFFFAOYSA-N 0 0 397.906 3.467 20 30 GGEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000277776059 1435329286 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ZINC000277833799 1435334517 /nfs/dbraw/zinc/33/45/17/1435334517.db2.gz IDBQIHVZSYCUKD-UHFFFAOYSA-N 0 0 393.274 3.370 20 30 GGEDRN C=C[C@@H](Cc1nc(CC(=O)NCCc2ccc(OC)cc2)no1)c1ccccc1 ZINC000277841729 1435335149 /nfs/dbraw/zinc/33/51/49/1435335149.db2.gz FWSUJKZBLCHAQU-SFHVURJKSA-N 0 0 391.471 3.492 20 30 GGEDRN CC(C)(C#N)CCCC[S@@](=O)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000277844504 1435335531 /nfs/dbraw/zinc/33/55/31/1435335531.db2.gz KWXVKEOLHLMQHG-AREMUKBSSA-N 0 0 375.450 3.434 20 30 GGEDRN C=CC[C@H](C(=O)N1CCC(c2nc(C(=O)OCC)n[nH]2)CC1)c1ccccc1 ZINC000277855331 1435336463 /nfs/dbraw/zinc/33/64/63/1435336463.db2.gz XSOAGMVFSUJSOJ-KRWDZBQOSA-N 0 0 382.464 3.047 20 30 GGEDRN C#CCN1CCC(c2nc(Cc3ccc(OCc4ccncc4)cc3)no2)CC1 ZINC000277886339 1435339350 /nfs/dbraw/zinc/33/93/50/1435339350.db2.gz LATYEMVCHODAIH-UHFFFAOYSA-N 0 0 388.471 3.447 20 30 GGEDRN CC(C)N(C[C@@H](O)COc1ccccc1)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000277897718 1435340606 /nfs/dbraw/zinc/34/06/06/1435340606.db2.gz 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CC1(C)CCCN(C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)[C@@H]1C#N ZINC000277939342 1435344235 /nfs/dbraw/zinc/34/42/35/1435344235.db2.gz ODKRNUPXWKKTMT-GOSISDBHSA-N 0 0 378.476 3.277 20 30 GGEDRN COc1cc(/C=C/c2nc(-c3cnc(C4CC4)nc3N)no2)ccc1OCC#N ZINC000277964051 1435346291 /nfs/dbraw/zinc/34/62/91/1435346291.db2.gz MSRCJVHFBPWLHE-XVNBXDOJSA-N 0 0 390.403 3.068 20 30 GGEDRN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000277967261 1435346646 /nfs/dbraw/zinc/34/66/46/1435346646.db2.gz MJZWQZDJGYXANZ-GOSISDBHSA-N 0 0 389.496 3.225 20 30 GGEDRN CCOC1CC(CNc2ccc(C#N)cc2C(F)(F)F)(N2CCOCC2)C1 ZINC000277970870 1435347070 /nfs/dbraw/zinc/34/70/70/1435347070.db2.gz LIFWIWRLOBGPCR-UHFFFAOYSA-N 0 0 383.414 3.259 20 30 GGEDRN CCOC(CCNc1ccc(C#N)c(NCCC(OCC)OCC)n1)OCC ZINC000277987497 1435348271 /nfs/dbraw/zinc/34/82/71/1435348271.db2.gz MQTYUPZPDMUZQG-UHFFFAOYSA-N 0 0 394.516 3.355 20 30 GGEDRN C=C(C)[C@H](NC(=O)N1CCCC[C@H](S(C)(=O)=O)C1)c1ccc(F)c(F)c1 ZINC000277999702 1435348927 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1435365501 /nfs/dbraw/zinc/36/55/01/1435365501.db2.gz ATKJWZKJRWLOCZ-NVXWUHKLSA-N 0 0 378.542 3.145 20 30 GGEDRN Cc1cc(N2CCC(C)(C)S(=O)(=O)CC2)n2c3ccccc3nc2c1C#N ZINC000278168079 1435365834 /nfs/dbraw/zinc/36/58/34/1435365834.db2.gz AXFAWUHHTWXQIH-UHFFFAOYSA-N 0 0 382.489 3.071 20 30 GGEDRN CN1C(=O)N(C2CCC(Oc3ccc(C#N)cn3)CC2)C(=O)C12CCCCC2 ZINC000278174534 1435366403 /nfs/dbraw/zinc/36/64/03/1435366403.db2.gz SVAZAASCUACGIP-UHFFFAOYSA-N 0 0 382.464 3.240 20 30 GGEDRN CC(C)Oc1ccc(N2C(=O)N[C@H](c3ccc4c(c3)CCO4)C2=O)cc1C#N ZINC000278195834 1435368557 /nfs/dbraw/zinc/36/85/57/1435368557.db2.gz RSUXRCDJEVIPKI-LJQANCHMSA-N 0 0 377.400 3.078 20 30 GGEDRN CC(C)Oc1ccc(N2C(=O)N[C@@H](c3ccc4c(c3)CCO4)C2=O)cc1C#N ZINC000278195829 1435368582 /nfs/dbraw/zinc/36/85/82/1435368582.db2.gz RSUXRCDJEVIPKI-IBGZPJMESA-N 0 0 377.400 3.078 20 30 GGEDRN C[C@H]1CCN2C(=O)N(c3cccc(C(=O)Nc4cccc(C#N)c4)c3)C(=O)[C@@H]2C1 ZINC000278210755 1435369854 /nfs/dbraw/zinc/36/98/54/1435369854.db2.gz QWUZHFKDTRKYKY-LIRRHRJNSA-N 0 0 388.427 3.378 20 30 GGEDRN COc1ccc2c(c1)[C@@H](C(=O)NC1CCC(Oc3ccc(C#N)cn3)CC1)CC2 ZINC000278211174 1435369941 /nfs/dbraw/zinc/36/99/41/1435369941.db2.gz WCQBYDNVKBSPPC-QLOJAFMTSA-N 0 0 391.471 3.498 20 30 GGEDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000278215414 1435370296 /nfs/dbraw/zinc/37/02/96/1435370296.db2.gz TVJMERHAQUENSF-UHFFFAOYSA-N 0 0 392.415 3.266 20 30 GGEDRN C[C@H](CCC(=O)Nc1ncccc1OCCCC#N)NC(=O)OC(C)(C)C ZINC000278215763 1435370317 /nfs/dbraw/zinc/37/03/17/1435370317.db2.gz VPJYASKDJCFWPB-CQSZACIVSA-N 0 0 376.457 3.396 20 30 GGEDRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CC(C)(C)C#N ZINC000278217588 1435370520 /nfs/dbraw/zinc/37/05/20/1435370520.db2.gz IROGSRMWDQVCGW-UHFFFAOYSA-N 0 0 375.469 3.199 20 30 GGEDRN CC(C)[C@H](NC(=O)CO/N=C1/CCCOCC1)c1ccc2c(c1)OCCCO2 ZINC000278267877 1435374992 /nfs/dbraw/zinc/37/49/92/1435374992.db2.gz RIYBAUDJJNDIJJ-BAVLMPOVSA-N 0 0 390.480 3.234 20 30 GGEDRN C=CC[C@H]1N(C(=O)C(=O)Nc2ccccc2C[S@](C)=O)CCCC1(C)C ZINC000278287765 1435376429 /nfs/dbraw/zinc/37/64/29/1435376429.db2.gz KRACZFYRBHRRFM-QUGAMOGWSA-N 0 0 376.522 3.097 20 30 GGEDRN CCC[C@@]1(CO)CCCN1C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000278290389 1435376799 /nfs/dbraw/zinc/37/67/99/1435376799.db2.gz KVSMUGKAZUMOTF-YWZLYKJASA-N 0 0 389.521 3.173 20 30 GGEDRN COc1ccc([C@H]2[C@@H](C(=O)Oc3ccc(C#N)c(OC)c3)CCC(=O)N2C)cc1 ZINC000278291100 1435376900 /nfs/dbraw/zinc/37/69/00/1435376900.db2.gz GBUUFTURSGMLIU-RXVVDRJESA-N 0 0 394.427 3.091 20 30 GGEDRN C=CC[C@@H]1N(C(=O)C(=O)Nc2ccc(C(=O)NC)c(Cl)c2)CCCC1(C)C ZINC000278311276 1435378441 /nfs/dbraw/zinc/37/84/41/1435378441.db2.gz MRRPTSCLCNGXOC-INIZCTEOSA-N 0 0 391.899 3.231 20 30 GGEDRN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(Oc2ncccc2F)CC1 ZINC000278318327 1435379258 /nfs/dbraw/zinc/37/92/58/1435379258.db2.gz NITQBGWAISAVSX-KRWDZBQOSA-N 0 0 396.466 3.399 20 30 GGEDRN CCC[C@]1(CO)CCCN1C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000278321137 1435379780 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383.429 3.255 20 30 GGEDRN Cc1ccc([C@H]2C[C@@H](C)N(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)cc1 ZINC000278762296 1435421234 /nfs/dbraw/zinc/42/12/34/1435421234.db2.gz OBFLZPUSYVZBJD-UTKZUKDTSA-N 0 0 396.512 3.186 20 30 GGEDRN Cc1ccc([C@H]2C[C@H](C)N(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)cc1 ZINC000278762305 1435421292 /nfs/dbraw/zinc/42/12/92/1435421292.db2.gz OBFLZPUSYVZBJD-UWJYYQICSA-N 0 0 396.512 3.186 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCO[C@H]2CCCC[C@H]2C)cc1 ZINC000278765450 1435421415 /nfs/dbraw/zinc/42/14/15/1435421415.db2.gz YGHLFSMOXGBYMS-RKVPGOIHSA-N 0 0 393.509 3.089 20 30 GGEDRN C=CCc1cc(CN[C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)cc(OC)c1O ZINC000278766980 1435421671 /nfs/dbraw/zinc/42/16/71/1435421671.db2.gz OJPIFYKTIITDOT-AWEZNQCLSA-N 0 0 379.464 3.469 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC)n1 ZINC000278768534 1435421785 /nfs/dbraw/zinc/42/17/85/1435421785.db2.gz LBAXWBRXCOBNPB-UHFFFAOYSA-N 0 0 393.491 3.260 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000278773658 1435422394 /nfs/dbraw/zinc/42/23/94/1435422394.db2.gz YXAWPDXSZJKESP-AEFFLSMTSA-N 0 0 397.500 3.469 20 30 GGEDRN CC(C)(C)OCc1cc(CNCc2cn(CCC#N)nc2-c2ccncc2)no1 ZINC000278784812 1435423534 /nfs/dbraw/zinc/42/35/34/1435423534.db2.gz ZOBLHOHSUVRIHR-UHFFFAOYSA-N 0 0 394.479 3.452 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278795195 1435424437 /nfs/dbraw/zinc/42/44/37/1435424437.db2.gz XEFQMJFJRHRRFZ-UHFFFAOYSA-N 0 0 392.419 3.465 20 30 GGEDRN C=C(C)COc1cc(CNc2ccc(C(=O)NCC(=O)OC)cc2)ccc1OC ZINC000278806008 1435425531 /nfs/dbraw/zinc/42/55/31/1435425531.db2.gz YCVKPEAJGGBRKZ-UHFFFAOYSA-N 0 0 398.459 3.165 20 30 GGEDRN CCn1nccc1C1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000278848340 1435430871 /nfs/dbraw/zinc/43/08/71/1435430871.db2.gz JYRWOIXKKXUMBS-UHFFFAOYSA-N 0 0 383.521 3.337 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2cnn(C)c2)nn1 ZINC000278865170 1435432870 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C#CCn1ccc(CN(CC)C(=O)c2cnc(-c3ccc(OC)cc3)s2)n1 ZINC000278933179 1435441728 /nfs/dbraw/zinc/44/17/28/1435441728.db2.gz KCYGODYJGSGEIN-UHFFFAOYSA-N 0 0 380.473 3.311 20 30 GGEDRN C=CCN(C(=O)CCC[C@@H](C)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000278940501 1435442372 /nfs/dbraw/zinc/44/23/72/1435442372.db2.gz FKZDDQWOPWSMLC-AEFFLSMTSA-N 0 0 379.522 3.171 20 30 GGEDRN N#Cc1ccsc1N1CC[C@H](N2CCC(c3ncc4n3CCCC4)CC2)C1=O ZINC000278937905 1435442465 /nfs/dbraw/zinc/44/24/65/1435442465.db2.gz UDZREGPZYDXIMW-SFHVURJKSA-N 0 0 395.532 3.137 20 30 GGEDRN C=CCN(C(=O)CCC[C@H](C)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000278940507 1435442820 /nfs/dbraw/zinc/44/28/20/1435442820.db2.gz FKZDDQWOPWSMLC-FUHWJXTLSA-N 0 0 379.522 3.171 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)CCSc2ccc(OC)c(OC)c2)n1 ZINC000278947849 1435443780 /nfs/dbraw/zinc/44/37/80/1435443780.db2.gz LWJRQRRYSJTXPZ-UHFFFAOYSA-N 0 0 387.505 3.064 20 30 GGEDRN COc1cccc(OC)c1OC1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000278956473 1435445281 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20 30 GGEDRN COc1ccccc1[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000279007875 1435451428 /nfs/dbraw/zinc/45/14/28/1435451428.db2.gz DMWOVWAYQVPABJ-INIZCTEOSA-N 0 0 394.475 3.078 20 30 GGEDRN N#Cc1cccc(-c2cc(C(=O)N3CCC(c4nncn4C4CC4)CC3)on2)c1 ZINC000279015079 1435452210 /nfs/dbraw/zinc/45/22/10/1435452210.db2.gz LJWUBPZFBVDYQR-UHFFFAOYSA-N 0 0 388.431 3.159 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)Nc2cc([C@H]3CCCO3)nn2C)cc1C#N ZINC000279021786 1435453013 /nfs/dbraw/zinc/45/30/13/1435453013.db2.gz PMDFGTZIIKWUSG-MRXNPFEDSA-N 0 0 398.423 3.356 20 30 GGEDRN Cn1nccc1N1CCC[C@@H](NC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000279028073 1435453642 /nfs/dbraw/zinc/45/36/42/1435453642.db2.gz JSKJFTBSKKHIOH-GOSISDBHSA-N 0 0 385.471 3.358 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)n1 ZINC000279039873 1435454685 /nfs/dbraw/zinc/45/46/85/1435454685.db2.gz JFNYKRJOVJREBK-UHFFFAOYSA-N 0 0 393.491 3.115 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)CSc2ncnc3sc(C)c(C)c32)n1 ZINC000279046586 1435455275 /nfs/dbraw/zinc/45/52/75/1435455275.db2.gz YMIUFGAJBYMVIR-UHFFFAOYSA-N 0 0 399.545 3.279 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)n1 ZINC000279049754 1435455577 /nfs/dbraw/zinc/45/55/77/1435455577.db2.gz JZKJOLIFGKPJEG-HXUWFJFHSA-N 0 0 382.464 3.128 20 30 GGEDRN CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279110927 1435461534 /nfs/dbraw/zinc/46/15/34/1435461534.db2.gz UVWNXGJJXRSWBX-MRXNPFEDSA-N 0 0 396.447 3.343 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)n1 ZINC000279119349 1435462147 /nfs/dbraw/zinc/46/21/47/1435462147.db2.gz PZUYPACHEUWLFI-ROUUACIJSA-N 0 0 395.507 3.184 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccccc2C(=O)N(CC)CC)n1 ZINC000279135015 1435463954 /nfs/dbraw/zinc/46/39/54/1435463954.db2.gz RIESXZUUAWGVDN-UHFFFAOYSA-N 0 0 381.480 3.052 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)c1C#N ZINC000279152399 1435465645 /nfs/dbraw/zinc/46/56/45/1435465645.db2.gz DTBKFRPNXOSULB-VIFPVBQESA-N 0 0 382.367 3.158 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1ccc(Cl)c(C(=O)N(CC)C(C)C)c1)C1CC1 ZINC000279184301 1435468568 /nfs/dbraw/zinc/46/85/68/1435468568.db2.gz FUYGGOZDAKXBBS-UHFFFAOYSA-N 0 0 391.899 3.326 20 30 GGEDRN C[C@H]1OCC[C@]12CN(C(=O)c1occc1COc1cccc(C#N)c1)C[C@@H](C)O2 ZINC000279187293 1435469021 /nfs/dbraw/zinc/46/90/21/1435469021.db2.gz CBOSYQYLEXMQQV-MCFFVMPBSA-N 0 0 396.443 3.139 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000279191753 1435469559 /nfs/dbraw/zinc/46/95/59/1435469559.db2.gz WLDRLOPJYKGRBN-HDICACEKSA-N 0 0 395.507 3.184 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000279191765 1435469593 /nfs/dbraw/zinc/46/95/93/1435469593.db2.gz WLDRLOPJYKGRBN-ROUUACIJSA-N 0 0 395.507 3.184 20 30 GGEDRN C=CCSCCNC(=O)C12CCC(C(=O)NCCSCC=C)(CC1)CC2 ZINC000279194902 1435469912 /nfs/dbraw/zinc/46/99/12/1435469912.db2.gz JFSASVJFFOELHJ-UHFFFAOYSA-N 0 0 396.622 3.398 20 30 GGEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@]1(O)CCO[C@@H]1C ZINC000279199526 1435470617 /nfs/dbraw/zinc/47/06/17/1435470617.db2.gz XFKKFFQVGCVBHN-OPAMFIHVSA-N 0 0 395.459 3.107 20 30 GGEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@]1(O)CCO[C@H]1C ZINC000279199524 1435470632 /nfs/dbraw/zinc/47/06/32/1435470632.db2.gz XFKKFFQVGCVBHN-KSFYIVLOSA-N 0 0 395.459 3.107 20 30 GGEDRN CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000279201567 1435470877 /nfs/dbraw/zinc/47/08/77/1435470877.db2.gz KANCETWKWKTVLP-QAPCUYQASA-N 0 0 394.475 3.370 20 30 GGEDRN COc1cc([C@@H](C)NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc(OC)c1OC ZINC000279205218 1435471147 /nfs/dbraw/zinc/47/11/47/1435471147.db2.gz BDASUILNGGKROE-RDTXWAMCSA-N 0 0 393.443 3.144 20 30 GGEDRN CC(C)n1cnnc1C1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000279208354 1435471684 /nfs/dbraw/zinc/47/16/84/1435471684.db2.gz KQXJKIHAZJSJKK-UHFFFAOYSA-N 0 0 390.447 3.405 20 30 GGEDRN C[C@@H](c1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1)N1CCOCC1 ZINC000279212883 1435472213 /nfs/dbraw/zinc/47/22/13/1435472213.db2.gz CAOHTAXVELXOTL-UWJYYQICSA-N 0 0 388.471 3.272 20 30 GGEDRN C[C@H](c1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1)N1CCOCC1 ZINC000279212878 1435472302 /nfs/dbraw/zinc/47/23/02/1435472302.db2.gz CAOHTAXVELXOTL-UTKZUKDTSA-N 0 0 388.471 3.272 20 30 GGEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000279226225 1435473989 /nfs/dbraw/zinc/47/39/89/1435473989.db2.gz DJFWJBXCMZKSMF-FQEVSTJZSA-N 0 0 384.439 3.182 20 30 GGEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)N(C(N)=O)CCC2 ZINC000279236101 1435475242 /nfs/dbraw/zinc/47/52/42/1435475242.db2.gz SAFOYTSCPIKCJE-UHFFFAOYSA-N 0 0 378.432 3.186 20 30 GGEDRN CC[C@H](C)NC(=O)c1cccc(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000279241782 1435475984 /nfs/dbraw/zinc/47/59/84/1435475984.db2.gz GATJBTNCQIUFAY-HRAATJIYSA-N 0 0 388.471 3.085 20 30 GGEDRN N#Cc1cccc(OCCCCC(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)c1 ZINC000279247375 1435476916 /nfs/dbraw/zinc/47/69/16/1435476916.db2.gz UUHHLAGBHZYPDS-UHFFFAOYSA-N 0 0 378.432 3.187 20 30 GGEDRN C=C[C@@](C)(O)CC(=O)N(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000279253371 1435477656 /nfs/dbraw/zinc/47/76/56/1435477656.db2.gz SCWVYDYVVCGVEQ-JOCHJYFZSA-N 0 0 382.460 3.028 20 30 GGEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)NCCCCOCCc2ccccc2)cc1 ZINC000279252355 1435477732 /nfs/dbraw/zinc/47/77/32/1435477732.db2.gz HGPGOXFXHJNYCR-QFIPXVFZSA-N 0 0 375.472 3.396 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)n1 ZINC000279259744 1435478522 /nfs/dbraw/zinc/47/85/22/1435478522.db2.gz QIVAIWFRJXGMDJ-MRXNPFEDSA-N 0 0 384.480 3.135 20 30 GGEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2cccc(OCC(F)(F)F)c2)cc1 ZINC000279263683 1435479103 /nfs/dbraw/zinc/47/91/03/1435479103.db2.gz IKUPKSFMXWWVPH-KRWDZBQOSA-N 0 0 387.361 3.498 20 30 GGEDRN Cc1cccc(OCCCNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)c1C ZINC000279268039 1435479685 /nfs/dbraw/zinc/47/96/85/1435479685.db2.gz YMRYCUNGSYRHIV-INIZCTEOSA-N 0 0 395.459 3.118 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]([C@H]1CCCOC1)C(F)(F)F 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/nfs/dbraw/zinc/48/32/62/1435483262.db2.gz BOCYZQSITFCNMV-AOMKIAJQSA-N 0 0 378.428 3.371 20 30 GGEDRN C[C@H]1OCC[C@]12CN(C(=O)c1cccc(Oc3ccc(C#N)cc3)c1)CCO2 ZINC000279297986 1435483292 /nfs/dbraw/zinc/48/32/92/1435483292.db2.gz BOCYZQSITFCNMV-ZHRRBRCNSA-N 0 0 378.428 3.371 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000279299663 1435483557 /nfs/dbraw/zinc/48/35/57/1435483557.db2.gz BQPUBQMMBZFEMA-UHFFFAOYSA-N 0 0 376.478 3.057 20 30 GGEDRN C=CCn1c2ncn(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(=O)c2sc1=S ZINC000279302086 1435483844 /nfs/dbraw/zinc/48/38/44/1435483844.db2.gz MHWOLHPAFHYLTH-RWMBFGLXSA-N 0 0 392.550 3.116 20 30 GGEDRN COC(=O)c1cccc(NC2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)c1 ZINC000279306892 1435484286 /nfs/dbraw/zinc/48/42/86/1435484286.db2.gz DGVKLJVJDGQCLJ-UHFFFAOYSA-N 0 0 381.407 3.201 20 30 GGEDRN C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000279306272 1435484366 /nfs/dbraw/zinc/48/43/66/1435484366.db2.gz MRLVAOZUWZMZPQ-KXBFYZLASA-N 0 0 388.427 3.075 20 30 GGEDRN C[C@@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000279306263 1435484421 /nfs/dbraw/zinc/48/44/21/1435484421.db2.gz MRLVAOZUWZMZPQ-BEFAXECRSA-N 0 0 388.427 3.075 20 30 GGEDRN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000279310562 1435484968 /nfs/dbraw/zinc/48/49/68/1435484968.db2.gz WLSSGAOSWMRHBJ-CRAIPNDOSA-N 0 0 394.475 3.370 20 30 GGEDRN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000279310568 1435484970 /nfs/dbraw/zinc/48/49/70/1435484970.db2.gz WLSSGAOSWMRHBJ-QAPCUYQASA-N 0 0 394.475 3.370 20 30 GGEDRN COC(=O)c1ccc2c(c1)CCN2Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279327487 1435487053 /nfs/dbraw/zinc/48/70/53/1435487053.db2.gz CKRBOOSLQMYIBS-UHFFFAOYSA-N 0 0 387.443 3.208 20 30 GGEDRN CSC1(CNC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000279331053 1435487292 /nfs/dbraw/zinc/48/72/92/1435487292.db2.gz DEKMMJKPWSFDHX-UHFFFAOYSA-N 0 0 381.457 3.301 20 30 GGEDRN 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20 30 GGEDRN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3ccccc3CC#N)cc2)C[C@@H](C)O1 ZINC000280009872 1435575839 /nfs/dbraw/zinc/57/58/39/1435575839.db2.gz SYPQYXUOWWJLSA-HZPDHXFCSA-N 0 0 385.489 3.167 20 30 GGEDRN CC(=O)N(Cc1ccc(NS(=O)(=O)c2ccccc2CC#N)cc1)C1CC1 ZINC000280019099 1435577676 /nfs/dbraw/zinc/57/76/76/1435577676.db2.gz UQETXCHEZYUBBJ-UHFFFAOYSA-N 0 0 383.473 3.064 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H](c4ccc(F)cc4)C3)CC2)o1 ZINC000280023139 1435578503 /nfs/dbraw/zinc/57/85/03/1435578503.db2.gz UGQUSIPNFZVPOP-KRWDZBQOSA-N 0 0 382.439 3.226 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000280024944 1435578822 /nfs/dbraw/zinc/57/88/22/1435578822.db2.gz MXFBDVFCGVZPCL-RBUKOAKNSA-N 0 0 386.883 3.231 20 30 GGEDRN N#Cc1ccc(C[C@H](C#N)C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000280028974 1435579387 /nfs/dbraw/zinc/57/93/87/1435579387.db2.gz MZWSIRRDLDMQJX-GIVPXCGWSA-N 0 0 377.419 3.416 20 30 GGEDRN N#Cc1ccc(C[C@H](C#N)C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000280028980 1435579537 /nfs/dbraw/zinc/57/95/37/1435579537.db2.gz MZWSIRRDLDMQJX-HMXCVIKNSA-N 0 0 377.419 3.416 20 30 GGEDRN CC[C@H]1CN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)c2ccccc2O1 ZINC000280038935 1435581191 /nfs/dbraw/zinc/58/11/91/1435581191.db2.gz GQHCXOUOWYNTAB-INIZCTEOSA-N 0 0 380.448 3.275 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3CCCc4cc(F)c(F)cc43)CC2)o1 ZINC000280046590 1435582412 /nfs/dbraw/zinc/58/24/12/1435582412.db2.gz XEDXHHRRYNFOPQ-UHFFFAOYSA-N 0 0 386.402 3.329 20 30 GGEDRN C[C@@H](NC(=O)[C@H](C)Sc1nnc(CC#N)n1C)c1cccc2ccccc21 ZINC000280052410 1435583885 /nfs/dbraw/zinc/58/38/85/1435583885.db2.gz YGXVANXOLSHODW-KGLIPLIRSA-N 0 0 379.489 3.392 20 30 GGEDRN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)cc1 ZINC000280067670 1435586091 /nfs/dbraw/zinc/58/60/91/1435586091.db2.gz QDQXQFDKMGZYNU-LJQANCHMSA-N 0 0 396.454 3.008 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)n1 ZINC000280072042 1435586956 /nfs/dbraw/zinc/58/69/56/1435586956.db2.gz 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CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000280091026 1435590609 /nfs/dbraw/zinc/59/06/09/1435590609.db2.gz ATQWTQYXKDKTKW-UHFFFAOYSA-N 0 0 385.489 3.427 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc([C@H]2CCCOC2)nn1C ZINC000280091308 1435590810 /nfs/dbraw/zinc/59/08/10/1435590810.db2.gz JDZLGAJNXGNCOQ-SFHVURJKSA-N 0 0 379.464 3.406 20 30 GGEDRN CO/N=C/c1ccc(C(=O)N2CCC[C@@H]2c2nc(C(=O)OC)c(C)s2)cc1 ZINC000280089983 1435590820 /nfs/dbraw/zinc/59/08/20/1435590820.db2.gz QSSBXYDRLXXJAW-PZUDMAOCSA-N 0 0 387.461 3.196 20 30 GGEDRN Cn1nc([C@H]2CCCOC2)cc1NCc1cn(CCC#N)nc1-c1ccncc1 ZINC000280095066 1435591023 /nfs/dbraw/zinc/59/10/23/1435591023.db2.gz NYLDGSVRJXPHFK-KRWDZBQOSA-N 0 0 391.479 3.098 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3CCCc4cc(F)cc(C)c43)CC2)o1 ZINC000280096506 1435591729 /nfs/dbraw/zinc/59/17/29/1435591729.db2.gz KLXHASUREITOGO-UHFFFAOYSA-N 0 0 382.439 3.498 20 30 GGEDRN CCOC(=O)c1ccc2c(c1)CCCN2C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280098261 1435592204 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Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)CC2)o1 ZINC000281670204 1435817879 /nfs/dbraw/zinc/81/78/79/1435817879.db2.gz SYMTVMAINRKLIH-ICSRJNTNSA-N 0 0 394.475 3.108 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000281679530 1435818312 /nfs/dbraw/zinc/81/83/12/1435818312.db2.gz ZWSPNWYGZHFKQK-PMACEKPBSA-N 0 0 385.508 3.093 20 30 GGEDRN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)c2ccccc2OCC#N)C1 ZINC000281687420 1435818362 /nfs/dbraw/zinc/81/83/62/1435818362.db2.gz DEDRDNJMZDVPGD-INIZCTEOSA-N 0 0 387.480 3.356 20 30 GGEDRN COc1cc(CNc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)ccc1C#N ZINC000281692712 1435818497 /nfs/dbraw/zinc/81/84/97/1435818497.db2.gz NDYYDWPUVMPYPF-QGZVFWFLSA-N 0 0 379.460 3.023 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(CN(C)C)c1)c1ccc(C#N)cc1 ZINC000281693274 1435818590 /nfs/dbraw/zinc/81/85/90/1435818590.db2.gz OMMBCJHMOQUGNL-CYBMUJFWSA-N 0 0 384.867 3.089 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(CN(C)C)c1)c1ccc(C#N)cc1 ZINC000281693279 1435818594 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3.069 20 30 GGEDRN C=CCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000282327650 1435843214 /nfs/dbraw/zinc/84/32/14/1435843214.db2.gz QRBFNUAGBIOJKW-KSFYIVLOSA-N 0 0 391.475 3.064 20 30 GGEDRN C=CCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000282327656 1435843234 /nfs/dbraw/zinc/84/32/34/1435843234.db2.gz QRBFNUAGBIOJKW-OPAMFIHVSA-N 0 0 391.475 3.064 20 30 GGEDRN C=CCn1c(COc2ccccc2OC)nnc1N1CCCC2(CCOCC2)C1 ZINC000282329905 1435843289 /nfs/dbraw/zinc/84/32/89/1435843289.db2.gz QUBBQMPNGOUNNT-UHFFFAOYSA-N 0 0 398.507 3.449 20 30 GGEDRN C=CCn1c(-c2cnn(C)c2)nnc1N1CCC(OCc2ccccc2)CC1 ZINC000282332249 1435843501 /nfs/dbraw/zinc/84/35/01/1435843501.db2.gz QZLOMPXJIZLEOM-UHFFFAOYSA-N 0 0 378.480 3.050 20 30 GGEDRN C=CCn1c(CCCc2ccccc2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC000282342032 1435843798 /nfs/dbraw/zinc/84/37/98/1435843798.db2.gz RRGCFPFWKMNTDU-UHFFFAOYSA-N 0 0 381.524 3.087 20 30 GGEDRN C=CCn1c(-c2cccn2C)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000282344233 1435843843 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GGEDRN C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H](COC)C1 ZINC000282366574 1435844705 /nfs/dbraw/zinc/84/47/05/1435844705.db2.gz UBXOQDZOZZPYJU-IRXDYDNUSA-N 0 0 386.496 3.476 20 30 GGEDRN C=CCn1c(-c2ccccn2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000282371092 1435844879 /nfs/dbraw/zinc/84/48/79/1435844879.db2.gz UKOIRLYMFNZWTE-UHFFFAOYSA-N 0 0 394.523 3.191 20 30 GGEDRN C=CCn1c(-c2cccnc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 ZINC000282371243 1435844900 /nfs/dbraw/zinc/84/49/00/1435844900.db2.gz ULMWZNIFADRCFQ-INIZCTEOSA-N 0 0 380.427 3.108 20 30 GGEDRN C=CCn1c(Cc2ccccn2)nnc1N1CCC(c2ccnn2CC)CC1 ZINC000282378032 1435845055 /nfs/dbraw/zinc/84/50/55/1435845055.db2.gz UXBHFPJFROIPTK-UHFFFAOYSA-N 0 0 377.496 3.050 20 30 GGEDRN COCCOc1cncc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)c1 ZINC000282382959 1435845329 /nfs/dbraw/zinc/84/53/29/1435845329.db2.gz WUSZTNYTWZFYTB-UHFFFAOYSA-N 0 0 383.492 3.431 20 30 GGEDRN C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](COC)C1 ZINC000282389080 1435845515 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30 GGEDRN C=CCn1c(COc2ccccc2OC)nnc1N1CCC[C@H](COCC)C1 ZINC000282416063 1435846477 /nfs/dbraw/zinc/84/64/77/1435846477.db2.gz XSWJVYIKEBKQLY-KRWDZBQOSA-N 0 0 386.496 3.305 20 30 GGEDRN C=CCn1c(-c2ccc(C)s2)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC000282416077 1435846484 /nfs/dbraw/zinc/84/64/84/1435846484.db2.gz XTGNHDFCQWZALA-UHFFFAOYSA-N 0 0 383.477 3.056 20 30 GGEDRN C=CCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC000282425822 1435846633 /nfs/dbraw/zinc/84/66/33/1435846633.db2.gz YGOZLNNTFMBALS-UHFFFAOYSA-N 0 0 397.504 3.493 20 30 GGEDRN C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC(C)(C)C1 ZINC000282425874 1435846642 /nfs/dbraw/zinc/84/66/42/1435846642.db2.gz YHMCSKNDGJQQHZ-UHFFFAOYSA-N 0 0 381.528 3.265 20 30 GGEDRN C=CCn1c(Cc2cccc3ccccc32)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC000282428079 1435846809 /nfs/dbraw/zinc/84/68/09/1435846809.db2.gz YMAMBNIWSRZXHB-KRWDZBQOSA-N 0 0 389.503 3.300 20 30 GGEDRN C=CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000282432213 1435846976 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20 30 GGEDRN C=CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1scnc1C ZINC000282462701 1435848093 /nfs/dbraw/zinc/84/80/93/1435848093.db2.gz BDAAVNPFSZVFLN-UHFFFAOYSA-N 0 0 380.477 3.316 20 30 GGEDRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1ccccc1 ZINC000282464397 1435848125 /nfs/dbraw/zinc/84/81/25/1435848125.db2.gz UESCWTBNOSTROJ-SJORKVTESA-N 0 0 389.521 3.010 20 30 GGEDRN C=CCn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000282471003 1435848484 /nfs/dbraw/zinc/84/84/84/1435848484.db2.gz BRVQCCNZIYZVOL-GCJKJVERSA-N 0 0 382.508 3.024 20 30 GGEDRN C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CNC(C)=O)CC1 ZINC000282488945 1435849068 /nfs/dbraw/zinc/84/90/68/1435849068.db2.gz CXFHXUZFNIAUEM-UHFFFAOYSA-N 0 0 397.523 3.012 20 30 GGEDRN C=CCn1c([C@H](C)OCCOC)nnc1N(C)Cc1cnn(-c2ccccc2)c1 ZINC000282500823 1435849425 /nfs/dbraw/zinc/84/94/25/1435849425.db2.gz DTLJQLXVZHSWRU-KRWDZBQOSA-N 0 0 396.495 3.010 20 30 GGEDRN C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC000282506379 1435849562 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C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCC(OC(C)(C)C)CC1 ZINC000282550832 1435851351 /nfs/dbraw/zinc/85/13/51/1435851351.db2.gz IWYMVGSMCSPONO-UHFFFAOYSA-N 0 0 377.533 3.166 20 30 GGEDRN C=CCN(Cc1noc(CNC(=O)OC(C)(C)C)n1)Cc1ccc(OC)cc1 ZINC000282555036 1435851482 /nfs/dbraw/zinc/85/14/82/1435851482.db2.gz DERDQBGSHPZNIJ-UHFFFAOYSA-N 0 0 388.468 3.291 20 30 GGEDRN COc1ccc(C2=NO[C@H](CNC(=O)N[C@@H](C)c3ccc(C#N)cc3)C2)cc1F ZINC000282562707 1435851643 /nfs/dbraw/zinc/85/16/43/1435851643.db2.gz VIIXZFOLELADQN-GUYCJALGSA-N 0 0 396.422 3.259 20 30 GGEDRN COc1ccc(C2=NO[C@@H](CNC(=O)N[C@H](C)c3ccc(C#N)cc3)C2)cc1F ZINC000282562701 1435851689 /nfs/dbraw/zinc/85/16/89/1435851689.db2.gz VIIXZFOLELADQN-CXAGYDPISA-N 0 0 396.422 3.259 20 30 GGEDRN C=CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000282562747 1435851709 /nfs/dbraw/zinc/85/17/09/1435851709.db2.gz JVLXBCWIQQDDNB-CRAIPNDOSA-N 0 0 381.505 3.478 20 30 GGEDRN CSc1nn(-c2ccccc2)c(NC(=O)[C@H](C)NC(=O)C2CCCC2)c1C#N ZINC000282564476 1435851767 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WQWKRDYENIRGJQ-OAHLLOKOSA-N 0 0 392.481 3.207 20 30 GGEDRN COc1ccc([C@H](NC(=O)OC(C)(C)C)C(N)=NOCc2nccs2)cc1 ZINC000284567570 1436031028 /nfs/dbraw/zinc/03/10/28/1436031028.db2.gz WQWKRDYENIRGJQ-HNNXBMFYSA-N 0 0 392.481 3.207 20 30 GGEDRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N(C)Cc2ccc(C#N)cc2)cc1 ZINC000284588359 1436032405 /nfs/dbraw/zinc/03/24/05/1436032405.db2.gz GQXDNWKAEGOXEC-HNNXBMFYSA-N 0 0 385.489 3.254 20 30 GGEDRN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(C#N)cc2)cc1 ZINC000284588376 1436032436 /nfs/dbraw/zinc/03/24/36/1436032436.db2.gz GQXDNWKAEGOXEC-OAHLLOKOSA-N 0 0 385.489 3.254 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC3(CCOCC3)CC2)cc1C(F)(F)F ZINC000284603403 1436033477 /nfs/dbraw/zinc/03/34/77/1436033477.db2.gz IUDRMNUFXZXORX-UHFFFAOYSA-N 0 0 388.411 3.158 20 30 GGEDRN C[C@@H](NC(=O)C(=O)NCCCO[C@H](C)c1ccccc1)c1ccc(C#N)cc1 ZINC000284606909 1436033881 /nfs/dbraw/zinc/03/38/81/1436033881.db2.gz HBOPSWNFZBRVAD-IAGOWNOFSA-N 0 0 379.460 3.020 20 30 GGEDRN C[C@H](NC(=O)C(=O)NCCCO[C@@H](C)c1ccccc1)c1ccc(C#N)cc1 ZINC000284606913 1436033936 /nfs/dbraw/zinc/03/39/36/1436033936.db2.gz HBOPSWNFZBRVAD-IRXDYDNUSA-N 0 0 379.460 3.020 20 30 GGEDRN COc1ccc([C@H](NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)C(C)C)cc1 ZINC000284637825 1436036454 /nfs/dbraw/zinc/03/64/54/1436036454.db2.gz JHEBZWAUQYIEBH-FOIQADDNSA-N 0 0 379.460 3.258 20 30 GGEDRN COc1ccc([C@@H](NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)C(C)C)cc1 ZINC000284637831 1436036488 /nfs/dbraw/zinc/03/64/88/1436036488.db2.gz JHEBZWAUQYIEBH-QRWLVFNGSA-N 0 0 379.460 3.258 20 30 GGEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H](C(N)=O)C2)cc1 ZINC000284751444 1436046457 /nfs/dbraw/zinc/04/64/57/1436046457.db2.gz YWTYKUSHVXIXDJ-HNNXBMFYSA-N 0 0 394.431 3.088 20 30 GGEDRN C=CCC[C@@H](NC(=O)C(=O)NCc1ccc(OCCOC)cc1)c1ccccc1 ZINC000284806154 1436051707 /nfs/dbraw/zinc/05/17/07/1436051707.db2.gz XDGCCWZFSXDECX-OAQYLSRUSA-N 0 0 396.487 3.152 20 30 GGEDRN C=CC[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419579 1441459692 /nfs/dbraw/zinc/45/96/92/1441459692.db2.gz WHXCLNXJRPPRQB-UHFFFAOYSA-N 0 0 387.447 3.147 20 30 GGEDRN C=CC[NH+]1CCC(Nc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)CC1 ZINC000735429775 1441832036 /nfs/dbraw/zinc/83/20/36/1441832036.db2.gz XDYAXZCQBYMNOB-UHFFFAOYSA-N 0 0 388.479 3.038 20 30 GGEDRN CC[N@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000821206472 1441915298 /nfs/dbraw/zinc/91/52/98/1441915298.db2.gz BNGBBZVEHDZCAH-OAHLLOKOSA-N 0 0 389.463 3.150 20 30 GGEDRN C=CC[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1cccc(-c2nnn[n-]2)c1 ZINC000823904296 1442111419 /nfs/dbraw/zinc/11/14/19/1442111419.db2.gz ZWVGQXSMJKIBTK-UXBLZVDNSA-N 0 0 376.420 3.476 20 30 GGEDRN CC[N@H+](CCOc1ccc(C#N)cc1OC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736540916 1443529422 /nfs/dbraw/zinc/52/94/22/1443529422.db2.gz COCCIQAOKHQQSX-HNNXBMFYSA-N 0 0 392.463 3.209 20 30 GGEDRN C=CCC[C@@H](O)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000819734362 1443582631 /nfs/dbraw/zinc/58/26/31/1443582631.db2.gz 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GGEDRN CC(C)Oc1ncnc2c1CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)CC2 ZINC001164695229 719790325 /nfs/dbraw/zinc/79/03/25/719790325.db2.gz KRHYXUFJNGTZAU-UHFFFAOYSA-N 0 0 393.825 3.334 20 30 GGEDRN N#Cc1cc(C(F)(F)N2CCC[C@]3(CCN(CC4CC4)C3=O)C2)cnc1Cl ZINC001164821272 720279789 /nfs/dbraw/zinc/27/97/89/720279789.db2.gz ZZAYRWJUPFZCLP-SFHVURJKSA-N 0 0 394.853 3.380 20 30 GGEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164722606 720389233 /nfs/dbraw/zinc/38/92/33/720389233.db2.gz DQHJYJMUUHMGAJ-HZPDHXFCSA-N 0 0 389.837 3.400 20 30 GGEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164726454 720390681 /nfs/dbraw/zinc/39/06/81/720390681.db2.gz OMWXDTOTTWNQQV-DLBZAZTESA-N 0 0 389.837 3.400 20 30 GGEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164725362 720391753 /nfs/dbraw/zinc/39/17/53/720391753.db2.gz MYWMIFPZIOKSBZ-CVEARBPZSA-N 0 0 389.837 3.400 20 30 GGEDRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3ccnc(Cl)c3C#N)O2)n1 ZINC001164832045 720401287 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395.866 3.176 20 30 GGEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164788207 721412017 /nfs/dbraw/zinc/41/20/17/721412017.db2.gz RKGULVZPGIEARD-BETUJISGSA-N 0 0 395.866 3.176 20 30 GGEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164789631 721412811 /nfs/dbraw/zinc/41/28/11/721412811.db2.gz VPPBGFRBQNXEAJ-CHWSQXEVSA-N 0 0 395.866 3.176 20 30 GGEDRN C[Si](C)(C)C#Cc1cccnc1N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164787408 721417787 /nfs/dbraw/zinc/41/77/87/721417787.db2.gz QNAIQDFSLICXSO-QZTJIDSGSA-N 0 0 382.609 3.335 20 30 GGEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164787134 721420416 /nfs/dbraw/zinc/42/04/16/721420416.db2.gz PGVMGQNZUCRYPM-BETUJISGSA-N 0 0 395.866 3.176 20 30 GGEDRN N#Cc1ccc(-c2ccncc2)nc1N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164782641 721424464 /nfs/dbraw/zinc/42/44/64/721424464.db2.gz HAMHDQQBLDOPPA-QZTJIDSGSA-N 0 0 388.500 3.040 20 30 GGEDRN N#Cc1nc(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c(Cl)cc1Cl ZINC001164780853 721434134 /nfs/dbraw/zinc/43/41/34/721434134.db2.gz AOBUTPBTSCKKDR-QWRGUYRKSA-N 0 0 380.304 3.285 20 30 GGEDRN C=CCOCc1nn(C)c2c1CN(C(F)(F)c1cc(Cl)nc(OC)c1)CC2 ZINC001164787380 721445884 /nfs/dbraw/zinc/44/58/84/721445884.db2.gz WXAVDRBPDOLPQX-UHFFFAOYSA-N 0 0 398.841 3.287 20 30 GGEDRN C=CCOCc1nn(C)c2c1CN(C(F)(F)c1nc(Cl)ccc1F)CC2 ZINC001164781919 721446592 /nfs/dbraw/zinc/44/65/92/721446592.db2.gz HJMNZWLCDWLVER-UHFFFAOYSA-N 0 0 386.805 3.418 20 30 GGEDRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(C#N)c3)CC[C@H]21 ZINC001164890678 721463766 /nfs/dbraw/zinc/46/37/66/721463766.db2.gz KXRWERMKWKOPFP-IUODEOHRSA-N 0 0 382.842 3.235 20 30 GGEDRN CCOC[C@@H]1CN(C(F)(F)c2ccc(C#N)c(Cl)n2)Cc2cnn(C)c21 ZINC001164793435 721475952 /nfs/dbraw/zinc/47/59/52/721475952.db2.gz VCGCWFXRMNPVDZ-ZDUSSCGKSA-N 0 0 381.814 3.025 20 30 GGEDRN CCOC[C@H]1CN(C(F)(F)c2ccnc(Cl)c2C#N)Cc2cnn(C)c21 ZINC001164789805 721476240 /nfs/dbraw/zinc/47/62/40/721476240.db2.gz CRQWCYLNJCCERK-GFCCVEGCSA-N 0 0 381.814 3.025 20 30 GGEDRN CCOC[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2C#N)Cc2cnn(C)c21 ZINC001164789806 721476359 /nfs/dbraw/zinc/47/63/59/721476359.db2.gz CRQWCYLNJCCERK-LBPRGKRZSA-N 0 0 381.814 3.025 20 30 GGEDRN CCOC[C@H]1CN(C(F)(F)c2cc(Cl)ncc2C#N)Cc2cnn(C)c21 ZINC001164791362 721477080 /nfs/dbraw/zinc/47/70/80/721477080.db2.gz HZVFLCVNXRWFDC-CYBMUJFWSA-N 0 0 381.814 3.025 20 30 GGEDRN CCOC[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2C#N)Cc2cnn(C)c21 ZINC001164791364 721477357 /nfs/dbraw/zinc/47/73/57/721477357.db2.gz HZVFLCVNXRWFDC-ZDUSSCGKSA-N 0 0 381.814 3.025 20 30 GGEDRN Cc1cc(Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1C#N ZINC001164803706 721530171 /nfs/dbraw/zinc/53/01/71/721530171.db2.gz IVPCSCOZNJVVQT-CMKODMSKSA-N 0 0 397.910 3.178 20 30 GGEDRN Cc1cc(Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1C#N ZINC001164803708 721530310 /nfs/dbraw/zinc/53/03/10/721530310.db2.gz IVPCSCOZNJVVQT-HBFSDRIKSA-N 0 0 397.910 3.178 20 30 GGEDRN Cc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(Cl)cc1C#N ZINC001164807606 721590134 /nfs/dbraw/zinc/59/01/34/721590134.db2.gz OYYABTYVXMPSEN-AABGKKOBSA-N 0 0 397.910 3.178 20 30 GGEDRN Cc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(Cl)cc1C#N ZINC001164807614 721590432 /nfs/dbraw/zinc/59/04/32/721590432.db2.gz OYYABTYVXMPSEN-UFYCRDLUSA-N 0 0 397.910 3.178 20 30 GGEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164803529 721599826 /nfs/dbraw/zinc/59/98/26/721599826.db2.gz VGQCZCWZWLSZTJ-UHFFFAOYSA-N 0 0 393.825 3.295 20 30 GGEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164798369 721599831 /nfs/dbraw/zinc/59/98/31/721599831.db2.gz FBWVRTPODIBIQP-UHFFFAOYSA-N 0 0 393.825 3.295 20 30 GGEDRN CC(C)C(=O)N1CCC[C@@]12CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2 ZINC001165011838 721724007 /nfs/dbraw/zinc/72/40/07/721724007.db2.gz WKPYPUUOFOPYDS-KRWDZBQOSA-N 0 0 382.842 3.379 20 30 GGEDRN CC(C)C(=O)N1CCC[C@]12CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)C2 ZINC001165009492 721725375 /nfs/dbraw/zinc/72/53/75/721725375.db2.gz XOICDAYEZLGXFR-QGZVFWFLSA-N 0 0 382.842 3.379 20 30 GGEDRN CC(C)C(=O)N1CCC[C@@]12CCN(C(F)(F)c1cnc(Cl)cc1C#N)C2 ZINC001165009082 721725677 /nfs/dbraw/zinc/72/56/77/721725677.db2.gz TYRAGIBTAOMEFY-KRWDZBQOSA-N 0 0 382.842 3.379 20 30 GGEDRN Cc1cnc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c(C=NO)c1 ZINC001164909486 721759109 /nfs/dbraw/zinc/75/91/09/721759109.db2.gz FPFFDKSKPJGBOF-UHFFFAOYSA-N 0 0 391.475 3.381 20 30 GGEDRN N#Cc1ccc(C(F)(F)N2CCc3ncnc(C4CC4)c3CC2)nc1Cl ZINC001164914271 721803277 /nfs/dbraw/zinc/80/32/77/721803277.db2.gz BOIBRRDJTQBBGH-UHFFFAOYSA-N 0 0 375.810 3.424 20 30 GGEDRN N#Cc1cc(C(F)(F)N2CCc3ncnc(C4CC4)c3CC2)cnc1Cl ZINC001164918059 721803705 /nfs/dbraw/zinc/80/37/05/721803705.db2.gz ZYFMKRDZFXJTBH-UHFFFAOYSA-N 0 0 375.810 3.424 20 30 GGEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CCc2ncnc(C3CC3)c2CC1 ZINC001164915373 721803720 /nfs/dbraw/zinc/80/37/20/721803720.db2.gz JIOOUTRYGZOACH-UHFFFAOYSA-N 0 0 375.810 3.424 20 30 GGEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CCc2ncnc(C3CC3)c2CC1 ZINC001164914524 721803736 /nfs/dbraw/zinc/80/37/36/721803736.db2.gz DAKZGNHTYGHNAX-UHFFFAOYSA-N 0 0 375.810 3.424 20 30 GGEDRN N#CCCN(C1CCCC1)C(F)(F)c1nc(Cl)cc(N2CCOCC2)n1 ZINC001165017888 721835481 /nfs/dbraw/zinc/83/54/81/721835481.db2.gz MQADMWRVISMJKT-UHFFFAOYSA-N 0 0 385.846 3.174 20 30 GGEDRN CCOC(=O)c1cnc(C(F)(F)N(C)Cc2ccc(C#N)cc2)nc1Cl ZINC001165017723 721836570 /nfs/dbraw/zinc/83/65/70/721836570.db2.gz OKMNEYNAONNXAW-UHFFFAOYSA-N 0 0 380.782 3.360 20 30 GGEDRN C[C@@H]1C(=O)NCCN1C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1 ZINC001165036237 721884492 /nfs/dbraw/zinc/88/44/92/721884492.db2.gz RNWKAFJFCKWKNI-MRVPVSSYSA-N 0 0 385.201 3.283 20 30 GGEDRN N#Cc1ccc(Oc2nc(Cl)ncc2N2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC001165043457 721925119 /nfs/dbraw/zinc/92/51/19/721925119.db2.gz KHYGAKNSJDXUFY-KRWDZBQOSA-N 0 0 399.882 3.095 20 30 GGEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CCN(CCOc2ccccc2)CC1 ZINC001165043880 721955432 /nfs/dbraw/zinc/95/54/32/721955432.db2.gz GFOQHLSBXYDUNF-UHFFFAOYSA-N 0 0 392.837 3.353 20 30 GGEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CCN(CCOc2ccccc2)CC1 ZINC001165045482 721956787 /nfs/dbraw/zinc/95/67/87/721956787.db2.gz WAZHDXAJOZQXKS-UHFFFAOYSA-N 0 0 392.837 3.353 20 30 GGEDRN N#Cc1cc(C(F)(F)N2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)cc(Cl)n1 ZINC001164957043 722046983 /nfs/dbraw/zinc/04/69/83/722046983.db2.gz HBSXYYXIRREVKU-SMDDNHRTSA-N 0 0 392.793 3.095 20 30 GGEDRN N#Cc1cc(C(F)(F)N2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)cnc1Cl ZINC001164956847 722047260 /nfs/dbraw/zinc/04/72/60/722047260.db2.gz DGSPSDJWBZWSTF-SMDDNHRTSA-N 0 0 392.793 3.095 20 30 GGEDRN N#Cc1cc(Cl)nc(C(F)(F)N2C[C@H]3[C@@H](CCN3C(=O)c3ccco3)C2)c1 ZINC001164959199 722047270 /nfs/dbraw/zinc/04/72/70/722047270.db2.gz PXRVDOWXBHCBFV-STQMWFEESA-N 0 0 392.793 3.095 20 30 GGEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001164961298 722047370 /nfs/dbraw/zinc/04/73/70/722047370.db2.gz YHYLNCBPSCUXSG-QWHCGFSZSA-N 0 0 392.793 3.095 20 30 GGEDRN N#Cc1c(Cl)nccc1C(F)(F)N1C[C@@H]2C[C@@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001164976799 722084600 /nfs/dbraw/zinc/08/46/00/722084600.db2.gz WSGJVHYRVJMWIP-CLLJXQQHSA-N 0 0 394.853 3.283 20 30 GGEDRN N#Cc1cc(Cl)nc(C(F)(F)N2C[C@@H]3C[C@@H](C(=O)NC4CCC4)C[C@@H]3C2)c1 ZINC001164972583 722085108 /nfs/dbraw/zinc/08/51/08/722085108.db2.gz LUGQQMWXWPAJKH-BTTYYORXSA-N 0 0 394.853 3.283 20 30 GGEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1C[C@@H]2C[C@@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001164974979 722085122 /nfs/dbraw/zinc/08/51/22/722085122.db2.gz RUZABYGTWVBUDL-BTTYYORXSA-N 0 0 394.853 3.283 20 30 GGEDRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3cc(Cl)ncc3C#N)C2)C1=O ZINC001164979945 722162171 /nfs/dbraw/zinc/16/21/71/722162171.db2.gz MFOMGCBXHDNZMX-SFHVURJKSA-N 0 0 388.805 3.276 20 30 GGEDRN C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1cc(N)cc(Cl)n1)CCO2 ZINC001164973478 722168602 /nfs/dbraw/zinc/16/86/02/722168602.db2.gz BLYAKPQPMCDQRH-DYVFJYSZSA-N 0 0 387.858 3.440 20 30 GGEDRN C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1cc(N)cc(Cl)n1)CCO2 ZINC001164973484 722168734 /nfs/dbraw/zinc/16/87/34/722168734.db2.gz BLYAKPQPMCDQRH-SUMWQHHRSA-N 0 0 387.858 3.440 20 30 GGEDRN C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1cnc(Cl)c(N)c1)CCO2 ZINC001164975129 722169030 /nfs/dbraw/zinc/16/90/30/722169030.db2.gz HIVKEHYFZXORQY-SUMWQHHRSA-N 0 0 387.858 3.440 20 30 GGEDRN C=CCOC[C@H]1CCC[C@@]12CN(C(F)(F)c1cnc(Cl)c(N)c1)CCO2 ZINC001164974764 722169171 /nfs/dbraw/zinc/16/91/71/722169171.db2.gz HIVKEHYFZXORQY-CXAGYDPISA-N 0 0 387.858 3.440 20 30 GGEDRN C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)Oc1cnc(Cl)cn1)CCO2 ZINC001164980943 722170012 /nfs/dbraw/zinc/17/00/12/722170012.db2.gz ZCQTXYIMWKHAGB-CJNGLKHVSA-N 0 0 389.830 3.133 20 30 GGEDRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)ccc4CC#N)CC[C@@H]32)cs1 ZINC001164988634 722185472 /nfs/dbraw/zinc/18/54/72/722185472.db2.gz NCSJASATNYGGCC-VQTJNVASSA-N 0 0 397.548 3.091 20 30 GGEDRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)ccc4CC#N)CC[C@H]32)cs1 ZINC001164988635 722185524 /nfs/dbraw/zinc/18/55/24/722185524.db2.gz NCSJASATNYGGCC-WOJBJXKFSA-N 0 0 397.548 3.091 20 30 GGEDRN N#Cc1nc(Cl)c(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc1C#N ZINC001164996250 722199814 /nfs/dbraw/zinc/19/98/14/722199814.db2.gz SEYNEJTWMPBVEE-HXUWFJFHSA-N 0 0 396.857 3.257 20 30 GGEDRN Cc1csc(-c2cccc(C(=O)Nc3ccc(-c4nn[nH]n4)c(C#N)c3)c2)n1 ZINC000737448127 945071304 /nfs/dbraw/zinc/07/13/04/945071304.db2.gz KTAWNQONYJVLMG-UHFFFAOYSA-N 0 0 387.428 3.423 20 30 GGEDRN O=C(C=Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1cccc(-c2ccncc2)c1 ZINC000737808391 945129534 /nfs/dbraw/zinc/12/95/34/945129534.db2.gz RMWYPYCVQUNMRL-AATRIKPKSA-N 0 0 393.410 3.473 20 30 GGEDRN C=C(C)C[NH+]1CCC(NC(=O)N[C@](CC)(C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000908947044 939360526 /nfs/dbraw/zinc/36/05/26/939360526.db2.gz YUZGQHRKUGOARH-FQEVSTJZSA-N 0 0 393.915 3.370 20 30 GGEDRN C=CCc1ccccc1OS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000799744890 945269443 /nfs/dbraw/zinc/26/94/43/945269443.db2.gz SYQMCCWHVGZQOJ-UHFFFAOYSA-N 0 0 376.825 3.016 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000819744074 945278835 /nfs/dbraw/zinc/27/88/35/945278835.db2.gz VJYMDSAAJKCWJF-HNNXBMFYSA-N 0 0 392.463 3.334 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Nc1nc(CCC)cs1 ZINC000823915399 946517533 /nfs/dbraw/zinc/51/75/33/946517533.db2.gz WXQJKBQDUUDTSB-UHFFFAOYSA-N 0 0 383.481 3.496 20 30 GGEDRN C[C@@H](C#N)CN(C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824034931 946561200 /nfs/dbraw/zinc/56/12/00/946561200.db2.gz QMVIFHSRPJEWKE-LSDHHAIUSA-N 0 0 389.463 3.396 20 30 GGEDRN C#CC1(NC(=O)c2cccc(COc3ccc(-c4nn[nH]n4)cc3)c2)CCCC1 ZINC001573278962 946628229 /nfs/dbraw/zinc/62/82/29/946628229.db2.gz AUAYXXHSKZDNSU-UHFFFAOYSA-N 0 0 387.443 3.122 20 30 GGEDRN C#C[C@@H](C)N(C)c1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CC1(CC)CCC1 ZINC001573279155 946633044 /nfs/dbraw/zinc/63/30/44/946633044.db2.gz CKPBQCWEOGCURX-OAHLLOKOSA-N 0 0 390.495 3.163 20 30 GGEDRN C#C[C@@H](NC(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1)c1ccccc1 ZINC001573279245 946635469 /nfs/dbraw/zinc/63/54/69/946635469.db2.gz DVIUHTCQMSGQOH-GOSISDBHSA-N 0 0 399.410 3.143 20 30 GGEDRN C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3nn[nH]n3)cc2)n1CC(C)(C)CC=C ZINC001573281371 946673989 /nfs/dbraw/zinc/67/39/89/946673989.db2.gz YGQOHNMPNLYHFT-OAHLLOKOSA-N 0 0 390.495 3.185 20 30 GGEDRN C#CCN(Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC001573283501 946716502 /nfs/dbraw/zinc/71/65/02/946716502.db2.gz SMDFERSOGQNGFJ-IBGZPJMESA-N 0 0 388.431 3.288 20 30 GGEDRN C#CCN(C(=O)CCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCc2ccccc21 ZINC001573283822 946726742 /nfs/dbraw/zinc/72/67/42/946726742.db2.gz VYCJEWJIAFONGZ-OAQYLSRUSA-N 0 0 385.471 3.339 20 30 GGEDRN C#CCC1(C(=O)Nc2cnn(Cc3ccc(-c4nn[nH]n4)cc3)c2)CCCCC1 ZINC001573285457 946778158 /nfs/dbraw/zinc/77/81/58/946778158.db2.gz XBUUQCGIBNWBIC-UHFFFAOYSA-N 0 0 389.463 3.024 20 30 GGEDRN C#CCOc1ccccc1CNc1cc(Br)ccc1-c1nn[nH]n1 ZINC001573289819 946892339 /nfs/dbraw/zinc/89/23/39/946892339.db2.gz QJLKXYVODKIRJX-UHFFFAOYSA-N 0 0 384.237 3.253 20 30 GGEDRN C#Cc1ccc([C@H](OC(=O)c2ccc(-c3nn[nH]n3)cc2F)C(F)(F)F)cc1 ZINC001573290514 946905375 /nfs/dbraw/zinc/90/53/75/946905375.db2.gz LCLNSPCATRXLQW-HNNXBMFYSA-N 0 0 390.296 3.448 20 30 GGEDRN C#Cc1ccc(NC(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)cc1 ZINC001573290550 946907515 /nfs/dbraw/zinc/90/75/15/946907515.db2.gz LLRYMOALPOJYSM-UHFFFAOYSA-N 0 0 385.383 3.272 20 30 GGEDRN C=C(C)CN(CC)c1nnc(-c2ccc(-c3nn[nH]n3)cc2)n1C[C@H](C)SC ZINC001573293622 946963399 /nfs/dbraw/zinc/96/33/99/946963399.db2.gz DKKKOOXNCOGHHK-AWEZNQCLSA-N 0 0 398.540 3.279 20 30 GGEDRN C=C(C)CCC(=O)Oc1c(Br)cc(-c2nn[nH]n2)cc1OCC ZINC001573293736 946965265 /nfs/dbraw/zinc/96/52/65/946965265.db2.gz IEUXJPQRBWCOBV-UHFFFAOYSA-N 0 0 381.230 3.290 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001573293676 946965670 /nfs/dbraw/zinc/96/56/70/946965670.db2.gz FYPWTRSMJYRZMG-GJZGRUSLSA-N 0 0 378.484 3.184 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N(CC)C1CCCC1 ZINC001573293776 946966765 /nfs/dbraw/zinc/96/67/65/946966765.db2.gz JABJDEKHJJATLO-UHFFFAOYSA-N 0 0 378.484 3.470 20 30 GGEDRN C=C(C)C[C@H](Nc1cc(Br)c(-c2nn[nH]n2)cc1F)C(=O)OCC ZINC001573300707 947120270 /nfs/dbraw/zinc/12/02/70/947120270.db2.gz SMFWOKGMWITUOG-ZDUSSCGKSA-N 0 0 398.236 3.078 20 30 GGEDRN CCCOc1ccc(C=NOCCOc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000825339164 947159350 /nfs/dbraw/zinc/15/93/50/947159350.db2.gz PLXAZDSEIDDESD-UHFFFAOYSA-N 0 0 397.435 3.094 20 30 GGEDRN C=CC(C)(C)CCCNC(=O)Nc1ccc(Br)c(-c2nn[nH]n2)n1 ZINC001573307063 947176475 /nfs/dbraw/zinc/17/64/75/947176475.db2.gz OPLFWSMSRRKUGR-UHFFFAOYSA-N 0 0 394.277 3.138 20 30 GGEDRN C=CC1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC001573315377 947252664 /nfs/dbraw/zinc/25/26/64/947252664.db2.gz MCKFALWHIYBCFE-CYBMUJFWSA-N 0 0 382.472 3.015 20 30 GGEDRN C=CC1CCN(c2nnc(-c3cccc(-c4nn[nH]n4)c3)n2CC2(C)CC2)CC1 ZINC001573316129 947265243 /nfs/dbraw/zinc/26/52/43/947265243.db2.gz SANIQNGWSIGIBE-UHFFFAOYSA-N 0 0 390.495 3.328 20 30 GGEDRN C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(C)c(-c2nn[nH]n2)c1 ZINC001573326394 947371689 /nfs/dbraw/zinc/37/16/89/947371689.db2.gz OPPZGYJBFIZRBX-GOSISDBHSA-N 0 0 376.464 3.162 20 30 GGEDRN C=CC[C@H]1CCN1C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)nc1 ZINC001573329828 947425205 /nfs/dbraw/zinc/42/52/05/947425205.db2.gz PRRWSKMYEUQQEX-HNNXBMFYSA-N 0 0 377.408 3.236 20 30 GGEDRN C=CCCC[C@H](NC(=O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC001573334961 947467547 /nfs/dbraw/zinc/46/75/47/947467547.db2.gz KEOVTAGTSMNMHM-IBGZPJMESA-N 0 0 377.448 3.459 20 30 GGEDRN C=CCCCCCCCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC001573334959 947467762 /nfs/dbraw/zinc/46/77/62/947467762.db2.gz KCYOPEXFMOWBPM-UHFFFAOYSA-N 0 0 383.905 3.325 20 30 GGEDRN C=CCCCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CCS[C@@H](C)C1 ZINC001573335189 947475103 /nfs/dbraw/zinc/47/51/03/947475103.db2.gz NYFCLNACRIFPNB-AWEZNQCLSA-N 0 0 396.524 3.033 20 30 GGEDRN C=CCCC[C@H](NC(=O)COc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC001573335792 947490806 /nfs/dbraw/zinc/49/08/06/947490806.db2.gz UZDUFEBGQMZHSM-SFHVURJKSA-N 0 0 377.448 3.459 20 30 GGEDRN C=CCCCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CCC[C@@H]1CC ZINC001573335954 947495750 /nfs/dbraw/zinc/49/57/50/947495750.db2.gz XQEMDWIPOJUJHA-KRWDZBQOSA-N 0 0 378.484 3.470 20 30 GGEDRN C=CCN(C(=O)c1ccc(-c2nn[nH]n2)n1C)c1nc(-c2ccccc2)cs1 ZINC001573340908 947520479 /nfs/dbraw/zinc/52/04/79/947520479.db2.gz CHXKKMHFWJJESF-UHFFFAOYSA-N 0 0 391.460 3.162 20 30 GGEDRN C=CCN(C)c1nnc(-c2ccc(-c3nn[nH]n3)cc2)n1C[C@]1(C)CCCS1 ZINC001573341367 947530371 /nfs/dbraw/zinc/53/03/71/947530371.db2.gz MBEXRHHZBPCOAV-IBGZPJMESA-N 0 0 396.524 3.033 20 30 GGEDRN C=CCCOCCCCC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[nH]n2)c1 ZINC001573341632 947534504 /nfs/dbraw/zinc/53/45/04/947534504.db2.gz ONXZMOALAIJKBZ-UHFFFAOYSA-N 0 0 399.373 3.467 20 30 GGEDRN C=CCN(CCc1ccccc1)C(=O)Nc1cc(OC)c(-c2nn[nH]n2)cc1F ZINC001573341930 947536884 /nfs/dbraw/zinc/53/68/84/947536884.db2.gz RJBAYGDXSLGWGD-UHFFFAOYSA-N 0 0 396.426 3.277 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCCc1cc(C)ccc1F ZINC001573342093 947538118 /nfs/dbraw/zinc/53/81/18/947538118.db2.gz TVDFVWHGHPKXQV-UHFFFAOYSA-N 0 0 394.454 3.255 20 30 GGEDRN C=CCN(C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1)[C@@H](C)COC ZINC001573342263 947539275 /nfs/dbraw/zinc/53/92/75/947539275.db2.gz VZAINQBHEGIFND-HNNXBMFYSA-N 0 0 393.447 3.322 20 30 GGEDRN C=CCN(C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1)[C@H](C)COC ZINC001573342267 947539949 /nfs/dbraw/zinc/53/99/49/947539949.db2.gz VZAINQBHEGIFND-OAHLLOKOSA-N 0 0 393.447 3.322 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C[C@@H]1OCc2ccccc21 ZINC001573342454 947540757 /nfs/dbraw/zinc/54/07/57/947540757.db2.gz YTSFSSFDMBQJCD-IBGZPJMESA-N 0 0 375.432 3.043 20 30 GGEDRN C=CCc1ccc(OC(=O)Cc2c(C)cc(-c3nn[nH]n3)cc2C)c(OC)c1 ZINC001573347941 947578535 /nfs/dbraw/zinc/57/85/35/947578535.db2.gz KBIKJWCISYSDIL-UHFFFAOYSA-N 0 0 378.432 3.369 20 30 GGEDRN C=CCn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001573348027 947578968 /nfs/dbraw/zinc/57/89/68/947578968.db2.gz LMFYFDLZCFJPPX-KRWDZBQOSA-N 0 0 378.484 3.184 20 30 GGEDRN C=CCn1ncc2ccc(NC(=O)N(C)Cc3cc(-c4nn[nH]n4)cs3)cc21 ZINC001573351622 947617472 /nfs/dbraw/zinc/61/74/72/947617472.db2.gz UPZJSTMTVYVXTN-UHFFFAOYSA-N 0 0 394.464 3.128 20 30 GGEDRN Cc1c(Cl)cnc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)c1-c1nn[nH]n1 ZINC000826240530 947715611 /nfs/dbraw/zinc/71/56/11/947715611.db2.gz YLRJZHPQLCQBIN-UHFFFAOYSA-N 0 0 391.826 3.097 20 30 GGEDRN N#Cc1ccc(NC(=O)c2coc(-c3ccccc3Cl)n2)cc1-c1nn[nH]n1 ZINC000826385251 948188018 /nfs/dbraw/zinc/18/80/18/948188018.db2.gz DEXFNCDBXXKYBR-UHFFFAOYSA-N 0 0 391.778 3.299 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC[C@@H](CNc2c(C#N)cccc2-c2nn[nH]n2)CC1 ZINC001573854039 950335637 /nfs/dbraw/zinc/33/56/37/950335637.db2.gz XOULJLHVLWGBOP-CQSZACIVSA-N 0 0 397.483 3.187 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](C)[C@@H](C(=O)[O-])C3)sc2C1 ZINC001589363899 954174170 /nfs/dbraw/zinc/17/41/70/954174170.db2.gz NKPAEBSDMLAURH-WWGRRREGSA-N 0 0 389.521 3.116 20 30 GGEDRN C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@H](C(=O)[O-])c3ccccc3)sc2C1 ZINC001589364359 954177172 /nfs/dbraw/zinc/17/71/72/954177172.db2.gz RHDBPRGQAZEXIR-DJJJIMSYSA-N 0 0 397.500 3.489 20 30 GGEDRN C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C3(C(=O)[O-])CCCC3)sc2C1 ZINC001589364785 954180035 /nfs/dbraw/zinc/18/00/35/954180035.db2.gz XZTHLIIESVAXSY-LBPRGKRZSA-N 0 0 375.494 3.060 20 30 GGEDRN N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H](CCC(=O)[O-])C1)CCC2 ZINC001594614563 956232537 /nfs/dbraw/zinc/23/25/37/956232537.db2.gz ZOFZTFBIHRYFOV-CYBMUJFWSA-N 0 0 375.494 3.014 20 30 GGEDRN N#Cc1ccc(CN2CCC([NH2+][C@@H]3C[C@@H](C(=O)[O-])c4ccccc43)CC2)cc1 ZINC001594620941 956280502 /nfs/dbraw/zinc/28/05/02/956280502.db2.gz XCOJWJFGSWJDGW-FGZHOGPDSA-N 0 0 375.472 3.425 20 30 GGEDRN N#Cc1ccc(Oc2ccc(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)cc2)cc1 ZINC001594625454 956310173 /nfs/dbraw/zinc/31/01/73/956310173.db2.gz QYRGUGDAKVYZBQ-UHFFFAOYSA-N 0 0 394.431 3.021 20 30 GGEDRN N#Cc1ccccc1COc1cccc(C[NH2+][C@@H](Cc2ccncc2)C(=O)[O-])c1 ZINC001594631755 956345102 /nfs/dbraw/zinc/34/51/02/956345102.db2.gz IOLYVABZOLOSJU-QFIPXVFZSA-N 0 0 387.439 3.318 20 30 GGEDRN COC[C@@]1(C(=O)[O-])CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001593967208 956565661 /nfs/dbraw/zinc/56/56/61/956565661.db2.gz RBQVJNSZZHKFMR-JOCHJYFZSA-N 0 0 378.472 3.309 20 30 GGEDRN C[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001332977733 957770485 /nfs/dbraw/zinc/77/04/85/957770485.db2.gz APHOHOIEIVLHGD-FHLIZLRMSA-N 0 0 381.480 3.084 20 30 GGEDRN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001588545000 958991044 /nfs/dbraw/zinc/99/10/44/958991044.db2.gz GDRKAGZUFWSUDH-JKSUJKDBSA-N 0 0 375.444 3.038 20 30 GGEDRN C[C@]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)(C(=O)[O-])c1ccccc1 ZINC001573629620 959544598 /nfs/dbraw/zinc/54/45/98/959544598.db2.gz BWCIFHBJTATMGK-HXUWFJFHSA-N 0 0 383.473 3.027 20 30 GGEDRN Cc1cccc([C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C(=O)[O-])c1 ZINC001574395154 961208509 /nfs/dbraw/zinc/20/85/09/961208509.db2.gz UMQYCDCWCJWWHP-SFHVURJKSA-N 0 0 383.473 3.161 20 30 GGEDRN N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3ccc(C(=O)[O-])cc3F)CC2)c1 ZINC001574488669 961699375 /nfs/dbraw/zinc/69/93/75/961699375.db2.gz DTOQVTFVUDKRCE-UHFFFAOYSA-N 0 0 396.422 3.182 20 30 GGEDRN C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001574014124 961936218 /nfs/dbraw/zinc/93/62/18/961936218.db2.gz REZJAGNXOXHABN-UHFFFAOYSA-N 0 0 397.475 3.101 20 30 GGEDRN C#CC[N@H+](C[C@@H]1CCCC[C@@H]1C(=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001573311447 962703375 /nfs/dbraw/zinc/70/33/75/962703375.db2.gz QKGDSXKAMDXRIG-WMZOPIPTSA-N 0 0 378.513 3.212 20 30 GGEDRN C=C(CCC(=O)[O-])C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001573332820 962845144 /nfs/dbraw/zinc/84/51/44/962845144.db2.gz SIXLSLJMLLOZTF-UHFFFAOYSA-N 0 0 384.398 3.161 20 30 GGEDRN C=CC(C)(C)CCCNC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001573347757 962950718 /nfs/dbraw/zinc/95/07/18/962950718.db2.gz NMQXOXFLGZJLEE-UHFFFAOYSA-N 0 0 388.512 3.007 20 30 GGEDRN C=CC[C@H](C(=O)[O-])[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001573351635 962979336 /nfs/dbraw/zinc/97/93/36/962979336.db2.gz WBYAAHHZGRZWLI-OAHLLOKOSA-N 0 0 381.270 3.129 20 30 GGEDRN C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)C(C)C ZINC001573368486 963079370 /nfs/dbraw/zinc/07/93/70/963079370.db2.gz MMFLYDKYODPJEH-OFNKIYASSA-N 0 0 399.535 3.123 20 30 GGEDRN C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)C(C)C ZINC001573368484 963079392 /nfs/dbraw/zinc/07/93/92/963079392.db2.gz MMFLYDKYODPJEH-NZQKXSOJSA-N 0 0 399.535 3.123 20 30 GGEDRN C=CCOC[C@@H]([NH2+]CC1(CCC)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001573368989 963089324 /nfs/dbraw/zinc/08/93/24/963089324.db2.gz NIKXBKJKEXVTIS-MRXNPFEDSA-N 0 0 384.517 3.049 20 30 GGEDRN C=CC[NH+]1CCC(NC(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CC1 ZINC001573369460 963096780 /nfs/dbraw/zinc/09/67/80/963096780.db2.gz ZSMVPPKMBKJNEC-UHFFFAOYSA-N 0 0 386.496 3.147 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC001592226476 977419544 /nfs/dbraw/zinc/41/95/44/977419544.db2.gz ZENIQNLHKUPVIT-KBPBESRZSA-N 0 0 375.494 3.204 20 30 GGEDRN C[C@](CC(=O)[O-])([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(F)c1 ZINC001592319907 977712933 /nfs/dbraw/zinc/71/29/33/977712933.db2.gz GIZNAESALLPOMW-LJQANCHMSA-N 0 0 389.814 3.269 20 30 GGEDRN C[C@H](CC[NH+](C)C)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001592513052 978342699 /nfs/dbraw/zinc/34/26/99/978342699.db2.gz BGLHVHDRGZYADT-MRXNPFEDSA-N 0 0 379.460 3.246 20 30 GGEDRN CCc1nc(CN2CCC(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cs1 ZINC000737280735 978393911 /nfs/dbraw/zinc/39/39/11/978393911.db2.gz URFGIJAOXWORSI-HXUWFJFHSA-N 0 0 398.532 3.205 20 30 GGEDRN C#CC[NH+]1CCC(C(=O)OCc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000737492295 978411093 /nfs/dbraw/zinc/41/10/93/978411093.db2.gz IYSNWAMGWFOLID-UHFFFAOYSA-N 0 0 375.421 3.127 20 30 GGEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](CCC(=O)[O-])C(C)C)c1C#N ZINC000832849541 979050649 /nfs/dbraw/zinc/05/06/49/979050649.db2.gz ISMVXHMWESIPFT-UHFFFAOYSA-N 0 0 382.464 3.089 20 30 GGEDRN C=CCOc1c(Cl)cc(C[NH2+][C@@H](CC2CCOCC2)C(=O)[O-])cc1OC ZINC000901777894 980508468 /nfs/dbraw/zinc/50/84/68/980508468.db2.gz SKQSBKFKFVXKFW-INIZCTEOSA-N 0 0 383.872 3.273 20 30 GGEDRN C=CCOC[C@H]([NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000901808589 980530031 /nfs/dbraw/zinc/53/00/31/980530031.db2.gz HLLMEFIJCAZKSX-LBPRGKRZSA-N 0 0 382.176 3.213 20 30 GGEDRN C=CCOC[C@@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)C(=O)[O-] ZINC000901809744 980530869 /nfs/dbraw/zinc/53/08/69/980530869.db2.gz HDJRDIKBNBQHJA-GFCCVEGCSA-N 0 0 382.176 3.213 20 30 GGEDRN C=CCOC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)C(=O)[O-] ZINC000901811051 980532700 /nfs/dbraw/zinc/53/27/00/980532700.db2.gz VJDVJCDGZQPTIO-MRXNPFEDSA-N 0 0 397.313 3.185 20 30 GGEDRN C=CCCC[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000910916468 982163222 /nfs/dbraw/zinc/16/32/22/982163222.db2.gz WBMUIYGOYBWTBH-QFBILLFUSA-N 0 0 398.425 3.367 20 30 GGEDRN CCCNC(=S)C(C(=O)c1ccc(C(=O)[O-])cc1)[n+]1ccc2c(c1)CCCC2 ZINC001595931263 983062368 /nfs/dbraw/zinc/06/23/68/983062368.db2.gz GBFJANNPKQRABC-UHFFFAOYSA-O 0 0 397.520 3.490 20 30 GGEDRN C#CC[C@@H]([NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1)C(=O)[O-] ZINC001588421940 983443515 /nfs/dbraw/zinc/44/35/15/983443515.db2.gz QJFLBFSSMAEMDK-SJKOYZFVSA-N 0 0 376.250 3.436 20 30 GGEDRN C#CC[C@@H]([NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C(C)C)C(=O)[O-] ZINC001588423456 983452590 /nfs/dbraw/zinc/45/25/90/983452590.db2.gz HTDTYOGAHGVLHU-MRXNPFEDSA-N 0 0 390.281 3.324 20 30 GGEDRN C#CC[N@H+](Cc1ccc(C(=O)[O-])s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001588469297 983501435 /nfs/dbraw/zinc/50/14/35/983501435.db2.gz CCFOKYPCUZMKEG-UHFFFAOYSA-N 0 0 378.494 3.281 20 30 GGEDRN C#CCNC(=S)C(C(=O)c1ccc(C(=O)[O-])cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC001588485440 983525230 /nfs/dbraw/zinc/52/52/30/983525230.db2.gz PBWJZYAIHFUHTI-UHFFFAOYSA-O 0 0 395.504 3.131 20 30 GGEDRN C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC001588517566 983565712 /nfs/dbraw/zinc/56/57/12/983565712.db2.gz VPNWIOPFFPTMGX-HNNXBMFYSA-N 0 0 383.473 3.031 20 30 GGEDRN C#Cc1ccc(NC(=O)CC[NH2+][C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)cc1 ZINC001588518122 983568123 /nfs/dbraw/zinc/56/81/23/983568123.db2.gz REPVJKIDUDJEEJ-MWTRTKDXSA-N 0 0 376.456 3.464 20 30 GGEDRN C=C(C)[C@@H]([NH2+]CCCN1C(=O)CS/C1=C\C(=O)[O-])c1ccc(F)c(F)c1 ZINC001588534411 983585597 /nfs/dbraw/zinc/58/55/97/983585597.db2.gz GGHLJZYKHROMHW-YZIPPPLESA-N 0 0 382.432 3.063 20 30 GGEDRN C=C(CCC(=O)[O-])C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC001588629333 983736355 /nfs/dbraw/zinc/73/63/55/983736355.db2.gz HHOCPSNJKNZZNU-UHFFFAOYSA-N 0 0 387.480 3.251 20 30 GGEDRN C=C[C@@H](C(=O)[O-])[NH+]1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001588668824 983806350 /nfs/dbraw/zinc/80/63/50/983806350.db2.gz AEVYZLGFWKPIMK-LBPRGKRZSA-N 0 0 393.203 3.229 20 30 GGEDRN C=CC[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001588728381 983982036 /nfs/dbraw/zinc/98/20/36/983982036.db2.gz JHLUJEYYDWRKIW-DZGCQCFKSA-N 0 0 385.245 3.185 20 30 GGEDRN C=CC[C@@H](C(=O)[O-])[NH+]1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001588729457 983989688 /nfs/dbraw/zinc/98/96/88/983989688.db2.gz KORAQLXHCDEJRN-NRFANRHFSA-N 0 0 394.471 3.053 20 30 GGEDRN C=CC[C@H](CO)C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001588737992 984031564 /nfs/dbraw/zinc/03/15/64/984031564.db2.gz ZHSYKOCGUFRUDC-NSHDSACASA-N 0 0 384.263 3.152 20 30 GGEDRN C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001588771114 984137996 /nfs/dbraw/zinc/13/79/96/984137996.db2.gz OKQVYSOKQPNZHQ-XFQXTVEOSA-N 0 0 383.492 3.004 20 30 GGEDRN C=CCOC[C@H]([NH2+]Cc1cc(F)ccc1Oc1cncc(Cl)c1)C(=O)[O-] ZINC001588866399 984425054 /nfs/dbraw/zinc/42/50/54/984425054.db2.gz OJJPBXAVZCGROP-INIZCTEOSA-N 0 0 380.803 3.412 20 30 GGEDRN CCO[C@@H]1C[C@@]([NH2+]Cc2cc(C#N)ccc2Br)(C(=O)[O-])C1(C)C ZINC001596838460 985507166 /nfs/dbraw/zinc/50/71/66/985507166.db2.gz OBUMTOKMYCFINA-RHSMWYFYSA-N 0 0 381.270 3.069 20 30 GGEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]3C[C@@]32C(=O)[O-])c1C#N ZINC001599973376 986047382 /nfs/dbraw/zinc/04/73/82/986047382.db2.gz PVNDDQPMNAROLM-ZHRRBRCNSA-N 0 0 398.507 3.359 20 30 GGEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](CCC(=O)[O-])CC(C)C)c1C#N ZINC001599973502 986048869 /nfs/dbraw/zinc/04/88/69/986048869.db2.gz WLHCQKONJYMLLQ-UHFFFAOYSA-N 0 0 388.512 3.463 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC001589331473 986186451 /nfs/dbraw/zinc/18/64/51/986186451.db2.gz FPTYEUKNMXKVSJ-ZIAGYGMSSA-N 0 0 375.494 3.062 20 30 GGEDRN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[N@H+](CCCCC(C)(C)C#N)C[C@]2(C(=O)[O-])C1 ZINC001589554178 987298427 /nfs/dbraw/zinc/29/84/27/987298427.db2.gz WTPAHMGYNUQDNG-VWKPWSFCSA-N 0 0 393.528 3.396 20 30 GGEDRN CC(C)(C)OC(=O)[C@@H]1C[N@H+](CC2CCC(C#N)CC2)CC12CC(C(=O)[O-])C2 ZINC001589865666 988459040 /nfs/dbraw/zinc/45/90/40/988459040.db2.gz DWOIIXOKIGLGRT-HQHQJUQOSA-N 0 0 376.497 3.071 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC[N@H+](CCC2(C#N)CCCCC2)[C@H](C(=O)[O-])C1 ZINC001590034618 989047394 /nfs/dbraw/zinc/04/73/94/989047394.db2.gz HSVGUMGTCGSNLF-INIZCTEOSA-N 0 0 379.501 3.247 20 30 GGEDRN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001590138597 989394652 /nfs/dbraw/zinc/39/46/52/989394652.db2.gz GXSSCJFOWRAQDI-DKIMLUQUSA-N 0 0 385.464 3.062 20 30 GGEDRN CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001590184988 989536535 /nfs/dbraw/zinc/53/65/35/989536535.db2.gz MVJNSOMBCGUETA-YJBOKZPZSA-N 0 0 387.480 3.311 20 30 GGEDRN CC(C)(C)OC(=O)NCCC1CC[NH+](Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001590185875 989547301 /nfs/dbraw/zinc/54/73/01/989547301.db2.gz VWFOWFGFDJFWSQ-UHFFFAOYSA-N 0 0 387.480 3.383 20 30 GGEDRN C[NH+](C)Cc1ccc(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)cn1 ZINC001598248573 991021880 /nfs/dbraw/zinc/02/18/80/991021880.db2.gz FEBQAQXNLLZXMN-UHFFFAOYSA-N 0 0 399.450 3.494 20 30 GGEDRN COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001599715158 991440920 /nfs/dbraw/zinc/44/09/20/991440920.db2.gz LWJUXZFQEABTNA-XLIONFOSSA-N 0 0 393.443 3.043 20 30 GGEDRN CC(C)C[C@@H](C(=O)[O-])[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC001591123121 991802969 /nfs/dbraw/zinc/80/29/69/991802969.db2.gz MYODOESYFIPUQK-DLBZAZTESA-N 0 0 394.313 3.131 20 30 GGEDRN C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598437025 991837264 /nfs/dbraw/zinc/83/72/64/991837264.db2.gz LYLFMEVLAASUSY-SJORKVTESA-N 0 0 389.249 3.112 20 30 GGEDRN C[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC001598594553 993485286 /nfs/dbraw/zinc/48/52/86/993485286.db2.gz PQPRMCYWIMFBBV-HXUWFJFHSA-N 0 0 377.444 3.000 20 30 GGEDRN C[C@H]([NH2+][C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001593195290 994146483 /nfs/dbraw/zinc/14/64/83/994146483.db2.gz CYUAWYJXKURLPG-SUNYJGFJSA-N 0 0 399.878 3.460 20 30 GGEDRN C[C@H]([NH2+][C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(N2CCCOC2=O)cc1 ZINC001593195548 994147894 /nfs/dbraw/zinc/14/78/94/994147894.db2.gz QMGRCJVZHPCDQN-LIRRHRJNSA-N 0 0 379.416 3.381 20 30 GGEDRN C[C@H]([NH2+][C@@H](CC(=O)[O-])C1CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001593204135 994196625 /nfs/dbraw/zinc/19/66/25/994196625.db2.gz MOBILKBUUFQXBB-NHYWBVRUSA-N 0 0 375.494 3.059 20 30 GGEDRN C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1cc(C(=O)[O-])ccc1O ZINC001593217555 994272772 /nfs/dbraw/zinc/27/27/72/994272772.db2.gz AGNLIDRFPBJCNL-HNNXBMFYSA-N 0 0 379.460 3.277 20 30 GGEDRN C[C@@H]([NH2+][C@@H]1CCCN(CCC(=O)[O-])C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001593222053 994330854 /nfs/dbraw/zinc/33/08/54/994330854.db2.gz GHTBZVUKJIUDQW-IIBYNOLFSA-N 0 0 391.471 3.342 20 30 GGEDRN C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccccc1OCC(=O)[O-] ZINC001593233716 994393131 /nfs/dbraw/zinc/39/31/31/994393131.db2.gz SSSUJVDXRFZPKQ-INIZCTEOSA-N 0 0 379.460 3.341 20 30 GGEDRN COc1cccc([C@H](C(=O)[O-])[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC001599650643 994493412 /nfs/dbraw/zinc/49/34/12/994493412.db2.gz NIFUZRQOXIPDDJ-HXUWFJFHSA-N 0 0 384.407 3.375 20 30 GGEDRN COc1cccc([C@H]2[C@@H]([NH2+]Cc3cccc(C(=O)[O-])c3C#N)CCN2C2CC2)c1 ZINC001599667414 994752599 /nfs/dbraw/zinc/75/25/99/994752599.db2.gz NOZWSDRTHHBBKV-VXKWHMMOSA-N 0 0 391.471 3.333 20 30 GGEDRN C[C@@H]([NH2+][C@H]1CCCCC[C@H]1C(=O)[O-])C(=O)N(CCC#N)c1ccc(F)cc1 ZINC001593354685 994996505 /nfs/dbraw/zinc/99/65/05/994996505.db2.gz WTOLJAPXZJMFRR-OLMNPRSZSA-N 0 0 375.444 3.084 20 30 GGEDRN C[C@H]([NH2+][C@H]1CCCCC[C@H]1C(=O)[O-])C(=O)N(CCC#N)c1ccc(F)cc1 ZINC001593354687 994997000 /nfs/dbraw/zinc/99/70/00/994997000.db2.gz WTOLJAPXZJMFRR-QGTPRVQTSA-N 0 0 375.444 3.084 20 30 GGEDRN COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C(=O)[O-])C1 ZINC001598801145 996139897 /nfs/dbraw/zinc/13/98/97/996139897.db2.gz QSIWZZGUGXVAMH-FXAWDEMLSA-N 0 0 378.428 3.063 20 30 GGEDRN COc1cc(C[NH2+][C@H](C(=O)[O-])c2ccccc2Br)ccc1C#N ZINC001599414599 997482565 /nfs/dbraw/zinc/48/25/65/997482565.db2.gz JKBFUOFKEMMEDS-INIZCTEOSA-N 0 0 375.222 3.245 20 30 GGEDRN CO[C@@H]1CCC[C@@H]([C@@H]([NH2+]Cc2ccc(C#N)cc2Br)C(=O)[O-])C1 ZINC001599107317 997502887 /nfs/dbraw/zinc/50/28/87/997502887.db2.gz DHKXXGLLLRXJFX-XNRPHZJLSA-N 0 0 381.270 3.069 20 30 GGEDRN COc1ccc([C@@H](O)C2CC[NH+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC001599531667 997666039 /nfs/dbraw/zinc/66/60/39/997666039.db2.gz JHJGGEXMMXLVOC-LEWJYISDSA-N 0 0 380.444 3.138 20 30 GGEDRN CC1(NC(=S)C(C(=O)c2cc(C(=O)[O-])co2)[n+]2ccc3c(c2)CCCC3)CC1 ZINC001594060045 997828245 /nfs/dbraw/zinc/82/82/45/997828245.db2.gz HLQZTCIVTWSHLX-UHFFFAOYSA-O 0 0 399.492 3.225 20 30 GGEDRN COc1cc(C#N)ccc1C[NH2+][C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC001599347801 998040613 /nfs/dbraw/zinc/04/06/13/998040613.db2.gz LLZCOFAPDWALHK-SFHVURJKSA-N 0 0 389.249 3.419 20 30 GGEDRN COc1cc(Br)ccc1C[NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001599348995 998060933 /nfs/dbraw/zinc/06/09/33/998060933.db2.gz ZNTJJSIMRICPML-INIZCTEOSA-N 0 0 375.222 3.245 20 30 GGEDRN COC(=O)c1cccc([C@H](C(=O)[O-])[NH+]2CCC(Nc3ccccc3C#N)CC2)c1 ZINC001598995967 998779817 /nfs/dbraw/zinc/77/98/17/998779817.db2.gz KNDKVHOFYMEWOQ-HXUWFJFHSA-N 0 0 393.443 3.047 20 30 GGEDRN COC(=O)c1cccc([C@@H](C(=O)[O-])[NH+]2CCC(Nc3ccccc3C#N)CC2)c1 ZINC001598995959 998779913 /nfs/dbraw/zinc/77/99/13/998779913.db2.gz KNDKVHOFYMEWOQ-FQEVSTJZSA-N 0 0 393.443 3.047 20 30 GGEDRN C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001594291071 999121759 /nfs/dbraw/zinc/12/17/59/999121759.db2.gz DNNLAZNIRRXDFS-FBNBDDNWSA-N 0 0 399.535 3.227 20 30 GGEDRN C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001594291072 999121766 /nfs/dbraw/zinc/12/17/66/999121766.db2.gz DNNLAZNIRRXDFS-KVEAFVNSSA-N 0 0 399.535 3.227 20 30 GGEDRN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001594292775 999129479 /nfs/dbraw/zinc/12/94/79/999129479.db2.gz UGERWSHTWPAIOQ-GHZBRMKWSA-N 0 0 397.519 3.034 20 30 GGEDRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001594406185 999520433 /nfs/dbraw/zinc/52/04/33/999520433.db2.gz SXUGXPQEIFYZEP-DTTOXWODSA-N 0 0 387.480 3.308 20 30 GGEDRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+][C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001594406187 999520587 /nfs/dbraw/zinc/52/05/87/999520587.db2.gz SXUGXPQEIFYZEP-KNCCTNLNSA-N 0 0 387.480 3.308 20 30 GGEDRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001594406184 999520677 /nfs/dbraw/zinc/52/06/77/999520677.db2.gz SXUGXPQEIFYZEP-DTDBQYNISA-N 0 0 387.480 3.308 20 30 GGEDRN C[C@@H]1CC[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001594412979 999544070 /nfs/dbraw/zinc/54/40/70/999544070.db2.gz XCZYDTIKYBDWML-JLSDUUJJSA-N 0 0 387.480 3.167 20 30 GGEDRN C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](C(=O)[O-])C1 ZINC001594418845 999563144 /nfs/dbraw/zinc/56/31/44/999563144.db2.gz KVJORTCRPOEOHV-DOMZBBRYSA-N 0 0 375.494 3.012 20 30 GGEDRN C[C@H](C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C1CC1)C(=O)[O-] ZINC001594442180 999628695 /nfs/dbraw/zinc/62/86/95/999628695.db2.gz NQBGUNWDLPFCMQ-QWHCGFSZSA-N 0 0 389.521 3.258 20 30 GGEDRN C=C(C)COc1cc(C[NH2+][C@@H](Cc2c[nH]c3cccnc23)C(=O)[O-])ccc1OC ZINC000904063162 1126132618 /nfs/dbraw/zinc/13/26/18/1126132618.db2.gz OKLLVGLKLCTRMG-SFHVURJKSA-N 0 0 395.459 3.312 20 30 GGEDRN N#Cc1ccc(C[NH2+][C@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])cc1F ZINC001601102096 1126222102 /nfs/dbraw/zinc/22/21/02/1126222102.db2.gz ZITZDOYHDYWYIE-MRXNPFEDSA-N 0 0 382.313 3.381 20 30 GGEDRN N#Cc1ccc(C[NH2+][C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])cc1F ZINC001601102095 1126222104 /nfs/dbraw/zinc/22/21/04/1126222104.db2.gz ZITZDOYHDYWYIE-INIZCTEOSA-N 0 0 382.313 3.381 20 30 GGEDRN COc1cc(C#N)ccc1C[NH2+][C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001607065336 1126232410 /nfs/dbraw/zinc/23/24/10/1126232410.db2.gz NHSOKZLMKMHEPV-INIZCTEOSA-N 0 0 394.349 3.251 20 30 GGEDRN O=C(NC1CCCCC1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000008202275 230861649 /nfs/dbraw/zinc/86/16/49/230861649.db2.gz RWTHLVYBKAUSHK-UHFFFAOYSA-N 0 0 375.494 3.137 20 30 GGEDRN Cc1cccc2cc(C(=O)N3CCN(CC(=O)NC4CC4)CC3)c(Cl)nc12 ZINC000328592589 231045815 /nfs/dbraw/zinc/04/58/15/231045815.db2.gz LEFHINCATKFYAD-UHFFFAOYSA-N 0 0 386.883 3.073 20 30 GGEDRN NC(=O)c1ccc(NC(=O)CNC(=O)OCC(F)(F)F)c(OCC(F)F)c1 ZINC000328593852 231045819 /nfs/dbraw/zinc/04/58/19/231045819.db2.gz RPYHVNGGQDZKAE-UHFFFAOYSA-N 0 0 399.272 3.295 20 30 GGEDRN CC(C)C[C@H](C(=O)Nc1ccc(CC#N)cc1)N1C(=O)c2ccccc2C1=O ZINC000017368360 210209493 /nfs/dbraw/zinc/20/94/93/210209493.db2.gz GHBWORXUIBDGIS-LJQANCHMSA-N 0 0 375.428 3.402 20 30 GGEDRN N#CCc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000015818025 210171525 /nfs/dbraw/zinc/17/15/25/210171525.db2.gz CRDBCZNNNAZDAH-UHFFFAOYSA-N 0 0 377.425 3.053 20 30 GGEDRN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O ZINC000015818044 210170910 /nfs/dbraw/zinc/17/09/10/210170910.db2.gz AYMUETVLDXNJJH-CQSZACIVSA-N 0 0 383.835 3.406 20 30 GGEDRN CCCn1c(CNc2ccc(C#N)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000015291309 210155436 /nfs/dbraw/zinc/15/54/36/210155436.db2.gz SJUADLFIXIINLP-UHFFFAOYSA-N 0 0 397.504 3.180 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000014236779 210111696 /nfs/dbraw/zinc/11/16/96/210111696.db2.gz WUOGSELPVPUNBM-KRWDZBQOSA-N 0 0 385.464 3.288 20 30 GGEDRN CC(C)c1ccccc1OCC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000014183022 210107013 /nfs/dbraw/zinc/10/70/13/210107013.db2.gz FHWTUYZGUFKTSN-UHFFFAOYSA-N 0 0 377.488 3.405 20 30 GGEDRN N#Cc1ncn(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)n1 ZINC000013007889 210045669 /nfs/dbraw/zinc/04/56/69/210045669.db2.gz DNRDDTHVCXVEJY-UHFFFAOYSA-N 0 0 398.220 3.343 20 30 GGEDRN Cc1nn(CC(=O)N2c3ccccc3CCc3ccccc32)c(=O)c(C#N)c1C ZINC000012983735 210039840 /nfs/dbraw/zinc/03/98/40/210039840.db2.gz HLPVWQKNLWWRDN-UHFFFAOYSA-N 0 0 384.439 3.195 20 30 GGEDRN CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2ccccc2C#N)ccc1F ZINC000012851973 210019036 /nfs/dbraw/zinc/01/90/36/210019036.db2.gz HMEJNPHXFBNLJQ-UHFFFAOYSA-N 0 0 390.436 3.085 20 30 GGEDRN N#Cc1ccc(OCC(=O)Nc2n[nH]c(-c3ccccc3Br)n2)cc1 ZINC000012762983 210005399 /nfs/dbraw/zinc/00/53/99/210005399.db2.gz AHBRMWCYEIOEBA-UHFFFAOYSA-N 0 0 398.220 3.123 20 30 GGEDRN N#Cc1ccccc1OCC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000010770934 209864394 /nfs/dbraw/zinc/86/43/94/209864394.db2.gz FKNWYZNHZICCJK-UHFFFAOYSA-N 0 0 392.455 3.336 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C#N)cc1 ZINC000008751869 209800379 /nfs/dbraw/zinc/80/03/79/209800379.db2.gz VTKCDZOQDGLCKQ-UHFFFAOYSA-N 0 0 397.500 3.182 20 30 GGEDRN CCOC(=O)CSCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000008486822 209783126 /nfs/dbraw/zinc/78/31/26/209783126.db2.gz BJKHOHZHEGMZEW-UHFFFAOYSA-N 0 0 389.452 3.340 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000007813852 209747293 /nfs/dbraw/zinc/74/72/93/209747293.db2.gz PBCDXWLZHGBKKU-UHFFFAOYSA-N 0 0 384.457 3.420 20 30 GGEDRN C=CCNc1nnc(SCc2noc([C@@H]3COc4ccccc4O3)n2)s1 ZINC000084638158 209235681 /nfs/dbraw/zinc/23/56/81/209235681.db2.gz ADXKHTXFWPGTSW-LBPRGKRZSA-N 0 0 389.462 3.324 20 30 GGEDRN C=CCNc1nnc(SCc2noc([C@H]3COc4ccccc4O3)n2)s1 ZINC000084638159 209234919 /nfs/dbraw/zinc/23/49/19/209234919.db2.gz ADXKHTXFWPGTSW-GFCCVEGCSA-N 0 0 389.462 3.324 20 30 GGEDRN CCOc1ccc(-n2c(SCC#CCOC)nnc2-c2cccnc2)cc1 ZINC000089267743 209235015 /nfs/dbraw/zinc/23/50/15/209235015.db2.gz ZUODNIYOGRWRSU-UHFFFAOYSA-N 0 0 380.473 3.470 20 30 GGEDRN Cc1nnc(-c2cccc(NCC(=O)Nc3ccc(C#N)c(Cl)c3)c2)n1C ZINC000359979360 209209928 /nfs/dbraw/zinc/20/99/28/209209928.db2.gz RWZITWDNGRXVDY-UHFFFAOYSA-N 0 0 380.839 3.366 20 30 GGEDRN Cc1nnc(-c2cccc(NCC(=O)Nc3cc(Cl)ccc3C#N)c2)n1C ZINC000359978183 209209718 /nfs/dbraw/zinc/20/97/18/209209718.db2.gz NPKFXUVESXWWPT-UHFFFAOYSA-N 0 0 380.839 3.366 20 30 GGEDRN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCC(C#N)CC3)cc2)c1C ZINC000109528895 209180432 /nfs/dbraw/zinc/18/04/32/209180432.db2.gz LNRWWADMGZRLBN-UHFFFAOYSA-N 0 0 397.500 3.480 20 30 GGEDRN C=CCn1c2nnc(SCC(=O)N[C@H](CC)CCC)n2c2ccccc2c1=O ZINC000195150859 212076150 /nfs/dbraw/zinc/07/61/50/212076150.db2.gz JEOSIQIIXUPYRE-CQSZACIVSA-N 0 0 399.520 3.017 20 30 GGEDRN C=CCn1c(SCC(=O)NCc2ccccc2C)nnc1-c1ccncc1 ZINC000008471067 212075138 /nfs/dbraw/zinc/07/51/38/212075138.db2.gz NPBIGTLRPPBPEF-UHFFFAOYSA-N 0 0 379.489 3.243 20 30 GGEDRN C=CCNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(OCC)cc1 ZINC000006784139 212070563 /nfs/dbraw/zinc/07/05/63/212070563.db2.gz JQPJWNCZCZQHJP-UHFFFAOYSA-N 0 0 395.488 3.122 20 30 GGEDRN N#Cc1cccc(OCC(=O)Nc2ccccc2I)c1 ZINC000006400899 212070165 /nfs/dbraw/zinc/07/01/65/212070165.db2.gz LJXIXEMMUBDYAC-UHFFFAOYSA-N 0 0 378.169 3.180 20 30 GGEDRN Cc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000007129442 212071921 /nfs/dbraw/zinc/07/19/21/212071921.db2.gz XXAFNWLRUQZDFY-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/17/11/97/209171197.db2.gz SPWHFKQAVQUREE-OAHLLOKOSA-N 0 0 383.473 3.231 20 30 GGEDRN CNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1 ZINC000012860099 209162821 /nfs/dbraw/zinc/16/28/21/209162821.db2.gz LTTGATYGPXBFNK-UHFFFAOYSA-N 0 0 396.493 3.308 20 30 GGEDRN C=CCNC(=O)[C@@H](C)Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1 ZINC000016927691 209166420 /nfs/dbraw/zinc/16/64/20/209166420.db2.gz PUFHTIYGAZNXMA-CHWSQXEVSA-N 0 0 393.944 3.326 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)c1 ZINC000108264120 209164836 /nfs/dbraw/zinc/16/48/36/209164836.db2.gz RXXCGHJWBMBPAK-IPELMVKDSA-N 0 0 376.522 3.192 20 30 GGEDRN O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(C#Cc2ccccc2)c1 ZINC000012755173 209162686 /nfs/dbraw/zinc/16/26/86/209162686.db2.gz UZQSAJYHPLSBKQ-UHFFFAOYSA-N 0 0 379.419 3.435 20 30 GGEDRN C=CCn1c2nnc(SCc3nccn3C(F)F)n2c2ccccc2c1=O ZINC000009114995 209162219 /nfs/dbraw/zinc/16/22/19/209162219.db2.gz CSGYGZIGADIITA-UHFFFAOYSA-N 0 0 388.403 3.114 20 30 GGEDRN Cc1ccc(S(=O)(=O)N(C)Cc2cccc(C#N)c2)c(Br)c1 ZINC000030521955 211930264 /nfs/dbraw/zinc/93/02/64/211930264.db2.gz IQNVEQNAOLIUOG-UHFFFAOYSA-N 0 0 379.279 3.450 20 30 GGEDRN C=CCN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)c1ccccc1 ZINC000007328202 209145404 /nfs/dbraw/zinc/14/54/04/209145404.db2.gz TYJFFATWQNXWEY-UHFFFAOYSA-N 0 0 398.260 3.378 20 30 GGEDRN C=CCNC(=O)[C@H](C)Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 ZINC000007190154 209142870 /nfs/dbraw/zinc/14/28/70/209142870.db2.gz JLODNFXWDOACKI-ZDUSSCGKSA-N 0 0 391.928 3.304 20 30 GGEDRN C=CCn1c(SC[C@H](O)COc2ccccc2F)nnc1-c1ccncc1 ZINC000007198986 209142610 /nfs/dbraw/zinc/14/26/10/209142610.db2.gz IJOOZQPMVMGTBP-OAHLLOKOSA-N 0 0 386.452 3.197 20 30 GGEDRN C=CCn1c(SCC(=O)NCC(F)(F)F)nc2sc(C)c(C)c2c1=O ZINC000003470435 209138659 /nfs/dbraw/zinc/13/86/59/209138659.db2.gz LZYKTUDQGNEZED-UHFFFAOYSA-N 0 0 391.440 3.031 20 30 GGEDRN Cc1cc(C(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)c(C)n1C1CC1 ZINC000095939066 211283917 /nfs/dbraw/zinc/28/39/17/211283917.db2.gz BESCUYBFAFACBK-UHFFFAOYSA-N 0 0 376.504 3.312 20 30 GGEDRN N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccn(-c4cccc(F)c4)n3)n2)c1 ZINC000089780865 211183007 /nfs/dbraw/zinc/18/30/07/211183007.db2.gz FSOKYNHBDYPVTH-UHFFFAOYSA-N 0 0 386.390 3.203 20 30 GGEDRN CC[C@@H](C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)N1CCCC1=O ZINC000084718763 211174230 /nfs/dbraw/zinc/17/42/30/211174230.db2.gz RCFLNZINCDZNDR-SFHVURJKSA-N 0 0 378.432 3.394 20 30 GGEDRN Cc1oc(NC(=O)CN2CCN(c3nc4ccccc4s3)CC2)c(C#N)c1C ZINC000084061161 211165215 /nfs/dbraw/zinc/16/52/15/211165215.db2.gz MODWQBUVQLATQR-UHFFFAOYSA-N 0 0 395.488 3.139 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)c2nnc(-c3ccccc3F)n2C2CC2)cc1 ZINC000079024177 211153571 /nfs/dbraw/zinc/15/35/71/211153571.db2.gz AEAOCIQMQOQUFA-UHFFFAOYSA-N 0 0 382.420 3.265 20 30 GGEDRN Cc1ccc([C@H]2OCCC[C@H]2NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 ZINC000072307248 211087328 /nfs/dbraw/zinc/08/73/28/211087328.db2.gz ASLVVDNTQJXGRJ-IFMALSPDSA-N 0 0 393.487 3.141 20 30 GGEDRN 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CC(C)Cn1nnnc1SCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000011498628 564263656 /nfs/dbraw/zinc/26/36/56/564263656.db2.gz BQQHUADQIBDUED-UHFFFAOYSA-N 0 0 378.889 3.021 20 30 GGEDRN COc1cc(OC)cc([C@H](O)CNc2ccc(C#N)cc2Br)c1 ZINC000119296862 564264266 /nfs/dbraw/zinc/26/42/66/564264266.db2.gz CGSLBIUZENGEIP-QGZVFWFLSA-N 0 0 377.238 3.483 20 30 GGEDRN N#CCCN(CCC#N)C(=O)CSc1nnc(-c2ccc(Cl)s2)o1 ZINC000012248989 564267347 /nfs/dbraw/zinc/26/73/47/564267347.db2.gz NXKYSUYRONKOKI-UHFFFAOYSA-N 0 0 381.870 3.200 20 30 GGEDRN C[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)Nc1ncc(Cl)cc1Cl ZINC000119397381 564269092 /nfs/dbraw/zinc/26/90/92/564269092.db2.gz MEEJJRZEMWLBCF-ZETCQYMHSA-N 0 0 393.259 3.228 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000119573083 564277097 /nfs/dbraw/zinc/27/70/97/564277097.db2.gz KZVYYYJTGSXMCQ-UHFFFAOYSA-N 0 0 379.279 3.283 20 30 GGEDRN C[C@H](c1cccc(Cl)c1)S(=O)(=O)C[C@H](O)COc1ccc(C#N)cc1 ZINC000119611022 564278781 /nfs/dbraw/zinc/27/87/81/564278781.db2.gz 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COC(=O)C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000016137729 564292369 /nfs/dbraw/zinc/29/23/69/564292369.db2.gz IGWMNOGAZQEPMM-MRXNPFEDSA-N 0 0 387.233 3.355 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000016149355 564292390 /nfs/dbraw/zinc/29/23/90/564292390.db2.gz FKQLVJJOZNDTLX-LJQANCHMSA-N 0 0 398.304 3.401 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000016148834 564292422 /nfs/dbraw/zinc/29/24/22/564292422.db2.gz FNXZAIHKVIDGNC-GOSISDBHSA-N 0 0 384.277 3.472 20 30 GGEDRN C=CCNC(=O)NC(=O)CSc1nnc(Nc2cccc(Cl)c2C)s1 ZINC000016323755 564292966 /nfs/dbraw/zinc/29/29/66/564292966.db2.gz BCHALVUFJRVULB-UHFFFAOYSA-N 0 0 397.913 3.347 20 30 GGEDRN N#Cc1ccsc1NC(=O)COc1ccc(I)cc1 ZINC000016658566 564295256 /nfs/dbraw/zinc/29/52/56/564295256.db2.gz LZSWORRHSSNUTC-UHFFFAOYSA-N 0 0 384.198 3.242 20 30 GGEDRN C=CCn1c(S[C@H](C)C(=O)NCCC)nc2sc3c(c2c1=O)CCC3 ZINC000016715661 564296172 /nfs/dbraw/zinc/29/61/72/564296172.db2.gz VUTNIGUWBBWHSY-LLVKDONJSA-N 0 0 377.535 3.140 20 30 GGEDRN N#CCc1ccc(NC(=O)COc2cccc(I)c2)cc1 ZINC000020064815 564304939 /nfs/dbraw/zinc/30/49/39/564304939.db2.gz QCEBKWOCMLUPNO-UHFFFAOYSA-N 0 0 392.196 3.375 20 30 GGEDRN C=CCN(C(=O)Nc1ccc(OCCC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000120136292 564305933 /nfs/dbraw/zinc/30/59/33/564305933.db2.gz AUAGEHDLJYWKJE-CQSZACIVSA-N 0 0 386.901 3.336 20 30 GGEDRN N#Cc1ccc(NCCS(=O)(=O)c2ccc(F)cc2)c(Br)c1 ZINC000120254792 564311888 /nfs/dbraw/zinc/31/18/88/564311888.db2.gz SNRIDXNYJDLHFJ-UHFFFAOYSA-N 0 0 383.242 3.346 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cccc(Cl)c2)c1 ZINC000021916470 564313028 /nfs/dbraw/zinc/31/30/28/564313028.db2.gz IVDJUKSTFJIBAN-UHFFFAOYSA-N 0 0 378.881 3.077 20 30 GGEDRN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2ccc(C#N)cc2Br)C1 ZINC000120300225 564313766 /nfs/dbraw/zinc/31/37/66/564313766.db2.gz LCZAAPROKIAQMT-CJNGLKHVSA-N 0 0 375.270 3.004 20 30 GGEDRN C=CCN(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000120315920 564314965 /nfs/dbraw/zinc/31/49/65/564314965.db2.gz ANACWMUIFWMEGK-NSHDSACASA-N 0 0 380.363 3.052 20 30 GGEDRN C=CCNc1nnc(S[C@H](C)C(=O)Nc2ccc(OC)cc2OC)s1 ZINC000022346854 564316048 /nfs/dbraw/zinc/31/60/48/564316048.db2.gz LYZSXTVWCXPFOF-SNVBAGLBSA-N 0 0 380.495 3.273 20 30 GGEDRN C[C@@H]1CN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)C[C@H](C)O1 ZINC000022300550 564316180 /nfs/dbraw/zinc/31/61/80/564316180.db2.gz ZPESKBMYACXZIG-AOOOYVTPSA-N 0 0 382.467 3.358 20 30 GGEDRN C=CCNc1nnc(S[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)s1 ZINC000022346966 564316607 /nfs/dbraw/zinc/31/66/07/564316607.db2.gz HIGCGFLUFHGDNG-WCQYABFASA-N 0 0 376.507 3.257 20 30 GGEDRN C=CCNc1nnc(S[C@@H](C)C(=O)NCCOc2cccc(C)c2)s1 ZINC000022346989 564316659 /nfs/dbraw/zinc/31/66/59/564316659.db2.gz IAQMRXHJGSACII-ZDUSSCGKSA-N 0 0 378.523 3.120 20 30 GGEDRN O=C(Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1)c1ccsc1 ZINC000022423569 564317203 /nfs/dbraw/zinc/31/72/03/564317203.db2.gz PMCIBDNKONOVOH-UHFFFAOYSA-N 0 0 377.491 3.251 20 30 GGEDRN N#CCCN(CCC#N)C(=O)CSc1nnc(NC2CCCCC2)s1 ZINC000022531971 564317660 /nfs/dbraw/zinc/31/76/60/564317660.db2.gz PLGSELPYGHSPLP-UHFFFAOYSA-N 0 0 378.527 3.031 20 30 GGEDRN Cc1c(I)cccc1C(=O)NCc1cccc(C#N)c1 ZINC000120420645 564319126 /nfs/dbraw/zinc/31/91/26/564319126.db2.gz JGYXUZRYXMPPAP-UHFFFAOYSA-N 0 0 376.197 3.401 20 30 GGEDRN N#Cc1cccc(CNC(=O)c2cc(F)c(F)cc2I)c1 ZINC000120422494 564320076 /nfs/dbraw/zinc/32/00/76/564320076.db2.gz UPVPJGDZVNHUKU-UHFFFAOYSA-N 0 0 398.150 3.371 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1cc(Br)ccc1F)c1ccc(C#N)cc1 ZINC000120461997 564320917 /nfs/dbraw/zinc/32/09/17/564320917.db2.gz XBGXFNAYLIJJHO-SNVBAGLBSA-N 0 0 390.212 3.276 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CCSc3ccc(F)cc32)c1 ZINC000120544812 564324796 /nfs/dbraw/zinc/32/47/96/564324796.db2.gz WRUODHGXZYEXCC-INIZCTEOSA-N 0 0 380.441 3.493 20 30 GGEDRN CS(=O)(=O)N(CCOc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000023617304 564326314 /nfs/dbraw/zinc/32/63/14/564326314.db2.gz LFUQELPMACKZGL-UHFFFAOYSA-N 0 0 395.278 3.166 20 30 GGEDRN Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(Br)c1 ZINC000120565954 564327095 /nfs/dbraw/zinc/32/70/95/564327095.db2.gz RIASOIGGIOKIGB-UHFFFAOYSA-N 0 0 396.222 3.338 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000024051554 564328476 /nfs/dbraw/zinc/32/84/76/564328476.db2.gz FTHCMIDDVSLHPL-UHFFFAOYSA-N 0 0 398.893 3.223 20 30 GGEDRN C=C(C)CN(CC)C(=O)CSCc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000024458175 564330356 /nfs/dbraw/zinc/33/03/56/564330356.db2.gz ZZSGOAIOBYWANN-UHFFFAOYSA-N 0 0 377.535 3.131 20 30 GGEDRN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)s1 ZINC000120686424 564332357 /nfs/dbraw/zinc/33/23/57/564332357.db2.gz MKWXVHGYGNVTSF-AWEZNQCLSA-N 0 0 377.447 3.362 20 30 GGEDRN CN(Cc1ccc(Br)o1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000120714258 564333664 /nfs/dbraw/zinc/33/36/64/564333664.db2.gz NZXSBKWTFZXKOS-UHFFFAOYSA-N 0 0 387.230 3.015 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)c1ccccc1I ZINC000025100173 564335924 /nfs/dbraw/zinc/33/59/24/564335924.db2.gz FGLPTPVRGAGSIA-UHFFFAOYSA-N 0 0 376.197 3.435 20 30 GGEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCSc1ccccc1Cl ZINC000120836768 564339693 /nfs/dbraw/zinc/33/96/93/564339693.db2.gz BDEGWOVNWHZOPQ-UHFFFAOYSA-N 0 0 377.901 3.090 20 30 GGEDRN CN1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)c2cc(F)ccc21 ZINC000120850974 564340020 /nfs/dbraw/zinc/34/00/20/564340020.db2.gz RVVOALMVQPNYIT-UHFFFAOYSA-N 0 0 379.844 3.386 20 30 GGEDRN Cc1nc(C)c(C#N)c(SCC(=O)Nc2ccc(Br)cc2)n1 ZINC000025959337 564342855 /nfs/dbraw/zinc/34/28/55/564342855.db2.gz DTFIEIZTGTUZJW-UHFFFAOYSA-N 0 0 377.267 3.458 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc(Br)s2)CC1 ZINC000026013895 564343810 /nfs/dbraw/zinc/34/38/10/564343810.db2.gz ZMDQPXVVSKWGEF-UHFFFAOYSA-N 0 0 394.269 3.484 20 30 GGEDRN N#CC1(NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CCCCC1 ZINC000120941850 564343802 /nfs/dbraw/zinc/34/38/02/564343802.db2.gz BNOWDGHRXNTIMV-CYBMUJFWSA-N 0 0 390.281 3.145 20 30 GGEDRN C=CCNC(=O)NC(=O)[C@H](C)Sc1nccn1-c1cccc(Cl)c1C ZINC000026539295 564347509 /nfs/dbraw/zinc/34/75/09/564347509.db2.gz PSODPUXTLPGNCY-LBPRGKRZSA-N 0 0 378.885 3.327 20 30 GGEDRN CNc1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)s1 ZINC000026828831 564349671 /nfs/dbraw/zinc/34/96/71/564349671.db2.gz CQMPRWUAASYSRA-NSHDSACASA-N 0 0 377.495 3.016 20 30 GGEDRN CNc1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)s1 ZINC000026828835 564349911 /nfs/dbraw/zinc/34/99/11/564349911.db2.gz CQMPRWUAASYSRA-LLVKDONJSA-N 0 0 377.495 3.016 20 30 GGEDRN N#Cc1ccccc1NC(=O)COc1cccc(I)c1 ZINC000027251062 564352581 /nfs/dbraw/zinc/35/25/81/564352581.db2.gz PULFIPDZBZVVCS-UHFFFAOYSA-N 0 0 378.169 3.180 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000121118505 564354128 /nfs/dbraw/zinc/35/41/28/564354128.db2.gz UYVNCPMVDGOECB-UHFFFAOYSA-N 0 0 390.212 3.057 20 30 GGEDRN CSCc1noc(CCC(=O)N[C@H](C#N)c2cccc(Br)c2)n1 ZINC000121189694 564357934 /nfs/dbraw/zinc/35/79/34/564357934.db2.gz BJQMHYFAYOZECB-GFCCVEGCSA-N 0 0 395.282 3.009 20 30 GGEDRN C=CCNC(=O)[C@@H](C)Sc1nnc(Nc2cccc(NC(C)=O)c2)s1 ZINC000028968786 564365881 /nfs/dbraw/zinc/36/58/81/564365881.db2.gz KHUQRMGTTQAVIJ-SNVBAGLBSA-N 0 0 377.495 3.023 20 30 GGEDRN Cn1cc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc(Br)c1=O ZINC000121379861 564366547 /nfs/dbraw/zinc/36/65/47/564366547.db2.gz RTUOINKZCJSOEO-HNNXBMFYSA-N 0 0 389.253 3.314 20 30 GGEDRN CS(=O)(=O)Nc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1Cl ZINC000029314005 564368721 /nfs/dbraw/zinc/36/87/21/564368721.db2.gz CBBXJISNPHYQCA-UHFFFAOYSA-N 0 0 377.853 3.154 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000029334809 564369301 /nfs/dbraw/zinc/36/93/01/564369301.db2.gz XNOBDEKTIUSKMG-UHFFFAOYSA-N 0 0 398.893 3.109 20 30 GGEDRN N#CCc1ccc(NC(=O)CNc2cccc(I)c2)cc1 ZINC000029396900 564369765 /nfs/dbraw/zinc/36/97/65/564369765.db2.gz VWZVSIIHXQEFMN-UHFFFAOYSA-N 0 0 391.212 3.408 20 30 GGEDRN COC(=O)c1ccc(OCC(=O)Nc2cccc(C#N)c2)c(Br)c1 ZINC000029346904 564370130 /nfs/dbraw/zinc/37/01/30/564370130.db2.gz BGJPWQHCMNWFNC-UHFFFAOYSA-N 0 0 389.205 3.125 20 30 GGEDRN N#Cc1ccnc(N2CCN(CCOc3ccc(Cl)cc3Cl)CC2)c1 ZINC000029444827 564370790 /nfs/dbraw/zinc/37/07/90/564370790.db2.gz NSTAJRSESFQDSE-UHFFFAOYSA-N 0 0 377.275 3.461 20 30 GGEDRN N#Cc1ccnc(N2CCN(Cc3ccc(F)cc3Br)CC2)c1 ZINC000029448596 564371115 /nfs/dbraw/zinc/37/11/15/564371115.db2.gz OCYDOHMZYPGQJC-UHFFFAOYSA-N 0 0 375.245 3.177 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2nc(SC)ncc2Cl)cc1 ZINC000029648332 564372180 /nfs/dbraw/zinc/37/21/80/564372180.db2.gz AJCKYBZPRYPMOJ-UHFFFAOYSA-N 0 0 377.857 3.412 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc2c([nH]c1=O)CCCC2=O ZINC000029925087 564375217 /nfs/dbraw/zinc/37/52/17/564375217.db2.gz LDTDYUXQKBNKFA-UHFFFAOYSA-N 0 0 376.865 3.437 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)c3ccc(Br)o3)CC2)nc1 ZINC000121607675 564378021 /nfs/dbraw/zinc/37/80/21/564378021.db2.gz YPIGIOFKVDNMHB-UHFFFAOYSA-N 0 0 390.237 3.429 20 30 GGEDRN C[C@@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 ZINC000121681631 564381501 /nfs/dbraw/zinc/38/15/01/564381501.db2.gz FDGMZBGTMUPAIG-LLVKDONJSA-N 0 0 376.243 3.472 20 30 GGEDRN CNc1snc(C)c1C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000030570823 564382600 /nfs/dbraw/zinc/38/26/00/564382600.db2.gz XEDNTEGJDBNUBX-UWVGGRQHSA-N 0 0 381.527 3.195 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccncc1 ZINC000031224499 564387316 /nfs/dbraw/zinc/38/73/16/564387316.db2.gz AELWUBWAGLIXEH-UHFFFAOYSA-N 0 0 376.210 3.132 20 30 GGEDRN N#C[C@@]1(NC(=O)c2ccc(Cl)c(I)c2)CCSC1 ZINC000121849729 564389425 /nfs/dbraw/zinc/38/94/25/564389425.db2.gz FVCCFXMPBOIELC-LBPRGKRZSA-N 0 0 392.649 3.074 20 30 GGEDRN Cc1cc(NC(=O)C2CCN(c3ccc(Br)cc3C#N)CC2)no1 ZINC000121893261 564391722 /nfs/dbraw/zinc/39/17/22/564391722.db2.gz MCAWTTSWSPZIPX-UHFFFAOYSA-N 0 0 389.253 3.472 20 30 GGEDRN C=CCOc1ccc(C(=O)Nc2nnc(SCC(=O)OCC)s2)cc1 ZINC000031908635 564394904 /nfs/dbraw/zinc/39/49/04/564394904.db2.gz CGCJLONUOZQTKB-UHFFFAOYSA-N 0 0 379.463 3.010 20 30 GGEDRN Cc1ccn(Cc2cc3c(cc2Br)OCCCO3)c(=O)c1C#N ZINC000122073581 564399317 /nfs/dbraw/zinc/39/93/17/564399317.db2.gz XOOKVTVFMISBRN-UHFFFAOYSA-N 0 0 375.222 3.001 20 30 GGEDRN CC(=O)Nc1ccc(O)c(C(=O)N[C@H](C#N)c2cccc(Br)c2)c1 ZINC000122096734 564400188 /nfs/dbraw/zinc/40/01/88/564400188.db2.gz PRRAHGYJPFIXOL-OAHLLOKOSA-N 0 0 388.221 3.108 20 30 GGEDRN CC(=O)N[C@H](CC(=O)N[C@@H](C#N)C(C)(C)C)c1ccc(Br)cc1 ZINC000122144127 564401726 /nfs/dbraw/zinc/40/17/26/564401726.db2.gz KRWHSUBBGMXBGQ-CABCVRRESA-N 0 0 380.286 3.071 20 30 GGEDRN C[C@H](Cc1ccc(F)c(Br)c1)NS(=O)(=O)CCCCC#N ZINC000122163288 564402326 /nfs/dbraw/zinc/40/23/26/564402326.db2.gz PUELLYIAISLWDF-LLVKDONJSA-N 0 0 377.279 3.132 20 30 GGEDRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000122172179 564403170 /nfs/dbraw/zinc/40/31/70/564403170.db2.gz SOAXNYVYPGQRME-CJNGLKHVSA-N 0 0 382.551 3.405 20 30 GGEDRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000122171959 564403186 /nfs/dbraw/zinc/40/31/86/564403186.db2.gz SOAXNYVYPGQRME-BBRMVZONSA-N 0 0 382.551 3.405 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(Br)cc1F ZINC000032614771 564403825 /nfs/dbraw/zinc/40/38/25/564403825.db2.gz MGPVNNAXGWSUBV-UHFFFAOYSA-N 0 0 377.213 3.497 20 30 GGEDRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1ccn(CCC#N)n1 ZINC000122293078 564408182 /nfs/dbraw/zinc/40/81/82/564408182.db2.gz XBWLTCRUFPTGND-UHFFFAOYSA-N 0 0 399.252 3.306 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000122308291 564409195 /nfs/dbraw/zinc/40/91/95/564409195.db2.gz UBBISLOJEBAKKF-INIZCTEOSA-N 0 0 385.961 3.456 20 30 GGEDRN COc1ccc(Br)cc1CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000122338369 564409640 /nfs/dbraw/zinc/40/96/40/564409640.db2.gz JCEFYNNSSZNPCZ-UHFFFAOYSA-N 0 0 380.263 3.444 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC1CCCC1 ZINC000033172829 564410656 /nfs/dbraw/zinc/41/06/56/564410656.db2.gz CEHKQBNEUFHUIT-UHFFFAOYSA-N 0 0 381.270 3.405 20 30 GGEDRN CC(C)(C)[C@H](C#N)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000122365866 564410820 /nfs/dbraw/zinc/41/08/20/564410820.db2.gz MTZVFLDFVYILRG-ZDUSSCGKSA-N 0 0 375.523 3.488 20 30 GGEDRN CC(C)(C)[C@@H](C#N)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000122365656 564410926 /nfs/dbraw/zinc/41/09/26/564410926.db2.gz MTZVFLDFVYILRG-CYBMUJFWSA-N 0 0 375.523 3.488 20 30 GGEDRN CC(C)(C)[C@@H](C#N)NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000122428996 564413828 /nfs/dbraw/zinc/41/38/28/564413828.db2.gz MMRIIOAPFSUPAM-CYBMUJFWSA-N 0 0 379.233 3.442 20 30 GGEDRN C=CCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)Nc1nccs1 ZINC000036654607 564418595 /nfs/dbraw/zinc/41/85/95/564418595.db2.gz RDGPFCYVORUCMW-UHFFFAOYSA-N 0 0 392.893 3.423 20 30 GGEDRN C=CCn1c(SCC(=O)Nc2sccc2C#N)nc2sccc2c1=O ZINC000036800088 564419740 /nfs/dbraw/zinc/41/97/40/564419740.db2.gz SNLKAJQQXZNHAU-UHFFFAOYSA-N 0 0 388.499 3.308 20 30 GGEDRN COc1ccc(Br)cc1CS(=O)(=O)Cc1ccccc1C#N ZINC000122619911 564420982 /nfs/dbraw/zinc/42/09/82/564420982.db2.gz QTTNDUDRLFVTGM-UHFFFAOYSA-N 0 0 380.263 3.444 20 30 GGEDRN CSc1ccc(/C=C/C(=O)c2c(C)nn(CCS(C)(=O)=O)c2C)cc1 ZINC000122619596 564421349 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LZYQLSMGYCJIPS-GFCCVEGCSA-N 0 0 384.343 3.483 20 30 GGEDRN C=C(C)CN(CC)C(=O)C[S@](=O)Cc1cc(Br)ccc1OC ZINC000125288004 564509465 /nfs/dbraw/zinc/50/94/65/564509465.db2.gz DSEKHDLMOLFTHT-QFIPXVFZSA-N 0 0 388.327 3.131 20 30 GGEDRN Cc1cc(I)ccc1NC(=O)COc1cccc(C#N)c1 ZINC000046894410 564510269 /nfs/dbraw/zinc/51/02/69/564510269.db2.gz SSVURJFTWRDRAS-UHFFFAOYSA-N 0 0 392.196 3.489 20 30 GGEDRN N#CCN(C(=O)Cc1cc2c(cc1Br)OCCO2)C1CCCC1 ZINC000125297494 564510334 /nfs/dbraw/zinc/51/03/34/564510334.db2.gz BYQHGXZJHOUEFJ-UHFFFAOYSA-N 0 0 379.254 3.058 20 30 GGEDRN CS(=O)(=O)c1ccc(OCCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000125343669 564512247 /nfs/dbraw/zinc/51/22/47/564512247.db2.gz GVZIEXIVTXXIIP-UHFFFAOYSA-N 0 0 378.837 3.023 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCSC[C@@H]2c2ccccc2)c(F)c1 ZINC000125446041 564514749 /nfs/dbraw/zinc/51/47/49/564514749.db2.gz HQKNYBVXTGIQKB-MRXNPFEDSA-N 0 0 380.441 3.315 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)c1cc(F)c(F)cc1I ZINC000125473417 564515915 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ZINC000125668294 564522450 /nfs/dbraw/zinc/52/24/50/564522450.db2.gz XVGUSNONGGGBMG-QGZVFWFLSA-N 0 0 375.266 3.495 20 30 GGEDRN Cc1cc(Br)ccc1NC(=O)CON=C1CCC2(CC1)OCCO2 ZINC000047538899 564522528 /nfs/dbraw/zinc/52/25/28/564522528.db2.gz FMDZBHXCUSSVSL-UHFFFAOYSA-N 0 0 397.269 3.386 20 30 GGEDRN Cc1cc(NC(=O)CON=C2CCC3(CC2)OCCO3)ccc1Br ZINC000047538962 564522855 /nfs/dbraw/zinc/52/28/55/564522855.db2.gz ROGXFQVHYQHDQB-UHFFFAOYSA-N 0 0 397.269 3.386 20 30 GGEDRN CCOCCCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000047782883 564527241 /nfs/dbraw/zinc/52/72/41/564527241.db2.gz WARFKGCLCVSXFW-UHFFFAOYSA-N 0 0 377.495 3.250 20 30 GGEDRN CN(CC(=O)Nc1sccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911307 564527856 /nfs/dbraw/zinc/52/78/56/564527856.db2.gz SOCYEXHCNRHSEX-HOCLYGCPSA-N 0 0 396.299 3.455 20 30 GGEDRN CC[C@](C)(C#N)NC(=O)c1cc(Cl)c(I)cc1OC ZINC000125842549 564529175 /nfs/dbraw/zinc/52/91/75/564529175.db2.gz KMRJBAZYVSSOOM-CYBMUJFWSA-N 0 0 392.624 3.375 20 30 GGEDRN CCC(=O)c1cc(Br)ccc1OCC(=O)N(CC)C[C@H](C)C#N ZINC000125942785 564531791 /nfs/dbraw/zinc/53/17/91/564531791.db2.gz LLORBZZLFDOXSY-GFCCVEGCSA-N 0 0 381.270 3.429 20 30 GGEDRN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1cccc(C#N)c1 ZINC000048092949 564531970 /nfs/dbraw/zinc/53/19/70/564531970.db2.gz IAFFELVFLFBHKJ-LLVKDONJSA-N 0 0 376.243 3.300 20 30 GGEDRN C=CCOc1c(Br)cc(CN2CCC3(CC2)OCCO3)cc1OC ZINC000126105003 564536656 /nfs/dbraw/zinc/53/66/56/564536656.db2.gz SWYUSGAFYNXKAX-UHFFFAOYSA-N 0 0 398.297 3.361 20 30 GGEDRN C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000126171564 564539739 /nfs/dbraw/zinc/53/97/39/564539739.db2.gz WTPZCRJLTWKNAJ-NSHDSACASA-N 0 0 376.507 3.325 20 30 GGEDRN N#CCCN(Cc1ccco1)S(=O)(=O)c1sccc1Br ZINC000048444181 564540223 /nfs/dbraw/zinc/54/02/23/564540223.db2.gz TWRJVKNBPHSENF-UHFFFAOYSA-N 0 0 375.269 3.208 20 30 GGEDRN C[C@](C#N)(NC(=O)CN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000126211898 564541128 /nfs/dbraw/zinc/54/11/28/564541128.db2.gz 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564554341 /nfs/dbraw/zinc/55/43/41/564554341.db2.gz DRPWCRAKNKHCEO-UHFFFAOYSA-N 0 0 377.447 3.438 20 30 GGEDRN CSCc1nnc(SCCC(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000126611452 564555210 /nfs/dbraw/zinc/55/52/10/564555210.db2.gz AUNRAYGQFQTYIS-UHFFFAOYSA-N 0 0 380.520 3.475 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000049994758 564555574 /nfs/dbraw/zinc/55/55/74/564555574.db2.gz NFHBYGACFNDRLS-UHFFFAOYSA-N 0 0 378.215 3.242 20 30 GGEDRN C=C(C)CNC(=O)C(=O)Nc1ccnc(Oc2ccccc2Br)c1 ZINC000126724531 564560212 /nfs/dbraw/zinc/56/02/12/564560212.db2.gz WMZNMVKOCAHMDZ-UHFFFAOYSA-N 0 0 390.237 3.267 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)NCc1csc(-c2ccco2)n1 ZINC000126839568 564564675 /nfs/dbraw/zinc/56/46/75/564564675.db2.gz RLUCGGNPEUYLFF-UHFFFAOYSA-N 0 0 379.850 3.407 20 30 GGEDRN CC[C@@H](SC)C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000126869635 564565650 /nfs/dbraw/zinc/56/56/50/564565650.db2.gz BQSMTEKVIRRCSS-JKSUJKDBSA-N 0 0 396.354 3.300 20 30 GGEDRN CC[C@@H](SC)C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000126869999 564565964 /nfs/dbraw/zinc/56/59/64/564565964.db2.gz BQSMTEKVIRRCSS-HZPDHXFCSA-N 0 0 396.354 3.300 20 30 GGEDRN CCN(CC#N)S(=O)(=O)c1cc(Br)c(C)cc1Br ZINC000126908550 564567349 /nfs/dbraw/zinc/56/73/49/564567349.db2.gz PXHCUQLPSKCMPQ-UHFFFAOYSA-N 0 0 396.104 3.054 20 30 GGEDRN Cc1[nH]ccc1C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000126906441 564567816 /nfs/dbraw/zinc/56/78/16/564567816.db2.gz WTYJMQLKKYFYSL-KRWDZBQOSA-N 0 0 387.281 3.108 20 30 GGEDRN N#Cc1ccsc1C(=O)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000052034300 564568833 /nfs/dbraw/zinc/56/88/33/564568833.db2.gz CCIYSZGZHUPMBV-UHFFFAOYSA-N 0 0 375.881 3.110 20 30 GGEDRN CC(=O)NCc1ccc(-c2csc(NC(=O)c3sccc3C#N)n2)s1 ZINC000052029065 564568921 /nfs/dbraw/zinc/56/89/21/564568921.db2.gz XYCZKFAYYJSVLY-UHFFFAOYSA-N 0 0 388.499 3.115 20 30 GGEDRN N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CC(F)(F)F)CC1 ZINC000126971083 564569588 /nfs/dbraw/zinc/56/95/88/564569588.db2.gz BWUBBCCYJPTYID-CYBMUJFWSA-N 0 0 390.203 3.110 20 30 GGEDRN C[C@@H](Sc1nnc(-c2ccc(Br)cc2)o1)C(=O)N(C)CCC#N ZINC000052431901 564571524 /nfs/dbraw/zinc/57/15/24/564571524.db2.gz UPQSXRPHXQFIRC-SNVBAGLBSA-N 0 0 395.282 3.352 20 30 GGEDRN N#Cc1ccc(N2CCN(c3ncc(Cl)cc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000052431696 564571644 /nfs/dbraw/zinc/57/16/44/564571644.db2.gz YDNMDHNEKOVQBP-UHFFFAOYSA-N 0 0 378.219 3.495 20 30 GGEDRN N#Cc1c(Cl)nsc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000052427959 564571663 /nfs/dbraw/zinc/57/16/63/564571663.db2.gz KHEPHTIIPHHWLQ-UHFFFAOYSA-N 0 0 378.860 3.340 20 30 GGEDRN C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)N(C)CCC#N ZINC000052428792 564571705 /nfs/dbraw/zinc/57/17/05/564571705.db2.gz CHEOSAIIVWRTKK-LLVKDONJSA-N 0 0 380.857 3.155 20 30 GGEDRN C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N(C)CCC#N ZINC000052439942 564572670 /nfs/dbraw/zinc/57/26/70/564572670.db2.gz WKSBWHSZSWIONB-MRVPVSSYSA-N 0 0 391.806 3.254 20 30 GGEDRN CC[C@H](C#N)Sc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)o1 ZINC000127094642 564573391 /nfs/dbraw/zinc/57/33/91/564573391.db2.gz HJLSSRSTJSHIQP-CYBMUJFWSA-N 0 0 380.495 3.161 20 30 GGEDRN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)c1ccc(Br)o1 ZINC000127114768 564573950 /nfs/dbraw/zinc/57/39/50/564573950.db2.gz SFVVTFDLARBUGS-UHFFFAOYSA-N 0 0 396.628 3.278 20 30 GGEDRN N#CC1(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)CCCC1 ZINC000052738643 564576034 /nfs/dbraw/zinc/57/60/34/564576034.db2.gz DEZMOXWHUTYHEF-UHFFFAOYSA-N 0 0 382.327 3.239 20 30 GGEDRN CC[C@](C)(C#N)NC(=O)CCSCC(=O)Nc1ccc(Br)cc1 ZINC000127194162 564577066 /nfs/dbraw/zinc/57/70/66/564577066.db2.gz UEISHGJAPOZIOO-MRXNPFEDSA-N 0 0 398.326 3.319 20 30 GGEDRN CN(CCC1CCOCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000127221876 564577097 /nfs/dbraw/zinc/57/70/97/564577097.db2.gz NLAAUNQLHUCSPC-UHFFFAOYSA-N 0 0 376.400 3.014 20 30 GGEDRN C=C(C)CN(CC)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000052819404 564577374 /nfs/dbraw/zinc/57/73/74/564577374.db2.gz NIJADCFPQGXPEG-UHFFFAOYSA-N 0 0 378.519 3.265 20 30 GGEDRN C=CCn1nnnc1SCc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000052894845 564578421 /nfs/dbraw/zinc/57/84/21/564578421.db2.gz FCHRRTMXVWNGRS-UHFFFAOYSA-N 0 0 375.479 3.292 20 30 GGEDRN C=CCn1nnnc1SCc1csc(-c2cccc(OC)c2OC)n1 ZINC000052895171 564578444 /nfs/dbraw/zinc/57/84/44/564578444.db2.gz NTFNZUOLLLZRAB-UHFFFAOYSA-N 0 0 375.479 3.292 20 30 GGEDRN C=CCn1nnnc1SCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000052895325 564578582 /nfs/dbraw/zinc/57/85/82/564578582.db2.gz WZZISGNXGQHGTM-UHFFFAOYSA-N 0 0 377.779 3.262 20 30 GGEDRN C=CCn1nnnc1S[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000052910421 564578639 /nfs/dbraw/zinc/57/86/39/564578639.db2.gz OGZHKWVZAIYQQF-SNVBAGLBSA-N 0 0 382.287 3.049 20 30 GGEDRN C=CCn1nnnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000052895162 564578683 /nfs/dbraw/zinc/57/86/83/564578683.db2.gz INMSWRWIHINOLO-UHFFFAOYSA-N 0 0 377.779 3.262 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1ccoc1 ZINC000053040580 564580931 /nfs/dbraw/zinc/58/09/31/564580931.db2.gz IQIVLIKOLNOVBJ-UHFFFAOYSA-N 0 0 379.210 3.008 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C ZINC000053171193 564582087 /nfs/dbraw/zinc/58/20/87/564582087.db2.gz LXUQIWSWSLIMOT-GFCCVEGCSA-N 0 0 377.901 3.236 20 30 GGEDRN CCN(CCC#N)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1CC ZINC000053261144 564584381 /nfs/dbraw/zinc/58/43/81/564584381.db2.gz VJBCDHRMMWJTNU-UHFFFAOYSA-N 0 0 377.901 3.473 20 30 GGEDRN Cn1cc(Br)cc1C(=O)NCCSCc1ccccc1C#N ZINC000053285282 564585213 /nfs/dbraw/zinc/58/52/13/564585213.db2.gz NLGVPRYHQWYEAH-UHFFFAOYSA-N 0 0 378.295 3.322 20 30 GGEDRN C=CCn1c(C)nnc1SCC(=O)Nc1nc2c(cccc2OC)s1 ZINC000053423752 564588817 /nfs/dbraw/zinc/58/88/17/564588817.db2.gz SGUYZMHGOOOJJU-UHFFFAOYSA-N 0 0 375.479 3.122 20 30 GGEDRN N#C[C@H](NC(=O)CSCc1cccnc1)c1cccc(Br)c1 ZINC000127651786 564590578 /nfs/dbraw/zinc/59/05/78/564590578.db2.gz GFHDXONGIBCKGU-HNNXBMFYSA-N 0 0 376.279 3.458 20 30 GGEDRN C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000127660783 564591304 /nfs/dbraw/zinc/59/13/04/564591304.db2.gz ONKKNFIVWPKRIQ-BLLLJJGKSA-N 0 0 392.297 3.215 20 30 GGEDRN COCCOc1cccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 ZINC000127656054 564591344 /nfs/dbraw/zinc/59/13/44/564591344.db2.gz GVYPTGHRLQHNCU-KRWDZBQOSA-N 0 0 389.249 3.469 20 30 GGEDRN CCCC(=O)N1CCC(C(=O)N[C@@H](C#N)c2cccc(Br)c2)CC1 ZINC000127657958 564591446 /nfs/dbraw/zinc/59/14/46/564591446.db2.gz XDUHIZKOFWQFCV-INIZCTEOSA-N 0 0 392.297 3.169 20 30 GGEDRN N#C[C@H](NC(=O)c1cc(-c2cccnc2)on1)c1cccc(Br)c1 ZINC000127710410 564592624 /nfs/dbraw/zinc/59/26/24/564592624.db2.gz GZQHLJREEQOMED-HNNXBMFYSA-N 0 0 383.205 3.494 20 30 GGEDRN CC(C)C(=O)N1CCC(C(=O)N[C@@H](C#N)c2cccc(Br)c2)CC1 ZINC000127739782 564594292 /nfs/dbraw/zinc/59/42/92/564594292.db2.gz JPNGZMVWXSFHDQ-INIZCTEOSA-N 0 0 392.297 3.025 20 30 GGEDRN C[S@](=O)Cc1cccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)c1 ZINC000127774279 564595462 /nfs/dbraw/zinc/59/54/62/564595462.db2.gz BSYJHSATCKPTCA-WAIKUNEKSA-N 0 0 391.290 3.322 20 30 GGEDRN COc1ccc(OC)c(CC(=O)N[C@H](C#N)c2cccc(Br)c2)c1 ZINC000127782032 564595926 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CCS(=O)(=O)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000054138998 564599805 /nfs/dbraw/zinc/59/98/05/564599805.db2.gz VLFLHEXAAAGVNR-UHFFFAOYSA-N 0 0 378.837 3.377 20 30 GGEDRN N#Cc1ccc(CC(=O)Nc2ccc(F)cc2I)cc1 ZINC000127879102 564599868 /nfs/dbraw/zinc/59/98/68/564599868.db2.gz UUBMGOZMVCENDH-UHFFFAOYSA-N 0 0 380.160 3.483 20 30 GGEDRN CC[C@@H](CC#N)NS(=O)(=O)c1cc(Br)ccc1Br ZINC000054178348 564600223 /nfs/dbraw/zinc/60/02/23/564600223.db2.gz WFVXNWBKQFXVNB-VIFPVBQESA-N 0 0 396.104 3.182 20 30 GGEDRN CN(Cc1ccc(F)c(Br)c1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000054235395 564601320 /nfs/dbraw/zinc/60/13/20/564601320.db2.gz JYSWWVVLMHIJBX-UHFFFAOYSA-N 0 0 383.242 3.281 20 30 GGEDRN N#C[C@@H](NC(=O)c1ncn(-c2ccccc2)n1)c1cccc(Br)c1 ZINC000128049848 564605736 /nfs/dbraw/zinc/60/57/36/564605736.db2.gz UAAALAKLFHPRHO-OAHLLOKOSA-N 0 0 382.221 3.024 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000054683570 564608122 /nfs/dbraw/zinc/60/81/22/564608122.db2.gz OUMIJRPFFAVFJR-UHFFFAOYSA-N 0 0 376.503 3.116 20 30 GGEDRN Cc1c(C(=O)Nc2cccc(C#N)c2)nnn1-c1cccc(Br)c1 ZINC000054865080 564611246 /nfs/dbraw/zinc/61/12/46/564611246.db2.gz DKHPGXSMGPGAJF-UHFFFAOYSA-N 0 0 382.221 3.462 20 30 GGEDRN CCS[C@H](C)c1noc(CN(C)CCC(=O)Nc2sccc2C#N)n1 ZINC000128253646 564612665 /nfs/dbraw/zinc/61/26/65/564612665.db2.gz VVQASNLFEBJTPD-LLVKDONJSA-N 0 0 379.511 3.277 20 30 GGEDRN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CC2CCC2)CC1 ZINC000128270102 564613873 /nfs/dbraw/zinc/61/38/73/564613873.db2.gz HREFMNMDZNESRS-KRWDZBQOSA-N 0 0 376.298 3.348 20 30 GGEDRN C=CCn1c(N)nnc1SCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000128358863 564616240 /nfs/dbraw/zinc/61/62/40/564616240.db2.gz KRGNLZSQCJDZQT-UHFFFAOYSA-N 0 0 386.308 3.104 20 30 GGEDRN CC[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000128532199 564620955 /nfs/dbraw/zinc/62/09/55/564620955.db2.gz LFDKQXXFLRFBKV-HNNXBMFYSA-N 0 0 378.881 3.173 20 30 GGEDRN CCOC(=O)CN(C(=O)c1ccc(C#N)cn1)c1cc(Cl)cc(Cl)c1 ZINC000128538625 564621721 /nfs/dbraw/zinc/62/17/21/564621721.db2.gz WYADAPPHODTHSS-UHFFFAOYSA-N 0 0 378.215 3.470 20 30 GGEDRN Cc1cccc(I)c1C(=O)NCc1cccc(C#N)c1 ZINC000128597887 564622533 /nfs/dbraw/zinc/62/25/33/564622533.db2.gz DBLJBXFYORULKE-UHFFFAOYSA-N 0 0 376.197 3.401 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Br)c2)c1 ZINC000055546745 564623197 /nfs/dbraw/zinc/62/31/97/564623197.db2.gz HJBLMMQNGVAMDB-UHFFFAOYSA-N 0 0 395.278 3.166 20 30 GGEDRN N#Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)ccc1Cl ZINC000055578612 564624186 /nfs/dbraw/zinc/62/41/86/564624186.db2.gz QUNRTBWCALLZPR-UHFFFAOYSA-N 0 0 375.837 3.287 20 30 GGEDRN N#C[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1cccc(Br)c1 ZINC000128842107 564630955 /nfs/dbraw/zinc/63/09/55/564630955.db2.gz ASOLGCBDKOSRSP-OAHLLOKOSA-N 0 0 397.232 3.335 20 30 GGEDRN C[C@@H](NC(=O)C1(C#N)CCCC1)c1cc2c(cc1Br)OCCO2 ZINC000055784457 564631309 /nfs/dbraw/zinc/63/13/09/564631309.db2.gz UFAFDUUIIHIFND-LLVKDONJSA-N 0 0 379.254 3.481 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)NCc1cc(F)ccc1Br ZINC000055817597 564632038 /nfs/dbraw/zinc/63/20/38/564632038.db2.gz QGTVDHQMRNATMN-UHFFFAOYSA-N 0 0 393.212 3.164 20 30 GGEDRN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000128972087 564634826 /nfs/dbraw/zinc/63/48/26/564634826.db2.gz XFOHKQPCOGSWKI-UGSOOPFHSA-N 0 0 378.881 3.407 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2c2ccsc2)c1 ZINC000056062859 564638809 /nfs/dbraw/zinc/63/88/09/564638809.db2.gz SRYPVMAHRYUQKW-QGZVFWFLSA-N 0 0 376.503 3.190 20 30 GGEDRN C[C@H](NS(=O)(=O)c1ccc(F)cc1Br)c1ccc(C#N)cc1 ZINC000056049264 564638915 /nfs/dbraw/zinc/63/89/15/564638915.db2.gz GMVYDZBBWLUXAA-JTQLQIEISA-N 0 0 383.242 3.499 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccsc1C(=O)OC ZINC000056067644 564639572 /nfs/dbraw/zinc/63/95/72/564639572.db2.gz SAEXCLAZKRICNE-UHFFFAOYSA-N 0 0 378.475 3.007 20 30 GGEDRN CCCN([C@H](C)c1ccccc1Br)S(=O)(=O)N(C)CCC#N ZINC000056090308 564640350 /nfs/dbraw/zinc/64/03/50/564640350.db2.gz NXVNFRHNXNZLAQ-CYBMUJFWSA-N 0 0 388.331 3.312 20 30 GGEDRN CCCN([C@@H](C)c1ccccc1Br)S(=O)(=O)N(C)CCC#N ZINC000056090307 564640745 /nfs/dbraw/zinc/64/07/45/564640745.db2.gz NXVNFRHNXNZLAQ-ZDUSSCGKSA-N 0 0 388.331 3.312 20 30 GGEDRN CCc1ccc([C@@H]2COCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)o1 ZINC000129193769 564640943 /nfs/dbraw/zinc/64/09/43/564640943.db2.gz JAEAESJOSIELCJ-INIZCTEOSA-N 0 0 380.853 3.129 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)CCC(=O)c1cc(Br)ccc1OC ZINC000056409142 564648487 /nfs/dbraw/zinc/64/84/87/564648487.db2.gz IYKNOUDIDKBNBO-GFCCVEGCSA-N 0 0 381.270 3.429 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCc3c(Br)cccc3C2)cc1 ZINC000129464832 564649186 /nfs/dbraw/zinc/64/91/86/564649186.db2.gz LRZBSJRQGUMILD-UHFFFAOYSA-N 0 0 377.263 3.068 20 30 GGEDRN Cn1cc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c(C(C)(C)C)n1 ZINC000129467167 564649646 /nfs/dbraw/zinc/64/96/46/564649646.db2.gz UDCIJEXEUZSQBK-AWEZNQCLSA-N 0 0 375.270 3.475 20 30 GGEDRN CCCN(CC#N)C(=O)CCSCC(=O)Nc1ccc(Br)cc1 ZINC000056485366 564650119 /nfs/dbraw/zinc/65/01/19/564650119.db2.gz YGCGJYXKQAEADX-UHFFFAOYSA-N 0 0 398.326 3.273 20 30 GGEDRN C[C@@H](C#N)CN(C)C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000056991061 564655060 /nfs/dbraw/zinc/65/50/60/564655060.db2.gz BPFCZZGUNGTAFI-WDEREUQCSA-N 0 0 382.258 3.082 20 30 GGEDRN C[C@H](C#N)CN(C)C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000056996146 564656344 /nfs/dbraw/zinc/65/63/44/564656344.db2.gz FZDVXYMOHNXPSB-CQSZACIVSA-N 0 0 394.313 3.298 20 30 GGEDRN C=CCN(C(=O)c1csc(-c2cccc(Cl)c2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000057238875 564663643 /nfs/dbraw/zinc/66/36/43/564663643.db2.gz SFJGMZKQCNHWMH-CQSZACIVSA-N 0 0 396.921 3.279 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N(C)Cc1csc(Br)c1 ZINC000057311202 564665178 /nfs/dbraw/zinc/66/51/78/564665178.db2.gz UBOBRVGIUXTFIP-UHFFFAOYSA-N 0 0 395.278 3.428 20 30 GGEDRN CCOc1ccc(S(=O)(=O)N(CCC#N)CC2CC2)cc1Br ZINC000130014053 564667565 /nfs/dbraw/zinc/66/75/65/564667565.db2.gz JWHRNBJCQFZDAE-UHFFFAOYSA-N 0 0 387.299 3.162 20 30 GGEDRN N#Cc1ccc(NC(=O)c2cncc(I)c2)cc1Cl ZINC000130037299 564667809 /nfs/dbraw/zinc/66/78/09/564667809.db2.gz UBZGJUJYZCAHQA-UHFFFAOYSA-N 0 0 383.576 3.464 20 30 GGEDRN COc1ccc(S(=O)(=O)OCC(F)(F)C(F)F)cc1Br ZINC000057428847 564667864 /nfs/dbraw/zinc/66/78/64/564667864.db2.gz OEYNQEBMEBEXBK-UHFFFAOYSA-N 0 0 381.141 3.063 20 30 GGEDRN N#CCN1CCC(CNC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000130051256 564669090 /nfs/dbraw/zinc/66/90/90/564669090.db2.gz MPZNKSVDXRZTFZ-UHFFFAOYSA-N 0 0 385.693 3.460 20 30 GGEDRN N#Cc1ccc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)cc1 ZINC000057577309 564669738 /nfs/dbraw/zinc/66/97/38/564669738.db2.gz GGSDSSMVSIWCGO-UHFFFAOYSA-N 0 0 386.249 3.410 20 30 GGEDRN N#CC1(NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CCCCC1 ZINC000130097623 564670107 /nfs/dbraw/zinc/67/01/07/564670107.db2.gz MEEKBQZONZJXBF-OAHLLOKOSA-N 0 0 390.281 3.145 20 30 GGEDRN C=CCNc1nnc(SCC(=O)N(C)Cc2ccc(OC)c(F)c2)s1 ZINC000057649532 564670681 /nfs/dbraw/zinc/67/06/81/564670681.db2.gz XZHIBAUTAMTFHQ-UHFFFAOYSA-N 0 0 382.486 3.034 20 30 GGEDRN C[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)c2cc(Cl)ccc2O1 ZINC000130125888 564670920 /nfs/dbraw/zinc/67/09/20/564670920.db2.gz NAFGXCYEBFIPAC-VIFPVBQESA-N 0 0 384.791 3.466 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000057676731 564671550 /nfs/dbraw/zinc/67/15/50/564671550.db2.gz SDEDLCVKLICEPR-UHFFFAOYSA-N 0 0 376.243 3.471 20 30 GGEDRN CN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000057691536 564672553 /nfs/dbraw/zinc/67/25/53/564672553.db2.gz PNVXHNGNXZVUNQ-UHFFFAOYSA-N 0 0 390.212 3.057 20 30 GGEDRN CN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000057691500 564672718 /nfs/dbraw/zinc/67/27/18/564672718.db2.gz WKHQNTBNGQFKFY-UHFFFAOYSA-N 0 0 390.212 3.057 20 30 GGEDRN C[C@@H](Sc1nnc(NCC(F)(F)F)s1)C(=O)NC1(C#N)CCCCC1 ZINC000057813710 564675390 /nfs/dbraw/zinc/67/53/90/564675390.db2.gz XPRRBBKDUZNRPY-SECBINFHSA-N 0 0 393.460 3.336 20 30 GGEDRN CC[C@H](CNC(=O)C1(C#N)CCOCC1)Cc1cccc(Br)c1 ZINC000130362033 564678517 /nfs/dbraw/zinc/67/85/17/564678517.db2.gz XSTYAIXETUWPFS-AWEZNQCLSA-N 0 0 379.298 3.454 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000130466729 564682201 /nfs/dbraw/zinc/68/22/01/564682201.db2.gz AKWYBSGDKIZUCG-ABAIWWIYSA-N 0 0 382.283 3.072 20 30 GGEDRN COc1ccc(Br)c(S(=O)(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000130485643 564682888 /nfs/dbraw/zinc/68/28/88/564682888.db2.gz KUDHMMSYVLOBNX-IAQYHMDHSA-N 0 0 387.299 3.208 20 30 GGEDRN Cc1cn2c(/C=C/C(=O)c3ccc(NS(C)(=O)=O)cc3)c(C)nc2s1 ZINC000058381510 564683023 /nfs/dbraw/zinc/68/30/23/564683023.db2.gz RKAQEQDUZSYXSJ-CMDGGOBGSA-N 0 0 375.475 3.280 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCc3ccc(Cl)cc32)c1 ZINC000058495772 564684450 /nfs/dbraw/zinc/68/44/50/564684450.db2.gz DQLXUCHZUAUDSY-UHFFFAOYSA-N 0 0 376.865 3.007 20 30 GGEDRN COc1c(C)cnc(CN(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1C ZINC000058501932 564684520 /nfs/dbraw/zinc/68/45/20/564684520.db2.gz PEAKFZWQHAKVQD-UHFFFAOYSA-N 0 0 379.869 3.053 20 30 GGEDRN COc1ccc(S(=O)(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc1Br ZINC000130526538 564685077 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C[C@@]1(c2ccccc2)CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CCO1 ZINC000130877130 564694704 /nfs/dbraw/zinc/69/47/04/564694704.db2.gz WIYFVSFJNSSNDS-SFHVURJKSA-N 0 0 376.865 3.148 20 30 GGEDRN COCCN(CC(F)(F)F)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000060186729 564695618 /nfs/dbraw/zinc/69/56/18/564695618.db2.gz VKTIIMQHJNLRBU-UHFFFAOYSA-N 0 0 383.285 3.044 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)c1cccc(I)c1 ZINC000060243455 564695739 /nfs/dbraw/zinc/69/57/39/564695739.db2.gz VVRUFRKBOIJQKY-UHFFFAOYSA-N 0 0 378.169 3.424 20 30 GGEDRN N#CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000060332245 564696529 /nfs/dbraw/zinc/69/65/29/564696529.db2.gz VFNNOMLKIRWLHI-UHFFFAOYSA-N 0 0 384.244 3.048 20 30 GGEDRN C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2ccc(Br)cc2)C1=O ZINC000060346407 564696679 /nfs/dbraw/zinc/69/66/79/564696679.db2.gz MKNXXSSDQXUIDC-SFHVURJKSA-N 0 0 384.233 3.288 20 30 GGEDRN CCCCOCCOc1c(I)cc(C#N)cc1[N+](=O)[O-] ZINC000130965431 564696971 /nfs/dbraw/zinc/69/69/71/564696971.db2.gz 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389.271 3.342 20 30 GGEDRN N#CCN1CCC(CNS(=O)(=O)c2ccc(Cl)c3ccccc32)CC1 ZINC000151828541 564938531 /nfs/dbraw/zinc/93/85/31/564938531.db2.gz RNZBKYFTNPGTOT-UHFFFAOYSA-N 0 0 377.897 3.007 20 30 GGEDRN Cc1nc(C(=O)N(CCC#N)CCC#N)nn1-c1c(Cl)cccc1Cl ZINC000102914565 564939099 /nfs/dbraw/zinc/93/90/99/564939099.db2.gz SZZHGKNYFNSKCF-UHFFFAOYSA-N 0 0 377.235 3.152 20 30 GGEDRN C=CCNC(=O)[C@H](C)SCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000102937832 564939698 /nfs/dbraw/zinc/93/96/98/564939698.db2.gz MVOMMAYVVPBOSX-LBPRGKRZSA-N 0 0 396.559 3.138 20 30 GGEDRN CN(Cc1ccccc1Br)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000102963562 564940336 /nfs/dbraw/zinc/94/03/36/564940336.db2.gz HZBIARRQBYILQZ-UHFFFAOYSA-N 0 0 390.212 3.057 20 30 GGEDRN CN(Cc1ccc(Br)s1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000102963667 564940497 /nfs/dbraw/zinc/94/04/97/564940497.db2.gz VGDWDBLFMZUPBS-UHFFFAOYSA-N 0 0 396.241 3.118 20 30 GGEDRN C=CCn1c(SCCCS(C)(=O)=O)nc2sc3c(c2c1=O)CCCC3 ZINC000102971575 564940596 /nfs/dbraw/zinc/94/05/96/564940596.db2.gz GINNEQGOBMLISL-UHFFFAOYSA-N 0 0 398.575 3.050 20 30 GGEDRN Cc1ccc(Br)c(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000151930926 564941558 /nfs/dbraw/zinc/94/15/58/564941558.db2.gz LYLVMWPHJMHESG-UHFFFAOYSA-N 0 0 399.292 3.423 20 30 GGEDRN N#CCc1ccc(NC(=O)c2cc(Cn3cc(Br)cn3)on2)cc1 ZINC000151961909 564942382 /nfs/dbraw/zinc/94/23/82/564942382.db2.gz MIHWZIUGLGQMSS-UHFFFAOYSA-N 0 0 386.209 3.000 20 30 GGEDRN CCN(CCC#N)C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000103210402 564944488 /nfs/dbraw/zinc/94/44/88/564944488.db2.gz JRJWLQMVSRGRAQ-UHFFFAOYSA-N 0 0 383.271 3.255 20 30 GGEDRN CC(C)(C)CCNC(=O)Cn1cc(C#N)c(=O)c2cc(Br)ccc21 ZINC000103262391 564945293 /nfs/dbraw/zinc/94/52/93/564945293.db2.gz JLZHNAYDCMPXAG-UHFFFAOYSA-N 0 0 390.281 3.188 20 30 GGEDRN N#Cc1cn(Cc2nnsc2Cl)c2ccc(Br)cc2c1=O ZINC000103262459 564945582 /nfs/dbraw/zinc/94/55/82/564945582.db2.gz YXNLWBIXRZLUQC-UHFFFAOYSA-N 0 0 381.642 3.189 20 30 GGEDRN C[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(=O)c2cc(Br)ccc21 ZINC000103262559 564945863 /nfs/dbraw/zinc/94/58/63/564945863.db2.gz SFTGISUATZSUJI-GFCCVEGCSA-N 0 0 388.265 3.037 20 30 GGEDRN CCn1c(SCC(=O)N(CCC#N)CC2CC2)nnc1-c1cccs1 ZINC000103438539 564947852 /nfs/dbraw/zinc/94/78/52/564947852.db2.gz UDHUAFQCSKXSHT-UHFFFAOYSA-N 0 0 375.523 3.271 20 30 GGEDRN N#CCCN(CC1CC1)C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000103437504 564948076 /nfs/dbraw/zinc/94/80/76/564948076.db2.gz YNPXCXCGIYDQEM-CQSZACIVSA-N 0 0 380.275 3.499 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000152181294 564949305 /nfs/dbraw/zinc/94/93/05/564949305.db2.gz ZPWGMVNCJZNSCN-BZNIZROVSA-N 0 0 399.310 3.055 20 30 GGEDRN C=CCc1ccc(OC[C@@H](O)Cn2nc(C)c(Br)c2C)c(OC)c1 ZINC000152168349 564949473 /nfs/dbraw/zinc/94/94/73/564949473.db2.gz PYSXJFCYLHCUMU-HNNXBMFYSA-N 0 0 395.297 3.439 20 30 GGEDRN COc1ccccc1SC[C@H](C)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000103499122 564949593 /nfs/dbraw/zinc/94/95/93/564949593.db2.gz BBSCOCSWEURSSO-CQSZACIVSA-N 0 0 376.503 3.274 20 30 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C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000105974866 564975484 /nfs/dbraw/zinc/97/54/84/564975484.db2.gz YERNVZCOYUADEP-JTQLQIEISA-N 0 0 380.819 3.327 20 30 GGEDRN Cc1c(C(=O)N(CCC#N)CCC#N)cnn1-c1cccc(Br)c1 ZINC000106017273 564976134 /nfs/dbraw/zinc/97/61/34/564976134.db2.gz PQHRNNZIUUERJD-UHFFFAOYSA-N 0 0 386.253 3.213 20 30 GGEDRN N#C[C@@H]1CN(C(=O)c2cccnc2Oc2cccc(Br)c2)CCO1 ZINC000106047782 564976939 /nfs/dbraw/zinc/97/69/39/564976939.db2.gz OXOAPOUCXCQVKM-CQSZACIVSA-N 0 0 388.221 3.001 20 30 GGEDRN N#C[C@@H]1CN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CCO1 ZINC000106053714 564977139 /nfs/dbraw/zinc/97/71/39/564977139.db2.gz KTNXQEAKKJWSKY-GFCCVEGCSA-N 0 0 375.837 3.018 20 30 GGEDRN C=C(C)COCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000152912573 564977240 /nfs/dbraw/zinc/97/72/40/564977240.db2.gz SVNDMBKSPIZOFI-INIZCTEOSA-N 0 0 385.291 3.307 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000152927194 564977578 /nfs/dbraw/zinc/97/75/78/564977578.db2.gz 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CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000107239776 564997499 /nfs/dbraw/zinc/99/74/99/564997499.db2.gz YDBXVWHQPMDTHR-KDOFPFPSSA-N 0 0 382.551 3.405 20 30 GGEDRN N#Cc1ccc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)nc1 ZINC000107437144 564998850 /nfs/dbraw/zinc/99/88/50/564998850.db2.gz SQUGXRZJKGHRJX-UHFFFAOYSA-N 0 0 382.221 3.213 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)c1csc(I)c1 ZINC000107444801 564999236 /nfs/dbraw/zinc/99/92/36/564999236.db2.gz AOMSBZMDEDAVTD-UHFFFAOYSA-N 0 0 382.226 3.497 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000153534830 564999420 /nfs/dbraw/zinc/99/94/20/564999420.db2.gz APFBOVYWISPGIF-UHFFFAOYSA-N 0 0 387.277 3.394 20 30 GGEDRN CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)c2sccc2C#N)cc1 ZINC000107618486 565000378 /nfs/dbraw/zinc/00/03/78/565000378.db2.gz QEIMDSLPHQRQBS-UHFFFAOYSA-N 0 0 376.503 3.121 20 30 GGEDRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000153561818 565000438 /nfs/dbraw/zinc/00/04/38/565000438.db2.gz HPDWTGZKBJNYSI-UHFFFAOYSA-N 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/nfs/dbraw/zinc/01/10/06/565011006.db2.gz SUCKMAYTQSUPLN-GOSISDBHSA-N 0 0 376.865 3.115 20 30 GGEDRN Cc1nc(C)c(CCNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1 ZINC000108404917 565011070 /nfs/dbraw/zinc/01/10/70/565011070.db2.gz MQGJALAPLAFGJJ-UHFFFAOYSA-N 0 0 389.424 3.171 20 30 GGEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCOc1cccc(Br)c1 ZINC000108438853 565011868 /nfs/dbraw/zinc/01/18/68/565011868.db2.gz OVOGCIUOENIMJF-ZDUSSCGKSA-N 0 0 389.249 3.283 20 30 GGEDRN N#Cc1ccc(OC[C@H](O)COc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000153851245 565014313 /nfs/dbraw/zinc/01/43/13/565014313.db2.gz WFQPITGWIJKCKI-ZDUSSCGKSA-N 0 0 393.193 3.048 20 30 GGEDRN N#CCCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc(Cl)c1 ZINC000108761622 565016601 /nfs/dbraw/zinc/01/66/01/565016601.db2.gz CXURWXAGHZEAPF-UHFFFAOYSA-N 0 0 378.837 3.220 20 30 GGEDRN N#C[C@H](NC(=O)c1csc(I)c1)c1ccccc1F ZINC000108802405 565017190 /nfs/dbraw/zinc/01/71/90/565017190.db2.gz OXKVNCVJYGHERF-NSHDSACASA-N 0 0 386.189 3.486 20 30 GGEDRN CC(C)CS(=O)(=O)CCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000108819440 565017508 /nfs/dbraw/zinc/01/75/08/565017508.db2.gz YBVZGJMJJIYROW-ZDUSSCGKSA-N 0 0 377.293 3.135 20 30 GGEDRN CC(=O)Nc1cccc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000153965565 565019760 /nfs/dbraw/zinc/01/97/60/565019760.db2.gz RKTYODPOQYYZES-UHFFFAOYSA-N 0 0 394.250 3.080 20 30 GGEDRN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000153983989 565020208 /nfs/dbraw/zinc/02/02/08/565020208.db2.gz OBKIBWFMVGTBMR-UHFFFAOYSA-N 0 0 391.250 3.306 20 30 GGEDRN CN(c1cc(F)ccc1F)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000153982280 565020451 /nfs/dbraw/zinc/02/04/51/565020451.db2.gz XLQINFJUABAROD-UHFFFAOYSA-N 0 0 387.205 3.424 20 30 GGEDRN Cc1nc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)sc1SCC#N ZINC000109071113 565020663 /nfs/dbraw/zinc/02/06/63/565020663.db2.gz VOCBOKUKXDMYDA-LBPRGKRZSA-N 0 0 380.539 3.290 20 30 GGEDRN Cc1nc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)sc1SCC#N ZINC000109071111 565020866 /nfs/dbraw/zinc/02/08/66/565020866.db2.gz VOCBOKUKXDMYDA-GFCCVEGCSA-N 0 0 380.539 3.290 20 30 GGEDRN Cc1ccc2c(c1)OCCN2S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000153988633 565021194 /nfs/dbraw/zinc/02/11/94/565021194.db2.gz SEJFYYQDHPRWKT-UHFFFAOYSA-N 0 0 393.262 3.217 20 30 GGEDRN N#CC1(C(=O)NCC2(c3cccc(Br)c3)CCC2)CCOCC1 ZINC000109141287 565021560 /nfs/dbraw/zinc/02/15/60/565021560.db2.gz ISGVOAPZDURNPI-UHFFFAOYSA-N 0 0 377.282 3.307 20 30 GGEDRN C=CCNC(=O)[C@@H](C)SCc1nc(Cc2cccc(Br)c2)no1 ZINC000109147420 565021721 /nfs/dbraw/zinc/02/17/21/565021721.db2.gz DHUWQQGGEYJTKC-LLVKDONJSA-N 0 0 396.310 3.347 20 30 GGEDRN N#CC1(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)CCOCC1 ZINC000109143422 565021761 /nfs/dbraw/zinc/02/17/61/565021761.db2.gz MCZYRGUGLKPGEB-HNNXBMFYSA-N 0 0 387.238 3.353 20 30 GGEDRN N#C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2)c1cccc(Br)c1 ZINC000109265947 565023332 /nfs/dbraw/zinc/02/33/32/565023332.db2.gz ZBAHPHRUVZTTLD-MRXNPFEDSA-N 0 0 386.249 3.011 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(CSC)c2)c1 ZINC000109300419 565023993 /nfs/dbraw/zinc/02/39/93/565023993.db2.gz WDUGFLPGELFJAD-UHFFFAOYSA-N 0 0 376.503 3.266 20 30 GGEDRN N#C[C@@H](NC(=O)c1cnc2sccn2c1=O)c1ccc(Cl)c(Cl)c1 ZINC000109290296 565024172 /nfs/dbraw/zinc/02/41/72/565024172.db2.gz RWLGJEHRZRHXAX-GFCCVEGCSA-N 0 0 379.228 3.057 20 30 GGEDRN COc1ccccc1COC[C@@H](O)COc1ccc(Br)cc1C#N ZINC000154115135 565026350 /nfs/dbraw/zinc/02/63/50/565026350.db2.gz QAKHGNZSBFWODK-MRXNPFEDSA-N 0 0 392.249 3.286 20 30 GGEDRN C=CCN(C)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000154192665 565028573 /nfs/dbraw/zinc/02/85/73/565028573.db2.gz RFXWMRDPXITXCP-UHFFFAOYSA-N 0 0 377.238 3.481 20 30 GGEDRN N#C[C@H](NC(=O)Cc1cccc(I)c1)c1ccccc1F ZINC000154205916 565029218 /nfs/dbraw/zinc/02/92/18/565029218.db2.gz CVYXNESZXPLQEI-HNNXBMFYSA-N 0 0 394.187 3.354 20 30 GGEDRN C[C@@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000154196696 565029706 /nfs/dbraw/zinc/02/97/06/565029706.db2.gz OMZWENYEHYSNFD-NSHDSACASA-N 0 0 375.450 3.217 20 30 GGEDRN 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C[C@H](c1cnccn1)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000184705697 565154132 /nfs/dbraw/zinc/15/41/32/565154132.db2.gz NLALLXGUROZASC-KDOFPFPSSA-N 0 0 386.297 3.183 20 30 GGEDRN COCCOc1ncccc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000158022247 565154157 /nfs/dbraw/zinc/15/41/57/565154157.db2.gz INGBZROTVDYYQQ-AWEZNQCLSA-N 0 0 380.231 3.408 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(Br)cc1F ZINC000184768442 565155434 /nfs/dbraw/zinc/15/54/34/565155434.db2.gz QZVMARNAHKWLSY-UHFFFAOYSA-N 0 0 385.214 3.269 20 30 GGEDRN N#Cc1ccnc(N2CCO[C@@H](c3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000268503521 565156366 /nfs/dbraw/zinc/15/63/66/565156366.db2.gz QMXNJNRWLSTHCV-CQSZACIVSA-N 0 0 389.209 3.202 20 30 GGEDRN C=CCC(C)(C)CNC(=O)C(=O)Nc1cccc(Br)c1COC ZINC000293272151 565159524 /nfs/dbraw/zinc/15/95/24/565159524.db2.gz GICUNAMYHIMXDX-UHFFFAOYSA-N 0 0 383.286 3.253 20 30 GGEDRN COc1ccc(Br)c(NS(=O)(=O)c2ccc(C#N)cc2OC)c1 ZINC000184836149 565159978 /nfs/dbraw/zinc/15/99/78/565159978.db2.gz VKWSGIIAHWZHOH-UHFFFAOYSA-N 0 0 397.250 3.139 20 30 GGEDRN C[C@H](C#N)CN(C)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000268612914 565160464 /nfs/dbraw/zinc/16/04/64/565160464.db2.gz WPHZNVCBBRLGPN-CQSZACIVSA-N 0 0 393.329 3.215 20 30 GGEDRN N#Cc1ccc(CCC(=O)N2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000370799766 565161203 /nfs/dbraw/zinc/16/12/03/565161203.db2.gz CYZBLAMYUXDRLT-UHFFFAOYSA-N 0 0 387.281 3.314 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C)Oc2ccc(Cl)cc21 ZINC000184862523 565161390 /nfs/dbraw/zinc/16/13/90/565161390.db2.gz OXYVSURVUSCGQP-NSHDSACASA-N 0 0 378.837 3.196 20 30 GGEDRN C=CCC(C)(C)CNC(=O)C(=O)Nc1cc(Br)c(OC)cc1OC ZINC000293306232 565162040 /nfs/dbraw/zinc/16/20/40/565162040.db2.gz IHNZUPSAEBFPKZ-UHFFFAOYSA-N 0 0 399.285 3.123 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cc1Cl ZINC000158253553 565162305 /nfs/dbraw/zinc/16/23/05/565162305.db2.gz ORLXYYHUHPUKJG-OAHLLOKOSA-N 0 0 378.837 3.180 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1Cl ZINC000158253695 565162546 /nfs/dbraw/zinc/16/25/46/565162546.db2.gz ORLXYYHUHPUKJG-HNNXBMFYSA-N 0 0 378.837 3.180 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)cc1 ZINC000184866917 565162509 /nfs/dbraw/zinc/16/25/09/565162509.db2.gz BROAQRSHIOSBMN-UHFFFAOYSA-N 0 0 397.232 3.057 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000158250051 565162973 /nfs/dbraw/zinc/16/29/73/565162973.db2.gz YIBIUQVTANKUMP-UHFFFAOYSA-N 0 0 376.865 3.486 20 30 GGEDRN CC(C)(C)OC(=O)CCCCCNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184979856 565168638 /nfs/dbraw/zinc/16/86/38/565168638.db2.gz HOLGXORTFXDDIK-UHFFFAOYSA-N 0 0 386.901 3.392 20 30 GGEDRN C=CCn1c(S[C@H](C)C(=O)NCCCOCC)nnc1-c1cccs1 ZINC000268838000 565169131 /nfs/dbraw/zinc/16/91/31/565169131.db2.gz YOWPEKFXAOMAHL-CYBMUJFWSA-N 0 0 380.539 3.216 20 30 GGEDRN N#CCCCNC(=O)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293492935 565171663 /nfs/dbraw/zinc/17/16/63/565171663.db2.gz OBRMINGEEHDNLA-UHFFFAOYSA-N 0 0 383.261 3.347 20 30 GGEDRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185023017 565173218 /nfs/dbraw/zinc/17/32/18/565173218.db2.gz MGWTUFWNYODITB-YYUOZPCZSA-N 0 0 396.921 3.331 20 30 GGEDRN C=CCC[C@H](NC(=O)c1cnn(C)c1I)c1ccccc1 ZINC000293575387 565174736 /nfs/dbraw/zinc/17/47/36/565174736.db2.gz BVXPTLZUZHDPMW-AWEZNQCLSA-N 0 0 395.244 3.462 20 30 GGEDRN CCC(CC)(CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)SC ZINC000293552755 565174764 /nfs/dbraw/zinc/17/47/64/565174764.db2.gz ZBROUCAUIAYVFV-UHFFFAOYSA-N 0 0 398.326 3.297 20 30 GGEDRN C=CCOc1c(Br)cc(CN2CCC(C(N)=O)CC2)cc1OCC ZINC000158593171 565174696 /nfs/dbraw/zinc/17/46/96/565174696.db2.gz NQUWDVRMENHSED-UHFFFAOYSA-N 0 0 397.313 3.110 20 30 GGEDRN C=CCC[C@@H](NC(=O)c1cnn(C)c1I)c1ccccc1 ZINC000293575388 565174943 /nfs/dbraw/zinc/17/49/43/565174943.db2.gz BVXPTLZUZHDPMW-CQSZACIVSA-N 0 0 395.244 3.462 20 30 GGEDRN CC(C)(CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C1CC1 ZINC000293622535 565177562 /nfs/dbraw/zinc/17/75/62/565177562.db2.gz ZDUCLMJMFHCKMT-UHFFFAOYSA-N 0 0 378.270 3.202 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1F ZINC000293641054 565179004 /nfs/dbraw/zinc/17/90/04/565179004.db2.gz ZTJCFXSYWCCSLM-CZUORRHYSA-N 0 0 380.466 3.036 20 30 GGEDRN N#Cc1ccc(NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)c(Cl)c1 ZINC000269161105 565180257 /nfs/dbraw/zinc/18/02/57/565180257.db2.gz UOLGIUVZMFEAKL-UHFFFAOYSA-N 0 0 381.885 3.177 20 30 GGEDRN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N(CCC#N)CC(F)(F)F)c1 ZINC000158762271 565181047 /nfs/dbraw/zinc/18/10/47/565181047.db2.gz MWIZYPWHWUJSBR-UHFFFAOYSA-N 0 0 376.766 3.352 20 30 GGEDRN C[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H](c2ccsc2)O1 ZINC000185173946 565183287 /nfs/dbraw/zinc/18/32/87/565183287.db2.gz BNRBKMRASISGOG-XHDPSFHLSA-N 0 0 382.894 3.424 20 30 GGEDRN COCCN(C(=O)COc1ccccc1Br)c1ccc(C#N)cc1 ZINC000158844273 565185030 /nfs/dbraw/zinc/18/50/30/565185030.db2.gz LIYKGPZINSXKHV-UHFFFAOYSA-N 0 0 389.249 3.379 20 30 GGEDRN N#Cc1cccc([C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])CCO2)c1 ZINC000371288152 565185806 /nfs/dbraw/zinc/18/58/06/565185806.db2.gz WNCNVYYZANOOQB-HNNXBMFYSA-N 0 0 389.209 3.202 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)NCc2csc(-c3ccco3)n2)c1 ZINC000185211781 565186937 /nfs/dbraw/zinc/18/69/37/565186937.db2.gz XTQMNRFZFHNEIU-UHFFFAOYSA-N 0 0 379.850 3.407 20 30 GGEDRN N#CC1CCN(C(=O)Nc2ccnn2Cc2ccccc2Br)CC1 ZINC000158932930 565187545 /nfs/dbraw/zinc/18/75/45/565187545.db2.gz BQBZSDRSILOEKS-UHFFFAOYSA-N 0 0 388.269 3.461 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)CSc1ccc(C)cc1 ZINC000185223296 565188646 /nfs/dbraw/zinc/18/86/46/565188646.db2.gz BDMOWXWXFIHEIX-CQSZACIVSA-N 0 0 376.503 3.334 20 30 GGEDRN COC(=O)[C@@H](NCc1cc(C#N)ccc1F)c1cccc(Br)c1 ZINC000158979672 565190950 /nfs/dbraw/zinc/19/09/50/565190950.db2.gz NQMYRCMVKSBZRN-INIZCTEOSA-N 0 0 377.213 3.464 20 30 GGEDRN CN(Cc1cccc(C#N)c1)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000159062845 565192532 /nfs/dbraw/zinc/19/25/32/565192532.db2.gz VYSODKZMRWFBSH-MRXNPFEDSA-N 0 0 376.229 3.118 20 30 GGEDRN Cc1nn(Cc2ccc(Cl)cc2C#N)c(C)c1S(=O)(=O)NC(C)(C)C ZINC000185279922 565192563 /nfs/dbraw/zinc/19/25/63/565192563.db2.gz PEYKOJKQBZAHMZ-UHFFFAOYSA-N 0 0 380.901 3.150 20 30 GGEDRN C=CCNC(=O)[C@@H](C)S(=O)(=O)Cc1nc(-c2ccccc2Cl)cs1 ZINC000185302984 565194817 /nfs/dbraw/zinc/19/48/17/565194817.db2.gz BZEXYIIXQSOCGZ-LLVKDONJSA-N 0 0 384.910 3.069 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H]1CF ZINC000294036379 565195022 /nfs/dbraw/zinc/19/50/22/565195022.db2.gz KJQMEBJVLZCQJJ-LBPRGKRZSA-N 0 0 385.233 3.059 20 30 GGEDRN CN1c2ccccc2[C@@H](C(=O)N[C@@H](C#N)c2cccc(Br)c2)CC1=O ZINC000371491835 565196264 /nfs/dbraw/zinc/19/62/64/565196264.db2.gz WXXKEAGCGMPCKN-HOTGVXAUSA-N 0 0 398.260 3.280 20 30 GGEDRN N#CCCn1ccc(NC(=O)NCc2cc3cc(Br)ccc3[nH]2)n1 ZINC000185346129 565197349 /nfs/dbraw/zinc/19/73/49/565197349.db2.gz UOBYRRXOAIUDIL-UHFFFAOYSA-N 0 0 387.241 3.362 20 30 GGEDRN Cc1cc(I)cn(Cc2ccc(Cl)cc2C#N)c1=O ZINC000185395392 565199800 /nfs/dbraw/zinc/19/98/00/565199800.db2.gz NSNMCYLSCGDGTE-UHFFFAOYSA-N 0 0 384.604 3.335 20 30 GGEDRN N#Cc1ccc(CN2CCC(OC[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000371543367 565200103 /nfs/dbraw/zinc/20/01/03/565200103.db2.gz NVYPYDKPAAWDSS-OAHLLOKOSA-N 0 0 379.298 3.338 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCSC[C@@H]2c2nccs2)c(Cl)c1 ZINC000185416019 565200192 /nfs/dbraw/zinc/20/01/92/565200192.db2.gz CGUSCCJKPOWYFW-GFCCVEGCSA-N 0 0 385.923 3.147 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCSC[C@H]2c2nccs2)cc1Cl ZINC000185417282 565200387 /nfs/dbraw/zinc/20/03/87/565200387.db2.gz KKVDMEAVRCUYSJ-ZDUSSCGKSA-N 0 0 385.923 3.147 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000185413066 565200561 /nfs/dbraw/zinc/20/05/61/565200561.db2.gz DWWLACHHCRMPLE-AWEZNQCLSA-N 0 0 378.450 3.221 20 30 GGEDRN CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000159294560 565200692 /nfs/dbraw/zinc/20/06/92/565200692.db2.gz IBTGWVGAFYVZFT-LSDHHAIUSA-N 0 0 379.913 3.359 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)c2cc(Br)cc(N(C)C)c2)n1 ZINC000294165448 565200741 /nfs/dbraw/zinc/20/07/41/565200741.db2.gz IMBOZEBCLYEXON-UHFFFAOYSA-N 0 0 389.297 3.007 20 30 GGEDRN CCOC(=O)NCCCC(=O)Oc1c(Br)cc(C#N)cc1OCC ZINC000269821289 565201240 /nfs/dbraw/zinc/20/12/40/565201240.db2.gz JFNWDKPNIARYCH-UHFFFAOYSA-N 0 0 399.241 3.151 20 30 GGEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1CCCSCC#N ZINC000371611664 565202202 /nfs/dbraw/zinc/20/22/02/565202202.db2.gz NCORMMXBESGBSP-AWEZNQCLSA-N 0 0 376.448 3.082 20 30 GGEDRN C=CCN(C(=O)CCCOc1ccc(C)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000159310423 565202283 /nfs/dbraw/zinc/20/22/83/565202283.db2.gz ONFBTUGMDOUKOU-HNNXBMFYSA-N 0 0 385.913 3.009 20 30 GGEDRN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000159336590 565202994 /nfs/dbraw/zinc/20/29/94/565202994.db2.gz WVLWFHXKBUGILT-HNNXBMFYSA-N 0 0 376.865 3.194 20 30 GGEDRN N#Cc1cc(Br)cc(S(=O)(=O)N2CCc3c2cccc3F)c1 ZINC000185590843 565209966 /nfs/dbraw/zinc/20/99/66/565209966.db2.gz PQASSYFFMXNXSS-UHFFFAOYSA-N 0 0 381.226 3.211 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000185580995 565209981 /nfs/dbraw/zinc/20/99/81/565209981.db2.gz ITCGISAEFCKJDE-UHFFFAOYSA-N 0 0 376.865 3.230 20 30 GGEDRN C=CCCOCCNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000270154940 565210209 /nfs/dbraw/zinc/21/02/09/565210209.db2.gz BLMOCJBIYTYAAD-JOCHJYFZSA-N 0 0 388.327 3.046 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)c1ccc(CNS(=O)(=O)CC)cc1 ZINC000159575163 565210208 /nfs/dbraw/zinc/21/02/08/565210208.db2.gz UKPKRVCXMWOJSW-UHFFFAOYSA-N 0 0 378.519 3.016 20 30 GGEDRN C=CCN(CC(=O)N(CC)CCC#N)Cc1cc(Br)ccc1F ZINC000159553180 565210311 /nfs/dbraw/zinc/21/03/11/565210311.db2.gz STSMSLVGAWSSBQ-UHFFFAOYSA-N 0 0 382.277 3.338 20 30 GGEDRN N#CC1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCSCC1 ZINC000270242673 565212370 /nfs/dbraw/zinc/21/23/70/565212370.db2.gz QLVNVYQAUBZWDV-UHFFFAOYSA-N 0 0 388.218 3.016 20 30 GGEDRN CC#CCN(C)C(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000294428938 565212394 /nfs/dbraw/zinc/21/23/94/565212394.db2.gz GBEQXNJHBHCZNR-HNNXBMFYSA-N 0 0 387.332 3.327 20 30 GGEDRN COc1cc(Br)c(S(=O)(=O)N(C)C2(C#N)CCC2)cc1Cl ZINC000185629876 565212457 /nfs/dbraw/zinc/21/24/57/565212457.db2.gz LXGGKFZBKSLIMY-UHFFFAOYSA-N 0 0 393.690 3.178 20 30 GGEDRN CCN(CCC#N)C(=O)CN1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000185642537 565213653 /nfs/dbraw/zinc/21/36/53/565213653.db2.gz KGGFYPJWCQTTHX-MRXNPFEDSA-N 0 0 382.277 3.487 20 30 GGEDRN COC[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(F)c(F)c1 ZINC000185667478 565214758 /nfs/dbraw/zinc/21/47/58/565214758.db2.gz NMXPTCKHLXLDDH-OAHLLOKOSA-N 0 0 386.807 3.156 20 30 GGEDRN C=C(C)[C@H](CC(=O)Nc1cc(Br)ccc1-n1cncn1)OCC ZINC000270347602 565216069 /nfs/dbraw/zinc/21/60/69/565216069.db2.gz PDGIHKMCMCTRNN-HNNXBMFYSA-N 0 0 379.258 3.340 20 30 GGEDRN CCCc1c(C(=O)N[C@@H](C#N)CC)nnn1Cc1cccc(Br)c1 ZINC000270384383 565216968 /nfs/dbraw/zinc/21/69/68/565216968.db2.gz ZRRVBNOSQNRWPH-CQSZACIVSA-N 0 0 390.285 3.073 20 30 GGEDRN Cc1noc([C@@H]2CCCN(C(=O)c3ccc(Br)cc3C#N)C2)n1 ZINC000294557781 565217698 /nfs/dbraw/zinc/21/76/98/565217698.db2.gz STSOBGSNTVZUHG-LLVKDONJSA-N 0 0 375.226 3.032 20 30 GGEDRN C=CCOc1c(Br)cc(CN2CCC(CC(N)=O)CC2)cc1OC ZINC000159784508 565218340 /nfs/dbraw/zinc/21/83/40/565218340.db2.gz VUPRVVQBWOPMGR-UHFFFAOYSA-N 0 0 397.313 3.110 20 30 GGEDRN Cc1cc(NC(=O)c2cc(Br)cc(N(C)C)c2)nn1CCC#N ZINC000294591853 565218663 /nfs/dbraw/zinc/21/86/63/565218663.db2.gz OCFCYLPUPLMGGT-UHFFFAOYSA-N 0 0 376.258 3.186 20 30 GGEDRN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc(Br)cc2C#N)C1 ZINC000294689392 565223192 /nfs/dbraw/zinc/22/31/92/565223192.db2.gz SJMUWQRWHWZCCV-ZDUSSCGKSA-N 0 0 394.269 3.060 20 30 GGEDRN CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000159924014 565223321 /nfs/dbraw/zinc/22/33/21/565223321.db2.gz XFWCXHYRGCHFOV-UHFFFAOYSA-N 0 0 377.853 3.152 20 30 GGEDRN CC(C)CC(=O)N1CCC(NC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000294686508 565223799 /nfs/dbraw/zinc/22/37/99/565223799.db2.gz KDVUVPWNHLLJJT-UHFFFAOYSA-N 0 0 392.297 3.088 20 30 GGEDRN C#CCN(CC)C(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000270714364 565225766 /nfs/dbraw/zinc/22/57/66/565225766.db2.gz CJBWZZQYNUBLOU-HNNXBMFYSA-N 0 0 387.332 3.327 20 30 GGEDRN C[C@@H](c1ccsc1)N1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000185892387 565226197 /nfs/dbraw/zinc/22/61/97/565226197.db2.gz YMNUPQKODGRYOA-ZDUSSCGKSA-N 0 0 395.937 3.341 20 30 GGEDRN N#Cc1cccc(NCC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c1 ZINC000159996408 565226327 /nfs/dbraw/zinc/22/63/27/565226327.db2.gz GKEHXBHGDQYXTK-MRXNPFEDSA-N 0 0 399.292 3.128 20 30 GGEDRN N#Cc1cccc(NC(=O)N(CCO)Cc2cc(Br)ccc2F)c1 ZINC000160007149 565227787 /nfs/dbraw/zinc/22/77/87/565227787.db2.gz ZIPCDNHJRDJIGD-UHFFFAOYSA-N 0 0 392.228 3.486 20 30 GGEDRN Cc1ccc(NC(=O)Cn2c(C)c(Br)cc(C#N)c2=O)c(Cl)c1 ZINC000185925406 565228869 /nfs/dbraw/zinc/22/88/69/565228869.db2.gz QMRKWWVACYQMJI-UHFFFAOYSA-N 0 0 394.656 3.391 20 30 GGEDRN Cc1c(Br)cc(C#N)c(=O)n1Cc1nc(-c2ccc(F)cc2)no1 ZINC000185943858 565230130 /nfs/dbraw/zinc/23/01/30/565230130.db2.gz WABZMYYPRFNXFC-UHFFFAOYSA-N 0 0 389.184 3.028 20 30 GGEDRN N#C[C@H](C(=O)Nc1ccc(Br)cc1)c1nccn1CC(F)(F)F ZINC000160126492 565231036 /nfs/dbraw/zinc/23/10/36/565231036.db2.gz PUUGYUQHUATXJF-NSHDSACASA-N 0 0 387.159 3.454 20 30 GGEDRN N#Cc1cccc([C@@H]2CN(C(=O)Nc3cccnc3Br)CCO2)c1 ZINC000372342009 565232574 /nfs/dbraw/zinc/23/25/74/565232574.db2.gz MMSLOQMWHHBKFX-HNNXBMFYSA-N 0 0 387.237 3.321 20 30 GGEDRN CCS(=O)(=O)c1cccc(CC(=O)N[C@H](C#N)c2ccccc2Cl)c1 ZINC000185975699 565232871 /nfs/dbraw/zinc/23/28/71/565232871.db2.gz OJXVXQLLMLFUQR-QGZVFWFLSA-N 0 0 376.865 3.057 20 30 GGEDRN C[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1cccc(O)c1 ZINC000160154613 565233858 /nfs/dbraw/zinc/23/38/58/565233858.db2.gz COOUROUHWBXASU-JTQLQIEISA-N 0 0 381.251 3.066 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1cccc(O)c1 ZINC000160154749 565234312 /nfs/dbraw/zinc/23/43/12/565234312.db2.gz COOUROUHWBXASU-SNVBAGLBSA-N 0 0 381.251 3.066 20 30 GGEDRN C=CCN(C(=O)Cc1csc2ccc(Cl)cc12)[C@H]1CCS(=O)(=O)C1 ZINC000160189538 565235085 /nfs/dbraw/zinc/23/50/85/565235085.db2.gz UIXDXCWJQCKNQX-AWEZNQCLSA-N 0 0 383.922 3.299 20 30 GGEDRN COC(=O)[C@H](Nc1cc(C)n(CCC#N)n1)c1cccc(Br)c1 ZINC000271007512 565235290 /nfs/dbraw/zinc/23/52/90/565235290.db2.gz ISKQEXUHBMGTHR-OAHLLOKOSA-N 0 0 377.242 3.194 20 30 GGEDRN CS[C@@H]1CCN(c2cc(N3CC[C@H](SC)C3)c(C#N)cc2[N+](=O)[O-])C1 ZINC000294922348 565235729 /nfs/dbraw/zinc/23/57/29/565235729.db2.gz GSBHMSSTTGYNQQ-UONOGXRCSA-N 0 0 378.523 3.350 20 30 GGEDRN CC(C)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000271035377 565236186 /nfs/dbraw/zinc/23/61/86/565236186.db2.gz KANQUBCNERQRRL-CVEARBPZSA-N 0 0 392.297 3.167 20 30 GGEDRN CC(C)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000271035380 565236333 /nfs/dbraw/zinc/23/63/33/565236333.db2.gz KANQUBCNERQRRL-HOTGVXAUSA-N 0 0 392.297 3.167 20 30 GGEDRN CC(C)[C@@H](C)N(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C1CC1 ZINC000294957923 565237103 /nfs/dbraw/zinc/23/71/03/565237103.db2.gz YWPAAKYWSIDRAD-LLVKDONJSA-N 0 0 378.270 3.295 20 30 GGEDRN N#C[C@@]1(NC(=O)c2cc(Br)ccc2Br)CCSC1 ZINC000160272616 565238698 /nfs/dbraw/zinc/23/86/98/565238698.db2.gz RSEZXRKKNWPCQI-LBPRGKRZSA-N 0 0 390.100 3.341 20 30 GGEDRN Cc1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)nn1CCC#N ZINC000271143908 565239697 /nfs/dbraw/zinc/23/96/97/565239697.db2.gz QXPTYKJGTSWHSQ-UHFFFAOYSA-N 0 0 392.213 3.337 20 30 GGEDRN Cc1cc(NC(=O)[C@H](C)Oc2ccccc2Br)nn1CCC#N ZINC000271126844 565239789 /nfs/dbraw/zinc/23/97/89/565239789.db2.gz LJBRSSNNIPFYHO-LBPRGKRZSA-N 0 0 377.242 3.274 20 30 GGEDRN Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)nn1CCC#N ZINC000271143912 565239959 /nfs/dbraw/zinc/23/99/59/565239959.db2.gz QXXJAABNWVQQDO-GFCCVEGCSA-N 0 0 377.242 3.274 20 30 GGEDRN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2C#N)C1 ZINC000295024659 565240243 /nfs/dbraw/zinc/24/02/43/565240243.db2.gz DTBFBRUVUXWHOJ-VVYDWRJNSA-N 0 0 383.311 3.130 20 30 GGEDRN Cn1nc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1OC(F)F ZINC000186112189 565240519 /nfs/dbraw/zinc/24/05/19/565240519.db2.gz NMMWOHMJNWUZOD-LLVKDONJSA-N 0 0 375.162 3.323 20 30 GGEDRN N#C[C@]1(C(=O)NC[C@@H](CO)Cc2ccccc2Br)CC12CCCC2 ZINC000295072939 565243239 /nfs/dbraw/zinc/24/32/39/565243239.db2.gz ABOKTBLKTAOHJT-LIRRHRJNSA-N 0 0 391.309 3.190 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCCC[C@H]2CCCCO2)cc1C(F)(F)F ZINC000186164440 565243572 /nfs/dbraw/zinc/24/35/72/565243572.db2.gz FTLSZPCWDGHOFE-CYBMUJFWSA-N 0 0 376.400 3.205 20 30 GGEDRN C[C@@H](N1CCN(C(=O)c2ccc(Br)cc2C#N)CC1)C(F)(F)F ZINC000295086576 565244096 /nfs/dbraw/zinc/24/40/96/565244096.db2.gz JAHCESXMZWVHDU-SNVBAGLBSA-N 0 0 390.203 3.029 20 30 GGEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCC[C@@H]1CCCCO1 ZINC000186172915 565245058 /nfs/dbraw/zinc/24/50/58/565245058.db2.gz CQQJWEVOEUZNBJ-AWEZNQCLSA-N 0 0 376.400 3.205 20 30 GGEDRN CCn1ccnc1[C@H]1OCCC[C@@H]1Nc1ncc(Br)cc1C#N ZINC000295122919 565247011 /nfs/dbraw/zinc/24/70/11/565247011.db2.gz XBQSSPVYFFCKIX-KBPBESRZSA-N 0 0 376.258 3.264 20 30 GGEDRN CC(C)(CC#N)CS(=O)(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000295158390 565247728 /nfs/dbraw/zinc/24/77/28/565247728.db2.gz OJZKZGGXZQUOFA-UHFFFAOYSA-N 0 0 384.299 3.290 20 30 GGEDRN C[C@H]1CN(c2snc(Cl)c2C#N)CCN1c1snc(Cl)c1C#N ZINC000271337743 565248726 /nfs/dbraw/zinc/24/87/26/565248726.db2.gz REHGXWQCYVEHPE-ZETCQYMHSA-N 0 0 385.305 3.365 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1Br ZINC000295164918 565249128 /nfs/dbraw/zinc/24/91/28/565249128.db2.gz PFJVTWZBYRNNQS-MEDUHNTESA-N 0 0 384.270 3.177 20 30 GGEDRN CCN(Cc1cc(Br)ccc1O)S(=O)(=O)CC(C)(C)CC#N ZINC000295169068 565249317 /nfs/dbraw/zinc/24/93/17/565249317.db2.gz GJDCCSKMDFNYBX-UHFFFAOYSA-N 0 0 389.315 3.246 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000160559652 565250848 /nfs/dbraw/zinc/25/08/48/565250848.db2.gz XIZSBGRSSWYXNY-AWEZNQCLSA-N 0 0 380.828 3.193 20 30 GGEDRN C=CCN(C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)C1CC1 ZINC000271549347 565257888 /nfs/dbraw/zinc/25/78/88/565257888.db2.gz QMBPAGUASKYQGG-UHFFFAOYSA-N 0 0 376.503 3.017 20 30 GGEDRN CCOCCN(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000271529307 565258197 /nfs/dbraw/zinc/25/81/97/565258197.db2.gz MDFXCLCFOYRMPW-UHFFFAOYSA-N 0 0 377.495 3.202 20 30 GGEDRN Cc1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c(Br)n1 ZINC000160785162 565259400 /nfs/dbraw/zinc/25/94/00/565259400.db2.gz FMGFSHGNWVOLPL-QGZVFWFLSA-N 0 0 399.292 3.175 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N(Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000186406791 565259666 /nfs/dbraw/zinc/25/96/66/565259666.db2.gz SMMHBIINBUADQM-HNNXBMFYSA-N 0 0 380.853 3.175 20 30 GGEDRN CC(C)OCc1nc([C@@H](C)NC(=O)c2ccc(Br)cc2C#N)no1 ZINC000295330099 565259869 /nfs/dbraw/zinc/25/98/69/565259869.db2.gz LTBGMXPVKMZWRS-SNVBAGLBSA-N 0 0 393.241 3.120 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCN(c3ccccc3)C2)c1 ZINC000186399806 565259863 /nfs/dbraw/zinc/25/98/63/565259863.db2.gz ARJAHGVLXBDDID-OAHLLOKOSA-N 0 0 375.881 3.016 20 30 GGEDRN CN(CC(F)(F)Br)C(=O)c1ccc(Br)cc1C#N ZINC000295330582 565259969 /nfs/dbraw/zinc/25/99/69/565259969.db2.gz MSWYHLVVKPEZFF-UHFFFAOYSA-N 0 0 382.002 3.380 20 30 GGEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[S@](=O)C[C@H](C)C1 ZINC000372907911 565260215 /nfs/dbraw/zinc/26/02/15/565260215.db2.gz BMLKXGNCJXVXPK-YDBLSZJJSA-N 0 0 375.412 3.111 20 30 GGEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[S@](=O)C[C@@H](C)C1 ZINC000372907907 565260719 /nfs/dbraw/zinc/26/07/19/565260719.db2.gz BMLKXGNCJXVXPK-VDBVYFBLSA-N 0 0 375.412 3.111 20 30 GGEDRN N#CC1(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)CC1 ZINC000160850357 565261559 /nfs/dbraw/zinc/26/15/59/565261559.db2.gz HHOPBWHNSXRLRM-UHFFFAOYSA-N 0 0 384.233 3.487 20 30 GGEDRN N#Cc1cccc(-c2c[nH]c(CNC(=O)c3cncc(Br)c3)n2)c1 ZINC000372953438 565261654 /nfs/dbraw/zinc/26/16/54/565261654.db2.gz YQBFEQAYPXOTIB-UHFFFAOYSA-N 0 0 382.221 3.036 20 30 GGEDRN CC(C)[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000271644635 565262403 /nfs/dbraw/zinc/26/24/03/565262403.db2.gz GZDUZJFEPQXBBG-OCCSQVGLSA-N 0 0 376.400 3.059 20 30 GGEDRN N#CC1(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)CCOCC1 ZINC000160892939 565262749 /nfs/dbraw/zinc/26/27/49/565262749.db2.gz RIXUFUYKYHAWSR-UHFFFAOYSA-N 0 0 377.160 3.270 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(Cl)sc1Cl ZINC000160912953 565264284 /nfs/dbraw/zinc/26/42/84/565264284.db2.gz JDZOMJRBFKCWAR-VIFPVBQESA-N 0 0 382.276 3.067 20 30 GGEDRN N#C[C@H]1CSCCN1C(=O)c1ccc(Br)cc1Br ZINC000271698754 565264770 /nfs/dbraw/zinc/26/47/70/565264770.db2.gz GXTIGFWQNVNTIG-VIFPVBQESA-N 0 0 390.100 3.293 20 30 GGEDRN Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c(C#N)c1C ZINC000271709539 565264776 /nfs/dbraw/zinc/26/47/76/565264776.db2.gz AOFVCQUESITGFT-XELLLNAOSA-N 0 0 375.519 3.263 20 30 GGEDRN C=C1CCN(S(=O)(=O)c2cc(Br)c(NC(C)=O)cc2C)CC1 ZINC000271699287 565264802 /nfs/dbraw/zinc/26/48/02/565264802.db2.gz NGXSHFYVHIYDAG-UHFFFAOYSA-N 0 0 387.299 3.057 20 30 GGEDRN COc1nc(C)c(Br)cc1C(=O)N(CCC#N)Cc1cccnc1 ZINC000186521604 565265100 /nfs/dbraw/zinc/26/51/00/565265100.db2.gz ZQXIVQOAHDHGJV-UHFFFAOYSA-N 0 0 389.253 3.112 20 30 GGEDRN Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c(C#N)c1C ZINC000271709535 565265210 /nfs/dbraw/zinc/26/52/10/565265210.db2.gz AOFVCQUESITGFT-UOXLDJKESA-N 0 0 375.519 3.263 20 30 GGEDRN N#C[C@@H]1CSCCN1C(=O)COc1ccc(C2SCCCS2)cc1 ZINC000271712634 565265837 /nfs/dbraw/zinc/26/58/37/565265837.db2.gz JUXWTRVBRKEKEL-CQSZACIVSA-N 0 0 380.560 3.402 20 30 GGEDRN C=CCN(C1CC1)S(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C ZINC000271712739 565266309 /nfs/dbraw/zinc/26/63/09/565266309.db2.gz PUJUHMYNMAJQJO-UHFFFAOYSA-N 0 0 387.299 3.055 20 30 GGEDRN Cc1cc(C(=O)N2CCSC[C@@H]2C#N)c2ccc(Br)cc2n1 ZINC000271710242 565266409 /nfs/dbraw/zinc/26/64/09/565266409.db2.gz JLZDRPFFAJBZRR-LBPRGKRZSA-N 0 0 376.279 3.387 20 30 GGEDRN Cc1cc(C(=O)N2CCSC[C@H]2C#N)c2cc(Br)ccc2n1 ZINC000271719169 565266497 /nfs/dbraw/zinc/26/64/97/565266497.db2.gz LCKCWZFKXFSSQC-GFCCVEGCSA-N 0 0 376.279 3.387 20 30 GGEDRN N#C[C@@H]1CSCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000271766849 565267335 /nfs/dbraw/zinc/26/73/35/565267335.db2.gz PWMUXWJGHKYCPC-MRVPVSSYSA-N 0 0 390.646 3.092 20 30 GGEDRN N#C[C@H]1CSCCN1C(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000271768156 565267681 /nfs/dbraw/zinc/26/76/81/565267681.db2.gz WVIKIESSZYVACB-NSHDSACASA-N 0 0 376.894 3.362 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(Cl)c1Cl ZINC000160988393 565267953 /nfs/dbraw/zinc/26/79/53/565267953.db2.gz OKUHFVWNFPKXQC-LLVKDONJSA-N 0 0 376.247 3.006 20 30 GGEDRN COCc1c(Br)cccc1NC(=O)Nc1ccn(CCC#N)n1 ZINC000186587937 565270050 /nfs/dbraw/zinc/27/00/50/565270050.db2.gz JDSZMYDQWDQHNY-UHFFFAOYSA-N 0 0 378.230 3.350 20 30 GGEDRN CCc1nc(CN2CCN(c3ncc(Br)cc3C#N)CC2)cs1 ZINC000295538080 565272538 /nfs/dbraw/zinc/27/25/38/565272538.db2.gz OCKKNPRZQORXOQ-UHFFFAOYSA-N 0 0 392.326 3.057 20 30 GGEDRN N#CCc1cccc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000373148434 565272820 /nfs/dbraw/zinc/27/28/20/565272820.db2.gz WCWGYWWBSNXFKJ-QGZVFWFLSA-N 0 0 398.260 3.050 20 30 GGEDRN N#CCc1ccc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)cc1 ZINC000373164542 565273099 /nfs/dbraw/zinc/27/30/99/565273099.db2.gz OZJZCNWGKVQUHK-KRWDZBQOSA-N 0 0 398.260 3.050 20 30 GGEDRN COc1ccc(Br)c(S(=O)(=O)N[C@H](C#N)C2CCCCC2)c1 ZINC000161152134 565274738 /nfs/dbraw/zinc/27/47/38/565274738.db2.gz ZRVQNDFBLPDUFA-CQSZACIVSA-N 0 0 387.299 3.208 20 30 GGEDRN COc1nc(C)c(Br)cc1C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000186652616 565274971 /nfs/dbraw/zinc/27/49/71/565274971.db2.gz DXZBBULKNDQKEO-UHFFFAOYSA-N 0 0 392.257 3.237 20 30 GGEDRN Cc1cc(NC(=O)NCc2ccc(Br)cc2C)nn1CCC#N ZINC000272057632 565275807 /nfs/dbraw/zinc/27/58/07/565275807.db2.gz IHLDOIQYUVLWGB-UHFFFAOYSA-N 0 0 376.258 3.498 20 30 GGEDRN C=CCN(C(=O)Nc1cc(Cl)c(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000272042866 565275941 /nfs/dbraw/zinc/27/59/41/565275941.db2.gz OVJZVTXKVNHLOH-LLVKDONJSA-N 0 0 393.292 3.209 20 30 GGEDRN N#CCCCCS(=O)(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000272087535 565277263 /nfs/dbraw/zinc/27/72/63/565277263.db2.gz CJHQGEMTLNBEST-GFCCVEGCSA-N 0 0 376.309 3.185 20 30 GGEDRN COCCOc1ncccc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000161231143 565278010 /nfs/dbraw/zinc/27/80/10/565278010.db2.gz DKLOBHIBGBRZNL-OAHLLOKOSA-N 0 0 380.231 3.408 20 30 GGEDRN Cc1cc(NC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)nn1CCC#N ZINC000272126380 565278078 /nfs/dbraw/zinc/27/80/78/565278078.db2.gz UAKDXTHOSMQPEO-CYBMUJFWSA-N 0 0 382.251 3.267 20 30 GGEDRN Cc1cc(NC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)nn1CCC#N ZINC000272122609 565278412 /nfs/dbraw/zinc/27/84/12/565278412.db2.gz SLEINRCAPJVKHT-AWEZNQCLSA-N 0 0 382.251 3.267 20 30 GGEDRN Cc1cc(NC(=O)NCc2ccc(Br)c(F)c2)nn1CCC#N ZINC000272129710 565278637 /nfs/dbraw/zinc/27/86/37/565278637.db2.gz UPEOPFUJEPTQAS-UHFFFAOYSA-N 0 0 380.221 3.329 20 30 GGEDRN CN(C[C@@H](O)C(F)(F)F)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000186697960 565278771 /nfs/dbraw/zinc/27/87/71/565278771.db2.gz JRNMXAABZSKETR-WDEREUQCSA-N 0 0 376.272 3.384 20 30 GGEDRN C=C(C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000161278152 565278887 /nfs/dbraw/zinc/27/88/87/565278887.db2.gz OIIKCXXOVOMMLR-CQSZACIVSA-N 0 0 379.298 3.302 20 30 GGEDRN N#CCOc1ccc(CNS(=O)(=O)C2CCC(C(F)(F)F)CC2)cc1 ZINC000295662653 565279382 /nfs/dbraw/zinc/27/93/82/565279382.db2.gz IKYHBUAZJHYJDF-UHFFFAOYSA-N 0 0 376.400 3.129 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)N2CCc3c(Br)ccc(F)c3C2)c1 ZINC000186703991 565279754 /nfs/dbraw/zinc/27/97/54/565279754.db2.gz LESOJZGFXZZCNG-UHFFFAOYSA-N 0 0 395.253 3.207 20 30 GGEDRN C=C(C)COCCNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000161289566 565280729 /nfs/dbraw/zinc/28/07/29/565280729.db2.gz BKYSMBVTKQKMHK-UHFFFAOYSA-N 0 0 392.855 3.345 20 30 GGEDRN C=CCn1c2ncn(CC(=O)CC[C@@H]3CCCCO3)c(=O)c2sc1=S ZINC000295695172 565281245 /nfs/dbraw/zinc/28/12/45/565281245.db2.gz IQHHKWCGABEUAA-ZDUSSCGKSA-N 0 0 379.507 3.093 20 30 GGEDRN N#C[C@@H]1N(C(=O)c2ccc(Br)cc2O)CCC[C@@]12CCCCO2 ZINC000373379467 565281409 /nfs/dbraw/zinc/28/14/09/565281409.db2.gz WTDXUOLJEBQBLU-RDJZCZTQSA-N 0 0 379.254 3.222 20 30 GGEDRN Cc1cnc([C@H](C)CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000186729026 565281439 /nfs/dbraw/zinc/28/14/39/565281439.db2.gz WNCSVTPYDAKCAT-SECBINFHSA-N 0 0 389.424 3.424 20 30 GGEDRN Cc1cnc([C@@H](C)CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)s1 ZINC000186737700 565282413 /nfs/dbraw/zinc/28/24/13/565282413.db2.gz BWRWFZOMLBEWLB-VIFPVBQESA-N 0 0 389.424 3.424 20 30 GGEDRN N#CCCN(Cc1cccnc1)S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000295701506 565282869 /nfs/dbraw/zinc/28/28/69/565282869.db2.gz FHYGWMJXYHIXEZ-UHFFFAOYSA-N 0 0 375.416 3.248 20 30 GGEDRN FC(F)(F)c1nnc(N2CCN(CC#Cc3ccc(Cl)cc3)CC2)s1 ZINC000186761702 565284301 /nfs/dbraw/zinc/28/43/01/565284301.db2.gz AYEOUBVFWSAWSF-UHFFFAOYSA-N 0 0 386.830 3.384 20 30 GGEDRN CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000373439775 565284991 /nfs/dbraw/zinc/28/49/91/565284991.db2.gz LXGCTCRADWZSFD-MAUKXSAKSA-N 0 0 392.297 3.013 20 30 GGEDRN C=CCN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000161473627 565285220 /nfs/dbraw/zinc/28/52/20/565285220.db2.gz PKPMXELZAMDLKP-CQSZACIVSA-N 0 0 379.298 3.254 20 30 GGEDRN C=CCN(C)C(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000161473489 565285512 /nfs/dbraw/zinc/28/55/12/565285512.db2.gz PKPMXELZAMDLKP-AWEZNQCLSA-N 0 0 379.298 3.254 20 30 GGEDRN N#Cc1cc(Br)ccc1C(=O)N1CCC(CO)(c2ccccc2)CC1 ZINC000295758150 565285980 /nfs/dbraw/zinc/28/59/80/565285980.db2.gz OPUHDYRFNGYQNY-UHFFFAOYSA-N 0 0 399.288 3.487 20 30 GGEDRN COc1cccc(OC)c1C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000161516846 565286737 /nfs/dbraw/zinc/28/67/37/565286737.db2.gz BQKRVDMFHHFIIQ-CYBMUJFWSA-N 0 0 375.222 3.461 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000272373097 565286721 /nfs/dbraw/zinc/28/67/21/565286721.db2.gz GUZJNMROPLYGAU-UHFFFAOYSA-N 0 0 380.242 3.003 20 30 GGEDRN O=C(CNCC(F)(F)F)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000272470989 565288562 /nfs/dbraw/zinc/28/85/62/565288562.db2.gz RRJPYRKQCGUJBG-JTQLQIEISA-N 0 0 380.235 3.160 20 30 GGEDRN C[C@H](C(=O)Nc1cccc(I)c1)N1CCC(C)(C#N)CC1 ZINC000272486987 565288806 /nfs/dbraw/zinc/28/88/06/565288806.db2.gz BTBTVZABVFELKQ-GFCCVEGCSA-N 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CN(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000186938860 565296761 /nfs/dbraw/zinc/29/67/61/565296761.db2.gz RUEJGTCTZQOHKC-UHFFFAOYSA-N 0 0 398.271 3.368 20 30 GGEDRN CSCc1cnc(/C=C/C(=O)c2ccc(OCC(=O)N(C)C)cc2)s1 ZINC000295997713 565297153 /nfs/dbraw/zinc/29/71/53/565297153.db2.gz SDXYBMDGUCMYAG-CMDGGOBGSA-N 0 0 376.503 3.369 20 30 GGEDRN CNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000186950759 565297503 /nfs/dbraw/zinc/29/75/03/565297503.db2.gz HFKMISJUNGEWFQ-UHFFFAOYSA-N 0 0 384.244 3.025 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000272827837 565298516 /nfs/dbraw/zinc/29/85/16/565298516.db2.gz HEYXXRXZGFCYTR-UHFFFAOYSA-N 0 0 384.910 3.103 20 30 GGEDRN C=CCS(=O)(=O)CCN[C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000272830923 565298523 /nfs/dbraw/zinc/29/85/23/565298523.db2.gz HUOVUOVUYUTECS-MRXNPFEDSA-N 0 0 384.295 3.322 20 30 GGEDRN Cc1cc(C)n(C[C@H]2CN(c3ccc(Br)cc3C#N)CCO2)n1 ZINC000272836657 565299273 /nfs/dbraw/zinc/29/92/73/565299273.db2.gz LXZUJKRKCUAVBN-MRXNPFEDSA-N 0 0 375.270 3.040 20 30 GGEDRN C=CCS(=O)(=O)CCNCc1csc(COc2ccc(Cl)cc2)n1 ZINC000272838456 565299769 /nfs/dbraw/zinc/29/97/69/565299769.db2.gz MILDQUXRIAWIJV-UHFFFAOYSA-N 0 0 386.926 3.066 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC000272890842 565301318 /nfs/dbraw/zinc/30/13/18/565301318.db2.gz SOBLJVYWOBNUMY-UHFFFAOYSA-N 0 0 396.559 3.074 20 30 GGEDRN N#Cc1c(F)cccc1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000186997563 565301881 /nfs/dbraw/zinc/30/18/81/565301881.db2.gz JCUWNHBDDWVGKN-UHFFFAOYSA-N 0 0 390.212 3.218 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000272941830 565301995 /nfs/dbraw/zinc/30/19/95/565301995.db2.gz IRIXNQNOTQKCEM-UHFFFAOYSA-N 0 0 384.548 3.122 20 30 GGEDRN CC(C)(CC#N)CS(=O)(=O)NCc1csc(CCc2ccccc2)n1 ZINC000296099240 565302029 /nfs/dbraw/zinc/30/20/29/565302029.db2.gz DJRARIBTDZQPKU-UHFFFAOYSA-N 0 0 377.535 3.288 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)N(CCC)Cc1c(F)cccc1Cl ZINC000272913579 565302352 /nfs/dbraw/zinc/30/23/52/565302352.db2.gz DVYZJOFUCMBTFU-UHFFFAOYSA-N 0 0 376.881 3.002 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000272953200 565303470 /nfs/dbraw/zinc/30/34/70/565303470.db2.gz KHVBOGACXRQRTI-LLVKDONJSA-N 0 0 379.309 3.297 20 30 GGEDRN Cc1sc(NC(=O)CN2CCSC[C@@H]2c2nccs2)c(C#N)c1C ZINC000187025965 565304008 /nfs/dbraw/zinc/30/40/08/565304008.db2.gz FOOPJADKQWWEPL-CYBMUJFWSA-N 0 0 378.548 3.422 20 30 GGEDRN C=CCOc1ccccc1CN[C@H](C(N)=O)c1cccc(Br)c1 ZINC000162098781 565305667 /nfs/dbraw/zinc/30/56/67/565305667.db2.gz KNYFXDNXLQNKAJ-KRWDZBQOSA-N 0 0 375.266 3.330 20 30 GGEDRN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)s2)cc1OC ZINC000373820625 565305822 /nfs/dbraw/zinc/30/58/22/565305822.db2.gz XOUHDCAOWKYPLI-AWEZNQCLSA-N 0 0 378.475 3.163 20 30 GGEDRN C#CCNC(=O)CCSc1nnc(COc2ccc(Cl)cc2Cl)o1 ZINC000296178815 565305965 /nfs/dbraw/zinc/30/59/65/565305965.db2.gz NWEANAFLAKPGKK-UHFFFAOYSA-N 0 0 386.260 3.187 20 30 GGEDRN COc1cccc(F)c1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000187052984 565305998 /nfs/dbraw/zinc/30/59/98/565305998.db2.gz ZYGAHZXFGZGGSJ-UHFFFAOYSA-N 0 0 385.214 3.269 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)c1oc(Br)cc1C ZINC000273059174 565305990 /nfs/dbraw/zinc/30/59/90/565305990.db2.gz DWMVWDFMEXTPOZ-UHFFFAOYSA-N 0 0 379.210 3.500 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000273064061 565306120 /nfs/dbraw/zinc/30/61/20/565306120.db2.gz UAHOEUKZRNIDNJ-QGZVFWFLSA-N 0 0 376.503 3.131 20 30 GGEDRN N#Cc1ccc(Cl)cc1NC(=O)CN1CCSC[C@H]1c1nccs1 ZINC000187059353 565306221 /nfs/dbraw/zinc/30/62/21/565306221.db2.gz JEXLLWPWMYZLJH-AWEZNQCLSA-N 0 0 378.910 3.397 20 30 GGEDRN C[C@@H](CN(C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1nccs1 ZINC000273090221 565306502 /nfs/dbraw/zinc/30/65/02/565306502.db2.gz MNUAIIUPFWJSAS-JTQLQIEISA-N 0 0 389.424 3.458 20 30 GGEDRN CC(C)(CC#N)CS(=O)(=O)Oc1c(Br)cccc1[N+](=O)[O-] ZINC000296209890 565306758 /nfs/dbraw/zinc/30/67/58/565306758.db2.gz JNVYOZRCWWIIPG-UHFFFAOYSA-N 0 0 377.216 3.006 20 30 GGEDRN C=CCNc1nnc(S[C@H](C(N)=O)c2cccc(Br)c2)s1 ZINC000162177788 565307600 /nfs/dbraw/zinc/30/76/00/565307600.db2.gz WSDXUHVIBUHKNR-JTQLQIEISA-N 0 0 385.312 3.217 20 30 GGEDRN N#C[C@H](NC(=O)COCCOc1ccccc1)c1cccc(Br)c1 ZINC000162185713 565308338 /nfs/dbraw/zinc/30/83/38/565308338.db2.gz SBFZEPKIENTYHW-KRWDZBQOSA-N 0 0 389.249 3.226 20 30 GGEDRN COc1cc(OC)cc(C(=O)N[C@H](C#N)c2cccc(Br)c2)c1 ZINC000162194405 565309000 /nfs/dbraw/zinc/30/90/00/565309000.db2.gz UTZIHNFPKMYSGS-MRXNPFEDSA-N 0 0 375.222 3.461 20 30 GGEDRN N#CC1(NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCSCC1 ZINC000162186528 565309055 /nfs/dbraw/zinc/30/90/55/565309055.db2.gz XRDKYQUIAZZKPP-GFCCVEGCSA-N 0 0 398.315 3.252 20 30 GGEDRN COc1ccc(OCC(=O)N[C@H](C#N)c2cccc(Br)c2)cc1 ZINC000162217718 565309823 /nfs/dbraw/zinc/30/98/23/565309823.db2.gz UFGOPQCQOVTZRY-MRXNPFEDSA-N 0 0 375.222 3.218 20 30 GGEDRN CC(C)(CC#N)CS(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Br ZINC000296269554 565309907 /nfs/dbraw/zinc/30/99/07/565309907.db2.gz OKDBGWDYGFQVGA-UHFFFAOYSA-N 0 0 377.216 3.006 20 30 GGEDRN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCCC#N ZINC000273157461 565310836 /nfs/dbraw/zinc/31/08/36/565310836.db2.gz SOZHHXBMDISSBS-AWEZNQCLSA-N 0 0 388.320 3.265 20 30 GGEDRN C[C@@H](NS(=O)(=O)CC(C)(C)CC#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000296299436 565311455 /nfs/dbraw/zinc/31/14/55/565311455.db2.gz NMSMJKNNAXEPBL-LLVKDONJSA-N 0 0 382.873 3.310 20 30 GGEDRN Cc1ccc(O[C@H](C)C(=O)NC2(C#N)CCSCC2)c(Br)c1 ZINC000162322423 565312673 /nfs/dbraw/zinc/31/26/73/565312673.db2.gz RZGFBQZPIZAREI-GFCCVEGCSA-N 0 0 383.311 3.430 20 30 GGEDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000162380861 565314699 /nfs/dbraw/zinc/31/46/99/565314699.db2.gz ULRPQXRNBPGEHS-AWEZNQCLSA-N 0 0 390.193 3.361 20 30 GGEDRN N#C[C@@H](NC(=O)c1cccnc1OCC(F)F)c1cccc(Br)c1 ZINC000162378027 565315030 /nfs/dbraw/zinc/31/50/30/565315030.db2.gz GOQANTCPMXRTFO-CYBMUJFWSA-N 0 0 396.191 3.483 20 30 GGEDRN CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000162413986 565315811 /nfs/dbraw/zinc/31/58/11/565315811.db2.gz NUUDVFNNKYIULN-JKSUJKDBSA-N 0 0 392.297 3.311 20 30 GGEDRN COCCOc1ccccc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000162386558 565316279 /nfs/dbraw/zinc/31/62/79/565316279.db2.gz RUFNIAJLXLHERI-INIZCTEOSA-N 0 0 389.249 3.469 20 30 GGEDRN N#CCC1(CNC(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000374017131 565316572 /nfs/dbraw/zinc/31/65/72/565316572.db2.gz IWBKCNQWEVRRTG-HNNXBMFYSA-N 0 0 396.260 3.365 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)c2cnn(C)c2Br)cc1 ZINC000273301597 565316829 /nfs/dbraw/zinc/31/68/29/565316829.db2.gz ZVVBWEJPGBTPCW-UHFFFAOYSA-N 0 0 377.242 3.142 20 30 GGEDRN C[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@H](c2ccsc2)O1 ZINC000296429787 565316846 /nfs/dbraw/zinc/31/68/46/565316846.db2.gz VIPLXMVTSVFCHQ-YVEFUNNKSA-N 0 0 380.466 3.051 20 30 GGEDRN N#CC1(NC(=O)COc2ccc(Br)cc2Cl)CCSCC1 ZINC000162504134 565318355 /nfs/dbraw/zinc/31/83/55/565318355.db2.gz 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PNYPJRJKCLTQEV-UHFFFAOYSA-N 0 0 383.311 3.296 20 30 GGEDRN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N[C@@]2(C#N)CCSC2)c1 ZINC000162688155 565324802 /nfs/dbraw/zinc/32/48/02/565324802.db2.gz YAEKARWYKNXEMK-QGZVFWFLSA-N 0 0 380.901 3.389 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)N2CCc3ccc(Br)cc32)c1 ZINC000162711614 565325359 /nfs/dbraw/zinc/32/53/59/565325359.db2.gz FBVGYVNAIKOTJQ-UHFFFAOYSA-N 0 0 395.253 3.352 20 30 GGEDRN N#CC1(NC(=O)Cc2c[nH]c3cccc(Br)c23)CCSCC1 ZINC000162705294 565325750 /nfs/dbraw/zinc/32/57/50/565325750.db2.gz JNAYWAFAKVOOEP-UHFFFAOYSA-N 0 0 378.295 3.378 20 30 GGEDRN C[C@H]1C[C@@H](CCNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000273619087 565327416 /nfs/dbraw/zinc/32/74/16/565327416.db2.gz VNVYJRJJIHFXJA-RYUDHWBXSA-N 0 0 376.400 3.061 20 30 GGEDRN C[C@@H]1C[C@H](CCNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000273619088 565327428 /nfs/dbraw/zinc/32/74/28/565327428.db2.gz VNVYJRJJIHFXJA-VXGBXAGGSA-N 0 0 376.400 3.061 20 30 GGEDRN C=C(C)COCCNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 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CC(C)(CC#N)CS(=O)(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000296688357 565329749 /nfs/dbraw/zinc/32/97/49/565329749.db2.gz JLBUZXTVEYHUBO-UHFFFAOYSA-N 0 0 384.929 3.247 20 30 GGEDRN N#CC1(c2ccccn2)CCN(C[C@H](O)c2cccc(Br)c2)CC1 ZINC000374294453 565330080 /nfs/dbraw/zinc/33/00/80/565330080.db2.gz RYSLMNMYMXIQCW-KRWDZBQOSA-N 0 0 386.293 3.435 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)N2CCSC[C@H]2c2ccccc2)c1 ZINC000162916396 565331035 /nfs/dbraw/zinc/33/10/35/565331035.db2.gz ZRASAGIGGBEBQC-SFHVURJKSA-N 0 0 376.478 3.317 20 30 GGEDRN C[C@@H](NCc1ccc(Cl)cc1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000187420198 565331528 /nfs/dbraw/zinc/33/15/28/565331528.db2.gz RRMGSMLAXAMLFS-CYBMUJFWSA-N 0 0 377.897 3.313 20 30 GGEDRN N#Cc1cc(Br)cc(S(=O)(=O)N2CCc3cccc(F)c3C2)c1 ZINC000163013947 565333868 /nfs/dbraw/zinc/33/38/68/565333868.db2.gz GLGFGTSMIUQPGS-UHFFFAOYSA-N 0 0 395.253 3.207 20 30 GGEDRN Cc1cc(Br)oc1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000374354142 565333866 /nfs/dbraw/zinc/33/38/66/565333866.db2.gz 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/nfs/dbraw/zinc/33/89/58/565338958.db2.gz KVZHAXGBNDEDMP-CYBMUJFWSA-N 0 0 377.491 3.455 20 30 GGEDRN C[C@@H](C(=O)Nc1nc2n(c1C#N)CCS2)c1ccc(Br)cc1 ZINC000163226105 565339935 /nfs/dbraw/zinc/33/99/35/565339935.db2.gz ZTFJBQCVFBBLGP-SECBINFHSA-N 0 0 377.267 3.365 20 30 GGEDRN COC[C@H]1CCCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000374457493 565340008 /nfs/dbraw/zinc/34/00/08/565340008.db2.gz DWUPMZSMNUMKIU-LBPRGKRZSA-N 0 0 376.400 3.014 20 30 GGEDRN Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000374458224 565340359 /nfs/dbraw/zinc/34/03/59/565340359.db2.gz YSWCYTUOAQMVDG-UHFFFAOYSA-N 0 0 375.881 3.290 20 30 GGEDRN COC[C@@H]1CCCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000374457492 565340539 /nfs/dbraw/zinc/34/05/39/565340539.db2.gz DWUPMZSMNUMKIU-GFCCVEGCSA-N 0 0 376.400 3.014 20 30 GGEDRN COc1ccc(Cc2noc(C3(C#N)CCC3)n2)c(Br)c1OC ZINC000273860705 565341495 /nfs/dbraw/zinc/34/14/95/565341495.db2.gz MRYXOHJWFRZRHQ-UHFFFAOYSA-N 0 0 378.226 3.385 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCC(C#N)(c3ccccn3)CC2)c(Cl)c1 ZINC000374464793 565341612 /nfs/dbraw/zinc/34/16/12/565341612.db2.gz NBWCTKYNLNQWSQ-UHFFFAOYSA-N 0 0 375.881 3.290 20 30 GGEDRN N#CC1(c2ccccn2)CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000374459459 565341733 /nfs/dbraw/zinc/34/17/33/565341733.db2.gz QUIPRFNJJVLCOH-UHFFFAOYSA-N 0 0 379.844 3.120 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000163351791 565344189 /nfs/dbraw/zinc/34/41/89/565344189.db2.gz MUVOFYYCOCYPBD-DLBZAZTESA-N 0 0 376.865 3.410 20 30 GGEDRN C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]1c1ccccc1Br ZINC000374581385 565346096 /nfs/dbraw/zinc/34/60/96/565346096.db2.gz ABMVOUYSEVDEFQ-IUODEOHRSA-N 0 0 386.315 3.065 20 30 GGEDRN CC(C)(C#N)c1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 ZINC000273929927 565346181 /nfs/dbraw/zinc/34/61/81/565346181.db2.gz SHJZPFGXISQVGT-UHFFFAOYSA-N 0 0 378.226 3.385 20 30 GGEDRN COc1cc(Br)c(C(=O)Nc2cc(C)n(CCC#N)n2)cc1OC ZINC000296931274 565346470 /nfs/dbraw/zinc/34/64/70/565346470.db2.gz BDRXSNUHXUFKDA-UHFFFAOYSA-N 0 0 393.241 3.137 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000163526845 565347715 /nfs/dbraw/zinc/34/77/15/565347715.db2.gz GVGLNZOTAPOZCV-WBMJQRKESA-N 0 0 382.819 3.465 20 30 GGEDRN COc1ccc(Br)c(CC(=O)N(CCC#N)CC(F)(F)F)c1 ZINC000163593757 565348576 /nfs/dbraw/zinc/34/85/76/565348576.db2.gz RTIWLHMGSLYCDD-UHFFFAOYSA-N 0 0 379.176 3.305 20 30 GGEDRN C=CCNC(=O)N(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000187676082 565348973 /nfs/dbraw/zinc/34/89/73/565348973.db2.gz ACKAKWNAQSDSFK-AWEZNQCLSA-N 0 0 383.286 3.334 20 30 GGEDRN C#C[C@H](C)N1C(=O)[C@@H](CC(=O)NC)S/C1=N\c1ccc(Cl)c(Cl)c1 ZINC000187699269 565349566 /nfs/dbraw/zinc/34/95/66/565349566.db2.gz CDGBVQMUFPQAKZ-YPXHZZQCSA-N 0 0 384.288 3.083 20 30 GGEDRN C#C[C@H](C)N1C(=O)[C@H](CC(=O)NC)S/C1=N\c1ccc(Cl)cc1Cl ZINC000187706265 565349900 /nfs/dbraw/zinc/34/99/00/565349900.db2.gz JEHFZEPILIHSGI-LVDXZYNXSA-N 0 0 384.288 3.083 20 30 GGEDRN C#C[C@H](C)N1C(=O)[C@@H](CC(=O)NC)S/C1=N\c1ccc(Cl)cc1Cl ZINC000187706303 565350364 /nfs/dbraw/zinc/35/03/64/565350364.db2.gz JEHFZEPILIHSGI-YPXHZZQCSA-N 0 0 384.288 3.083 20 30 GGEDRN C#C[C@H](C)N1C(=O)[C@@H](CC(=O)NC)S/C1=N\c1cc(Cl)cc(Cl)c1 ZINC000187718846 565350854 /nfs/dbraw/zinc/35/08/54/565350854.db2.gz CIKROUBJTVOJRO-YPXHZZQCSA-N 0 0 384.288 3.083 20 30 GGEDRN N#CCCN(Cc1cccnc1)C(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000163750297 565351034 /nfs/dbraw/zinc/35/10/34/565351034.db2.gz ANFIKLJGNSCAON-UHFFFAOYSA-N 0 0 377.231 3.269 20 30 GGEDRN N#CCCN(Cc1cccnc1)C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000163750837 565351177 /nfs/dbraw/zinc/35/11/77/565351177.db2.gz ZJUYPAGLZIYGGB-UHFFFAOYSA-N 0 0 377.231 3.269 20 30 GGEDRN C[C@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)c2cc(Cl)ccc2O1 ZINC000163951312 565353392 /nfs/dbraw/zinc/35/33/92/565353392.db2.gz GLEQTCOESQNVDA-NSHDSACASA-N 0 0 380.828 3.468 20 30 GGEDRN C[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)Oc1ccc(Cl)cc1 ZINC000163955458 565354161 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565413063 /nfs/dbraw/zinc/41/30/63/565413063.db2.gz BCUSFGZLIMUDMY-ZDUSSCGKSA-N 0 0 388.320 3.185 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)NCc3ccc(Cl)s3)CC2)c(F)c1 ZINC000171181193 565415850 /nfs/dbraw/zinc/41/58/50/565415850.db2.gz GTUWRIAKHSDBGG-UHFFFAOYSA-N 0 0 378.860 3.444 20 30 GGEDRN CSc1nn(-c2ccccc2)c(NC(=O)[C@@H]2CSCCS2)c1C#N ZINC000275526829 565416245 /nfs/dbraw/zinc/41/62/45/565416245.db2.gz XMKZUMDRYBENCV-ZDUSSCGKSA-N 0 0 376.532 3.253 20 30 GGEDRN N#CCC1(O)CN(C(=O)c2ccccc2Oc2cccc(Br)c2)C1 ZINC000188681194 565416327 /nfs/dbraw/zinc/41/63/27/565416327.db2.gz GIVYVNCWJSYFKT-UHFFFAOYSA-N 0 0 387.233 3.342 20 30 GGEDRN CCN(CCC#N)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000275567100 565417737 /nfs/dbraw/zinc/41/77/37/565417737.db2.gz AKZIOWOAJNLMHQ-UHFFFAOYSA-N 0 0 393.068 3.457 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC(OCc3ccc(F)cc3)CC2)s1 ZINC000376009717 565417990 /nfs/dbraw/zinc/41/79/90/565417990.db2.gz YGEVOTBQIFTYFE-UHFFFAOYSA-N 0 0 380.466 3.129 20 30 GGEDRN Cc1oc(C#N)cc1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000376003049 565418383 /nfs/dbraw/zinc/41/83/83/565418383.db2.gz HWZQYHVMTDPUSB-ZDUSSCGKSA-N 0 0 388.265 3.479 20 30 GGEDRN C=CCOc1c(Br)cc(CN2CC([C@@H]3CCOC3)C2)cc1OC ZINC000376021366 565419612 /nfs/dbraw/zinc/41/96/12/565419612.db2.gz LLYGXYVUMUUGTD-CQSZACIVSA-N 0 0 382.298 3.491 20 30 GGEDRN O=C(CCOCC(F)(F)C(F)F)Nc1ccc(OCC(F)(F)F)nc1 ZINC000188746972 565420331 /nfs/dbraw/zinc/42/03/31/565420331.db2.gz MQPZVROKOCLEDI-UHFFFAOYSA-N 0 0 378.244 3.268 20 30 GGEDRN C[C@@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)cn1 ZINC000298595021 565421679 /nfs/dbraw/zinc/42/16/79/565421679.db2.gz RZNQJHYLANXTSN-PXAZEXFGSA-N 0 0 385.265 3.172 20 30 GGEDRN C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000275664258 565423052 /nfs/dbraw/zinc/42/30/52/565423052.db2.gz IJERLYDNSOTANH-QMMMGPOBSA-N 0 0 392.175 3.024 20 30 GGEDRN C=CCCCCNS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000275748877 565426028 /nfs/dbraw/zinc/42/60/28/565426028.db2.gz IPSBMHBISVAKGZ-UHFFFAOYSA-N 0 0 375.288 3.042 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NC2(c3cccc(Br)c3)CCC2)cc1 ZINC000171324732 565426049 /nfs/dbraw/zinc/42/60/49/565426049.db2.gz DDIQYOFPIJMCQL-UHFFFAOYSA-N 0 0 398.260 3.455 20 30 GGEDRN C[C@@H](N[C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Br)cn1 ZINC000298698183 565426353 /nfs/dbraw/zinc/42/63/53/565426353.db2.gz ZSEUHDWFLKHTON-YGRLFVJLSA-N 0 0 391.294 3.233 20 30 GGEDRN Cc1ccc(Cc2cnc(NC(=O)C(=O)NCCCC#N)s2)cc1Cl ZINC000298734470 565427214 /nfs/dbraw/zinc/42/72/14/565427214.db2.gz VLSFEIIZQZHVNM-UHFFFAOYSA-N 0 0 376.869 3.054 20 30 GGEDRN Cc1cc([C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2C#N)no1 ZINC000376249546 565428725 /nfs/dbraw/zinc/42/87/25/565428725.db2.gz XXLZXSMAQNEXFQ-CQSZACIVSA-N 0 0 396.266 3.143 20 30 GGEDRN C[C@@H](CC(=O)N[C@H](C#N)c1cccc(Br)c1)NC(=O)C1CCCC1 ZINC000171406281 565429063 /nfs/dbraw/zinc/42/90/63/565429063.db2.gz HUMIIFCSZMWJJJ-BLLLJJGKSA-N 0 0 392.297 3.215 20 30 GGEDRN COc1cc(Br)c(S(=O)(=O)N(C)C(C)(C)C#N)cc1Cl ZINC000275828464 565429463 /nfs/dbraw/zinc/42/94/63/565429463.db2.gz SDIOAPSQRJDTAL-UHFFFAOYSA-N 0 0 381.679 3.034 20 30 GGEDRN N#C[C@H](NC(=O)c1ccc(N2CCCC2)nc1)c1cccc(Br)c1 ZINC000171406295 565430775 /nfs/dbraw/zinc/43/07/75/565430775.db2.gz WCWXBTUURVHBPP-INIZCTEOSA-N 0 0 385.265 3.439 20 30 GGEDRN Cc1nc(CNS(=O)(=O)c2ccc(C#N)o2)oc1-c1ccc(Cl)cc1 ZINC000376328661 565431801 /nfs/dbraw/zinc/43/18/01/565431801.db2.gz UQGAANUNXPWBFH-UHFFFAOYSA-N 0 0 377.809 3.247 20 30 GGEDRN O=S(=O)(OCC(F)(F)C(F)F)c1cc(Br)cnc1Cl ZINC000298852717 565432217 /nfs/dbraw/zinc/43/22/17/565432217.db2.gz MPEHXDLCVHCHLG-UHFFFAOYSA-N 0 0 386.548 3.103 20 30 GGEDRN N#C[C@@H]1N(S(=O)(=O)c2c(Cl)ccc(F)c2F)CCC[C@@]12CCCCO2 ZINC000376344146 565432322 /nfs/dbraw/zinc/43/23/22/565432322.db2.gz OJBWZHQUBIDTDV-BBRMVZONSA-N 0 0 390.839 3.234 20 30 GGEDRN COC(=O)Cc1cccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 ZINC000188921682 565433269 /nfs/dbraw/zinc/43/32/69/565433269.db2.gz FYGBFYFTQMVNFY-INIZCTEOSA-N 0 0 387.233 3.159 20 30 GGEDRN N#Cc1ccc(C2=CCN(S(=O)(=O)c3cnc(Cl)c(F)c3)CC2)cc1 ZINC000376383908 565433433 /nfs/dbraw/zinc/43/34/33/565433433.db2.gz OZXBJVLBBNNLSR-UHFFFAOYSA-N 0 0 377.828 3.224 20 30 GGEDRN N#CCCCCNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000171474981 565434146 /nfs/dbraw/zinc/43/41/46/565434146.db2.gz NWDQLPWQWHDXNZ-UHFFFAOYSA-N 0 0 392.175 3.216 20 30 GGEDRN N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(N2CCCC2)s1 ZINC000299034480 565436466 /nfs/dbraw/zinc/43/64/66/565436466.db2.gz KOKRKHVVIXXTNZ-UHFFFAOYSA-N 0 0 379.898 3.394 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000189016104 565437257 /nfs/dbraw/zinc/43/72/57/565437257.db2.gz HEYZGRMJNHFDIA-HNNXBMFYSA-N 0 0 380.794 3.478 20 30 GGEDRN N#Cc1cn(Cc2cc3c(cc2Br)OCO3)c2ccccc2c1=O ZINC000171555600 565437245 /nfs/dbraw/zinc/43/72/45/565437245.db2.gz PRKIWYVUQJNRDR-UHFFFAOYSA-N 0 0 383.201 3.413 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000189016125 565438030 /nfs/dbraw/zinc/43/80/30/565438030.db2.gz HEYZGRMJNHFDIA-OAHLLOKOSA-N 0 0 380.794 3.478 20 30 GGEDRN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cc(C#N)ccc1Cl ZINC000189033884 565439058 /nfs/dbraw/zinc/43/90/58/565439058.db2.gz MCTRRGTXSIKYLN-UHFFFAOYSA-N 0 0 384.816 3.177 20 30 GGEDRN CN([C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)S(=O)(=O)c1cccc(C#N)c1 ZINC000189051398 565440277 /nfs/dbraw/zinc/44/02/77/565440277.db2.gz BNOIPXWGRMEYBZ-IRXDYDNUSA-N 0 0 397.283 3.144 20 30 GGEDRN CN([C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)S(=O)(=O)c1ccc(C#N)cc1 ZINC000189050312 565440350 /nfs/dbraw/zinc/44/03/50/565440350.db2.gz OPGWLDNTYFCDOQ-DLBZAZTESA-N 0 0 397.283 3.144 20 30 GGEDRN N#Cc1cc(I)c(OCC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000189110345 565444014 /nfs/dbraw/zinc/44/40/14/565444014.db2.gz JHSHQPCVEWKMPC-JTQLQIEISA-N 0 0 388.161 3.019 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1c(C)cc(Br)cc1Cl ZINC000189112990 565444419 /nfs/dbraw/zinc/44/44/19/565444419.db2.gz OMKPDNJEUXTIEP-VIFPVBQESA-N 0 0 386.677 3.358 20 30 GGEDRN N#Cc1ccnc(N2CCOc3c(Br)cccc3C2)c1[N+](=O)[O-] ZINC000376670040 565447813 /nfs/dbraw/zinc/44/78/13/565447813.db2.gz FVOAKLORVXNUGJ-UHFFFAOYSA-N 0 0 375.182 3.023 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCc3occc32)cc1Br ZINC000376688394 565449195 /nfs/dbraw/zinc/44/91/95/565449195.db2.gz OYSZVZSQICLMAY-CQSZACIVSA-N 0 0 388.221 3.046 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccncc2)cc1Br ZINC000376686258 565449229 /nfs/dbraw/zinc/44/92/29/565449229.db2.gz IQGYLKPWEFOZAE-INIZCTEOSA-N 0 0 399.248 3.018 20 30 GGEDRN Cc1cc(Br)cc(NC(=O)C(=O)N(CCC#N)Cc2ccco2)c1 ZINC000189185066 565450242 /nfs/dbraw/zinc/45/02/42/565450242.db2.gz BEPZDKNEOJWYKM-UHFFFAOYSA-N 0 0 390.237 3.232 20 30 GGEDRN COc1cc(Br)ccc1CCCNC(=O)c1ccc(C#N)c(O)c1 ZINC000189202841 565451582 /nfs/dbraw/zinc/45/15/82/565451582.db2.gz LCDUUXQVCJQPPR-UHFFFAOYSA-N 0 0 389.249 3.398 20 30 GGEDRN CCOc1cc(Br)c(CC(=O)NC2(C#N)CCC2)cc1OCC ZINC000299477740 565452047 /nfs/dbraw/zinc/45/20/47/565452047.db2.gz APOVUETVRONJTA-UHFFFAOYSA-N 0 0 381.270 3.351 20 30 GGEDRN C=CCCO[C@@H](C)C(=O)Nc1cc(OC)ccc1I ZINC000299505236 565453343 /nfs/dbraw/zinc/45/33/43/565453343.db2.gz UUAVSWYZMLZWKS-JTQLQIEISA-N 0 0 375.206 3.220 20 30 GGEDRN C=CCCO[C@H](C)C(=O)Nc1cc(OC)ccc1I ZINC000299505241 565453480 /nfs/dbraw/zinc/45/34/80/565453480.db2.gz UUAVSWYZMLZWKS-SNVBAGLBSA-N 0 0 375.206 3.220 20 30 GGEDRN C[C@H](C#N)CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000171844676 565453818 /nfs/dbraw/zinc/45/38/18/565453818.db2.gz KQWTWZVIWYRDSR-GFCCVEGCSA-N 0 0 377.853 3.030 20 30 GGEDRN C[C@@H](C#N)CNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000171844672 565453906 /nfs/dbraw/zinc/45/39/06/565453906.db2.gz FLACDLGYXJBPKT-LBPRGKRZSA-N 0 0 377.853 3.030 20 30 GGEDRN C/C(=N\OCc1noc(Cc2ccc(Br)cc2)n1)c1cnn(C)c1 ZINC000171891351 565456245 /nfs/dbraw/zinc/45/62/45/565456245.db2.gz YPCKVUOMKDJYBP-RGVLZGJSSA-N 0 0 390.241 3.097 20 30 GGEDRN N#Cc1ccc(CC(=O)N[C@H]2CCN(c3ccccc3Br)C2)cc1 ZINC000171921846 565457813 /nfs/dbraw/zinc/45/78/13/565457813.db2.gz CLFVWZGHMIUKOO-INIZCTEOSA-N 0 0 384.277 3.258 20 30 GGEDRN C=CCn1c(SCCCCCS(=O)(=O)CC)nnc1-c1ccccn1 ZINC000276702455 565457903 /nfs/dbraw/zinc/45/79/03/565457903.db2.gz XLUUFHOTAUYENE-UHFFFAOYSA-N 0 0 380.539 3.223 20 30 GGEDRN C[C@@H](C#N)CN(C)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000299659140 565458243 /nfs/dbraw/zinc/45/82/43/565458243.db2.gz UCGGMBFJFJWSCC-VIFPVBQESA-N 0 0 376.201 3.352 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCSCC[C@@H]1C ZINC000276800885 565460853 /nfs/dbraw/zinc/46/08/53/565460853.db2.gz QVAUDXXQJIRXTE-KBPBESRZSA-N 0 0 377.535 3.373 20 30 GGEDRN N#C[C@@H](NC(=O)c1cc(N2CCCC2)ccn1)c1cccc(Br)c1 ZINC000189365587 565461824 /nfs/dbraw/zinc/46/18/24/565461824.db2.gz GMCLFGNYLJFSMB-QGZVFWFLSA-N 0 0 385.265 3.439 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCSCC[C@@H]1C ZINC000276810188 565462047 /nfs/dbraw/zinc/46/20/47/565462047.db2.gz SRDMZHRYOZNOQT-KBPBESRZSA-N 0 0 377.535 3.231 20 30 GGEDRN Cc1nnc(N2CCN(Cc3ccc(Br)cc3)CC2)c(C#N)c1C ZINC000301075618 565462314 /nfs/dbraw/zinc/46/23/14/565462314.db2.gz CWECYBLDKUTZCF-UHFFFAOYSA-N 0 0 386.297 3.050 20 30 GGEDRN N#Cc1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000301067331 565462476 /nfs/dbraw/zinc/46/24/76/565462476.db2.gz CXUJCJWYLALZDF-UHFFFAOYSA-N 0 0 396.299 3.376 20 30 GGEDRN N#Cc1cc(F)c(NCCNC(=O)c2ccc(Br)cc2)c(F)c1 ZINC000301071858 565462995 /nfs/dbraw/zinc/46/29/95/565462995.db2.gz BWKDRCUGAGVSGS-UHFFFAOYSA-N 0 0 380.192 3.441 20 30 GGEDRN CN(C(=O)NCC(C)(C)CCC#N)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000377041088 565464240 /nfs/dbraw/zinc/46/42/40/565464240.db2.gz GLIWWMYDNRCHGO-AWEZNQCLSA-N 0 0 383.901 3.140 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccoc3Br)C2)c(F)c1 ZINC000377060926 565465319 /nfs/dbraw/zinc/46/53/19/565465319.db2.gz IXAJCVOYRBZDCZ-LBPRGKRZSA-N 0 0 392.228 3.452 20 30 GGEDRN COC(=O)c1ccc(N2CCN(c3snc(Cl)c3C#N)[C@H](C)C2)cc1 ZINC000301134338 565465716 /nfs/dbraw/zinc/46/57/16/565465716.db2.gz XECBXVXJKRDUJU-LLVKDONJSA-N 0 0 376.869 3.170 20 30 GGEDRN CCOc1cc(Cn2c(C)c(Br)cc(C#N)c2=O)ccc1[N+](=O)[O-] ZINC000276905848 565466697 /nfs/dbraw/zinc/46/66/97/565466697.db2.gz MKPUONHBQVRARG-UHFFFAOYSA-N 0 0 392.209 3.146 20 30 GGEDRN N#Cc1cccc(Cl)c1N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000301158472 565468464 /nfs/dbraw/zinc/46/84/64/565468464.db2.gz BETZMKBVVODMGU-UHFFFAOYSA-N 0 0 381.910 3.220 20 30 GGEDRN CC(C)(CCC#N)CNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000377170618 565468738 /nfs/dbraw/zinc/46/87/38/565468738.db2.gz XIPRYSKMQIKPER-ZDUSSCGKSA-N 0 0 392.297 3.248 20 30 GGEDRN CC(C)(CCC#N)CNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000377154841 565468923 /nfs/dbraw/zinc/46/89/23/565468923.db2.gz WZTYPQHZVWWDFZ-HNNXBMFYSA-N 0 0 392.297 3.248 20 30 GGEDRN N#Cc1ccc(Cl)cc1N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000301171361 565469298 /nfs/dbraw/zinc/46/92/98/565469298.db2.gz GOTMXISHLIQILO-UHFFFAOYSA-N 0 0 381.910 3.220 20 30 GGEDRN Cc1cc(Br)ccc1NC(=O)CNc1nc2ccccn2c1C#N ZINC000301162864 565469352 /nfs/dbraw/zinc/46/93/52/565469352.db2.gz QCQOBVUOFJYLRR-UHFFFAOYSA-N 0 0 384.237 3.328 20 30 GGEDRN COc1c(C)cnc(CN(C)S(=O)(=O)c2cccc(Cl)c2C#N)c1C ZINC000172162576 565469655 /nfs/dbraw/zinc/46/96/55/565469655.db2.gz KIRGZVYVOBBVNF-UHFFFAOYSA-N 0 0 379.869 3.053 20 30 GGEDRN Cc1cccc(CNC(=O)C(=O)Nc2cc(C#N)ccc2C)c1Br ZINC000189530616 565471750 /nfs/dbraw/zinc/47/17/50/565471750.db2.gz WRJSWNWJPPBHTF-UHFFFAOYSA-N 0 0 386.249 3.193 20 30 GGEDRN N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1Cl ZINC000301223830 565472720 /nfs/dbraw/zinc/47/27/20/565472720.db2.gz CDGCLXPVPRFWPO-UHFFFAOYSA-N 0 0 396.299 3.376 20 30 GGEDRN C#CCNC(=O)c1ccc(NCCc2ccc(F)c(Br)c2)nc1 ZINC000301229634 565473185 /nfs/dbraw/zinc/47/31/85/565473185.db2.gz IECZZWQVXCJZCY-UHFFFAOYSA-N 0 0 376.229 3.001 20 30 GGEDRN N#Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1Cl ZINC000301246452 565474170 /nfs/dbraw/zinc/47/41/70/565474170.db2.gz OFARHVHYUUPISW-UHFFFAOYSA-N 0 0 396.299 3.376 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)cc1 ZINC000377338989 565474259 /nfs/dbraw/zinc/47/42/59/565474259.db2.gz 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C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCSC[C@@H](C)C1 ZINC000277194259 565482804 /nfs/dbraw/zinc/48/28/04/565482804.db2.gz IWKAUNOKRWJCLU-KBPBESRZSA-N 0 0 377.535 3.231 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCSC[C@@H](C)C1 ZINC000277194264 565482813 /nfs/dbraw/zinc/48/28/13/565482813.db2.gz IWKAUNOKRWJCLU-UONOGXRCSA-N 0 0 377.535 3.231 20 30 GGEDRN N#Cc1cccc(Cl)c1NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000301405461 565483982 /nfs/dbraw/zinc/48/39/82/565483982.db2.gz UEXHCXZRKPKIDR-UHFFFAOYSA-N 0 0 381.807 3.185 20 30 GGEDRN N#CC1(NC(=O)CN2CCc3cccc(Br)c3C2)CCCCC1 ZINC000172405137 565483909 /nfs/dbraw/zinc/48/39/09/565483909.db2.gz MHECETFIJAIGQS-UHFFFAOYSA-N 0 0 376.298 3.150 20 30 GGEDRN N#Cc1ccc(N(CCO)Cc2cc(Br)ccc2F)c([N+](=O)[O-])c1 ZINC000301415103 565484974 /nfs/dbraw/zinc/48/49/74/565484974.db2.gz AGDMBWAESDZFNM-UHFFFAOYSA-N 0 0 394.200 3.367 20 30 GGEDRN C#CCCCC(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000277325591 565488886 /nfs/dbraw/zinc/48/88/86/565488886.db2.gz LQLQRTQSQNINLA-UHFFFAOYSA-N 0 0 382.298 3.361 20 30 GGEDRN Cn1nc(Br)c2c1ncnc2N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000301467014 565488889 /nfs/dbraw/zinc/48/88/89/565488889.db2.gz XWFHSFXVTWQTQL-KBPBESRZSA-N 0 0 397.280 3.402 20 30 GGEDRN N#Cc1cc(Br)cn(Cc2coc(-c3ccc(F)c(F)c3)n2)c1=O ZINC000377660292 565491645 /nfs/dbraw/zinc/49/16/45/565491645.db2.gz VKQHOIRWVBCZQF-UHFFFAOYSA-N 0 0 392.159 3.464 20 30 GGEDRN C=CCn1c(SCC(=O)NC[C@@H](C)OC)nnc1-c1ccc(Cl)cc1 ZINC000189845246 565492036 /nfs/dbraw/zinc/49/20/36/565492036.db2.gz HDIDLEUKYIPGNT-GFCCVEGCSA-N 0 0 380.901 3.028 20 30 GGEDRN N#Cc1c(N)sc2c1CCN(c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000301533121 565493290 /nfs/dbraw/zinc/49/32/90/565493290.db2.gz PZYHWQKQKASZGT-UHFFFAOYSA-N 0 0 379.239 3.435 20 30 GGEDRN COc1ccc(Br)c(NS(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000172591247 565494290 /nfs/dbraw/zinc/49/42/90/565494290.db2.gz BSKBARKKKRVQQP-UHFFFAOYSA-N 0 0 381.251 3.439 20 30 GGEDRN COCCOc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C)cc1Cl ZINC000172590845 565494378 /nfs/dbraw/zinc/49/43/78/565494378.db2.gz MPEZZFYTZKKTFH-UHFFFAOYSA-N 0 0 380.853 3.346 20 30 GGEDRN CS(=O)(=O)c1cc(NC(=O)NCc2cc(C#N)ccc2F)ccc1Cl ZINC000189890836 565494624 /nfs/dbraw/zinc/49/46/24/565494624.db2.gz KCERUYOHGOUIRH-UHFFFAOYSA-N 0 0 381.816 3.076 20 30 GGEDRN O=C(NCCOCC(F)(F)C(F)F)c1ccc(C(F)(F)F)nc1Cl ZINC000277422985 565495883 /nfs/dbraw/zinc/49/58/83/565495883.db2.gz HPOUGOKCFUPKOV-UHFFFAOYSA-N 0 0 382.663 3.401 20 30 GGEDRN C=CCN1CCC(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000172659232 565496925 /nfs/dbraw/zinc/49/69/25/565496925.db2.gz HBQZWFVUCGPZBB-UHFFFAOYSA-N 0 0 382.835 3.288 20 30 GGEDRN N#CCc1ccc(C(=O)NC[C@H](CO)Cc2cccc(Br)c2)cc1 ZINC000277432566 565497179 /nfs/dbraw/zinc/49/71/79/565497179.db2.gz WBMGUPHAHWDOCN-MRXNPFEDSA-N 0 0 387.277 3.096 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000172675115 565497860 /nfs/dbraw/zinc/49/78/60/565497860.db2.gz QNXJQEJAYJLIJA-QGZVFWFLSA-N 0 0 376.865 3.282 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000172673569 565498085 /nfs/dbraw/zinc/49/80/85/565498085.db2.gz CBQDUUZGXQUYQX-QGZVFWFLSA-N 0 0 376.865 3.282 20 30 GGEDRN C=CCn1c(S[C@@H](C(N)=O)C(C)C)nc2sc3c(c2c1=O)CCCC3 ZINC000301607458 565498759 /nfs/dbraw/zinc/49/87/59/565498759.db2.gz YGNSPZSLJJVKNY-CQSZACIVSA-N 0 0 377.535 3.125 20 30 GGEDRN CC1(C)CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)[C@H]1C#N ZINC000277471651 565499084 /nfs/dbraw/zinc/49/90/84/565499084.db2.gz KJRQPGGYKXWCDI-NSHDSACASA-N 0 0 392.706 3.200 20 30 GGEDRN N#Cc1ccnc(NCCC(=O)Nc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000301626854 565499448 /nfs/dbraw/zinc/49/94/48/565499448.db2.gz HQVYWDZZBKKJPE-UHFFFAOYSA-N 0 0 390.197 3.065 20 30 GGEDRN COc1cc(CNc2nccc(C#N)c2[N+](=O)[O-])cc(Br)c1OC ZINC000301625051 565499983 /nfs/dbraw/zinc/49/99/83/565499983.db2.gz GXQSEXWEOPFCLJ-UHFFFAOYSA-N 0 0 393.197 3.253 20 30 GGEDRN N#Cc1ccnc(N[C@@H]2CCN(c3ccccc3Br)C2)c1[N+](=O)[O-] ZINC000301659350 565501875 /nfs/dbraw/zinc/50/18/75/565501875.db2.gz MDWLLKBNCHKZNR-GFCCVEGCSA-N 0 0 388.225 3.315 20 30 GGEDRN N#Cc1ccnc(N2CCO[C@@H](c3ccccc3Br)C2)c1[N+](=O)[O-] ZINC000301670510 565503675 /nfs/dbraw/zinc/50/36/75/565503675.db2.gz YRMAOPALSSCZAV-CQSZACIVSA-N 0 0 389.209 3.202 20 30 GGEDRN N#Cc1cc(Br)cn(Cc2nc(-c3cccc(Cl)c3)no2)c1=O ZINC000377937963 565504954 /nfs/dbraw/zinc/50/49/54/565504954.db2.gz IEMFBWAIDJNQEL-UHFFFAOYSA-N 0 0 391.612 3.234 20 30 GGEDRN N#Cc1cccc(Cl)c1NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000301805449 565510346 /nfs/dbraw/zinc/51/03/46/565510346.db2.gz VLBMUZWGHDSENB-UHFFFAOYSA-N 0 0 376.290 3.317 20 30 GGEDRN Cc1ccc(S(=O)(=O)NCCNc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000301787136 565510661 /nfs/dbraw/zinc/51/06/61/565510661.db2.gz PJCMBWHAWPQARP-UHFFFAOYSA-N 0 0 389.424 3.337 20 30 GGEDRN N#Cc1ccc(Br)c(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277628693 565510982 /nfs/dbraw/zinc/51/09/82/565510982.db2.gz BBJJYKPKBUWRGD-RISCZKNCSA-N 0 0 377.204 3.456 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N[C@@H]2COc3c2cccc3Cl)ccc1Cl ZINC000378084450 565511467 /nfs/dbraw/zinc/51/14/67/565511467.db2.gz FPVKEPHXONOZIU-CQSZACIVSA-N 0 0 376.199 3.053 20 30 GGEDRN N#Cc1cc(Cl)ccc1NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000301815771 565511504 /nfs/dbraw/zinc/51/15/04/565511504.db2.gz ZYPZIYQTVNBEIU-UHFFFAOYSA-N 0 0 376.290 3.317 20 30 GGEDRN N#Cc1cc(F)c(C(=O)N2CCC(n3cc(Br)cn3)CC2)c(F)c1 ZINC000378078315 565511626 /nfs/dbraw/zinc/51/16/26/565511626.db2.gz TULDWVHHFOYBQT-UHFFFAOYSA-N 0 0 395.207 3.273 20 30 GGEDRN Cc1cc(N2CCN(c3ccc(C#N)cc3F)CC2)ncc1Br ZINC000301816084 565512114 /nfs/dbraw/zinc/51/21/14/565512114.db2.gz GZFDRISQZQDHJQ-UHFFFAOYSA-N 0 0 375.245 3.490 20 30 GGEDRN N#Cc1cc2c(nc1NCCNC(=O)c1cccc(Br)c1)CCCC2 ZINC000301851408 565514110 /nfs/dbraw/zinc/51/41/10/565514110.db2.gz AOMGWHPGLQZOOW-UHFFFAOYSA-N 0 0 399.292 3.436 20 30 GGEDRN N#Cc1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)c(Br)c1 ZINC000301846889 565514146 /nfs/dbraw/zinc/51/41/46/565514146.db2.gz BFJYJAJOZWAWSH-UHFFFAOYSA-N 0 0 399.292 3.081 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)c(Br)c1 ZINC000301864538 565515242 /nfs/dbraw/zinc/51/52/42/565515242.db2.gz GKRUMPTYPGXLLV-UHFFFAOYSA-N 0 0 384.277 3.212 20 30 GGEDRN CC[C@H](C#N)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000172953695 565516066 /nfs/dbraw/zinc/51/60/66/565516066.db2.gz PUHJVUYOIZQTAS-UKRRQHHQSA-N 0 0 392.297 3.028 20 30 GGEDRN N#Cc1ccc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c(Br)c1 ZINC000301884201 565516234 /nfs/dbraw/zinc/51/62/34/565516234.db2.gz YSBBJRKFTQNZPQ-IRXDYDNUSA-N 0 0 386.293 3.368 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)N2CCc3cc(Br)ccc3C2)c1 ZINC000190212049 565516380 /nfs/dbraw/zinc/51/63/80/565516380.db2.gz RVQJMJZFILTPEI-UHFFFAOYSA-N 0 0 377.263 3.068 20 30 GGEDRN C[C@@](C#N)(NC(=O)CN[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C1CC1 ZINC000277747359 565517288 /nfs/dbraw/zinc/51/72/88/565517288.db2.gz IQUAHZLCJKQSJN-CABCVRRESA-N 0 0 377.769 3.481 20 30 GGEDRN C=CCN(C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000172998169 565517925 /nfs/dbraw/zinc/51/79/25/565517925.db2.gz OMNLKPPSCFVDNO-ARFHVFGLSA-N 0 0 388.316 3.299 20 30 GGEDRN C[C@H](Oc1cccc(Br)c1)C(=O)Nc1nc2n(c1C#N)CCS2 ZINC000172993257 565518261 /nfs/dbraw/zinc/51/82/61/565518261.db2.gz AWBLFGRBHPKKFV-VIFPVBQESA-N 0 0 393.266 3.029 20 30 GGEDRN C=CCN(C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000172998163 565518283 /nfs/dbraw/zinc/51/82/83/565518283.db2.gz OMNLKPPSCFVDNO-BZUAXINKSA-N 0 0 388.316 3.299 20 30 GGEDRN Cc1cc(F)c(Br)cc1NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000190256478 565519083 /nfs/dbraw/zinc/51/90/83/565519083.db2.gz SUGQWXOZMBQUCA-UHFFFAOYSA-N 0 0 390.212 3.137 20 30 GGEDRN CCn1cc(Br)cc1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000378299414 565519970 /nfs/dbraw/zinc/51/99/70/565519970.db2.gz OLTWEOACNNMHCY-KRWDZBQOSA-N 0 0 388.265 3.356 20 30 GGEDRN Cn1nc(Br)c2c1ncnc2N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000378358217 565523786 /nfs/dbraw/zinc/52/37/86/565523786.db2.gz YXHMKQMWDRPLGW-UHFFFAOYSA-N 0 0 395.264 3.291 20 30 GGEDRN COc1ccc([C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)C2)cc1 ZINC000173089804 565525630 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CC(C)n1ccc(CS(=O)(=O)Cc2cc(C#N)ccc2Br)n1 ZINC000191618461 565618130 /nfs/dbraw/zinc/61/81/30/565618130.db2.gz VPDGEDKEGMCNHH-UHFFFAOYSA-N 0 0 382.283 3.213 20 30 GGEDRN CN(Cc1cc(Cl)cn1C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409481633 565618406 /nfs/dbraw/zinc/61/84/06/565618406.db2.gz BZBHAUVKLGETCS-UHFFFAOYSA-N 0 0 391.802 3.390 20 30 GGEDRN C[C@@H](C#N)CN(C)S(=O)(=O)NCC1(c2ccccc2Cl)CCCCC1 ZINC000409486121 565618572 /nfs/dbraw/zinc/61/85/72/565618572.db2.gz OQRQNIQAHQTCAV-HNNXBMFYSA-N 0 0 383.945 3.468 20 30 GGEDRN Cc1nc(CCNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)sc1C ZINC000409481637 565618635 /nfs/dbraw/zinc/61/86/35/565618635.db2.gz AYRMQXKZAOFHGM-UHFFFAOYSA-N 0 0 389.424 3.171 20 30 GGEDRN N#Cc1cc(S(=O)(=O)NCCSCC(F)(F)F)ccc1C(F)(F)F ZINC000409492383 565619319 /nfs/dbraw/zinc/61/93/19/565619319.db2.gz VJKDNKFUNPIUHQ-UHFFFAOYSA-N 0 0 392.346 3.151 20 30 GGEDRN CC(C)CO[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000409496953 565619529 /nfs/dbraw/zinc/61/95/29/565619529.db2.gz 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C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000409551645 565623066 /nfs/dbraw/zinc/62/30/66/565623066.db2.gz BWSQMGKUOHCPAI-KBXCAEBGSA-N 0 0 377.897 3.355 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000409554124 565623319 /nfs/dbraw/zinc/62/33/19/565623319.db2.gz QQERSZGVHCNSHR-SUMWQHHRSA-N 0 0 395.575 3.483 20 30 GGEDRN Cc1nc(-c2ccc([C@@H](C)NS(=O)(=O)N(C)C[C@@H](C)C#N)cc2)cs1 ZINC000409554693 565623397 /nfs/dbraw/zinc/62/33/97/565623397.db2.gz LHFIRQLVLIZLMQ-QWHCGFSZSA-N 0 0 378.523 3.105 20 30 GGEDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NS(=O)(=O)N(C)C[C@H](C)C#N ZINC000409551067 565623586 /nfs/dbraw/zinc/62/35/86/565623586.db2.gz AZZOSKFDKQEINE-OCCSQVGLSA-N 0 0 378.523 3.105 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000409555116 565623752 /nfs/dbraw/zinc/62/37/52/565623752.db2.gz HJNJCGLSPCZWCR-AWEZNQCLSA-N 0 0 378.523 3.250 20 30 GGEDRN C=C(C)[C@@H](CC(=O)Nc1ccnn1-c1ccc(Br)cn1)OCC ZINC000279615244 565623754 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CCCCCNC(=O)[C@H](C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000191726478 565625144 /nfs/dbraw/zinc/62/51/44/565625144.db2.gz SEDDRNDNEHQJIY-NSHDSACASA-N 0 0 376.400 3.046 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000409589380 565625359 /nfs/dbraw/zinc/62/53/59/565625359.db2.gz PRZZOJDCLNQZCR-OLZOCXBDSA-N 0 0 377.432 3.425 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000409579219 565625441 /nfs/dbraw/zinc/62/54/41/565625441.db2.gz FEYYEYIZSRHORV-OAHLLOKOSA-N 0 0 383.945 3.468 20 30 GGEDRN C[C@@H](C#N)CN(C)S(=O)(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000409577640 565625607 /nfs/dbraw/zinc/62/56/07/565625607.db2.gz UGTCZFOLSSUPLX-NSHDSACASA-N 0 0 376.309 3.294 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000409581822 565625884 /nfs/dbraw/zinc/62/58/84/565625884.db2.gz WUGZAPODASBUMZ-UHFFFAOYSA-N 0 0 375.416 3.150 20 30 GGEDRN C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000409586285 565625969 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Cc1ccsc1[C@H](Cc1ccccc1)NS(=O)(=O)N(C)C[C@@H](C)C#N ZINC000410154444 565667228 /nfs/dbraw/zinc/66/72/28/565667228.db2.gz NTMFBHUHLKYCBH-YOEHRIQHSA-N 0 0 377.535 3.266 20 30 GGEDRN CCC1(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCOCC1 ZINC000410149665 565667441 /nfs/dbraw/zinc/66/74/41/565667441.db2.gz JMVVZTOESDXXQM-UHFFFAOYSA-N 0 0 376.400 3.062 20 30 GGEDRN COCCN(CCC#N)S(=O)(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000410155610 565667964 /nfs/dbraw/zinc/66/79/64/565667964.db2.gz PKZDMBTUXGTHBA-QGZVFWFLSA-N 0 0 387.933 3.124 20 30 GGEDRN O=C(Nc1cnn(-c2ccccc2Br)c1)N1CCOCC2(CC2)C1 ZINC000329473553 565668026 /nfs/dbraw/zinc/66/80/26/565668026.db2.gz SONFKERHAHXRFE-UHFFFAOYSA-N 0 0 391.269 3.293 20 30 GGEDRN CC[C@@H]1CN(C(=O)Nc2cc3sc(C)nc3cc2OC)C[C@H](C)[S@]1=O ZINC000329492367 565668112 /nfs/dbraw/zinc/66/81/12/565668112.db2.gz WAYNUTRBZHQSEW-VANAEQNXSA-N 0 0 381.523 3.390 20 30 GGEDRN O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C1CCS(=O)(=O)CC1 ZINC000329505848 565668201 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CCC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)c1cccc(C(F)(F)F)c1 ZINC000410158365 565668612 /nfs/dbraw/zinc/66/86/12/565668612.db2.gz GENLYFRACQULSG-DOMZBBRYSA-N 0 0 377.432 3.472 20 30 GGEDRN CC1(C)CCCc2sc(NC(=O)N3CCC(C)(C)S(=O)(=O)CC3)nc21 ZINC000329511375 565668747 /nfs/dbraw/zinc/66/87/47/565668747.db2.gz KMYSRHSMXUPOMR-UHFFFAOYSA-N 0 0 385.555 3.202 20 30 GGEDRN C[C@@H]1OCC[C@]1(C)NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000329509209 565669025 /nfs/dbraw/zinc/66/90/25/565669025.db2.gz BDVDLPSWTYJYIF-PRXAMGSTSA-N 0 0 381.270 3.326 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)COc2cc(Cl)c(Cl)cc2Cl)C1=O ZINC000410177397 565669373 /nfs/dbraw/zinc/66/93/73/565669373.db2.gz DARPUMWKECSUSY-CYBMUJFWSA-N 0 0 391.682 3.271 20 30 GGEDRN O=C(NC1CC1)N[C@@H]1CCN(c2ccc3cc(Br)ccc3n2)C1 ZINC000329525798 565670079 /nfs/dbraw/zinc/67/00/79/565670079.db2.gz RDFRODWTZQWBFB-CQSZACIVSA-N 0 0 375.270 3.242 20 30 GGEDRN O=C(NC1CC1)N[C@@H]1CCN(c2ccnc3ccc(Br)cc32)C1 ZINC000329549987 565670208 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GGEDRN O=C(Nc1ccccc1-n1cc(Br)cn1)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000329602137 565672381 /nfs/dbraw/zinc/67/23/81/565672381.db2.gz FPGGSAMWOCTKLC-AXAPSJFSSA-N 0 0 392.253 3.274 20 30 GGEDRN C[C@@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)N(C)CC(F)(F)F ZINC000192238212 565672456 /nfs/dbraw/zinc/67/24/56/565672456.db2.gz PECFCBHURYKVMH-CABZTGNLSA-N 0 0 378.192 3.013 20 30 GGEDRN CN(CC1(O)CCCC1)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000329620854 565672778 /nfs/dbraw/zinc/67/27/78/565672778.db2.gz MVLOPDDSXKNYGJ-UHFFFAOYSA-N 0 0 383.286 3.035 20 30 GGEDRN C[C@@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)N(C)CC(F)(F)F ZINC000192238222 565672854 /nfs/dbraw/zinc/67/28/54/565672854.db2.gz PECFCBHURYKVMH-JOYOIKCWSA-N 0 0 378.192 3.013 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)NCCCCn1cc(Br)cn1 ZINC000280447771 565672947 /nfs/dbraw/zinc/67/29/47/565672947.db2.gz REOVDOTVAOEIQJ-UHFFFAOYSA-N 0 0 390.285 3.139 20 30 GGEDRN O=C(N[C@H]1[C@@H]2COC[C@@H]21)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000329615594 565672915 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NC(=O)[C@@H]1CCC[C@@H](NC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000329636154 565674045 /nfs/dbraw/zinc/67/40/45/565674045.db2.gz UWPPEAOFKZKMDC-BXUZGUMPSA-N 0 0 396.285 3.482 20 30 GGEDRN N#Cc1ccc(CN2CC[C@H](NCc3sccc3Br)C2=O)cc1 ZINC000192243618 565674094 /nfs/dbraw/zinc/67/40/94/565674094.db2.gz CUGKOPUEHUNGSC-HNNXBMFYSA-N 0 0 390.306 3.273 20 30 GGEDRN Cc1cc(N2CC[C@H](NC(=O)[C@@H]3C[C@]34CCOC4)C2=O)ccc1Br ZINC000329634769 565674131 /nfs/dbraw/zinc/67/41/31/565674131.db2.gz UBMGBLLYZDYCCY-YEWWUXTCSA-N 0 0 393.281 3.246 20 30 GGEDRN CC[C@@H]1CO[C@@H](C)CN1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000329627947 565674277 /nfs/dbraw/zinc/67/42/77/565674277.db2.gz PPYBYRUTYQMOGD-XHDPSFHLSA-N 0 0 383.286 3.297 20 30 GGEDRN C[C@@H]1Cc2ccc(Br)cc2CN1C([O-])=[NH+][C@H]1CCc2nc[nH]c2C1 ZINC000329632496 565674302 /nfs/dbraw/zinc/67/43/02/565674302.db2.gz WIMMUOYSLAPOHG-ABAIWWIYSA-N 0 0 389.297 3.390 20 30 GGEDRN NC(=O)[C@@H]1CCC[C@H](NC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000329636159 565674340 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/nfs/dbraw/zinc/83/55/63/565835563.db2.gz AMSSDFILUIQDKZ-UHFFFAOYSA-N 0 0 375.597 3.322 20 30 GGEDRN C[S@](=O)Cc1ccc(Cl)c(N[C@H]2CCN(c3sccc3C#N)C2=O)c1 ZINC000177205892 565835662 /nfs/dbraw/zinc/83/56/62/565835662.db2.gz ADMYLBALFVEYHM-SXBQZSJRSA-N 0 0 393.921 3.369 20 30 GGEDRN C[C@H](CC#N)N(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194775527 565835731 /nfs/dbraw/zinc/83/57/31/565835731.db2.gz XHNAXXSRYPFSRL-MRVPVSSYSA-N 0 0 385.205 3.391 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCn1ccnc1 ZINC000194777537 565836097 /nfs/dbraw/zinc/83/60/97/565836097.db2.gz KSUCMCJRPBWMHN-UHFFFAOYSA-N 0 0 381.249 3.183 20 30 GGEDRN Cc1c(Br)ccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)c1F ZINC000194795980 565838256 /nfs/dbraw/zinc/83/82/56/565838256.db2.gz PCIDHOTZZHVCBP-UHFFFAOYSA-N 0 0 390.212 3.137 20 30 GGEDRN CCOc1ccc(S(=O)(=O)N(C)[C@](C)(C#N)C2CC2)cc1Br ZINC000194815772 565839857 /nfs/dbraw/zinc/83/98/57/565839857.db2.gz HBDVQIUTIJFEOA-OAHLLOKOSA-N 0 0 387.299 3.161 20 30 GGEDRN COC(=O)c1cc(S(=O)(=O)N(C)[C@@](C)(C#N)C2CC2)c(Cl)cc1Cl ZINC000194815615 565840016 /nfs/dbraw/zinc/84/00/16/565840016.db2.gz BYKNVIQMRNYNGU-HNNXBMFYSA-N 0 0 391.276 3.093 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000194853620 565843130 /nfs/dbraw/zinc/84/31/30/565843130.db2.gz BKAIODIMDRCSAL-UHFFFAOYSA-N 0 0 397.909 3.120 20 30 GGEDRN C[C@@]12CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C[C@@H]1C2(Cl)Cl ZINC000284130633 565843724 /nfs/dbraw/zinc/84/37/24/565843724.db2.gz CSJWOYREJDANRZ-WCQYABFASA-N 0 0 381.231 3.041 20 30 GGEDRN CC1(C)CCCN(C(=O)c2cc(Br)c3c(c2)OCCO3)[C@@H]1C#N ZINC000332544773 565844231 /nfs/dbraw/zinc/84/42/31/565844231.db2.gz ZWMHBTGEQAWLPN-CQSZACIVSA-N 0 0 379.254 3.375 20 30 GGEDRN N#Cc1ccc(CC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000194874730 565844963 /nfs/dbraw/zinc/84/49/63/565844963.db2.gz YODZNQNKJIIEGO-GOSISDBHSA-N 0 0 385.261 3.463 20 30 GGEDRN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCC1CCC(C#N)CC1 ZINC000332569483 565845038 /nfs/dbraw/zinc/84/50/38/565845038.db2.gz VGZNSSKRMCIHDT-VOMCLLRMSA-N 0 0 398.326 3.075 20 30 GGEDRN Cc1c(Br)cccc1C[C@H](CO)CNc1ncc(C#N)cc1F ZINC000413314457 565845277 /nfs/dbraw/zinc/84/52/77/565845277.db2.gz IMGBDKWWEJCDLI-ZDUSSCGKSA-N 0 0 378.245 3.426 20 30 GGEDRN COc1ccc(C[C@@H](CO)CNc2ncc(C#N)cc2F)cc1Br ZINC000413310097 565846070 /nfs/dbraw/zinc/84/60/70/565846070.db2.gz CJNPGCCLLPEBTL-CYBMUJFWSA-N 0 0 394.244 3.127 20 30 GGEDRN COc1ccc(Br)cc1C[C@@H](CO)CNc1ncc(C#N)cc1F ZINC000413325123 565846721 /nfs/dbraw/zinc/84/67/21/565846721.db2.gz UJGPUPPKVWLGGN-GFCCVEGCSA-N 0 0 394.244 3.127 20 30 GGEDRN C#CCCCCN1C(=O)[C@H](CC(=O)NC)S/C1=N\[C@@H](C)c1cccs1 ZINC000177401061 565847832 /nfs/dbraw/zinc/84/78/32/565847832.db2.gz DIMNCMIHOKGGKV-ACBNZXAQSA-N 0 0 377.535 3.049 20 30 GGEDRN C[C@H]1SCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H]1C ZINC000332632059 565848690 /nfs/dbraw/zinc/84/86/90/565848690.db2.gz HGWOTVFDZLUNMH-VXGBXAGGSA-N 0 0 375.885 3.177 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)c2cc3c(c(Br)c2)OCO3)n1 ZINC000177402074 565848844 /nfs/dbraw/zinc/84/88/44/565848844.db2.gz KOMBECUDAWNWRU-UHFFFAOYSA-N 0 0 377.198 3.079 20 30 GGEDRN Cc1c(Cl)cccc1/N=C1\SCCN1C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000194963603 565850746 /nfs/dbraw/zinc/85/07/46/565850746.db2.gz XTHYICMNGXNWCS-MHMQGTJDSA-N 0 0 386.926 3.036 20 30 GGEDRN C[C@H](CC#N)N(C)S(=O)(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C ZINC000332669193 565850782 /nfs/dbraw/zinc/85/07/82/565850782.db2.gz GUWSNSDOCFBLDZ-MNOVXSKESA-N 0 0 376.309 3.391 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)CN1Cc2cc(Br)ccc2C[C@H]1C ZINC000332670918 565850840 /nfs/dbraw/zinc/85/08/40/565850840.db2.gz BOXGYBXYFZIXKB-ACJLOTCBSA-N 0 0 378.314 3.250 20 30 GGEDRN Cc1nnc(NC[C@H](CO)Cc2cc(F)cc(Br)c2)c(C#N)c1C ZINC000413432366 565851202 /nfs/dbraw/zinc/85/12/02/565851202.db2.gz IWJHGYQTOGQNDA-CYBMUJFWSA-N 0 0 393.260 3.130 20 30 GGEDRN N#Cc1ccnc(NC[C@H](CO)Cc2cc(F)cc(Br)c2)c1Cl ZINC000413430574 565851377 /nfs/dbraw/zinc/85/13/77/565851377.db2.gz GTBANJSUTQYUKE-LLVKDONJSA-N 0 0 398.663 3.193 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCc2cc(Br)ccc2C1 ZINC000332660883 565851451 /nfs/dbraw/zinc/85/14/51/565851451.db2.gz CQZSQQIVOYLGPT-ACJLOTCBSA-N 0 0 378.314 3.250 20 30 GGEDRN Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CCC(C#N)CC1 ZINC000177439919 565851531 /nfs/dbraw/zinc/85/15/31/565851531.db2.gz GVTWYJCAHCTEPD-UHFFFAOYSA-N 0 0 384.661 3.112 20 30 GGEDRN C[C@H](CC#N)N(C)S(=O)(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C ZINC000332674684 565851993 /nfs/dbraw/zinc/85/19/93/565851993.db2.gz JWZZERYSZBTHRR-MNOVXSKESA-N 0 0 376.309 3.391 20 30 GGEDRN Cc1ccc(C#N)c(NC[C@@H](CO)Cc2cc(F)cc(Br)c2)n1 ZINC000413438900 565852240 /nfs/dbraw/zinc/85/22/40/565852240.db2.gz QLAXKVQDTUZQEC-ZDUSSCGKSA-N 0 0 378.245 3.426 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCc2ccc(Br)cc2C1 ZINC000332673839 565852503 /nfs/dbraw/zinc/85/25/03/565852503.db2.gz JNIMAVUWDNRIBL-FZKQIMNGSA-N 0 0 378.314 3.250 20 30 GGEDRN Cc1nsc(NC[C@@H](CO)Cc2cc(F)cc(Br)c2)c1C#N ZINC000413441608 565852758 /nfs/dbraw/zinc/85/27/58/565852758.db2.gz TYCJFAMPLRCSOB-NSHDSACASA-N 0 0 384.274 3.488 20 30 GGEDRN Cc1nsc(NC[C@H](CO)Cc2cc(F)cc(Br)c2)c1C#N ZINC000413441607 565852905 /nfs/dbraw/zinc/85/29/05/565852905.db2.gz TYCJFAMPLRCSOB-LLVKDONJSA-N 0 0 384.274 3.488 20 30 GGEDRN N#CC1(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CCCCC1 ZINC000332688425 565853425 /nfs/dbraw/zinc/85/34/25/565853425.db2.gz TUFMMJOYEWXXEF-ZDUSSCGKSA-N 0 0 390.281 3.145 20 30 GGEDRN C=CCOc1c(Br)cc(CN2CCOC[C@]23CCOC3)cc1OC ZINC000195018761 565853466 /nfs/dbraw/zinc/85/34/66/565853466.db2.gz MSFIOWGQBAEUOV-GOSISDBHSA-N 0 0 398.297 3.014 20 30 GGEDRN Cc1cc(NC(=O)C2(C#N)CCOCC2)nn1-c1ccc(Cl)cc1Cl ZINC000332715412 565853591 /nfs/dbraw/zinc/85/35/91/565853591.db2.gz ZRNMITCTAKDUGU-UHFFFAOYSA-N 0 0 379.247 3.168 20 30 GGEDRN CC(C)(CC#N)CS(=O)(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000332698292 565853730 /nfs/dbraw/zinc/85/37/30/565853730.db2.gz IOYVHTNKQULYLC-UHFFFAOYSA-N 0 0 389.290 3.216 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000284439804 565853904 /nfs/dbraw/zinc/85/39/04/565853904.db2.gz JWAKAFLSZRGFOJ-PBHICJAKSA-N 0 0 382.291 3.251 20 30 GGEDRN CCS(=O)(=O)c1cc(Cl)cc(CNc2ncc(Cl)c(C)c2C#N)c1 ZINC000413485218 565854584 /nfs/dbraw/zinc/85/45/84/565854584.db2.gz GQAADMRFGAGYRS-UHFFFAOYSA-N 0 0 384.288 3.396 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCc2c(Br)ccc(F)c2C1 ZINC000332731245 565854691 /nfs/dbraw/zinc/85/46/91/565854691.db2.gz VQTGAKCUVMAKCC-KZULUSFZSA-N 0 0 396.304 3.389 20 30 GGEDRN N#Cc1cc2c(nc1NCc1cccc(Br)c1Cl)CCOC2 ZINC000413490332 565856218 /nfs/dbraw/zinc/85/62/18/565856218.db2.gz VROOOIRGNFWYBI-UHFFFAOYSA-N 0 0 378.657 3.476 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NCc2csc([C@H](C)OC)n2)cc1 ZINC000177502593 565856274 /nfs/dbraw/zinc/85/62/74/565856274.db2.gz QOJYRYASJOVMSQ-ZDUSSCGKSA-N 0 0 381.523 3.269 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NCc2csc([C@@H](C)OC)n2)cc1 ZINC000177502605 565856474 /nfs/dbraw/zinc/85/64/74/565856474.db2.gz QOJYRYASJOVMSQ-CYBMUJFWSA-N 0 0 381.523 3.269 20 30 GGEDRN C=CCN(Cc1csc([C@H](C)OC)n1)S(=O)(=O)c1ccc(OC)cc1 ZINC000177532163 565857457 /nfs/dbraw/zinc/85/74/57/565857457.db2.gz ZKNRSPRPGGHEAI-ZDUSSCGKSA-N 0 0 382.507 3.236 20 30 GGEDRN C=CC[C@H](Cc1ccccc1)NC(=O)NCCn1cc(Br)cn1 ZINC000413543894 565859262 /nfs/dbraw/zinc/85/92/62/565859262.db2.gz PQARBOGDDOKVEI-MRXNPFEDSA-N 0 0 377.286 3.132 20 30 GGEDRN N#Cc1ccc(NC(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1Br ZINC000333041350 565862226 /nfs/dbraw/zinc/86/22/26/565862226.db2.gz AEHMNWKCOCEFPJ-DOTOQJQBSA-N 0 0 376.254 3.496 20 30 GGEDRN N#CCCN(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000177614809 565862885 /nfs/dbraw/zinc/86/28/85/565862885.db2.gz NSBBRYPSFSDIJI-UHFFFAOYSA-N 0 0 380.120 3.275 20 30 GGEDRN N#CCCN(CC(F)(F)F)C(=O)c1csc(I)c1 ZINC000177627663 565862978 /nfs/dbraw/zinc/86/29/78/565862978.db2.gz ACOMSXACPQCVEV-UHFFFAOYSA-N 0 0 388.152 3.271 20 30 GGEDRN C[S@](=O)c1ccc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000177623325 565863310 /nfs/dbraw/zinc/86/33/10/565863310.db2.gz BFZDTTFIXCKSEG-DEOSSOPVSA-N 0 0 388.392 3.115 20 30 GGEDRN CC(C)(C)c1nnc2sc(SCc3cc(F)ccc3C#N)nn2c1=O ZINC000177636159 565863952 /nfs/dbraw/zinc/86/39/52/565863952.db2.gz WHLPCBHXTUOUJT-UHFFFAOYSA-N 0 0 375.454 3.147 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(S(=O)(=O)NC)oc1C ZINC000177643780 565863992 /nfs/dbraw/zinc/86/39/92/565863992.db2.gz WUTNPMBSASMDQJ-UHFFFAOYSA-N 0 0 388.898 3.039 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCCCOC2CCCC2)cc1C(F)(F)F ZINC000177654782 565864475 /nfs/dbraw/zinc/86/44/75/565864475.db2.gz WBVPYZZZYIHRSQ-UHFFFAOYSA-N 0 0 376.400 3.205 20 30 GGEDRN Cc1c(Cl)cccc1N1CCCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000333086303 565864510 /nfs/dbraw/zinc/86/45/10/565864510.db2.gz NDQKXILJZOSZJK-UHFFFAOYSA-N 0 0 381.929 3.184 20 30 GGEDRN CCc1nc(CCNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cs1 ZINC000177655452 565865615 /nfs/dbraw/zinc/86/56/15/565865615.db2.gz KXGNGVBMVKNUQD-UHFFFAOYSA-N 0 0 389.424 3.117 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1Br ZINC000333111144 565865671 /nfs/dbraw/zinc/86/56/71/565865671.db2.gz SAZCTLHLKHMTBY-OAHLLOKOSA-N 0 0 399.285 3.413 20 30 GGEDRN N#Cc1ccc(Br)cc1S(=O)(=O)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000333112530 565865677 /nfs/dbraw/zinc/86/56/77/565865677.db2.gz FIRLTFCWOWWPFD-GDBMZVCRSA-N 0 0 381.295 3.130 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000333108246 565865898 /nfs/dbraw/zinc/86/58/98/565865898.db2.gz RLCNCNWJUNEISZ-ZBFHGGJFSA-N 0 0 380.897 3.181 20 30 GGEDRN N#Cc1cc(S(=O)(=O)N2CCSC[C@H]2C2CC2)ccc1C(F)(F)F ZINC000333098388 565865997 /nfs/dbraw/zinc/86/59/97/565865997.db2.gz PNBPZSOGWMUQDZ-AWEZNQCLSA-N 0 0 376.425 3.093 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1Br ZINC000333111143 565866003 /nfs/dbraw/zinc/86/60/03/565866003.db2.gz SAZCTLHLKHMTBY-HNNXBMFYSA-N 0 0 399.285 3.413 20 30 GGEDRN Cc1cnc([C@@H](C)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000177669626 565866579 /nfs/dbraw/zinc/86/65/79/565866579.db2.gz NYBIIXRWIKKPSH-SECBINFHSA-N 0 0 375.397 3.382 20 30 GGEDRN N#Cc1ccc(OCC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000284739043 565867945 /nfs/dbraw/zinc/86/79/45/565867945.db2.gz QLHDNBSKHHDXGS-GOSISDBHSA-N 0 0 386.249 3.362 20 30 GGEDRN C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000195238619 565868380 /nfs/dbraw/zinc/86/83/80/565868380.db2.gz GNWIXVLRWOZVPU-GFCCVEGCSA-N 0 0 386.249 3.479 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)NCCC(C)(C)S(C)(=O)=O ZINC000413737491 565872120 /nfs/dbraw/zinc/87/21/20/565872120.db2.gz KWQICCCBVWKMLB-UHFFFAOYSA-N 0 0 378.947 3.312 20 30 GGEDRN N#Cc1ccc(OC[C@@H](O)CN2CCc3c(Br)cccc3C2)cc1 ZINC000195330166 565876650 /nfs/dbraw/zinc/87/66/50/565876650.db2.gz TZUPVCLHLZKBSP-INIZCTEOSA-N 0 0 387.277 3.119 20 30 GGEDRN CN(CCC#N)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000195354909 565877580 /nfs/dbraw/zinc/87/75/80/565877580.db2.gz PUQJHBGVFUOMMA-UHFFFAOYSA-N 0 0 376.210 3.280 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCSC[C@H]2C2CCC2)c(C(F)(F)F)c1 ZINC000333405040 565880703 /nfs/dbraw/zinc/88/07/03/565880703.db2.gz QMWOHFWVAFUDIS-AWEZNQCLSA-N 0 0 390.452 3.483 20 30 GGEDRN N#CCC1(CS(=O)(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000333434741 565881653 /nfs/dbraw/zinc/88/16/53/565881653.db2.gz OHKLJWKUSPHAMU-NSHDSACASA-N 0 0 393.456 3.365 20 30 GGEDRN CC[C@H](CNC(=O)N1CCN(CC(F)(F)C(F)F)CC1)CC(F)(F)F ZINC000413921472 565881707 /nfs/dbraw/zinc/88/17/07/565881707.db2.gz VIFODPHXILPAFB-JTQLQIEISA-N 0 0 381.336 3.193 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCSC[C@H]2C2CCC2)cc1C(F)(F)F ZINC000333441144 565882407 /nfs/dbraw/zinc/88/24/07/565882407.db2.gz WCLAIQVDKPXHGF-HNNXBMFYSA-N 0 0 390.452 3.483 20 30 GGEDRN C=C(C)CCc1noc(CS(=O)(=O)Cc2cccc(Br)c2)n1 ZINC000284998449 565882563 /nfs/dbraw/zinc/88/25/63/565882563.db2.gz CVHXNWPGBFOQPD-UHFFFAOYSA-N 0 0 385.283 3.456 20 30 GGEDRN N#C[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccccc21)c1cccc(Br)c1 ZINC000195455080 565884638 /nfs/dbraw/zinc/88/46/38/565884638.db2.gz HULHQIHYXHSOPL-HOCLYGCPSA-N 0 0 384.233 3.256 20 30 GGEDRN C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000195455133 565884785 /nfs/dbraw/zinc/88/47/85/565884785.db2.gz JTBUMKRLAJQHBO-VBNZEHGJSA-N 0 0 381.270 3.104 20 30 GGEDRN N#C[C@@H](NC(=O)c1cc2ccccc2[nH]c1=O)c1cccc(Br)c1 ZINC000195455830 565884937 /nfs/dbraw/zinc/88/49/37/565884937.db2.gz ZZBMCLRZOURZBC-MRXNPFEDSA-N 0 0 382.217 3.285 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)cc2)nnc1S(=O)(=O)C[C@H]1CCCCO1 ZINC000285070445 565886882 /nfs/dbraw/zinc/88/68/82/565886882.db2.gz JFBSDCCOIVPZDH-OAHLLOKOSA-N 0 0 381.885 3.127 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)cc2)nnc1S(=O)(=O)C[C@@H]1CCCCO1 ZINC000285070440 565887126 /nfs/dbraw/zinc/88/71/26/565887126.db2.gz JFBSDCCOIVPZDH-HNNXBMFYSA-N 0 0 381.885 3.127 20 30 GGEDRN CSC[C@](C)(C#N)NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000285098461 565888323 /nfs/dbraw/zinc/88/83/23/565888323.db2.gz NHQACGDHULYETA-INIZCTEOSA-N 0 0 388.461 3.140 20 30 GGEDRN N#C[C@]1(C(=O)NCc2cc3c(c(Br)c2)OCO3)CC12CCCC2 ZINC000333606479 565888950 /nfs/dbraw/zinc/88/89/50/565888950.db2.gz VZCATQPDMDDION-KRWDZBQOSA-N 0 0 377.238 3.268 20 30 GGEDRN C=C(C)CN(CC)C(=O)C[S@](=O)Cc1csc(Cc2ccccc2)n1 ZINC000178005665 565889218 /nfs/dbraw/zinc/88/92/18/565889218.db2.gz VUAOEZGYUOPJNF-RUZDIDTESA-N 0 0 376.547 3.407 20 30 GGEDRN N#Cc1ccncc1C(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000414052207 565891535 /nfs/dbraw/zinc/89/15/35/565891535.db2.gz KUDZXBFQPPZPEX-UHFFFAOYSA-N 0 0 399.292 3.110 20 30 GGEDRN N#CCCCCNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000178047620 565892549 /nfs/dbraw/zinc/89/25/49/565892549.db2.gz USWCYACNWDJLSV-UHFFFAOYSA-N 0 0 393.329 3.407 20 30 GGEDRN N#Cc1cc(Br)cnc1N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000333710065 565893732 /nfs/dbraw/zinc/89/37/32/565893732.db2.gz PPJCSKPFSCSQNY-OAHLLOKOSA-N 0 0 377.286 3.451 20 30 GGEDRN Cc1ccc(Nc2nnc(SC[C@H](O)CN(C)CCC#N)s2)cc1C ZINC000414096120 565894647 /nfs/dbraw/zinc/89/46/47/565894647.db2.gz LHRZNULKPCFKNJ-OAHLLOKOSA-N 0 0 377.539 3.197 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)cc2)nnc1S(=O)(=O)CCCOC(C)C ZINC000285225572 565895913 /nfs/dbraw/zinc/89/59/13/565895913.db2.gz XHVNZEBAUAYKEI-UHFFFAOYSA-N 0 0 383.901 3.373 20 30 GGEDRN COc1ccc(COC[C@@H](O)COc2cc(Br)ccc2C#N)cc1 ZINC000414153180 565899306 /nfs/dbraw/zinc/89/93/06/565899306.db2.gz YRKYDZORPDCFJM-MRXNPFEDSA-N 0 0 392.249 3.286 20 30 GGEDRN N#Cc1ccccc1OCC(=O)N1CCc2cc(Br)cc(F)c21 ZINC000178150413 565900823 /nfs/dbraw/zinc/90/08/23/565900823.db2.gz HPDODGUKCRTABB-UHFFFAOYSA-N 0 0 375.197 3.428 20 30 GGEDRN Cc1nc(CC(N)=NO[C@@H](C)C(=O)Nc2ccccc2Br)cs1 ZINC000178145413 565900880 /nfs/dbraw/zinc/90/08/80/565900880.db2.gz VJJGQVSIMJNUCJ-VIFPVBQESA-N 0 0 397.298 3.073 20 30 GGEDRN N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC(OC2CCC2)CC1 ZINC000333883975 565901072 /nfs/dbraw/zinc/90/10/72/565901072.db2.gz FHJKTYZIYYJNAY-UHFFFAOYSA-N 0 0 399.310 3.043 20 30 GGEDRN N#Cc1ccc(CNC(=O)c2ccc(F)cc2I)cc1 ZINC000221983289 565904934 /nfs/dbraw/zinc/90/49/34/565904934.db2.gz MFXYEYYEPYJLFQ-UHFFFAOYSA-N 0 0 380.160 3.232 20 30 GGEDRN C=CCSc1ccccc1NC(=O)CNc1cccc(S(C)(=O)=O)c1 ZINC000178231544 565906829 /nfs/dbraw/zinc/90/68/29/565906829.db2.gz AYLCLSHWJDRSOO-UHFFFAOYSA-N 0 0 376.503 3.419 20 30 GGEDRN CC(C)(C)OC(=O)N1CCN(Cc2nc(C(F)(F)F)cs2)[C@H](C#N)C1 ZINC000285469981 565909170 /nfs/dbraw/zinc/90/91/70/565909170.db2.gz KJVUQJGBYMAIJY-SNVBAGLBSA-N 0 0 376.404 3.107 20 30 GGEDRN N#CCCn1ccc(NC(=O)C2(c3cc(F)cc(Br)c3)CC2)n1 ZINC000285475406 565909227 /nfs/dbraw/zinc/90/92/27/565909227.db2.gz LBDAXWPDKXWGAQ-UHFFFAOYSA-N 0 0 377.217 3.369 20 30 GGEDRN C=CCOC[C@H]1NC(=O)N(C[C@H](C)Sc2ccc(Br)cc2)C1=O ZINC000348513897 565914739 /nfs/dbraw/zinc/91/47/39/565914739.db2.gz OOUDKVVWHNWPGA-SMDDNHRTSA-N 0 0 399.310 3.053 20 30 GGEDRN Cc1noc(C)c1C(C)(C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000285557856 565914744 /nfs/dbraw/zinc/91/47/44/565914744.db2.gz VDVQLZNYVBFJOI-UHFFFAOYSA-N 0 0 398.282 3.139 20 30 GGEDRN CN1C(=O)N(c2ccn(CCC#N)n2)C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000348597744 565916115 /nfs/dbraw/zinc/91/61/15/565916115.db2.gz PQXZAHSUKRCXAB-AWEZNQCLSA-N 0 0 378.219 3.243 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000178390298 565916186 /nfs/dbraw/zinc/91/61/86/565916186.db2.gz CNRBIQMKYJPGSK-UHFFFAOYSA-N 0 0 378.251 3.059 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(I)cc1 ZINC000226136576 565918775 /nfs/dbraw/zinc/91/87/75/565918775.db2.gz KOIMRQYVZMRLSS-UHFFFAOYSA-N 0 0 398.225 3.272 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(I)c1 ZINC000226136704 565918859 /nfs/dbraw/zinc/91/88/59/565918859.db2.gz SXKXTVVDSGMSIX-UHFFFAOYSA-N 0 0 398.225 3.272 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000178454175 565919523 /nfs/dbraw/zinc/91/95/23/565919523.db2.gz ABSSXEWHGGSBLS-UHFFFAOYSA-N 0 0 376.243 3.471 20 30 GGEDRN N#C[C@]1(NC(=O)c2ccc(I)c(Cl)c2)CCSC1 ZINC000226788917 565920718 /nfs/dbraw/zinc/92/07/18/565920718.db2.gz WRUDNVWXUBNGAF-GFCCVEGCSA-N 0 0 392.649 3.074 20 30 GGEDRN C=C[C@H](C)NC(=O)c1cc(I)ccc1Br ZINC000227310586 565922514 /nfs/dbraw/zinc/92/25/14/565922514.db2.gz PRXFGEFCHDUTOD-ZETCQYMHSA-N 0 0 380.023 3.358 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000178531388 565924860 /nfs/dbraw/zinc/92/48/60/565924860.db2.gz ASGBOHRCKFTUPH-FUHWJXTLSA-N 0 0 376.865 3.410 20 30 GGEDRN CC(=O)c1cc(Br)ccc1OCC(=O)N(CCC#N)CC1CC1 ZINC000285773861 565925590 /nfs/dbraw/zinc/92/55/90/565925590.db2.gz YDKHWUREXLPNGK-UHFFFAOYSA-N 0 0 379.254 3.183 20 30 GGEDRN C=CCn1c(SCCS(=O)(=O)C(C)C)nnc1-c1ccccc1OC ZINC000178557347 565925644 /nfs/dbraw/zinc/92/56/44/565925644.db2.gz DMARKMOPQKFYQX-UHFFFAOYSA-N 0 0 381.523 3.055 20 30 GGEDRN C=C[C@@H](C)NC(=O)c1cc(Br)ccc1I ZINC000229064264 565925750 /nfs/dbraw/zinc/92/57/50/565925750.db2.gz WMRHJYVMCKEEEO-SSDOTTSWSA-N 0 0 380.023 3.358 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000178545968 565926155 /nfs/dbraw/zinc/92/61/55/565926155.db2.gz SSNJKRTXCWUQLR-UHFFFAOYSA-N 0 0 387.237 3.389 20 30 GGEDRN C=CCCOCCNC(=O)c1ccc(I)c(Cl)c1 ZINC000229930220 565927148 /nfs/dbraw/zinc/92/71/48/565927148.db2.gz FOIHUAHKCYTFIV-UHFFFAOYSA-N 0 0 379.625 3.267 20 30 GGEDRN N#CCCCNC(=O)c1cc(I)ccc1Br ZINC000230168732 565927126 /nfs/dbraw/zinc/92/71/26/565927126.db2.gz ZHFKYMKWANWVQB-UHFFFAOYSA-N 0 0 393.022 3.087 20 30 GGEDRN C=CCN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000178588310 565928480 /nfs/dbraw/zinc/92/84/80/565928480.db2.gz DXQKLCXFRYRTCS-NSHDSACASA-N 0 0 381.803 3.174 20 30 GGEDRN CN(Cc1cc(Br)cs1)S(=O)(=O)c1ccc(C#N)s1 ZINC000230337742 565928691 /nfs/dbraw/zinc/92/86/91/565928691.db2.gz PPXYQINJWGLKPD-UHFFFAOYSA-N 0 0 377.310 3.264 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)c2c[nH]c(=O)c(Br)c2)cc1C#N ZINC000178660719 565931597 /nfs/dbraw/zinc/93/15/97/565931597.db2.gz RBIZABMNVCQUDH-UHFFFAOYSA-N 0 0 376.210 3.049 20 30 GGEDRN CN(C1(C#N)CCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414437351 565932059 /nfs/dbraw/zinc/93/20/59/565932059.db2.gz BPVCWUCEALUBII-UHFFFAOYSA-N 0 0 377.344 3.070 20 30 GGEDRN C[S@](=O)Cc1noc(C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)n1 ZINC000350088934 565932611 /nfs/dbraw/zinc/93/26/11/565932611.db2.gz VAGHCRSUGVULLN-VWLOTQADSA-N 0 0 378.885 3.031 20 30 GGEDRN CC(C)(C)[C@](C)(C#N)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414447821 565934577 /nfs/dbraw/zinc/93/45/77/565934577.db2.gz XZROFJYRELTGBK-ZDUSSCGKSA-N 0 0 379.360 3.220 20 30 GGEDRN N#CC1(C(=O)NCC2(c3ccc(Br)s3)CCC2)CCOCC1 ZINC000285940558 565935198 /nfs/dbraw/zinc/93/51/98/565935198.db2.gz MVWRUZABPZAFDD-UHFFFAOYSA-N 0 0 383.311 3.369 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)c2cc(F)c(Br)c(Cl)c2)C1=O ZINC000285974599 565935853 /nfs/dbraw/zinc/93/58/53/565935853.db2.gz OKMLWJYKHYOYGP-GFCCVEGCSA-N 0 0 389.652 3.101 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)c2cc(F)c(Br)c(Cl)c2)C1=O ZINC000285974603 565936026 /nfs/dbraw/zinc/93/60/26/565936026.db2.gz OKMLWJYKHYOYGP-LBPRGKRZSA-N 0 0 389.652 3.101 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000178769780 565936561 /nfs/dbraw/zinc/93/65/61/565936561.db2.gz LFTSYMRJIFLNRB-SNVBAGLBSA-N 0 0 392.278 3.448 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccc(Br)cc1 ZINC000178826864 565940188 /nfs/dbraw/zinc/94/01/88/565940188.db2.gz DYEVWYHQHPIFJR-SNVBAGLBSA-N 0 0 390.212 3.276 20 30 GGEDRN CC(C)[C@H](Sc1ccc(C#N)cc1Cl)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000178830814 565940537 /nfs/dbraw/zinc/94/05/37/565940537.db2.gz AMVHYXDKGOJLDN-BBRMVZONSA-N 0 0 379.913 3.052 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2cocn2)no1 ZINC000350886203 565943073 /nfs/dbraw/zinc/94/30/73/565943073.db2.gz NYDWUCZVBWDIJO-UHFFFAOYSA-N 0 0 391.181 3.336 20 30 GGEDRN C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](CF)C1 ZINC000414526762 565945062 /nfs/dbraw/zinc/94/50/62/565945062.db2.gz LDIPFCCMWOKMJY-LBPRGKRZSA-N 0 0 399.239 3.207 20 30 GGEDRN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CO)[C@H]1C ZINC000414535509 565946377 /nfs/dbraw/zinc/94/63/77/565946377.db2.gz IOFNVPCZYRXPSK-OLZOCXBDSA-N 0 0 394.317 3.209 20 30 GGEDRN CON1CCC(c2noc(COc3cccc(Br)c3C#N)n2)CC1 ZINC000351293331 565949541 /nfs/dbraw/zinc/94/95/41/565949541.db2.gz CDGPDSRNVPPBAK-UHFFFAOYSA-N 0 0 393.241 3.024 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CN1C(=O)[C@H](c2cccc(Br)c2)N(C)C1=O ZINC000286287464 565951432 /nfs/dbraw/zinc/95/14/32/565951432.db2.gz MGBYFVUWBHWDRP-BPUTZDHNSA-N 0 0 393.281 3.365 20 30 GGEDRN CC(C)(COc1ncccc1Br)NC(=O)c1cccc(CC#N)c1 ZINC000179006867 565952435 /nfs/dbraw/zinc/95/24/35/565952435.db2.gz UDHJAWDOHMYMCN-UHFFFAOYSA-N 0 0 388.265 3.498 20 30 GGEDRN CC(C)(COc1ncccc1Br)NC(=O)Cc1ccc(C#N)cc1 ZINC000179007452 565952514 /nfs/dbraw/zinc/95/25/14/565952514.db2.gz QICNLRZTXKADRI-UHFFFAOYSA-N 0 0 388.265 3.232 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC(n3cc(Cl)cn3)CC2)c(Cl)c1 ZINC000361110653 565965548 /nfs/dbraw/zinc/96/55/48/565965548.db2.gz XAUNAECEFRGFCG-UHFFFAOYSA-N 0 0 385.276 3.087 20 30 GGEDRN CC[C@@H](C#N)NS(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000179228361 565966844 /nfs/dbraw/zinc/96/68/44/565966844.db2.gz 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CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC1(C#N)CCC1 ZINC000416362511 566057134 /nfs/dbraw/zinc/05/71/34/566057134.db2.gz VKOJDXUGQFQUPV-OAHLLOKOSA-N 0 0 392.297 3.014 20 30 GGEDRN N#CCCN(CC(F)(F)F)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180348164 566057236 /nfs/dbraw/zinc/05/72/36/566057236.db2.gz VODROIBVCXZWQM-UHFFFAOYSA-N 0 0 380.120 3.275 20 30 GGEDRN CNC(=O)CC1S/C(=N\[C@H](C)c2cccs2)N(CCSC(C)C)C1=O ZINC000288133933 566057824 /nfs/dbraw/zinc/05/78/24/566057824.db2.gz MVFRFYNWTXGHSA-UZLLHMFJSA-N 0 0 399.607 3.387 20 30 GGEDRN Cc1cc([C@H]2CCCN2S(=O)(=O)c2cc(Br)ccc2C#N)on1 ZINC000416370676 566058583 /nfs/dbraw/zinc/05/85/83/566058583.db2.gz KMSXIAMEZUSIJH-CYBMUJFWSA-N 0 0 396.266 3.143 20 30 GGEDRN CNC(=O)CC1S/C(=N\[C@H](C)c2cccs2)N(CCSC(C)C)C1=O ZINC000288133939 566059006 /nfs/dbraw/zinc/05/90/06/566059006.db2.gz MVFRFYNWTXGHSA-YSNXJGNNSA-N 0 0 399.607 3.387 20 30 GGEDRN N#Cc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccn1)C1CC1 ZINC000416376541 566059261 /nfs/dbraw/zinc/05/92/61/566059261.db2.gz 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C[C@H](C#N)S(=O)(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 ZINC000416391805 566061653 /nfs/dbraw/zinc/06/16/53/566061653.db2.gz RYLSCMYBRDDWRD-SKDRFNHKSA-N 0 0 375.313 3.160 20 30 GGEDRN CCC(CC)CN(CCC#N)S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416389952 566061660 /nfs/dbraw/zinc/06/16/60/566061660.db2.gz OPARCSRSIWJXQV-UHFFFAOYSA-N 0 0 386.901 3.467 20 30 GGEDRN CS(=O)(=O)N(Cc1ccc(F)cc1Br)c1cccc(C#N)c1 ZINC000247507932 566062482 /nfs/dbraw/zinc/06/24/82/566062482.db2.gz HNPQJSUDKMSBBJ-UHFFFAOYSA-N 0 0 383.242 3.426 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)NCCCCSc1ccccc1Br ZINC000416401334 566063677 /nfs/dbraw/zinc/06/36/77/566063677.db2.gz UAINUXRPFCHHIP-LLVKDONJSA-N 0 0 377.329 3.153 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000416406869 566063862 /nfs/dbraw/zinc/06/38/62/566063862.db2.gz GXOQVYAYZOBSFM-LLVKDONJSA-N 0 0 377.293 3.326 20 30 GGEDRN N#Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)cc1Cl ZINC000247659404 566064294 /nfs/dbraw/zinc/06/42/94/566064294.db2.gz RKONWVSCKAXQFP-UHFFFAOYSA-N 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N#Cc1ccc(Br)cc1S(=O)(=O)NCC1(C(F)(F)F)CCC1 ZINC000416491609 566075008 /nfs/dbraw/zinc/07/50/08/566075008.db2.gz ZTWVHIUUABDVNC-UHFFFAOYSA-N 0 0 397.216 3.332 20 30 GGEDRN C[C@H](C#N)S(=O)(=O)NCC(C)(C)c1ccc(Br)cc1Cl ZINC000416489476 566075021 /nfs/dbraw/zinc/07/50/21/566075021.db2.gz QEIFQBLCQQXUFO-SECBINFHSA-N 0 0 379.707 3.212 20 30 GGEDRN Cc1cc(CN2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1Br ZINC000180586194 566075097 /nfs/dbraw/zinc/07/50/97/566075097.db2.gz FMMJILLGCGJXQJ-AWEZNQCLSA-N 0 0 386.297 3.130 20 30 GGEDRN CSC[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416491816 566075426 /nfs/dbraw/zinc/07/54/26/566075426.db2.gz ZZRSJKFEUIYINE-LLVKDONJSA-N 0 0 389.340 3.084 20 30 GGEDRN COCC(C)(C)CCCNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416486760 566075432 /nfs/dbraw/zinc/07/54/32/566075432.db2.gz JNKVDWFXUFFJCE-UHFFFAOYSA-N 0 0 389.315 3.052 20 30 GGEDRN C[C@@H](C#N)S(=O)(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000416491503 566075485 /nfs/dbraw/zinc/07/54/85/566075485.db2.gz 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C=C[C@@H]1OCCC[C@H]1NCc1c(Br)cncc1Br ZINC000419714862 566242533 /nfs/dbraw/zinc/24/25/33/566242533.db2.gz UPXSDBADAYZWSS-OLZOCXBDSA-N 0 0 376.092 3.430 20 30 GGEDRN CC(C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419720947 566242647 /nfs/dbraw/zinc/24/26/47/566242647.db2.gz YHYFNAUZENEJPY-LBPRGKRZSA-N 0 0 378.270 3.154 20 30 GGEDRN CCC[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1Br)C1CCC1 ZINC000419722393 566242723 /nfs/dbraw/zinc/24/27/23/566242723.db2.gz BIWZMKDWJDMZAF-CYBMUJFWSA-N 0 0 378.270 3.344 20 30 GGEDRN C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419737329 566242904 /nfs/dbraw/zinc/24/29/04/566242904.db2.gz XTIZVUAUPJYSOD-DGCLKSJQSA-N 0 0 378.270 3.344 20 30 GGEDRN N#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[C@H]2C2CC2)c1Br ZINC000419729735 566243062 /nfs/dbraw/zinc/24/30/62/566243062.db2.gz MCKRQEJDNFKRJL-KGLIPLIRSA-N 0 0 390.281 3.202 20 30 GGEDRN CC(C)[C@@H]1N(C(=O)C(=O)Nc2cccc(C#N)c2Br)CC12CCC2 ZINC000419748988 566243640 /nfs/dbraw/zinc/24/36/40/566243640.db2.gz 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C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1nccs1 ZINC000508918979 566250854 /nfs/dbraw/zinc/25/08/54/566250854.db2.gz GQAUAONAKCREAW-UHFFFAOYSA-N 0 0 379.287 3.315 20 30 GGEDRN N#CCN1CCC[C@@H](CNC(=O)c2ccc(Br)c(Cl)c2F)C1 ZINC000444779532 566251331 /nfs/dbraw/zinc/25/13/31/566251331.db2.gz CCVPNGIFMDDWTO-JTQLQIEISA-N 0 0 388.668 3.207 20 30 GGEDRN N#CCN1CCC[C@H](CNC(=O)c2cc(Cl)cc(Br)c2F)C1 ZINC000444781666 566251428 /nfs/dbraw/zinc/25/14/28/566251428.db2.gz HRJAZWVHXWMHQG-SNVBAGLBSA-N 0 0 388.668 3.207 20 30 GGEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCCCO1 ZINC000508920831 566251619 /nfs/dbraw/zinc/25/16/19/566251619.db2.gz KHLJVHZRIWUQTF-CYBMUJFWSA-N 0 0 380.290 3.227 20 30 GGEDRN C=CCn1c(-c2ccccc2Br)nnc1N1CC[C@H](COC)C1 ZINC000508956863 566251662 /nfs/dbraw/zinc/25/16/62/566251662.db2.gz URXRYDCQDKGRFB-ZDUSSCGKSA-N 0 0 377.286 3.366 20 30 GGEDRN N#Cc1ccc2c(c1)N(C(=O)COc1ccc(F)cc1Br)CC2 ZINC000555771674 566251768 /nfs/dbraw/zinc/25/17/68/566251768.db2.gz AVGGNCQTIJZFOV-UHFFFAOYSA-N 0 0 375.197 3.428 20 30 GGEDRN C=CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](COCC)C1 ZINC000508920123 566251831 /nfs/dbraw/zinc/25/18/31/566251831.db2.gz SVCFISQZNSRLPU-ZDUSSCGKSA-N 0 0 394.317 3.095 20 30 GGEDRN C=CCn1c([C@H]2CCOC2)nnc1N(C)Cc1cc(Br)cs1 ZINC000508939833 566251839 /nfs/dbraw/zinc/25/18/39/566251839.db2.gz VEFKREYRRVYZAS-NSHDSACASA-N 0 0 383.315 3.428 20 30 GGEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H]1CCCCO1 ZINC000508920832 566251924 /nfs/dbraw/zinc/25/19/24/566251924.db2.gz KHLJVHZRIWUQTF-ZDUSSCGKSA-N 0 0 380.290 3.227 20 30 GGEDRN C=CCN(CCOC)C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000462129445 566251832 /nfs/dbraw/zinc/25/18/32/566251832.db2.gz QXFRLSUZMKJMBJ-UHFFFAOYSA-N 0 0 380.286 3.317 20 30 GGEDRN C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CC[C@H](C(=O)OC)C1 ZINC000508949877 566251983 /nfs/dbraw/zinc/25/19/83/566251983.db2.gz IQXPFWWNWJBYNE-NSHDSACASA-N 0 0 381.263 3.437 20 30 GGEDRN Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC(CC#N)CC1 ZINC000599273068 566252337 /nfs/dbraw/zinc/25/23/37/566252337.db2.gz 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CCn1c(Cn2cc(Br)cc(C#N)c2=O)nc2c1cccc2F ZINC000575165656 566256131 /nfs/dbraw/zinc/25/61/31/566256131.db2.gz UWIYGDGHHQGDEF-UHFFFAOYSA-N 0 0 375.201 3.039 20 30 GGEDRN C[C@H](C(=O)NCc1nc2cc(Br)cnc2[nH]1)c1cccc(C#N)c1 ZINC000462149807 566256192 /nfs/dbraw/zinc/25/61/92/566256192.db2.gz GPIWDNIQSSIBGI-JTQLQIEISA-N 0 0 384.237 3.012 20 30 GGEDRN N#CCCN(CCC#N)S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000462144282 566256260 /nfs/dbraw/zinc/25/62/60/566256260.db2.gz YPLUJKYFKNTZQM-UHFFFAOYSA-N 0 0 380.882 3.282 20 30 GGEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC000509011272 566256372 /nfs/dbraw/zinc/25/63/72/566256372.db2.gz MKPUOCDCKALGLG-CQSZACIVSA-N 0 0 394.317 3.473 20 30 GGEDRN COc1ccc(S(=O)(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c(Br)c1 ZINC000481857488 566257084 /nfs/dbraw/zinc/25/70/84/566257084.db2.gz REQMVDRJFWMLNU-ABAIWWIYSA-N 0 0 387.299 3.208 20 30 GGEDRN COc1ccc(Br)c([C@@H]2C(=O)N(CCCCC#N)C(=O)N2C)c1 ZINC000420001310 566257234 /nfs/dbraw/zinc/25/72/34/566257234.db2.gz 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ZINC000483268569 566369684 /nfs/dbraw/zinc/36/96/84/566369684.db2.gz KKWALPCYLYOUAL-QGZVFWFLSA-N 0 0 388.240 3.133 20 30 GGEDRN CCCC1(CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CCC1 ZINC000576689512 566369863 /nfs/dbraw/zinc/36/98/63/566369863.db2.gz LTRRUQAHBNRBKU-UHFFFAOYSA-N 0 0 378.270 3.346 20 30 GGEDRN Cc1c(Br)cccc1CN(C)S(=O)(=O)c1cccc(C#N)c1 ZINC000536376027 566369999 /nfs/dbraw/zinc/36/99/99/566369999.db2.gz RHTWXKRRANPTOE-UHFFFAOYSA-N 0 0 379.279 3.450 20 30 GGEDRN N#CCc1ccc(CN2CCNC(=O)[C@H]2c2ccc(Br)cc2)cc1 ZINC000483260821 566369979 /nfs/dbraw/zinc/36/99/79/566369979.db2.gz CTUGXNHPTQKQIM-GOSISDBHSA-N 0 0 384.277 3.188 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000557187290 566370631 /nfs/dbraw/zinc/37/06/31/566370631.db2.gz VQRQVECTJDOJPZ-GOSISDBHSA-N 0 0 381.314 3.327 20 30 GGEDRN C=CCNC(=O)c1ccc(NC[C@H](C)Oc2ccc(Br)cc2)nc1 ZINC000462952104 566371709 /nfs/dbraw/zinc/37/17/09/566371709.db2.gz IFNMQSXDPKODFP-ZDUSSCGKSA-N 0 0 390.281 3.061 20 30 GGEDRN CS(=O)(=O)c1ccc(-c2nc(C[S@@](=O)CCCCC#N)cs2)cc1 ZINC000462985089 566373837 /nfs/dbraw/zinc/37/38/37/566373837.db2.gz CJVIGUCWIHVINW-QHCPKHFHSA-N 0 0 382.532 3.156 20 30 GGEDRN C=CCn1c(S[C@@H](C(N)=O)C(C)C)nnc1-c1ccc(Br)cc1 ZINC000557218888 566373974 /nfs/dbraw/zinc/37/39/74/566373974.db2.gz GTFSUOLDHYZFSI-CYBMUJFWSA-N 0 0 395.326 3.496 20 30 GGEDRN CS(=O)(=O)c1ccc(-c2nc(C[S@](=O)CCCCC#N)cs2)cc1 ZINC000462985088 566374262 /nfs/dbraw/zinc/37/42/62/566374262.db2.gz CJVIGUCWIHVINW-HSZRJFAPSA-N 0 0 382.532 3.156 20 30 GGEDRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NCc1cc(C#N)n(C)c1 ZINC000483350702 566374869 /nfs/dbraw/zinc/37/48/69/566374869.db2.gz HSXBTAWQFUFFDB-QGZVFWFLSA-N 0 0 380.275 3.468 20 30 GGEDRN CC1(C)CN(Cc2cc(C#N)ccc2Br)C[C@]2(CCCOC2)O1 ZINC000483335148 566375139 /nfs/dbraw/zinc/37/51/39/566375139.db2.gz FAOZPLPLMYTXJH-SFHVURJKSA-N 0 0 379.298 3.481 20 30 GGEDRN C[C@@H](CC#N)N(C)S(=O)(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000510326397 566375599 /nfs/dbraw/zinc/37/55/99/566375599.db2.gz YMBWSIAOZXZDEH-LBPRGKRZSA-N 0 0 375.416 3.153 20 30 GGEDRN C=CCn1c(CC(C)C)nnc1N(CCO)Cc1cccc(Br)c1 ZINC000576791630 566377269 /nfs/dbraw/zinc/37/72/69/566377269.db2.gz IYLILRAVTUHGOH-UHFFFAOYSA-N 0 0 393.329 3.424 20 30 GGEDRN C[C@H](CCNS(=O)(=O)N(C)[C@H](C)CC#N)c1cccc(C(F)(F)F)c1 ZINC000510359603 566378473 /nfs/dbraw/zinc/37/84/73/566378473.db2.gz BYKKDQFQWQKVAV-CHWSQXEVSA-N 0 0 377.432 3.267 20 30 GGEDRN N#CC1(F)CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000510393045 566379162 /nfs/dbraw/zinc/37/91/62/566379162.db2.gz MBOPDAQUNQPWKL-UHFFFAOYSA-N 0 0 381.654 3.119 20 30 GGEDRN CC(C)N(CCC#N)C(=O)CCOc1cccc(I)c1 ZINC000576800080 566379215 /nfs/dbraw/zinc/37/92/15/566379215.db2.gz BYWQRWGPORATND-UHFFFAOYSA-N 0 0 386.233 3.211 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)CC(=O)Nc2cccc(Cl)c2Cl)c(F)c1 ZINC000463063328 566380068 /nfs/dbraw/zinc/38/00/68/566380068.db2.gz CBTMXDYOCQGALU-UHFFFAOYSA-N 0 0 387.219 3.417 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2F)c(F)c1 ZINC000463063535 566380099 /nfs/dbraw/zinc/38/00/99/566380099.db2.gz HSIPEEVDXMVUHI-UHFFFAOYSA-N 0 0 384.791 3.292 20 30 GGEDRN Cc1c(Cl)cccc1NC(=O)[C@H](C)S(=O)(=O)c1ccc(C#N)cc1F ZINC000463060810 566380236 /nfs/dbraw/zinc/38/02/36/566380236.db2.gz BJCSHERYUXRJCR-NSHDSACASA-N 0 0 380.828 3.460 20 30 GGEDRN C=CCSc1ccccc1C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 ZINC000557369647 566381316 /nfs/dbraw/zinc/38/13/16/566381316.db2.gz OPNOCALOMMWDJI-UHFFFAOYSA-N 0 0 380.466 3.264 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Cc2noc(-c3ccc(Cl)cc3)n2)c(F)c1 ZINC000463068232 566381996 /nfs/dbraw/zinc/38/19/96/566381996.db2.gz QOQOJXSPIYUHCE-UHFFFAOYSA-N 0 0 377.784 3.375 20 30 GGEDRN C=CCN(CCC#N)C(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000557398034 566382177 /nfs/dbraw/zinc/38/21/77/566382177.db2.gz SJMPZWFBTNIHBF-AWEZNQCLSA-N 0 0 390.281 3.039 20 30 GGEDRN COc1ccsc1S(=O)(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000536555704 566382622 /nfs/dbraw/zinc/38/26/22/566382622.db2.gz OCCQMPUCQHARCN-LLVKDONJSA-N 0 0 376.381 3.319 20 30 GGEDRN COc1cccc(COCC(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 ZINC000536552071 566383455 /nfs/dbraw/zinc/38/34/55/566383455.db2.gz JRXIVZNHQXCYKM-KRWDZBQOSA-N 0 0 389.249 3.355 20 30 GGEDRN N#Cc1ccc(C(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)cc1 ZINC000557418174 566383825 /nfs/dbraw/zinc/38/38/25/566383825.db2.gz SZPYATKQZRWOQU-UHFFFAOYSA-N 0 0 399.248 3.453 20 30 GGEDRN N#Cc1cccc(C(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)c1 ZINC000557418194 566384868 /nfs/dbraw/zinc/38/48/68/566384868.db2.gz URWMPLRHATYPEM-UHFFFAOYSA-N 0 0 399.248 3.453 20 30 GGEDRN CC(C)(C#N)CC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000557416325 566384936 /nfs/dbraw/zinc/38/49/36/566384936.db2.gz MFVXKSZXXMXPBK-UHFFFAOYSA-N 0 0 379.258 3.207 20 30 GGEDRN C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCOCC1 ZINC000463109222 566384997 /nfs/dbraw/zinc/38/49/97/566384997.db2.gz VZQOMLWECHXFCV-UHFFFAOYSA-N 0 0 393.285 3.129 20 30 GGEDRN CO[C@@H](CC(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)C(F)(F)F ZINC000649690728 566385294 /nfs/dbraw/zinc/38/52/94/566385294.db2.gz OVZSMGMRDSYYIS-QMMMGPOBSA-N 0 0 378.244 3.267 20 30 GGEDRN CO[C@H](CC(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)C(F)(F)F ZINC000649690727 566385887 /nfs/dbraw/zinc/38/58/87/566385887.db2.gz OVZSMGMRDSYYIS-MRVPVSSYSA-N 0 0 378.244 3.267 20 30 GGEDRN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(C#N)s1 ZINC000421604635 566386918 /nfs/dbraw/zinc/38/69/18/566386918.db2.gz ZSSOMBOIVPAUFB-MRXNPFEDSA-N 0 0 375.881 3.344 20 30 GGEDRN COc1cc(C(=O)N[C@](C)(C#N)CCSC)cc(OC)c1Br ZINC000576904438 566387572 /nfs/dbraw/zinc/38/75/72/566387572.db2.gz UKUGPEPANSWKGO-HNNXBMFYSA-N 0 0 387.299 3.231 20 30 GGEDRN Cc1nc(NC(=O)c2ccccc2S[C@@H](C)C(N)=O)sc1SCC#N ZINC000510496930 566387746 /nfs/dbraw/zinc/38/77/46/566387746.db2.gz QOBKMAQSSYBHBU-JTQLQIEISA-N 0 0 392.531 3.285 20 30 GGEDRN Cc1nc(NC(=O)c2ccccc2S[C@H](C)C(N)=O)sc1SCC#N ZINC000510496931 566388236 /nfs/dbraw/zinc/38/82/36/566388236.db2.gz QOBKMAQSSYBHBU-SNVBAGLBSA-N 0 0 392.531 3.285 20 30 GGEDRN N#Cc1ccc(CNC(=O)C[S@](=O)Cc2cccc(Cl)c2Cl)cc1 ZINC000447136555 566389359 /nfs/dbraw/zinc/38/93/59/566389359.db2.gz CBPWLNWGDDBPLX-XMMPIXPASA-N 0 0 381.284 3.430 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000670926479 566389710 /nfs/dbraw/zinc/38/97/10/566389710.db2.gz KWGJXUPWAZNBNN-MKBNYLNASA-N 0 0 385.291 3.268 20 30 GGEDRN Cc1ccc(Br)cc1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000557473547 566389686 /nfs/dbraw/zinc/38/96/86/566389686.db2.gz ZTDLURDAMHWCGC-HNNXBMFYSA-N 0 0 386.249 3.318 20 30 GGEDRN N#Cc1ccnc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1Cl ZINC000557510276 566391708 /nfs/dbraw/zinc/39/17/08/566391708.db2.gz LXEWMRAHCCINCC-UHFFFAOYSA-N 0 0 375.259 3.151 20 30 GGEDRN Cc1ccc(F)c(NC(=O)C(=O)NCc2ccc(C#N)cc2)c1Br ZINC000483578161 566392104 /nfs/dbraw/zinc/39/21/04/566392104.db2.gz DQNYRGMNXXXAFK-UHFFFAOYSA-N 0 0 390.212 3.023 20 30 GGEDRN C=CCN(C(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O)C1CC1 ZINC000463225080 566392832 /nfs/dbraw/zinc/39/28/32/566392832.db2.gz NYMRSUQEOSNCOQ-MRXNPFEDSA-N 0 0 392.297 3.223 20 30 GGEDRN C=C(C)CN(CC)C(=O)CNc1cc(F)c(F)cc1I ZINC000463227357 566393289 /nfs/dbraw/zinc/39/32/89/566393289.db2.gz RJIJPCGMAMBFEG-UHFFFAOYSA-N 0 0 394.203 3.406 20 30 GGEDRN CS[C@@H](CNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)C(C)(C)C ZINC000483601325 566393848 /nfs/dbraw/zinc/39/38/48/566393848.db2.gz NMYICHLGLODTRM-DOMZBBRYSA-N 0 0 383.539 3.272 20 30 GGEDRN C=C[C@@H](CC(=O)Nc1ccncc1I)c1ccccc1 ZINC000483614886 566393853 /nfs/dbraw/zinc/39/38/53/566393853.db2.gz BAMXWDIJBQODEG-LBPRGKRZSA-N 0 0 378.213 3.407 20 30 GGEDRN C=C(C)[C@@H]1OCCC[C@@H]1c1nc(Cc2cc(Br)c[nH]c2=O)no1 ZINC000576967839 566394460 /nfs/dbraw/zinc/39/44/60/566394460.db2.gz AFCTXPVYMLMRTE-JSGCOSHPSA-N 0 0 380.242 3.362 20 30 GGEDRN N#Cc1cccc2c1CCN2C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000421653251 566394603 /nfs/dbraw/zinc/39/46/03/566394603.db2.gz XRGSGDYVPNMNKD-UHFFFAOYSA-N 0 0 399.244 3.224 20 30 GGEDRN O=S(=O)(CC1CC(F)(F)C1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000649817005 566396999 /nfs/dbraw/zinc/39/69/99/566396999.db2.gz TVZFHNMBYGTTPH-HTQZYQBOSA-N 0 0 375.281 3.034 20 30 GGEDRN N#CCCN(CC(F)(F)F)C(=O)c1ccc2cncc(Br)c2n1 ZINC000601260022 566397168 /nfs/dbraw/zinc/39/71/68/566397168.db2.gz KDLLAEJHZBKERW-UHFFFAOYSA-N 0 0 387.159 3.310 20 30 GGEDRN N#Cc1cccc(NC(=O)CN2CCc3cc(Br)cc(F)c3C2)c1 ZINC000557581803 566399153 /nfs/dbraw/zinc/39/91/53/566399153.db2.gz HVMGYIUFFWWNMH-UHFFFAOYSA-N 0 0 388.240 3.457 20 30 GGEDRN CC(=O)N1CCC(CCC(=O)N[C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000463304014 566399433 /nfs/dbraw/zinc/39/94/33/566399433.db2.gz BPKZYTKNYOVQNX-QGZVFWFLSA-N 0 0 392.297 3.169 20 30 GGEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1C1CC1 ZINC000447268719 566399837 /nfs/dbraw/zinc/39/98/37/566399837.db2.gz XBWSZXQUTKZKJQ-JTQLQIEISA-N 0 0 392.933 3.078 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1c1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1 ZINC000577035614 566400323 /nfs/dbraw/zinc/40/03/23/566400323.db2.gz KGPVLAWEQRXBSW-PWSUYJOCSA-N 0 0 389.260 3.409 20 30 GGEDRN COCCSCCCn1cc(C#N)c(=O)c2cc(Br)ccc21 ZINC000447295067 566400820 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C=CCN(Cc1cccs1)C(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1 ZINC000448132080 566459431 /nfs/dbraw/zinc/45/94/31/566459431.db2.gz GMEVPCSXVGWADQ-SFHVURJKSA-N 0 0 377.531 3.481 20 30 GGEDRN Cc1ccc(Br)cc1NC(=O)CCNc1ncc2c(c1C#N)CCC2 ZINC000577743905 566460925 /nfs/dbraw/zinc/46/09/25/566460925.db2.gz SUYVEAYPDSANRB-UHFFFAOYSA-N 0 0 399.292 3.376 20 30 GGEDRN N#Cc1cncc(S(=O)(=O)N2CCC[C@H]2c2cccc(Br)c2)c1 ZINC000577733440 566461113 /nfs/dbraw/zinc/46/11/13/566461113.db2.gz NBCCBJYFPMVPHI-INIZCTEOSA-N 0 0 392.278 3.242 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCCSCC(F)(F)F)cc1C(F)(F)F ZINC000537656879 566461453 /nfs/dbraw/zinc/46/14/53/566461453.db2.gz LMNQKFZKHVTQEQ-UHFFFAOYSA-N 0 0 392.346 3.151 20 30 GGEDRN N#CCCCS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000511431258 566464302 /nfs/dbraw/zinc/46/43/02/566464302.db2.gz QWDJBLKTMZHLAX-UHFFFAOYSA-N 0 0 395.834 3.114 20 30 GGEDRN CN(Cc1cc(Br)cs1)C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000577788123 566464442 /nfs/dbraw/zinc/46/44/42/566464442.db2.gz 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C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnc2n[nH]nc2c1 ZINC000537835787 566475551 /nfs/dbraw/zinc/47/55/51/566475551.db2.gz AAWZAOLHXPQVAA-UHFFFAOYSA-N 0 0 390.216 3.083 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000464421573 566475635 /nfs/dbraw/zinc/47/56/35/566475635.db2.gz NETPWCFSCFLPJB-RISCZKNCSA-N 0 0 380.828 3.194 20 30 GGEDRN N#Cc1ccc(CC(=O)Nc2ccnn2-c2ccc(Br)cn2)cc1 ZINC000448537963 566476797 /nfs/dbraw/zinc/47/67/97/566476797.db2.gz MSYUQGUTAPZHOG-UHFFFAOYSA-N 0 0 382.221 3.083 20 30 GGEDRN CO[C@H](CN1CCN(c2snc(C)c2C#N)CC1)c1ccc(Cl)cc1 ZINC000558471251 566477069 /nfs/dbraw/zinc/47/70/69/566477069.db2.gz OJTGXOBMMOJBFW-QGZVFWFLSA-N 0 0 376.913 3.486 20 30 GGEDRN Cc1cn2c(ncc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)c2=O)s1 ZINC000537858430 566477210 /nfs/dbraw/zinc/47/72/10/566477210.db2.gz ZXMVZBRAMBQJTN-LBPRGKRZSA-N 0 0 393.255 3.366 20 30 GGEDRN N#Cc1cccc(C(=O)Nc2nnc(C3CCOCC3)s2)c1Br ZINC000577934307 566477656 /nfs/dbraw/zinc/47/76/56/566477656.db2.gz XTZKOYRMAKYXGS-UHFFFAOYSA-N 0 0 393.266 3.319 20 30 GGEDRN CSc1cc(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)ccn1 ZINC000537869786 566477765 /nfs/dbraw/zinc/47/77/65/566477765.db2.gz ZAZDMCWLTUENKT-UHFFFAOYSA-N 0 0 387.408 3.172 20 30 GGEDRN C=CCCCN(C)C(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000627351684 566478399 /nfs/dbraw/zinc/47/83/99/566478399.db2.gz ZVTSUWSKKBDXAY-UHFFFAOYSA-N 0 0 377.282 3.252 20 30 GGEDRN C=CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000448575904 566478903 /nfs/dbraw/zinc/47/89/03/566478903.db2.gz XCDBYLZUTJKFEF-UHFFFAOYSA-N 0 0 391.320 3.039 20 30 GGEDRN N#Cc1cc(Br)ccc1C(=O)N1CCN(Cc2cccs2)CC1 ZINC000448590451 566480892 /nfs/dbraw/zinc/48/08/92/566480892.db2.gz RFDVOLVERDOKIC-UHFFFAOYSA-N 0 0 390.306 3.340 20 30 GGEDRN O=C(N[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1cccc(F)c1OC(F)(F)F ZINC000627481657 566483307 /nfs/dbraw/zinc/48/33/07/566483307.db2.gz GOYCEWVDEHOAGO-JMCQJSRRSA-N 0 0 375.240 3.300 20 30 GGEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccc(Br)s2)n1 ZINC000511705755 566483416 /nfs/dbraw/zinc/48/34/16/566483416.db2.gz FXDQKTWYWDZCSV-UHFFFAOYSA-N 0 0 391.225 3.381 20 30 GGEDRN CN1CCN(C(=O)c2cccc(C#N)c2Br)[C@@H](c2ccccc2)C1 ZINC000448636115 566483415 /nfs/dbraw/zinc/48/34/15/566483415.db2.gz XICNKCZXGBEWQI-QGZVFWFLSA-N 0 0 384.277 3.450 20 30 GGEDRN O=C(N[C@H]1CC[C@@](O)(C(F)(F)F)C1)c1cccc(F)c1OC(F)(F)F ZINC000627481660 566483653 /nfs/dbraw/zinc/48/36/53/566483653.db2.gz GOYCEWVDEHOAGO-MADCSZMMSA-N 0 0 375.240 3.300 20 30 GGEDRN N#Cc1cccc(C(=O)N2CCN(CCc3ccccc3)CC2)c1Br ZINC000448621637 566483746 /nfs/dbraw/zinc/48/37/46/566483746.db2.gz KLPOOEHJMSFRDA-UHFFFAOYSA-N 0 0 398.304 3.321 20 30 GGEDRN C=C(C)Cn1c(Cc2nc(C)cs2)nnc1N1CC(F)(F)C(F)(F)C1 ZINC000578012726 566484284 /nfs/dbraw/zinc/48/42/84/566484284.db2.gz WHSAUWDLXYMMOW-UHFFFAOYSA-N 0 0 375.395 3.301 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000511734706 566484550 /nfs/dbraw/zinc/48/45/50/566484550.db2.gz ORFFFKYCGGQKRS-CXAGYDPISA-N 0 0 390.281 3.346 20 30 GGEDRN C=C(CC)CN1C(=O)N[C@@](C)(c2ccc(I)cc2)C1=O ZINC000538000248 566484806 /nfs/dbraw/zinc/48/48/06/566484806.db2.gz LSKMZZURNBIWQO-HNNXBMFYSA-N 0 0 384.217 3.024 20 30 GGEDRN N#Cc1cccc(C(=O)NCc2ccc(N3CCCC3)nc2)c1Br ZINC000448657654 566485513 /nfs/dbraw/zinc/48/55/13/566485513.db2.gz SQINHZPHRUCXPY-UHFFFAOYSA-N 0 0 385.265 3.246 20 30 GGEDRN C=C(CC)CSc1nc2ccsc2c(=O)n1CCCN1CCOCC1 ZINC000538007836 566485769 /nfs/dbraw/zinc/48/57/69/566485769.db2.gz LKIYZTGGGYIGCT-UHFFFAOYSA-N 0 0 379.551 3.239 20 30 GGEDRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NS(=O)(=O)CCCCC#N ZINC000538012241 566485897 /nfs/dbraw/zinc/48/58/97/566485897.db2.gz OMUVBKFDAOSIRU-WFASDCNBSA-N 0 0 389.315 3.138 20 30 GGEDRN C[C@@H](NCc1cccc(C#N)n1)c1ccc(Br)cc1OCCCO ZINC000602675549 566486931 /nfs/dbraw/zinc/48/69/31/566486931.db2.gz KOXIFZFDNIACQH-CYBMUJFWSA-N 0 0 390.281 3.328 20 30 GGEDRN Cc1cc([C@@H](C#N)C(=O)c2ccc(I)c(F)c2)nc(C)n1 ZINC000511744253 566487053 /nfs/dbraw/zinc/48/70/53/566487053.db2.gz WILNAOLXDFCYTB-LLVKDONJSA-N 0 0 395.175 3.327 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)CN1CCc2c(Br)ccc(Cl)c2C1 ZINC000464576585 566487105 /nfs/dbraw/zinc/48/71/05/566487105.db2.gz FTPMXLCSUZVEAK-GFCCVEGCSA-N 0 0 398.732 3.469 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(I)cc1Cl ZINC000448688323 566488371 /nfs/dbraw/zinc/48/83/71/566488371.db2.gz BFBTUGFNVSAFIV-SKDRFNHKSA-N 0 0 377.609 3.474 20 30 GGEDRN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)CO2 ZINC000578079486 566489402 /nfs/dbraw/zinc/48/94/02/566489402.db2.gz PQEISAVMBLUEPS-HNNXBMFYSA-N 0 0 393.262 3.041 20 30 GGEDRN C[C@H](Nc1cccc(Br)c1C#N)c1cccc(S(N)(=O)=O)c1 ZINC000558592282 566490213 /nfs/dbraw/zinc/49/02/13/566490213.db2.gz CNNJRKMJWYOCSM-JTQLQIEISA-N 0 0 380.267 3.141 20 30 GGEDRN O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000511849117 566490842 /nfs/dbraw/zinc/49/08/42/566490842.db2.gz OQCUALQWFFKRQZ-GHMZBOCLSA-N 0 0 378.332 3.400 20 30 GGEDRN C=CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000448734372 566491526 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Cc1noc([C@@H]2CCCN(C(=O)c3cccc(C#N)c3Br)C2)n1 ZINC000448758841 566493294 /nfs/dbraw/zinc/49/32/94/566493294.db2.gz LNENHHWAPGQGEH-GFCCVEGCSA-N 0 0 375.226 3.032 20 30 GGEDRN C[C@@H](C#N)CNC(=O)C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000538109158 566494204 /nfs/dbraw/zinc/49/42/04/566494204.db2.gz FIUKJHWLMAEOTP-ZETCQYMHSA-N 0 0 398.168 3.149 20 30 GGEDRN CCOC(=O)C1CCC(NC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000448764142 566494573 /nfs/dbraw/zinc/49/45/73/566494573.db2.gz QQNFLKIGDRLBKG-UHFFFAOYSA-N 0 0 379.254 3.172 20 30 GGEDRN Cc1cnc(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)[nH]c1=O ZINC000578144154 566495098 /nfs/dbraw/zinc/49/50/98/566495098.db2.gz JVRAOFQVPWKBGW-UHFFFAOYSA-N 0 0 376.869 3.491 20 30 GGEDRN N#Cc1ccc(NC(=O)c2cc(Br)c3c(c2)OCCO3)cc1F ZINC000464651564 566495137 /nfs/dbraw/zinc/49/51/37/566495137.db2.gz RRAPFTGXSYXMMA-UHFFFAOYSA-N 0 0 377.169 3.483 20 30 GGEDRN N#C[C@]1(C(=O)N2CCC(n3cc(Br)cn3)CC2)CC12CCCC2 ZINC000578147376 566495133 /nfs/dbraw/zinc/49/51/33/566495133.db2.gz 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JIEGBAYMBGGFLI-AWEZNQCLSA-N 0 0 393.310 3.233 20 30 GGEDRN Cc1csc([C@@H](C)NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)n1 ZINC000559604235 566561241 /nfs/dbraw/zinc/56/12/41/566561241.db2.gz AVAJFHNXAPSIQV-SNVBAGLBSA-N 0 0 376.507 3.498 20 30 GGEDRN CC(C)(C)[C@@](C)(C#N)NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000486145057 566561747 /nfs/dbraw/zinc/56/17/47/566561747.db2.gz PVWBNIWQTXDLRY-YVEFUNNKSA-N 0 0 378.270 3.319 20 30 GGEDRN CCS[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc(Br)c1C#N ZINC000578876385 566561754 /nfs/dbraw/zinc/56/17/54/566561754.db2.gz SCAHYELIRHTKHN-OLZOCXBDSA-N 0 0 389.340 3.273 20 30 GGEDRN CC(C)(C)[C@](C)(C#N)NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000486145054 566562168 /nfs/dbraw/zinc/56/21/68/566562168.db2.gz PVWBNIWQTXDLRY-PXAZEXFGSA-N 0 0 378.270 3.319 20 30 GGEDRN C[C@H](c1cccnc1)N(C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000559637393 566563405 /nfs/dbraw/zinc/56/34/05/566563405.db2.gz PCENNYUBGFCVTL-LLVKDONJSA-N 0 0 380.267 3.097 20 30 GGEDRN C[C@@H](c1cccnc1)N(C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000559637401 566563713 /nfs/dbraw/zinc/56/37/13/566563713.db2.gz PCENNYUBGFCVTL-NSHDSACASA-N 0 0 380.267 3.097 20 30 GGEDRN COc1cccc(CNC(=O)COc2c(Br)cccc2CC#N)c1 ZINC000559646127 566565500 /nfs/dbraw/zinc/56/55/00/566565500.db2.gz XAZBFRQVXRLVRK-UHFFFAOYSA-N 0 0 389.249 3.219 20 30 GGEDRN N#Cc1ccc(OCC(=O)NCc2cc3cc(Br)ccc3[nH]2)cc1 ZINC000466324173 566565701 /nfs/dbraw/zinc/56/57/01/566565701.db2.gz DRUHUFRAIXKSKT-UHFFFAOYSA-N 0 0 384.233 3.497 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2c(F)cc(Cl)cc2F)c1 ZINC000539191937 566566276 /nfs/dbraw/zinc/56/62/76/566566276.db2.gz IOFKCMLFTXOHOK-UHFFFAOYSA-N 0 0 386.807 3.335 20 30 GGEDRN CS(=O)(=O)N(Cc1ccc(C#N)cc1F)c1ccccc1Br ZINC000604434719 566566366 /nfs/dbraw/zinc/56/63/66/566566366.db2.gz KMLLSZHSEXYBHP-UHFFFAOYSA-N 0 0 383.242 3.426 20 30 GGEDRN C=CCCn1cc(C(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)nn1 ZINC000424753050 566566496 /nfs/dbraw/zinc/56/64/96/566566496.db2.gz LIPKBZCWHANQJI-WBMJQRKESA-N 0 0 393.285 3.123 20 30 GGEDRN C=CCCn1cc(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)nn1 ZINC000424753044 566566518 /nfs/dbraw/zinc/56/65/18/566566518.db2.gz LIPKBZCWHANQJI-BLLLJJGKSA-N 0 0 393.285 3.123 20 30 GGEDRN C=CCCn1cc(C(=O)NCCc2cc(Cl)ccc2Br)nn1 ZINC000424744212 566566634 /nfs/dbraw/zinc/56/66/34/566566634.db2.gz XPPNWXFLQHMYHN-UHFFFAOYSA-N 0 0 383.677 3.243 20 30 GGEDRN C=CCCn1cc(C(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)nn1 ZINC000424753048 566566937 /nfs/dbraw/zinc/56/69/37/566566937.db2.gz LIPKBZCWHANQJI-MLGOLLRUSA-N 0 0 393.285 3.123 20 30 GGEDRN C[C@@H]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(Br)c(C#N)c3)C2)C1 ZINC000559729848 566567013 /nfs/dbraw/zinc/56/70/13/566567013.db2.gz GCJHDQROZFYZHV-KZULUSFZSA-N 0 0 390.281 3.298 20 30 GGEDRN COc1ccc(Br)c([C@@H](CO)N(C)Cc2cccc(C#N)c2)c1 ZINC000449472810 566567079 /nfs/dbraw/zinc/56/70/79/566567079.db2.gz QUNSOUKKNZPHAO-GOSISDBHSA-N 0 0 375.266 3.495 20 30 GGEDRN C=CCSCCNC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C ZINC000604486655 566567371 /nfs/dbraw/zinc/56/73/71/566567371.db2.gz XOIRQSGWZAWVBN-HNNXBMFYSA-N 0 0 399.354 3.239 20 30 GGEDRN CCN(CCC#N)C(=O)CN(Cc1cc(Br)ccc1F)C1CC1 ZINC000604492692 566567647 /nfs/dbraw/zinc/56/76/47/566567647.db2.gz QFEZJHVVJCBMOM-UHFFFAOYSA-N 0 0 382.277 3.315 20 30 GGEDRN CC(C)(C#N)CNC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000512903477 566567674 /nfs/dbraw/zinc/56/76/74/566567674.db2.gz ZSFWEWZEJJXFJT-UHFFFAOYSA-N 0 0 383.279 3.011 20 30 GGEDRN C=CCCn1cc(C(=O)N2CCc3c(Br)cccc3[C@H]2C)nn1 ZINC000424767769 566567615 /nfs/dbraw/zinc/56/76/15/566567615.db2.gz RLZYYKLPJQACMD-GFCCVEGCSA-N 0 0 375.270 3.376 20 30 GGEDRN CS[C@@H]1CCCCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000559704950 566567797 /nfs/dbraw/zinc/56/77/97/566567797.db2.gz SADFAFABBHCABA-CYBMUJFWSA-N 0 0 396.310 3.003 20 30 GGEDRN CN(C(=O)Cc1cc[nH]c(=O)c1Br)c1cc(Cl)ccc1C#N ZINC000486203768 566567742 /nfs/dbraw/zinc/56/77/42/566567742.db2.gz LFYMPHYVELWBEJ-UHFFFAOYSA-N 0 0 380.629 3.280 20 30 GGEDRN N#C[C@@H]1CSCCN1S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000539220739 566567921 /nfs/dbraw/zinc/56/79/21/566567921.db2.gz FBMQRASCOHXGGZ-GFCCVEGCSA-N 0 0 385.923 3.093 20 30 GGEDRN C=CCCn1cc(C(=O)Nc2nc3cc(Br)ccc3n2CC)nn1 ZINC000424769346 566568253 /nfs/dbraw/zinc/56/82/53/566568253.db2.gz TUBPSJJIHFPNBO-UHFFFAOYSA-N 0 0 389.257 3.239 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H]1c1ccc(Br)cn1 ZINC000559777783 566568623 /nfs/dbraw/zinc/56/86/23/566568623.db2.gz UOYPGAKCUXTYSS-NVXWUHKLSA-N 0 0 379.302 3.035 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H]1c1ccc(Br)cn1 ZINC000559777777 566568816 /nfs/dbraw/zinc/56/88/16/566568816.db2.gz UOYPGAKCUXTYSS-DOTOQJQBSA-N 0 0 379.302 3.035 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000539222322 566569140 /nfs/dbraw/zinc/56/91/40/566569140.db2.gz OQSSKJCNNUOMTE-RDJZCZTQSA-N 0 0 380.828 3.159 20 30 GGEDRN CC(C)(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000559745771 566569401 /nfs/dbraw/zinc/56/94/01/566569401.db2.gz XXKMABMZYJTEJC-LBPRGKRZSA-N 0 0 378.270 3.154 20 30 GGEDRN C[C@H](Cc1cccs1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000604523906 566569362 /nfs/dbraw/zinc/56/93/62/566569362.db2.gz FFFZNLYVIPYHNP-CQSZACIVSA-N 0 0 376.503 3.187 20 30 GGEDRN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC(C)(C)C1 ZINC000559745985 566569500 /nfs/dbraw/zinc/56/95/00/566569500.db2.gz CZZAYIVUGKRPGF-NSHDSACASA-N 0 0 378.270 3.154 20 30 GGEDRN COc1cc(F)ccc1NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000559780702 566569579 /nfs/dbraw/zinc/56/95/79/566569579.db2.gz ICZGWDWPQSZQBA-UHFFFAOYSA-N 0 0 392.184 3.046 20 30 GGEDRN C=CCCCCCN(C)S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000539235212 566569553 /nfs/dbraw/zinc/56/95/53/566569553.db2.gz OAFDMFSOYIKQPQ-UHFFFAOYSA-N 0 0 393.958 3.252 20 30 GGEDRN Cn1ccc2ccc(NC(=O)C(=O)Nc3ccc(Br)c(C#N)c3)cc21 ZINC000559828720 566570465 /nfs/dbraw/zinc/57/04/65/566570465.db2.gz IIJMNKIDYHWECY-UHFFFAOYSA-N 0 0 397.232 3.390 20 30 GGEDRN COc1ccc(COCC(=O)N[C@H](C#N)c2cccc(Br)c2)cc1 ZINC000604545143 566570647 /nfs/dbraw/zinc/57/06/47/566570647.db2.gz IKQHIQCXMBKDDC-QGZVFWFLSA-N 0 0 389.249 3.355 20 30 GGEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000604561381 566571022 /nfs/dbraw/zinc/57/10/22/566571022.db2.gz VLZPNDSRKKMYRR-QGZVFWFLSA-N 0 0 390.325 3.173 20 30 GGEDRN CC1(C)CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000559830356 566571376 /nfs/dbraw/zinc/57/13/76/566571376.db2.gz RJLSFEZQCCXRLO-ZDUSSCGKSA-N 0 0 378.270 3.344 20 30 GGEDRN C[C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)[C@@H]1C ZINC000559871591 566572034 /nfs/dbraw/zinc/57/20/34/566572034.db2.gz PQRGYVKEGMWQOT-JHJVBQTASA-N 0 0 392.297 3.448 20 30 GGEDRN C[C@H](CC#N)NC(=O)c1ccc(I)c(Br)c1 ZINC000604573845 566572637 /nfs/dbraw/zinc/57/26/37/566572637.db2.gz ACTUTBPUMXZPHN-SSDOTTSWSA-N 0 0 393.022 3.086 20 30 GGEDRN C[C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)[C@H]1C ZINC000559871590 566573231 /nfs/dbraw/zinc/57/32/31/566573231.db2.gz PQRGYVKEGMWQOT-FRRDWIJNSA-N 0 0 392.297 3.448 20 30 GGEDRN C=CCC1(C(=O)N(CCO)Cc2cccc(Br)c2)CCOCC1 ZINC000424808862 566573783 /nfs/dbraw/zinc/57/37/83/566573783.db2.gz VEXMHQOCGXNWHW-UHFFFAOYSA-N 0 0 382.298 3.143 20 30 GGEDRN C=CCn1c(SCc2nn(C)cc2Br)nc2ccccc2c1=O ZINC000579014385 566573848 /nfs/dbraw/zinc/57/38/48/566573848.db2.gz ATOKUTJYQMVLPT-UHFFFAOYSA-N 0 0 391.294 3.371 20 30 GGEDRN C=CCOCC(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000604710064 566573925 /nfs/dbraw/zinc/57/39/25/566573925.db2.gz OEKRWIJIQFUOCS-UHFFFAOYSA-N 0 0 381.219 3.177 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1sccc1C#N)c1ccc(Br)cc1F ZINC000559907980 566574031 /nfs/dbraw/zinc/57/40/31/566574031.db2.gz IYCLXWGENHRHIB-QMMMGPOBSA-N 0 0 396.241 3.337 20 30 GGEDRN C=CC[C@H](CO)CNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000539322425 566574467 /nfs/dbraw/zinc/57/44/67/566574467.db2.gz ROYIZFVNAOZMAR-ZDUSSCGKSA-N 0 0 380.897 3.219 20 30 GGEDRN CSCC[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000579057172 566574971 /nfs/dbraw/zinc/57/49/71/566574971.db2.gz XPVNILUJWVIOMM-SFHVURJKSA-N 0 0 380.535 3.168 20 30 GGEDRN N#Cc1cnc(NCCCNS(=O)(=O)c2ccccc2Cl)c(Cl)c1 ZINC000513064674 566577492 /nfs/dbraw/zinc/57/74/92/566577492.db2.gz NPRTXQNMHPWDOJ-UHFFFAOYSA-N 0 0 385.276 3.041 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CCOc2ccc(Br)cc21 ZINC000466471587 566578612 /nfs/dbraw/zinc/57/86/12/566578612.db2.gz UDWNIQBQUJRCHX-UHFFFAOYSA-N 0 0 393.262 3.217 20 30 GGEDRN C=CCCC[C@@H](C)NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000539385958 566578834 /nfs/dbraw/zinc/57/88/34/566578834.db2.gz UNYZZDOZDHQTJF-LLVKDONJSA-N 0 0 390.299 3.243 20 30 GGEDRN C=CCCn1cc(C(=O)NCCc2ccc(Br)cc2Cl)nn1 ZINC000424856014 566579323 /nfs/dbraw/zinc/57/93/23/566579323.db2.gz UXAGHMZXVWXYQA-UHFFFAOYSA-N 0 0 383.677 3.243 20 30 GGEDRN C=CCCn1cc(C(=O)NC2(Cc3ccccc3Br)CC2)nn1 ZINC000424852916 566579519 /nfs/dbraw/zinc/57/95/19/566579519.db2.gz UTSSNNITBSZROS-UHFFFAOYSA-N 0 0 375.270 3.122 20 30 GGEDRN N#Cc1ccc(-n2ccc(NC(=O)c3cscc3Br)n2)c(F)c1 ZINC000579100946 566579739 /nfs/dbraw/zinc/57/97/39/566579739.db2.gz JOMRCMKDWNYXOK-UHFFFAOYSA-N 0 0 391.225 3.381 20 30 GGEDRN C=CCn1c(SCc2ccc(S(C)(=O)=O)cc2)nc2sccc2c1=O ZINC000559961278 566580097 /nfs/dbraw/zinc/58/00/97/566580097.db2.gz SMFGZGBOVKXZFI-UHFFFAOYSA-N 0 0 392.527 3.340 20 30 GGEDRN C=CCOc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)OC)c1 ZINC000559960316 566580334 /nfs/dbraw/zinc/58/03/34/566580334.db2.gz CVCKJCZTQZNJLM-UHFFFAOYSA-N 0 0 381.837 3.492 20 30 GGEDRN C=CCn1c(SC[C@H]2CCCS(=O)(=O)C2)nnc1-c1ccccc1F ZINC000559962293 566580670 /nfs/dbraw/zinc/58/06/70/566580670.db2.gz IYGSMRJYXOFTFK-CYBMUJFWSA-N 0 0 381.498 3.187 20 30 GGEDRN C=CCCn1cc(C(=O)N[C@H]2CCc3c2ccc(F)c3Br)nn1 ZINC000424863346 566580999 /nfs/dbraw/zinc/58/09/99/566580999.db2.gz AMNIEASSFAPNRY-ZDUSSCGKSA-N 0 0 379.233 3.173 20 30 GGEDRN CC(C)(CCC#N)CNC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000513118857 566581150 /nfs/dbraw/zinc/58/11/50/566581150.db2.gz QGSCMEJECHJYIY-HNNXBMFYSA-N 0 0 396.329 3.229 20 30 GGEDRN CC(C)(CCC#N)CNC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000513122268 566581475 /nfs/dbraw/zinc/58/14/75/566581475.db2.gz DDCLKEMOILIAQZ-UHFFFAOYSA-N 0 0 388.331 3.344 20 30 GGEDRN C=CC[C@H](CC)NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000466529022 566583355 /nfs/dbraw/zinc/58/33/55/566583355.db2.gz JFTYDDULFAFQQO-ZDUSSCGKSA-N 0 0 388.327 3.472 20 30 GGEDRN CC(C)(CCC#N)CNC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000513134672 566583543 /nfs/dbraw/zinc/58/35/43/566583543.db2.gz BAJKYBPYAFXJTO-UHFFFAOYSA-N 0 0 382.302 3.283 20 30 GGEDRN C=CCC(C)(C)CNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000579139198 566584005 /nfs/dbraw/zinc/58/40/05/566584005.db2.gz YZSAHQJBCNCTOY-UHFFFAOYSA-N 0 0 375.213 3.384 20 30 GGEDRN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000579144664 566584026 /nfs/dbraw/zinc/58/40/26/566584026.db2.gz MCTGGTNEKOGMRT-IUODEOHRSA-N 0 0 375.416 3.097 20 30 GGEDRN COc1ccc2c(c1)[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)CCO2 ZINC000466545388 566584361 /nfs/dbraw/zinc/58/43/61/566584361.db2.gz ZXNRQGJPTTWWFX-HNNXBMFYSA-N 0 0 378.837 3.022 20 30 GGEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000466549788 566584375 /nfs/dbraw/zinc/58/43/75/566584375.db2.gz FYDWGFZOKXRFLR-UHFFFAOYSA-N 0 0 396.299 3.376 20 30 GGEDRN N#Cc1cccc(C(=O)NCC(=O)C2CCC(F)(F)CC2)c1Br ZINC000424893897 566584875 /nfs/dbraw/zinc/58/48/75/566584875.db2.gz GUQVOFPWGUNCCJ-UHFFFAOYSA-N 0 0 385.208 3.445 20 30 GGEDRN CS(=O)(=O)N[C@H]1CCCC[C@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000579144666 566585086 /nfs/dbraw/zinc/58/50/86/566585086.db2.gz MCTGGTNEKOGMRT-WFASDCNBSA-N 0 0 375.416 3.097 20 30 GGEDRN CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000579144665 566585144 /nfs/dbraw/zinc/58/51/44/566585144.db2.gz MCTGGTNEKOGMRT-SWLSCSKDSA-N 0 0 375.416 3.097 20 30 GGEDRN C=CCOc1c(Br)cc(CN(CC(F)F)C[C@@H](C)O)cc1OC ZINC000449630362 566585194 /nfs/dbraw/zinc/58/51/94/566585194.db2.gz MZESABWAXMDGAD-LLVKDONJSA-N 0 0 394.256 3.470 20 30 GGEDRN C=CCn1cc(CNC(=O)CCSc2ccccc2Br)nn1 ZINC000424905235 566586057 /nfs/dbraw/zinc/58/60/57/566586057.db2.gz BRFVMYMFBJUWBE-UHFFFAOYSA-N 0 0 381.299 3.025 20 30 GGEDRN COc1nc(C)c(Br)cc1C(=O)N[C@H](C#N)c1ccccc1F ZINC000486406779 566586077 /nfs/dbraw/zinc/58/60/77/566586077.db2.gz KVHAGXOODAVRHH-CQSZACIVSA-N 0 0 378.201 3.295 20 30 GGEDRN C=CCn1cc(CNC(=O)[C@H](CC)Cc2ccccc2Br)nn1 ZINC000424908764 566586337 /nfs/dbraw/zinc/58/63/37/566586337.db2.gz QJCUKIUIQDIBDA-CYBMUJFWSA-N 0 0 377.286 3.112 20 30 GGEDRN C[C@@H](CC#N)N(C)S(=O)(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000560016932 566586921 /nfs/dbraw/zinc/58/69/21/566586921.db2.gz SLRIDFKIMAZVGP-NSHDSACASA-N 0 0 384.914 3.032 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000424928358 566587023 /nfs/dbraw/zinc/58/70/23/566587023.db2.gz YPXZVFQTZXBYQI-WITVHBPWSA-N 0 0 376.294 3.360 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000424928355 566587560 /nfs/dbraw/zinc/58/75/60/566587560.db2.gz YPXZVFQTZXBYQI-CZANMRCUSA-N 0 0 376.294 3.360 20 30 GGEDRN C=CCn1cc(CNC(=O)C2(c3cccc(Br)c3)CCCC2)nn1 ZINC000424923307 566587645 /nfs/dbraw/zinc/58/76/45/566587645.db2.gz JBIPDXYOQOLQGP-UHFFFAOYSA-N 0 0 389.297 3.355 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000486417761 566587541 /nfs/dbraw/zinc/58/75/41/566587541.db2.gz JWIOOCJKOJEASZ-VZSAFFHGSA-N 0 0 390.281 3.464 20 30 GGEDRN C=CCn1cc(CNC(=O)C(C)(C)Cc2ccc(Br)c(C)c2)nn1 ZINC000424917280 566587796 /nfs/dbraw/zinc/58/77/96/566587796.db2.gz OEXRDZYLQWUAKO-UHFFFAOYSA-N 0 0 391.313 3.420 20 30 GGEDRN N#C[C@H](NC(=O)COc1cccc(I)c1)C1CCCCC1 ZINC000486422959 566587828 /nfs/dbraw/zinc/58/78/28/566587828.db2.gz FRSXHSGXVHALHG-HNNXBMFYSA-N 0 0 398.244 3.259 20 30 GGEDRN C=CCn1cc(CNC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)nn1 ZINC000424921032 566587845 /nfs/dbraw/zinc/58/78/45/566587845.db2.gz ZMVNCXACZBAYRG-LLVKDONJSA-N 0 0 381.249 3.176 20 30 GGEDRN N#Cc1ccc(OC[C@H](O)Cc2ccccc2)c(I)c1 ZINC000513212253 566588189 /nfs/dbraw/zinc/58/81/89/566588189.db2.gz IYCXDVQTKHLDSU-CQSZACIVSA-N 0 0 379.197 3.145 20 30 GGEDRN O=C(COc1ccc(Br)cc1F)NCC#Cc1cccc(F)c1 ZINC000513202302 566588282 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Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000609591755 566773883 /nfs/dbraw/zinc/77/38/83/566773883.db2.gz WYQUVJWFUFIVLD-BMIGLBTASA-N 0 0 375.270 3.284 20 30 GGEDRN N#C[C@H](NC(=O)c1cn(-c2ccccc2)nn1)c1ccccc1Br ZINC000609591968 566773958 /nfs/dbraw/zinc/77/39/58/566773958.db2.gz UCTUAVXDKVECLW-HNNXBMFYSA-N 0 0 382.221 3.024 20 30 GGEDRN N#C[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1Br ZINC000609591733 566773988 /nfs/dbraw/zinc/77/39/88/566773988.db2.gz QVBODMMZVYEERX-INIZCTEOSA-N 0 0 384.233 3.328 20 30 GGEDRN Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000609591760 566774049 /nfs/dbraw/zinc/77/40/49/566774049.db2.gz WYQUVJWFUFIVLD-BONVTDFDSA-N 0 0 375.270 3.284 20 30 GGEDRN N#C[C@@H](NC(=O)COCCOc1ccccc1)c1ccccc1Br ZINC000609592006 566774146 /nfs/dbraw/zinc/77/41/46/566774146.db2.gz AFZWQNQTRKHFEE-QGZVFWFLSA-N 0 0 389.249 3.226 20 30 GGEDRN N#C[C@H](NC(=O)CCNC(=O)c1ccsc1)c1ccccc1Br ZINC000609592774 566774183 /nfs/dbraw/zinc/77/41/83/566774183.db2.gz 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N#CCc1ccc(S(=O)(=O)N[C@H](CCCO)c2ccccc2)c(Cl)c1 ZINC000451242202 566781953 /nfs/dbraw/zinc/78/19/53/566781953.db2.gz LVKMTKURTLKCOB-QGZVFWFLSA-N 0 0 378.881 3.198 20 30 GGEDRN C=CC1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC1 ZINC000427594930 566782902 /nfs/dbraw/zinc/78/29/02/566782902.db2.gz BGFGYSHPHDPBLB-KRWDZBQOSA-N 0 0 391.309 3.365 20 30 GGEDRN Cc1ncsc1CCS(=O)(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000451257796 566783228 /nfs/dbraw/zinc/78/32/28/566783228.db2.gz DGIIFJMBWABZBR-SJORKVTESA-N 0 0 375.519 3.096 20 30 GGEDRN CC(C)C[C@@H](C#N)NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000609731443 566783514 /nfs/dbraw/zinc/78/35/14/566783514.db2.gz QKYWZEYTZKEOBI-RCDICMHDSA-N 0 0 385.327 3.391 20 30 GGEDRN Cc1ncsc1CCS(=O)(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000451257792 566783678 /nfs/dbraw/zinc/78/36/78/566783678.db2.gz DGIIFJMBWABZBR-IAGOWNOFSA-N 0 0 375.519 3.096 20 30 GGEDRN CC(C)C[C@H](C#N)NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000609731441 566783852 /nfs/dbraw/zinc/78/38/52/566783852.db2.gz QKYWZEYTZKEOBI-JLCFBVMHSA-N 0 0 385.327 3.391 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)COc2ccc(I)cc2)C1 ZINC000609741277 566783990 /nfs/dbraw/zinc/78/39/90/566783990.db2.gz GTZXQOBVZRKIEF-WBMJQRKESA-N 0 0 398.244 3.259 20 30 GGEDRN COc1ccc(NC(=O)C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1 ZINC000609732679 566783997 /nfs/dbraw/zinc/78/39/97/566783997.db2.gz ICKIZRJFYXVSGY-CQSZACIVSA-N 0 0 378.215 3.322 20 30 GGEDRN Cc1ncsc1CCS(=O)(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000451257794 566784081 /nfs/dbraw/zinc/78/40/81/566784081.db2.gz DGIIFJMBWABZBR-IRXDYDNUSA-N 0 0 375.519 3.096 20 30 GGEDRN COc1sc(CN2CCN(c3cnccc3C#N)CC2)cc1Br ZINC000562376460 566784351 /nfs/dbraw/zinc/78/43/51/566784351.db2.gz KRQZYAGKAYAFOZ-UHFFFAOYSA-N 0 0 393.310 3.108 20 30 GGEDRN N#CCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2n2cccn2)c(Cl)c1 ZINC000451268364 566785244 /nfs/dbraw/zinc/78/52/44/566785244.db2.gz DETMFHVKFPQERR-HZPDHXFCSA-N 0 0 378.885 3.065 20 30 GGEDRN C[C@H](COCC(F)(F)F)NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000516847260 566786116 /nfs/dbraw/zinc/78/61/16/566786116.db2.gz KXDUJPWJLGCOOI-SSDOTTSWSA-N 0 0 383.285 3.090 20 30 GGEDRN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(I)cc1C ZINC000427660635 566786365 /nfs/dbraw/zinc/78/63/65/566786365.db2.gz UXMJLUFHRZLLFG-ZDUSSCGKSA-N 0 0 398.244 3.105 20 30 GGEDRN C[C@H](NC(=O)NCC1(C#N)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000562391583 566786267 /nfs/dbraw/zinc/78/62/67/566786267.db2.gz JRUCFPOFNPJYHY-JTQLQIEISA-N 0 0 390.241 3.163 20 30 GGEDRN CC[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1Cl)c1c(C)nn(C)c1C ZINC000451276880 566786538 /nfs/dbraw/zinc/78/65/38/566786538.db2.gz ZVAAXFYWYYFQDA-OAHLLOKOSA-N 0 0 380.901 3.186 20 30 GGEDRN N#CCCCNS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000542240175 566786690 /nfs/dbraw/zinc/78/66/90/566786690.db2.gz LSDPPFWDXZSUNO-UHFFFAOYSA-N 0 0 386.296 3.155 20 30 GGEDRN N#Cc1c(NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)nc2n1CCS2 ZINC000609814566 566787865 /nfs/dbraw/zinc/78/78/65/566787865.db2.gz IXEMVAYSGZOTOV-NEPJUHHUSA-N 0 0 389.278 3.365 20 30 GGEDRN C[C@@H](CNS(=O)(=O)CC(C)(C)CC#N)Oc1ccccc1Br ZINC000451282395 566788393 /nfs/dbraw/zinc/78/83/93/566788393.db2.gz DRVUEBZEVXWALY-LBPRGKRZSA-N 0 0 389.315 3.076 20 30 GGEDRN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(Br)c(C)cc1OC ZINC000427683181 566788398 /nfs/dbraw/zinc/78/83/98/566788398.db2.gz RSYGSVGEDIUDBI-GFCCVEGCSA-N 0 0 381.270 3.272 20 30 GGEDRN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(Br)ccc1OCC ZINC000427679066 566788850 /nfs/dbraw/zinc/78/88/50/566788850.db2.gz PFQGYRGAZJGTFA-CYBMUJFWSA-N 0 0 381.270 3.353 20 30 GGEDRN N#CCCCNC(=O)NCCSCCOc1cccc(Br)c1 ZINC000542251348 566788917 /nfs/dbraw/zinc/78/89/17/566788917.db2.gz ZYDMKUDFNKSVKE-UHFFFAOYSA-N 0 0 386.315 3.164 20 30 GGEDRN CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)C12CCCC2 ZINC000451290121 566789577 /nfs/dbraw/zinc/78/95/77/566789577.db2.gz YTMXDWWZIZCQFB-DLBZAZTESA-N 0 0 382.913 3.422 20 30 GGEDRN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cccc(Br)c1COC ZINC000427716171 566789993 /nfs/dbraw/zinc/78/99/93/566789993.db2.gz VYJJBILXDJBCHW-LBPRGKRZSA-N 0 0 381.270 3.101 20 30 GGEDRN O=C(C1CCC(C(F)(F)F)CC1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000469440635 566790437 /nfs/dbraw/zinc/79/04/37/566790437.db2.gz KWRDNNWIVZQFOR-UHFFFAOYSA-N 0 0 378.332 3.400 20 30 GGEDRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489489917 566792333 /nfs/dbraw/zinc/79/23/33/566792333.db2.gz AIDNTYGYWVNQKW-DIFFPNOSSA-N 0 0 382.844 3.405 20 30 GGEDRN Cc1cc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C#N)CC2)c(C)s1 ZINC000609892069 566792777 /nfs/dbraw/zinc/79/27/77/566792777.db2.gz HCWLCQVXYUBMFR-UHFFFAOYSA-N 0 0 395.937 3.401 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCc2ccc(OC3CCCCC3)nc2)s1 ZINC000562461891 566792691 /nfs/dbraw/zinc/79/26/91/566792691.db2.gz PRFVQXFUIDUREN-UHFFFAOYSA-N 0 0 377.491 3.205 20 30 GGEDRN COC(=O)c1cc(C)c(NS(=O)(=O)c2ccc(C#N)c(F)c2)c(Cl)c1 ZINC000427745874 566793075 /nfs/dbraw/zinc/79/30/75/566793075.db2.gz OTOIHAIUXDGTDY-UHFFFAOYSA-N 0 0 382.800 3.247 20 30 GGEDRN C[C@H]1CCC[C@@](C#N)(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000427757378 566794736 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CCc1nn(Cc2cc(Br)cc(F)c2F)c(=O)c(C#N)c1CC ZINC000581670620 566797572 /nfs/dbraw/zinc/79/75/72/566797572.db2.gz MOCVNGCFTQFTAX-UHFFFAOYSA-N 0 0 382.208 3.329 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Nc2cncc(Cl)c2Br)cc1F ZINC000427785583 566798153 /nfs/dbraw/zinc/79/81/53/566798153.db2.gz DPAAFBSCSYOPET-UHFFFAOYSA-N 0 0 390.621 3.309 20 30 GGEDRN C=CCCCCCNC(=O)C(=O)Nc1cccc(I)c1 ZINC000581675067 566798164 /nfs/dbraw/zinc/79/81/64/566798164.db2.gz HDJUQWZRZGTEBE-UHFFFAOYSA-N 0 0 386.233 3.092 20 30 GGEDRN Cc1sc(NC(=O)CN(C)[C@H](CO)c2ccc(Cl)cc2)c(C#N)c1C ZINC000451337575 566798925 /nfs/dbraw/zinc/79/89/25/566798925.db2.gz XWJRSDMLVSERAV-MRXNPFEDSA-N 0 0 377.897 3.494 20 30 GGEDRN C[C@H](CC(=O)c1cccs1)NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451335167 566798949 /nfs/dbraw/zinc/79/89/49/566798949.db2.gz DAZUDGUPEGLEAD-LLVKDONJSA-N 0 0 382.894 3.407 20 30 GGEDRN CC(C)Cc1ncc(NC(=O)COc2cccc(Br)c2C#N)cn1 ZINC000451338797 566799037 /nfs/dbraw/zinc/79/90/37/566799037.db2.gz HWWBHSHHFIXUNM-UHFFFAOYSA-N 0 0 389.253 3.327 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)cc1F ZINC000489614412 566799178 /nfs/dbraw/zinc/79/91/78/566799178.db2.gz BPLNYWBZUDLPEK-KRWDZBQOSA-N 0 0 380.828 3.113 20 30 GGEDRN N#CCc1ccc(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(Cl)c1 ZINC000451336207 566799206 /nfs/dbraw/zinc/79/92/06/566799206.db2.gz FCAFXVYFCYGTBJ-XKQJLSEDSA-N 0 0 380.897 3.032 20 30 GGEDRN CN(C)c1cccc(CN(C)S(=O)(=O)c2ccc(CC#N)cc2Cl)c1 ZINC000451332901 566799425 /nfs/dbraw/zinc/79/94/25/566799425.db2.gz XGBUGGMQRLJFHU-UHFFFAOYSA-N 0 0 377.897 3.293 20 30 GGEDRN C=CCOc1ccc(C(=O)N[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000678400306 566799707 /nfs/dbraw/zinc/79/97/07/566799707.db2.gz XPXCEUDLHBLMPX-KRWDZBQOSA-N 0 0 376.250 3.477 20 30 GGEDRN C[C@H](Cc1cc(Br)ccc1F)NS(=O)(=O)CC(C)(C)CC#N ZINC000451350094 566800179 /nfs/dbraw/zinc/80/01/79/566800179.db2.gz ZUCDODSZUWCWMG-LLVKDONJSA-N 0 0 391.306 3.378 20 30 GGEDRN CC1(C)[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)[C@@H]2CCCO[C@H]21 ZINC000517010712 566800239 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CC1(C)C[C@@]1(C#N)NC(=O)CCC(=O)c1ccc(I)cc1 ZINC000427883858 566803615 /nfs/dbraw/zinc/80/36/15/566803615.db2.gz DQJNWKUXSDJUKV-INIZCTEOSA-N 0 0 396.228 3.063 20 30 GGEDRN CO[C@@]1(C)CCCN(C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000451362409 566803924 /nfs/dbraw/zinc/80/39/24/566803924.db2.gz QMBKNEWFTFVYKA-KRWDZBQOSA-N 0 0 381.270 3.117 20 30 GGEDRN CC(C)c1ncc(NC(=O)COc2ccc(C#N)c(Br)c2)cn1 ZINC000451364112 566804055 /nfs/dbraw/zinc/80/40/55/566804055.db2.gz CGXRGWBDNCTLLI-UHFFFAOYSA-N 0 0 375.226 3.252 20 30 GGEDRN C[C@@H](CC#N)N(C)C(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000469644140 566804643 /nfs/dbraw/zinc/80/46/43/566804643.db2.gz NHAAIHFZYAXAML-QMMMGPOBSA-N 0 0 382.645 3.318 20 30 GGEDRN N#CC1(CNC(=O)NCC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000581762879 566804987 /nfs/dbraw/zinc/80/49/87/566804987.db2.gz YGXKGMFBKWHMSV-UHFFFAOYSA-N 0 0 392.297 3.100 20 30 GGEDRN N#CC1(CNC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)CC1 ZINC000581763317 566805052 /nfs/dbraw/zinc/80/50/52/566805052.db2.gz NZZOJIWYUVCEND-UHFFFAOYSA-N 0 0 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GGEDRN N#Cc1ccc(NC(=O)NCc2nnc(C3CC3)s2)cc1Br ZINC000563556514 566895629 /nfs/dbraw/zinc/89/56/29/566895629.db2.gz XCQXZKVQWIDFAZ-UHFFFAOYSA-N 0 0 378.255 3.371 20 30 GGEDRN Cc1cccc(OC[C@@H](O)CNC(=O)c2c(Cl)cc(C#N)cc2Cl)c1 ZINC000611165779 566896185 /nfs/dbraw/zinc/89/61/85/566896185.db2.gz OPWRRSQSBXVFPJ-ZDUSSCGKSA-N 0 0 379.243 3.343 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1ccccc1Br ZINC000611181434 566896216 /nfs/dbraw/zinc/89/62/16/566896216.db2.gz UUFQAEUFGGKRIW-MRXNPFEDSA-N 0 0 382.221 3.024 20 30 GGEDRN C[C@@H](NC(=O)C(=O)N1CCc2ccc(Br)cc21)c1ccc(C#N)cc1 ZINC000491204841 566897309 /nfs/dbraw/zinc/89/73/09/566897309.db2.gz FMXMYPSPQKUDAF-GFCCVEGCSA-N 0 0 398.260 3.087 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CC[C@H](c3cccc(Br)c3)C2)o1 ZINC000451866070 566897407 /nfs/dbraw/zinc/89/74/07/566897407.db2.gz LXDMCBSBBQWVPT-LBPRGKRZSA-N 0 0 381.251 3.092 20 30 GGEDRN O=C1N[C@H](CC(F)(F)F)C(=O)N1Cc1cc(F)c(C(F)(F)F)cc1F ZINC000491204882 566897686 /nfs/dbraw/zinc/89/76/86/566897686.db2.gz 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Cc1cc(C)c(Br)c(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1 ZINC000613130319 567015604 /nfs/dbraw/zinc/01/56/04/567015604.db2.gz AVAMQVASIFIJFR-MRXNPFEDSA-N 0 0 378.314 3.372 20 30 GGEDRN N#Cc1ccc(CCc2nc(Cc3cc(Br)c[nH]c3=O)no2)cc1 ZINC000545048216 567016022 /nfs/dbraw/zinc/01/60/22/567016022.db2.gz CPKVFCJHHCOLJN-UHFFFAOYSA-N 0 0 385.221 3.180 20 30 GGEDRN COC(=O)C[C@@H](NC(=O)NCC1(CC#N)CC1)c1cccc(Br)c1 ZINC000430431993 567016081 /nfs/dbraw/zinc/01/60/81/567016081.db2.gz PKVPLJSGBYCHED-CQSZACIVSA-N 0 0 394.269 3.046 20 30 GGEDRN C=CC(C)(C)CNC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000452775279 567016526 /nfs/dbraw/zinc/01/65/26/567016526.db2.gz HCYXFPIOLKXKQX-UHFFFAOYSA-N 0 0 378.519 3.169 20 30 GGEDRN C=CC(C)(C)CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000452774157 567016726 /nfs/dbraw/zinc/01/67/26/567016726.db2.gz CXNVGEQTFPSTFK-OAHLLOKOSA-N 0 0 379.298 3.382 20 30 GGEDRN C=CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000452780868 567017037 /nfs/dbraw/zinc/01/70/37/567017037.db2.gz 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C=C(C)Cn1c(SCC(=O)N[C@H]2CSC[C@@H]2C)nnc1-c1ccco1 ZINC000520857338 567028924 /nfs/dbraw/zinc/02/89/24/567028924.db2.gz SFGNRPQUUHZSBN-STQMWFEESA-N 0 0 378.523 3.074 20 30 GGEDRN Cn1cc(Br)c(NC(=O)CCCCOc2cccc(C#N)c2)n1 ZINC000565005988 567030061 /nfs/dbraw/zinc/03/00/61/567030061.db2.gz QDKROTBDTOSTAW-UHFFFAOYSA-N 0 0 377.242 3.242 20 30 GGEDRN Cc1sc(NC(=O)CCOc2ccc(S(C)(=O)=O)cc2)c(C#N)c1C ZINC000520919059 567030551 /nfs/dbraw/zinc/03/05/51/567030551.db2.gz UBBRLHHENVKFEE-UHFFFAOYSA-N 0 0 378.475 3.048 20 30 GGEDRN CC#CCCNC(=O)[C@H](NCC(F)(F)F)c1cc(Br)cs1 ZINC000613319349 567031172 /nfs/dbraw/zinc/03/11/72/567031172.db2.gz AZWHGKWHHCCFMT-LLVKDONJSA-N 0 0 383.233 3.233 20 30 GGEDRN N#Cc1cc(C(=O)Nc2cc(Br)ccc2-n2cncn2)ccc1F ZINC000430712336 567031522 /nfs/dbraw/zinc/03/15/22/567031522.db2.gz YVYOPZCRCMTHER-UHFFFAOYSA-N 0 0 386.184 3.293 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(Br)sc1Br ZINC000452925760 567032901 /nfs/dbraw/zinc/03/29/01/567032901.db2.gz PPPHBJAQUQCBJO-SFYZADRCSA-N 0 0 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N#Cc1cc(Cl)c(C(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)c(Cl)c1 ZINC000613525414 567044974 /nfs/dbraw/zinc/04/49/74/567044974.db2.gz DVHYRNXEIGMAIW-AWEZNQCLSA-N 0 0 378.190 3.149 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H]1CC ZINC000521159601 567045704 /nfs/dbraw/zinc/04/57/04/567045704.db2.gz BEKAGAOESITFJE-CYBMUJFWSA-N 0 0 381.270 3.499 20 30 GGEDRN C=CCCCCNS(=O)(=O)c1cc(Br)ccc1OCCOC ZINC000472700484 567045801 /nfs/dbraw/zinc/04/58/01/567045801.db2.gz QQTNPYXFJPMOPQ-UHFFFAOYSA-N 0 0 392.315 3.109 20 30 GGEDRN C=CCCCCNS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000472709626 567047582 /nfs/dbraw/zinc/04/75/82/567047582.db2.gz QTRGEYFLCJGVCI-QGZVFWFLSA-N 0 0 384.929 3.220 20 30 GGEDRN C=CCSCCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000495133241 567047596 /nfs/dbraw/zinc/04/75/96/567047596.db2.gz REIKEWNHCMLZNE-AWEZNQCLSA-N 0 0 384.343 3.246 20 30 GGEDRN C=CCCCCNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000472715495 567047706 /nfs/dbraw/zinc/04/77/06/567047706.db2.gz SBLQZSFMGZPZBX-UHFFFAOYSA-N 0 0 379.309 3.134 20 30 GGEDRN Cn1cc([C@@H]2CN(C(=O)c3cccc(C#N)c3Br)CC2(C)C)cn1 ZINC000565199273 567048109 /nfs/dbraw/zinc/04/81/09/567048109.db2.gz JQXGOKAGUMCCBB-HNNXBMFYSA-N 0 0 387.281 3.320 20 30 GGEDRN C=C[C@@H]1CCCCN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000495134984 567048028 /nfs/dbraw/zinc/04/80/28/567048028.db2.gz DOXYQVSYUCUIMX-CYBMUJFWSA-N 0 0 381.270 3.470 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)c1Br ZINC000613590433 567048615 /nfs/dbraw/zinc/04/86/15/567048615.db2.gz NIGOGZGZOVWMMV-GFCCVEGCSA-N 0 0 386.249 3.445 20 30 GGEDRN C=CCCn1cc(CNCCC(=O)Nc2ccc(Br)cc2C)nn1 ZINC000657341864 567048901 /nfs/dbraw/zinc/04/89/01/567048901.db2.gz ABDQPVAIIWVTAB-UHFFFAOYSA-N 0 0 392.301 3.044 20 30 GGEDRN CN1CCN(c2ncc(Br)cc2NCc2ccc(C#N)cc2)CC1 ZINC000453049767 567049084 /nfs/dbraw/zinc/04/90/84/567049084.db2.gz CLEZGINBOHAFLH-UHFFFAOYSA-N 0 0 386.297 3.080 20 30 GGEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000472756720 567049935 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O=C(c1cnn(CC(F)(F)F)c1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000682506566 567053526 /nfs/dbraw/zinc/05/35/26/567053526.db2.gz BAGOIQFTAJSGTA-OCAPTIKFSA-N 0 0 383.214 3.258 20 30 GGEDRN COCc1cc(Cl)cc(S(=O)(=O)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000584558404 567053532 /nfs/dbraw/zinc/05/35/32/567053532.db2.gz OFXSKMWZBNXPMM-UHFFFAOYSA-N 0 0 376.865 3.326 20 30 GGEDRN N#Cc1ccc(SCC(=O)Nc2ccccc2I)nc1 ZINC000495255709 567053900 /nfs/dbraw/zinc/05/39/00/567053900.db2.gz JZRIZXDFINDNGN-UHFFFAOYSA-N 0 0 395.225 3.289 20 30 GGEDRN C=CCCCCNC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000472831460 567054381 /nfs/dbraw/zinc/05/43/81/567054381.db2.gz HBNGDGBJGYYGEJ-UHFFFAOYSA-N 0 0 382.302 3.225 20 30 GGEDRN Cc1nnc(NCc2cc(Br)c3c(c2)OCCO3)c(C#N)c1C ZINC000521356933 567056281 /nfs/dbraw/zinc/05/62/81/567056281.db2.gz GLXNLSQUPSESOT-UHFFFAOYSA-N 0 0 375.226 3.111 20 30 GGEDRN C=CCCn1cc(CN[C@H](C)[C@@H](OC)c2ccc(Br)cc2)nn1 ZINC000657425999 567056483 /nfs/dbraw/zinc/05/64/83/567056483.db2.gz UNHDGHNGAPBNOF-CXAGYDPISA-N 0 0 379.302 3.483 20 30 GGEDRN N#Cc1ccc(OCC(=O)Nc2cccc(I)c2)cc1F ZINC000521331536 567056562 /nfs/dbraw/zinc/05/65/62/567056562.db2.gz ICFMHWZOOKGSEY-UHFFFAOYSA-N 0 0 396.159 3.319 20 30 GGEDRN CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC1(CC#N)CC1 ZINC000431128186 567057038 /nfs/dbraw/zinc/05/70/38/567057038.db2.gz MIQDVIXWSXHBSB-OAHLLOKOSA-N 0 0 392.297 3.014 20 30 GGEDRN C[C@H]1C[C@@]1(C#N)c1nc(Cc2cccc(F)c2I)no1 ZINC000453149851 567058332 /nfs/dbraw/zinc/05/83/32/567058332.db2.gz MWGMHJCRNKTRFD-RTHLEPHNSA-N 0 0 383.164 3.205 20 30 GGEDRN Cc1cc([C@@H](C#N)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)nc(C)n1 ZINC000431130157 567058473 /nfs/dbraw/zinc/05/84/73/567058473.db2.gz WQKOKRBFKJBMLJ-CYBMUJFWSA-N 0 0 375.182 3.254 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000521421029 567059241 /nfs/dbraw/zinc/05/92/41/567059241.db2.gz LUAHIOVSFOKKLR-BZNIZROVSA-N 0 0 381.263 3.285 20 30 GGEDRN Cn1ncc(C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)c1C#N ZINC000431156255 567060093 /nfs/dbraw/zinc/06/00/93/567060093.db2.gz KCCPUNCXCBMNQZ-CQSZACIVSA-N 0 0 377.217 3.171 20 30 GGEDRN N#CCC1(CNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000431166674 567061383 /nfs/dbraw/zinc/06/13/83/567061383.db2.gz LHMDSXMXKXENSB-MRXNPFEDSA-N 0 0 376.298 3.396 20 30 GGEDRN CCc1nn(C)cc1-c1noc(COc2cccc(Br)c2C#N)n1 ZINC000453190228 567061555 /nfs/dbraw/zinc/06/15/55/567061555.db2.gz TUHJCBCZPSCMBG-UHFFFAOYSA-N 0 0 388.225 3.246 20 30 GGEDRN COCC1(C#N)CCN(C(=O)Nc2ccc(OC)cc2Br)CC1 ZINC000495505216 567062020 /nfs/dbraw/zinc/06/20/20/567062020.db2.gz ALKNGWQYSHBTLN-UHFFFAOYSA-N 0 0 382.258 3.242 20 30 GGEDRN CC(C)(C#N)CCS(=O)(=O)N1CCc2cc(Br)cc(F)c21 ZINC000521515563 567063303 /nfs/dbraw/zinc/06/33/03/567063303.db2.gz DNDTUHVXZVAXDO-UHFFFAOYSA-N 0 0 375.263 3.220 20 30 GGEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2ncc(Cl)s2)CC1 ZINC000473147834 567064953 /nfs/dbraw/zinc/06/49/53/567064953.db2.gz FLMYXINULKXJHE-UHFFFAOYSA-N 0 0 375.841 3.238 20 30 GGEDRN C=CC[C@@H](CO)CNC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000431223335 567066721 /nfs/dbraw/zinc/06/67/21/567066721.db2.gz RFUQDAKPEXANBA-MRVWCRGKSA-N 0 0 385.277 3.318 20 30 GGEDRN Cc1ccc(CCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c(Br)c1 ZINC000613878597 567067815 /nfs/dbraw/zinc/06/78/15/567067815.db2.gz DTIRXMLRJFALBA-GOSISDBHSA-N 0 0 392.341 3.383 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](COC)c1ccco1 ZINC000495813265 567068034 /nfs/dbraw/zinc/06/80/34/567068034.db2.gz YFMCILUJVGPHFD-ZDUSSCGKSA-N 0 0 382.869 3.013 20 30 GGEDRN CS(=O)(=O)Nc1ccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1 ZINC000521604561 567068554 /nfs/dbraw/zinc/06/85/54/567068554.db2.gz JEAKSOOWKRRIDH-CQSZACIVSA-N 0 0 398.271 3.360 20 30 GGEDRN Cc1cc(CN2CCN(c3cc(Br)c(C#N)cc3F)CC2)on1 ZINC000565447736 567069067 /nfs/dbraw/zinc/06/90/67/567069067.db2.gz OZZDNMVMGSZTCJ-UHFFFAOYSA-N 0 0 379.233 3.079 20 30 GGEDRN N#CC1(CS(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CCCCC1 ZINC000613929881 567071788 /nfs/dbraw/zinc/07/17/88/567071788.db2.gz KHAYWVWPQMLQKP-GHMZBOCLSA-N 0 0 392.365 3.463 20 30 GGEDRN Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000496210381 567072188 /nfs/dbraw/zinc/07/21/88/567072188.db2.gz KNTTZYMLMPJQDW-ZUZCIYMTSA-N 0 0 375.270 3.284 20 30 GGEDRN Cc1c(C(=O)N[C@@H](C#N)c2cccc(Br)c2)nnn1-c1ccccc1 ZINC000496197266 567072591 /nfs/dbraw/zinc/07/25/91/567072591.db2.gz NFDLDGQAEBFUCD-INIZCTEOSA-N 0 0 396.248 3.333 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)NCc2c(F)c(F)cc(F)c2F)c1 ZINC000613931155 567072877 /nfs/dbraw/zinc/07/28/77/567072877.db2.gz YEOMBIDNVFWLRK-UHFFFAOYSA-N 0 0 378.734 3.247 20 30 GGEDRN C=CCCCCNC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000473310501 567073533 /nfs/dbraw/zinc/07/35/33/567073533.db2.gz NHDARTQDBSBZPK-UHFFFAOYSA-N 0 0 391.269 3.046 20 30 GGEDRN N#C[C@@H](NC(=O)[C@@H](O)Cc1ccccc1Cl)c1ccccc1Br ZINC000613954366 567073805 /nfs/dbraw/zinc/07/38/05/567073805.db2.gz HNLCYAZZYGDJNI-CVEARBPZSA-N 0 0 393.668 3.387 20 30 GGEDRN Cc1cc2ncc(C(=O)N[C@H](C#N)c3cccc(Br)c3)c(C)n2n1 ZINC000496290636 567073903 /nfs/dbraw/zinc/07/39/03/567073903.db2.gz LGKAQLQAAYHQGP-OAHLLOKOSA-N 0 0 384.237 3.103 20 30 GGEDRN Cc1nn(C)c2nc(C(=O)N[C@@H](C#N)c3cccc(Br)c3)ccc12 ZINC000496271242 567074530 /nfs/dbraw/zinc/07/45/30/567074530.db2.gz IDQNUBFBPVTLQB-HNNXBMFYSA-N 0 0 384.237 3.034 20 30 GGEDRN N#Cc1cnc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c(Cl)c1 ZINC000496223997 567074546 /nfs/dbraw/zinc/07/45/46/567074546.db2.gz DSJFLGNAQZYORN-ZDUSSCGKSA-N 0 0 375.613 3.364 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccc(OC(F)F)cn1)c1ccccc1Br ZINC000613954418 567074566 /nfs/dbraw/zinc/07/45/66/567074566.db2.gz MRKSANKQMRXPMM-CYBMUJFWSA-N 0 0 382.164 3.440 20 30 GGEDRN COc1cc(C)c(Br)cc1S(=O)(=O)NCC(C)(C)CCC#N ZINC000584855705 567075159 /nfs/dbraw/zinc/07/51/59/567075159.db2.gz QUJHUVCXSGGTJR-UHFFFAOYSA-N 0 0 389.315 3.374 20 30 GGEDRN COc1ccc(Br)cc1CN(C)c1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000584844908 567076206 /nfs/dbraw/zinc/07/62/06/567076206.db2.gz MYXRIVNXRLHZTB-UHFFFAOYSA-N 0 0 391.225 3.456 20 30 GGEDRN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C#N)s2)cc1 ZINC000565531692 567076196 /nfs/dbraw/zinc/07/61/96/567076196.db2.gz MMIHHBRBOHEIMF-UHFFFAOYSA-N 0 0 377.491 3.083 20 30 GGEDRN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2SCCC#N)cc1 ZINC000521714007 567076393 /nfs/dbraw/zinc/07/63/93/567076393.db2.gz YCBNPOGOCHNWPA-UHFFFAOYSA-N 0 0 375.475 3.452 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)c1 ZINC000521733172 567077311 /nfs/dbraw/zinc/07/73/11/567077311.db2.gz DMXCORHFFRMFAI-IAGOWNOFSA-N 0 0 391.290 3.296 20 30 GGEDRN C=CCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC000635029897 567077623 /nfs/dbraw/zinc/07/76/23/567077623.db2.gz RDVOJUAXKWVJGU-PHIMTYICSA-N 0 0 381.299 3.038 20 30 GGEDRN C=CCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC000635027987 567077699 /nfs/dbraw/zinc/07/76/99/567077699.db2.gz HPEXAXHZRGCXRB-TXEJJXNPSA-N 0 0 393.260 3.115 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)c1 ZINC000521733174 567077736 /nfs/dbraw/zinc/07/77/36/567077736.db2.gz DMXCORHFFRMFAI-SJORKVTESA-N 0 0 391.290 3.296 20 30 GGEDRN C=CCn1c(SCC(=O)NCC2CCC2)nc2sc(C)c(C)c2c1=O ZINC000521750603 567077755 /nfs/dbraw/zinc/07/77/55/567077755.db2.gz DQFKNGQUXVCHMD-UHFFFAOYSA-N 0 0 377.535 3.269 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000496718992 567078349 /nfs/dbraw/zinc/07/83/49/567078349.db2.gz CJCYCGKRKTXSPN-UHFFFAOYSA-N 0 0 391.265 3.029 20 30 GGEDRN Cc1ccc(Cl)cc1S(=O)(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000565562165 567078944 /nfs/dbraw/zinc/07/89/44/567078944.db2.gz UNHXUTSSGUFXER-UHFFFAOYSA-N 0 0 378.881 3.357 20 30 GGEDRN COc1cc(C(=O)NCCOCC(F)(F)C(F)F)ccc1C(F)(F)F ZINC000614029649 567079403 /nfs/dbraw/zinc/07/94/03/567079403.db2.gz YLUDQVVETIJFHQ-UHFFFAOYSA-N 0 0 377.256 3.361 20 30 GGEDRN C=CC[C@@H](C)NC(=O)C(=O)Nc1cc(OC)c(Br)cc1Cl ZINC000657649490 567080928 /nfs/dbraw/zinc/08/09/28/567080928.db2.gz SRTUIMMVZGYPRT-MRVPVSSYSA-N 0 0 375.650 3.130 20 30 GGEDRN N#CCC1(CS(=O)(=O)N2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC000565587635 567080999 /nfs/dbraw/zinc/08/09/99/567080999.db2.gz JRUCFSPLZZHEKD-AWEZNQCLSA-N 0 0 384.299 3.005 20 30 GGEDRN N#CC1(CNC(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CCC1 ZINC000565589533 567081280 /nfs/dbraw/zinc/08/12/80/567081280.db2.gz PWUQYXFUMNXWCJ-UHFFFAOYSA-N 0 0 375.782 3.159 20 30 GGEDRN N#Cc1cc(NC(=O)CS(=O)(=O)Cc2ccc(Cl)s2)ccc1Cl ZINC000585709679 567082216 /nfs/dbraw/zinc/08/22/16/567082216.db2.gz VRZYBHGWRAXIRK-UHFFFAOYSA-N 0 0 389.285 3.480 20 30 GGEDRN N#CC1(NC(=O)CN2CCC[C@H]2c2ccc(Br)cn2)CCCCC1 ZINC000585717054 567082316 /nfs/dbraw/zinc/08/23/16/567082316.db2.gz DDYYAKUTBLKHHP-INIZCTEOSA-N 0 0 391.313 3.324 20 30 GGEDRN O=C(CCOCC(F)(F)C(F)F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000682911911 567082422 /nfs/dbraw/zinc/08/24/22/567082422.db2.gz OSPLJSFZHRYGRH-BQBZGAKWSA-N 0 0 393.221 3.493 20 30 GGEDRN C=CCNC(=O)CNC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000496917243 567082809 /nfs/dbraw/zinc/08/28/09/567082809.db2.gz YVTAMZADDAZMFF-UHFFFAOYSA-N 0 0 399.303 3.464 20 30 GGEDRN N#Cc1cn(C[C@@H]2COc3ccccc3O2)c2ccc(Br)cc2c1=O ZINC000585731946 567083679 /nfs/dbraw/zinc/08/36/79/567083679.db2.gz FLTIWJMJJXJYPU-CQSZACIVSA-N 0 0 397.228 3.476 20 30 GGEDRN N#Cc1ccc(I)c(OC[C@@H]2COc3ccccc3O2)c1 ZINC000585732576 567083711 /nfs/dbraw/zinc/08/37/11/567083711.db2.gz DAYYMXBLNJZNCB-LBPRGKRZSA-N 0 0 393.180 3.382 20 30 GGEDRN Cc1cc(S(=O)(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)c(Cl)cc1F ZINC000565651147 567086819 /nfs/dbraw/zinc/08/68/19/567086819.db2.gz NWLWWSVBKYOMQH-IAGOWNOFSA-N 0 0 386.876 3.404 20 30 GGEDRN CC(C)(CCC#N)CNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000521933962 567088254 /nfs/dbraw/zinc/08/82/54/567088254.db2.gz NYKQGWYUMBUGSY-UHFFFAOYSA-N 0 0 381.270 3.209 20 30 GGEDRN Cc1ccc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c(Br)c1 ZINC000565673286 567088211 /nfs/dbraw/zinc/08/82/11/567088211.db2.gz BSSUFBADHLGIQP-AWEZNQCLSA-N 0 0 386.249 3.318 20 30 GGEDRN CC[C@H](C#N)NC(=O)c1ccc(I)c(Br)c1 ZINC000545918871 567088879 /nfs/dbraw/zinc/08/88/79/567088879.db2.gz IZZQOFLSLSDRKP-MRVPVSSYSA-N 0 0 393.022 3.086 20 30 GGEDRN Cn1cc([C@]2(C)CN(c3c(Br)cc(Cl)cc3C#N)CCO2)cn1 ZINC000585779804 567089066 /nfs/dbraw/zinc/08/90/66/567089066.db2.gz MUICFGOAXIOVJS-INIZCTEOSA-N 0 0 395.688 3.460 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)N2CCc3cc(Br)cc(F)c3C2)c1 ZINC000565675697 567089334 /nfs/dbraw/zinc/08/93/34/567089334.db2.gz VIRVXMRAWVMSJW-UHFFFAOYSA-N 0 0 395.253 3.207 20 30 GGEDRN Cn1cc([C@H]2CN(c3c(Br)cc(Cl)cc3C#N)CCO2)cn1 ZINC000585779883 567089762 /nfs/dbraw/zinc/08/97/62/567089762.db2.gz WPEOCEVRJAJNED-CQSZACIVSA-N 0 0 381.661 3.286 20 30 GGEDRN Cc1ccc(-n2cnnc2SCC(=O)N(C)CC(C)(C)C#N)cc1Cl ZINC000497330041 567089974 /nfs/dbraw/zinc/08/99/74/567089974.db2.gz VQFZVFJYAOLEJD-UHFFFAOYSA-N 0 0 377.901 3.329 20 30 GGEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(Cl)cn2)CC1 ZINC000473567484 567090211 /nfs/dbraw/zinc/09/02/11/567090211.db2.gz HDRYLNHMAWUEQN-QGZVFWFLSA-N 0 0 375.259 3.411 20 30 GGEDRN COc1ccsc1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000473570812 567090427 /nfs/dbraw/zinc/09/04/27/567090427.db2.gz RXZYZAWJLPJHII-OAHLLOKOSA-N 0 0 375.881 3.433 20 30 GGEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccncc2Cl)CC1 ZINC000473563462 567090616 /nfs/dbraw/zinc/09/06/16/567090616.db2.gz URDAFYKJMJBRQH-QGZVFWFLSA-N 0 0 375.259 3.411 20 30 GGEDRN N#C[C@@]1(C(=O)N=c2[nH]n(CC(F)(F)F)cc2Br)CC12CCCC2 ZINC000565710944 567091309 /nfs/dbraw/zinc/09/13/09/567091309.db2.gz SXWROYLYKMYYLY-CYBMUJFWSA-N 0 0 391.191 3.042 20 30 GGEDRN CNc1ccc(C#N)cc1NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000565709254 567091876 /nfs/dbraw/zinc/09/18/76/567091876.db2.gz TZWBBYNTRGXLTE-CYBMUJFWSA-N 0 0 399.248 3.427 20 30 GGEDRN COc1ccc(I)c(NC(=O)c2ccc(C#N)c(C)n2)c1 ZINC000497345215 567091980 /nfs/dbraw/zinc/09/19/80/567091980.db2.gz VDFQGDFFFOHGPF-UHFFFAOYSA-N 0 0 393.184 3.127 20 30 GGEDRN N#Cc1cnc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c(Cl)c1 ZINC000431570488 567092157 /nfs/dbraw/zinc/09/21/57/567092157.db2.gz 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C[C@@H](Cc1cccs1)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432884391 567201239 /nfs/dbraw/zinc/20/12/39/567201239.db2.gz NRCMUEUNIOMQDA-JTQLQIEISA-N 0 0 385.308 3.292 20 30 GGEDRN COc1cccc([C@@H](C)NS(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432886701 567201454 /nfs/dbraw/zinc/20/14/54/567201454.db2.gz XONOTXHTOVQUQY-LLVKDONJSA-N 0 0 395.278 3.369 20 30 GGEDRN COc1cc(Br)cc(NC(=O)COc2ccc(C#N)cc2OC)c1 ZINC000498783207 567201771 /nfs/dbraw/zinc/20/17/71/567201771.db2.gz WIDXVUWWPVRQMQ-UHFFFAOYSA-N 0 0 391.221 3.355 20 30 GGEDRN CC#CCN(C)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000454792123 567202384 /nfs/dbraw/zinc/20/23/84/567202384.db2.gz SWMOADYADCQYPL-UHFFFAOYSA-N 0 0 380.164 3.272 20 30 GGEDRN C[C@H](NC(=O)C1(C#N)CC(C)C1)c1ccc(Br)cc1OCCCO ZINC000590003651 567202593 /nfs/dbraw/zinc/20/25/93/567202593.db2.gz SYDYPGJECRSTJK-XYEKJYRLSA-N 0 0 395.297 3.327 20 30 GGEDRN C=CCn1c(SCC(=O)N2CCOC2)nnc1-c1ccc(Cl)cc1Cl ZINC000615752086 567203156 /nfs/dbraw/zinc/20/31/56/567203156.db2.gz GTLJYGLZKREIDP-UHFFFAOYSA-N 0 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C=CCN(C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000454910108 567211991 /nfs/dbraw/zinc/21/19/91/567211991.db2.gz IQLMVOHXHXJLJD-DOMZBBRYSA-N 0 0 375.412 3.168 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000498912874 567212181 /nfs/dbraw/zinc/21/21/81/567212181.db2.gz WARTXZUMLPWWHW-QGZVFWFLSA-N 0 0 378.270 3.224 20 30 GGEDRN C[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)c(Br)c1 ZINC000590194947 567213352 /nfs/dbraw/zinc/21/33/52/567213352.db2.gz NVKBSPRYRXGAIF-MGPLVRAMSA-N 0 0 376.229 3.337 20 30 GGEDRN N#C[C@H](NC(=O)c1ccnc(-c2ncc[nH]2)c1)c1cccc(Br)c1 ZINC000590200049 567213766 /nfs/dbraw/zinc/21/37/66/567213766.db2.gz UXVUPPCYEZOOGY-HNNXBMFYSA-N 0 0 382.221 3.229 20 30 GGEDRN Cc1cc(NC(=O)Nc2cc(Br)c(F)cc2C)nn1CCC#N ZINC000474954688 567214240 /nfs/dbraw/zinc/21/42/40/567214240.db2.gz PDWLANGDCDCUKY-UHFFFAOYSA-N 0 0 380.221 3.381 20 30 GGEDRN C=CCc1ccccc1OC[C@H](O)CN[C@H](C)c1ncc(Br)cn1 ZINC000433000035 567214219 /nfs/dbraw/zinc/21/42/19/567214219.db2.gz 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COc1ccc(NC(=O)CC#N)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000475280132 567237601 /nfs/dbraw/zinc/23/76/01/567237601.db2.gz NMSVMFMHQFCWEN-UHFFFAOYSA-N 0 0 379.825 3.002 20 30 GGEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000590665254 567237587 /nfs/dbraw/zinc/23/75/87/567237587.db2.gz QZZHJOXPVGBOQG-RCCFBDPRSA-N 0 0 390.325 3.245 20 30 GGEDRN N#Cc1c(Br)cccc1OCC(=O)Nc1nnc(C2CC2)s1 ZINC000590648264 567237602 /nfs/dbraw/zinc/23/76/02/567237602.db2.gz CQJLVWYXCGRUND-UHFFFAOYSA-N 0 0 379.239 3.067 20 30 GGEDRN N#Cc1ccc2c(c1)N(CCS(=O)(=O)c1cccc(Br)c1)CC2 ZINC000567334912 567237764 /nfs/dbraw/zinc/23/77/64/567237764.db2.gz YQYYODOEYHUZOU-UHFFFAOYSA-N 0 0 391.290 3.157 20 30 GGEDRN N#Cc1c(Br)cccc1OCC(=O)N1CC[C@@H](c2ccco2)C1 ZINC000590667924 567237907 /nfs/dbraw/zinc/23/79/07/567237907.db2.gz ZORZWEKSOWNYKS-GFCCVEGCSA-N 0 0 375.222 3.309 20 30 GGEDRN N#Cc1c(Br)cccc1OCC(=O)N1CC[C@H]2[C@@H](C(F)(F)F)[C@H]21 ZINC000590674275 567238096 /nfs/dbraw/zinc/23/80/96/567238096.db2.gz 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0 378.270 3.298 20 30 GGEDRN Cc1c(S(=O)(=O)N(C)[C@](C)(C#N)C2CC2)cnn1-c1ccc(Cl)cc1 ZINC000476439958 567323929 /nfs/dbraw/zinc/32/39/29/567323929.db2.gz WPPSHKXXVFAFDK-QGZVFWFLSA-N 0 0 378.885 3.147 20 30 GGEDRN Cn1cc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)cc(Br)c1=O ZINC000455958803 567325193 /nfs/dbraw/zinc/32/51/93/567325193.db2.gz WDVRDGDFJBWWFT-UHFFFAOYSA-N 0 0 388.265 3.227 20 30 GGEDRN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC(CCC#N)CC1 ZINC000568394245 567326046 /nfs/dbraw/zinc/32/60/46/567326046.db2.gz HMIRJAPXKCMQIX-LLVKDONJSA-N 0 0 398.326 3.171 20 30 GGEDRN O=S(=O)(Cc1cccc(C(F)(F)F)c1)NCCOCC(F)(F)C(F)F ZINC000434762491 567326266 /nfs/dbraw/zinc/32/62/66/567326266.db2.gz HBKVLACICKRZOP-UHFFFAOYSA-N 0 0 397.312 3.042 20 30 GGEDRN CC(C)[C@@H](C#N)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000500493994 567326191 /nfs/dbraw/zinc/32/61/91/567326191.db2.gz ZDLPEKHTUQFZBJ-SNVBAGLBSA-N 0 0 385.205 3.294 20 30 GGEDRN C=CCCNC(=O)c1nnn(Cc2cccc(Br)c2)c1CCC ZINC000617615873 567326221 /nfs/dbraw/zinc/32/62/21/567326221.db2.gz AHXXCFYUIVGWNO-UHFFFAOYSA-N 0 0 377.286 3.347 20 30 GGEDRN C=CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000617616273 567326401 /nfs/dbraw/zinc/32/64/01/567326401.db2.gz PQEKGMKECNIRBX-AWEZNQCLSA-N 0 0 379.298 3.302 20 30 GGEDRN N#Cc1ccc(OCC(=O)N2CCc3cc(Br)cc(F)c3C2)cc1 ZINC000527279126 567326370 /nfs/dbraw/zinc/32/63/70/567326370.db2.gz FDIPPCAQVHGBOU-UHFFFAOYSA-N 0 0 389.224 3.424 20 30 GGEDRN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)N1CC[C@@](F)(C#N)C1 ZINC000592258022 567326514 /nfs/dbraw/zinc/32/65/14/567326514.db2.gz ZDMOKOMPPYJZTI-CYBMUJFWSA-N 0 0 379.335 3.413 20 30 GGEDRN CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1Cl ZINC000434771038 567327187 /nfs/dbraw/zinc/32/71/87/567327187.db2.gz AGWIDTDIOIJOLK-HNNXBMFYSA-N 0 0 387.864 3.140 20 30 GGEDRN C[C@@H](C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)n1nnnc1C(C)(C)C ZINC000476481672 567327212 /nfs/dbraw/zinc/32/72/12/567327212.db2.gz BSDMHEOHUVPDBU-CABZTGNLSA-N 0 0 381.267 3.219 20 30 GGEDRN CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCCC(C)(C)[C@H]2C#N)cc1Cl ZINC000434771039 567327347 /nfs/dbraw/zinc/32/73/47/567327347.db2.gz AGWIDTDIOIJOLK-OAHLLOKOSA-N 0 0 387.864 3.140 20 30 GGEDRN CC1(C)CCCN(S(=O)(=O)c2cc(F)c(Br)cc2F)[C@@H]1C#N ZINC000434774794 567327599 /nfs/dbraw/zinc/32/75/99/567327599.db2.gz JLNVHORZHHHOQU-CYBMUJFWSA-N 0 0 393.253 3.430 20 30 GGEDRN COc1cc(Br)cc(S(=O)(=O)N2CCCC(C)(C)[C@H]2C#N)c1 ZINC000434773552 567328068 /nfs/dbraw/zinc/32/80/68/567328068.db2.gz FAHLIVGJALVIBS-CQSZACIVSA-N 0 0 387.299 3.161 20 30 GGEDRN N#Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(Br)cc1F)CC2 ZINC000476496471 567328244 /nfs/dbraw/zinc/32/82/44/567328244.db2.gz YUHRRCBBSGHVTD-UHFFFAOYSA-N 0 0 381.226 3.211 20 30 GGEDRN Cn1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)c1C#N ZINC000476488421 567328608 /nfs/dbraw/zinc/32/86/08/567328608.db2.gz VCHUYWOTYVTKLB-UHFFFAOYSA-N 0 0 389.131 3.205 20 30 GGEDRN CC1(C#N)CN(C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)C1 ZINC000592278041 567328622 /nfs/dbraw/zinc/32/86/22/567328622.db2.gz YPLVIRPRXBWVJF-UHFFFAOYSA-N 0 0 378.255 3.345 20 30 GGEDRN COCCN(Cc1ccc(F)cc1Cl)S(=O)(=O)c1ccc(C#N)cc1 ZINC000500526759 567329046 /nfs/dbraw/zinc/32/90/46/567329046.db2.gz GDHBKVZGBLUNBW-UHFFFAOYSA-N 0 0 382.844 3.188 20 30 GGEDRN CC[C@H](C)Oc1cc(CNS(=O)(=O)c2cc(C#N)ccc2Cl)ccn1 ZINC000476505468 567329929 /nfs/dbraw/zinc/32/99/29/567329929.db2.gz HCHNHIYGODOPRD-LBPRGKRZSA-N 0 0 379.869 3.262 20 30 GGEDRN N#Cc1cc(C(=O)NCCCCn2cc(Br)cn2)ccc1Cl ZINC000527322864 567330753 /nfs/dbraw/zinc/33/07/53/567330753.db2.gz YOEMZEOVENKZSO-UHFFFAOYSA-N 0 0 381.661 3.381 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@H]2C2CCC2)cc1Br ZINC000592318862 567330870 /nfs/dbraw/zinc/33/08/70/567330870.db2.gz LPCUMDPNEYOEHX-INIZCTEOSA-N 0 0 390.281 3.440 20 30 GGEDRN N#CC1(NC(=O)Cc2csc3ccc(Br)cc23)CCOCC1 ZINC000527318380 567331213 /nfs/dbraw/zinc/33/12/13/567331213.db2.gz SVQCRCGDBRRXII-UHFFFAOYSA-N 0 0 379.279 3.395 20 30 GGEDRN C=CCN(CC=C)C(=O)[C@@H](C)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000500589377 567331560 /nfs/dbraw/zinc/33/15/60/567331560.db2.gz HOJKTBJJLHZXRJ-CRAIPNDOSA-N 0 0 393.325 3.412 20 30 GGEDRN C=CCN(CC=C)C(=O)[C@H](C)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000500589381 567331605 /nfs/dbraw/zinc/33/16/05/567331605.db2.gz HOJKTBJJLHZXRJ-MAUKXSAKSA-N 0 0 393.325 3.412 20 30 GGEDRN CCN(CC)C(=O)COc1c(Br)cc(C#N)cc1Br ZINC000592361079 567332686 /nfs/dbraw/zinc/33/26/86/567332686.db2.gz GJVOKUNLYSHEEQ-UHFFFAOYSA-N 0 0 390.075 3.330 20 30 GGEDRN CCCCNC(=O)COc1c(Br)cc(C#N)cc1Br ZINC000592360961 567332781 /nfs/dbraw/zinc/33/27/81/567332781.db2.gz BOPXPKYWCBRMMF-UHFFFAOYSA-N 0 0 390.075 3.378 20 30 GGEDRN C=CCC[C@@H]1NC(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C1=O ZINC000568492084 567333695 /nfs/dbraw/zinc/33/36/95/567333695.db2.gz CPTOVDLWXKYDGI-NSHDSACASA-N 0 0 376.766 3.052 20 30 GGEDRN CSC[C@@](C)(C#N)NS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000592384366 567334850 /nfs/dbraw/zinc/33/48/50/567334850.db2.gz WJZOIGWUNVDMHY-LLVKDONJSA-N 0 0 388.820 3.162 20 30 GGEDRN C=CC[C@H]1CCCN(C(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000617778670 567334830 /nfs/dbraw/zinc/33/48/30/567334830.db2.gz LOGZVVILRUGBNU-ZDUSSCGKSA-N 0 0 375.270 3.458 20 30 GGEDRN C=CC[C@H]1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000617787865 567334887 /nfs/dbraw/zinc/33/48/87/567334887.db2.gz ZHPAYPQHEZYFRN-HNNXBMFYSA-N 0 0 382.551 3.351 20 30 GGEDRN COc1cc(Br)c(CSCC(=O)NC2(C#N)CCC2)cc1OC ZINC000527367832 567335091 /nfs/dbraw/zinc/33/50/91/567335091.db2.gz VZJNUZDDGZIBNM-UHFFFAOYSA-N 0 0 399.310 3.262 20 30 GGEDRN C=CC[C@@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)C1 ZINC000617785793 567335279 /nfs/dbraw/zinc/33/52/79/567335279.db2.gz OGDLXQHCPGUJQB-GFCCVEGCSA-N 0 0 385.327 3.397 20 30 GGEDRN N#CC1(NC(=O)CN2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)CCC1 ZINC000527377534 567335490 /nfs/dbraw/zinc/33/54/90/567335490.db2.gz LLDWREKMZCOXRS-OAHLLOKOSA-N 0 0 386.254 3.068 20 30 GGEDRN CS(=O)(=O)Nc1ccc(CNc2cccc(Br)c2C#N)cc1 ZINC000527384224 567335510 /nfs/dbraw/zinc/33/55/10/567335510.db2.gz XYJCCYOJRIWXOP-UHFFFAOYSA-N 0 0 380.267 3.304 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)NCc2cccc(Br)c2)c1 ZINC000500641628 567335677 /nfs/dbraw/zinc/33/56/77/567335677.db2.gz HPZNGYJGMUPKJF-UHFFFAOYSA-N 0 0 383.242 3.079 20 30 GGEDRN COc1cc(C#N)ccc1NC(=O)c1cc(Br)c(C)nc1OC ZINC000548601623 567336034 /nfs/dbraw/zinc/33/60/34/567336034.db2.gz ORIDAEGHUOFYAK-UHFFFAOYSA-N 0 0 376.210 3.294 20 30 GGEDRN CC[C@](C)(COc1ncccc1Cl)NS(=O)(=O)c1cccc(C#N)c1 ZINC000434961108 567336513 /nfs/dbraw/zinc/33/65/13/567336513.db2.gz BTNDLKQGKAOHJP-QGZVFWFLSA-N 0 0 379.869 3.133 20 30 GGEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(CC)CCSC ZINC000592413949 567336931 /nfs/dbraw/zinc/33/69/31/567336931.db2.gz CKVWEBGPXQCWQG-UHFFFAOYSA-N 0 0 379.555 3.035 20 30 GGEDRN N#Cc1cccc(C2(C(=O)NCc3cn4cc(Br)ccc4n3)CC2)c1 ZINC000435010546 567337501 /nfs/dbraw/zinc/33/75/01/567337501.db2.gz YOYJHKDFABOFOQ-UHFFFAOYSA-N 0 0 395.260 3.316 20 30 GGEDRN C[C@H](NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)[C@@H](O)C(F)(F)F ZINC000640005123 567337801 /nfs/dbraw/zinc/33/78/01/567337801.db2.gz YSISGYYNGPLFMA-MPWNKIQUSA-N 0 0 380.235 3.179 20 30 GGEDRN C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000500685901 567338310 /nfs/dbraw/zinc/33/83/10/567338310.db2.gz RBLWSQFDIDLWNC-DGCLKSJQSA-N 0 0 378.270 3.344 20 30 GGEDRN CCOCC[C@@H](O)COc1c(Br)cc(C#N)cc1Br ZINC000592446567 567338911 /nfs/dbraw/zinc/33/89/11/567338911.db2.gz HDWSBBJPAXLXCF-SNVBAGLBSA-N 0 0 393.075 3.250 20 30 GGEDRN CN(Cc1cccc(Br)c1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500703156 567339484 /nfs/dbraw/zinc/33/94/84/567339484.db2.gz JDNMHVZAEQWAKY-UHFFFAOYSA-N 0 0 397.269 3.422 20 30 GGEDRN CSC[C@H](O)COc1c(Br)cc(C#N)cc1Br ZINC000592446614 567339811 /nfs/dbraw/zinc/33/98/11/567339811.db2.gz JDHBMHRGEXIJKN-MRVPVSSYSA-N 0 0 381.089 3.186 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N(CC)c2cccc(Cl)c2)c1 ZINC000500715371 567340457 /nfs/dbraw/zinc/34/04/57/567340457.db2.gz ROYPVDIHMPYZJM-UHFFFAOYSA-N 0 0 378.881 3.471 20 30 GGEDRN C[S@@](=O)c1cccc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000435164274 567343160 /nfs/dbraw/zinc/34/31/60/567343160.db2.gz COVGJUVTRNCRDG-XMMPIXPASA-N 0 0 388.392 3.115 20 30 GGEDRN COc1ccc(C[NH+](C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000548695923 567343361 /nfs/dbraw/zinc/34/33/61/567343361.db2.gz YIVWTVWICJKQDR-UHFFFAOYSA-N 0 0 379.869 3.083 20 30 GGEDRN N#Cc1cc(F)ccc1NC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000435160031 567344226 /nfs/dbraw/zinc/34/42/26/567344226.db2.gz BZAWSMHIJVYVGD-UHFFFAOYSA-N 0 0 388.200 3.429 20 30 GGEDRN C[S@](=O)c1cccc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000435164273 567344296 /nfs/dbraw/zinc/34/42/96/567344296.db2.gz COVGJUVTRNCRDG-DEOSSOPVSA-N 0 0 388.392 3.115 20 30 GGEDRN CC#CCCCC(=O)N(C)[C@H](C(=O)OC)c1cc(OC)ccc1Br ZINC000456140712 567344796 /nfs/dbraw/zinc/34/47/96/567344796.db2.gz YTGPFWGAGMKFKD-KRWDZBQOSA-N 0 0 396.281 3.324 20 30 GGEDRN CC#CCCCC(=O)N(C)[C@@H](C(=O)OC)c1cc(OC)ccc1Br ZINC000456140716 567345226 /nfs/dbraw/zinc/34/52/26/567345226.db2.gz YTGPFWGAGMKFKD-QGZVFWFLSA-N 0 0 396.281 3.324 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000500794555 567345851 /nfs/dbraw/zinc/34/58/51/567345851.db2.gz TZNBWUAXCMQEBY-BLLLJJGKSA-N 0 0 380.286 3.025 20 30 GGEDRN C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CC[S@@](=O)[C@@H](C)C1 ZINC000568657053 567346097 /nfs/dbraw/zinc/34/60/97/567346097.db2.gz GBPPXUSQJHVAKL-HWRSSNJWSA-N 0 0 378.929 3.056 20 30 GGEDRN CN1c2ccc(Br)cc2N(CC(=O)NC2(C#N)CCC2)CC1(C)C ZINC000548755922 567346642 /nfs/dbraw/zinc/34/66/42/567346642.db2.gz CKFDTLRIZGCONX-UHFFFAOYSA-N 0 0 391.313 3.046 20 30 GGEDRN COCCN(C(=O)C[C@@H](C)n1cc(Br)cn1)c1ccc(C#N)cc1 ZINC000592596802 567349276 /nfs/dbraw/zinc/34/92/76/567349276.db2.gz GQJMHDUTSPJSNR-CYBMUJFWSA-N 0 0 391.269 3.148 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)c1noc2c1COCC2 ZINC000527613210 567349683 /nfs/dbraw/zinc/34/96/83/567349683.db2.gz NNELXIRAKLIVRC-UHFFFAOYSA-N 0 0 379.210 3.327 20 30 GGEDRN COCCN(C(=O)C[C@H](C)n1cc(Br)cn1)c1ccc(C#N)cc1 ZINC000592596803 567349757 /nfs/dbraw/zinc/34/97/57/567349757.db2.gz GQJMHDUTSPJSNR-ZDUSSCGKSA-N 0 0 391.269 3.148 20 30 GGEDRN N#Cc1cnccc1NC(=O)c1cc(Br)ccc1Br ZINC000476778883 567349704 /nfs/dbraw/zinc/34/97/04/567349704.db2.gz NJYMPICUBSVPKX-UHFFFAOYSA-N 0 0 381.027 3.152 20 30 GGEDRN C=CCOc1ccc(CNC(=O)Nc2c(Br)c(C)nn2C)cc1 ZINC000640168803 567350087 /nfs/dbraw/zinc/35/00/87/567350087.db2.gz UQJGGLUMHWTFKZ-UHFFFAOYSA-N 0 0 379.258 3.378 20 30 GGEDRN C[C@@H](CC(=O)Nc1nc2c(cc1C#N)CCCC2)n1cc(Br)cn1 ZINC000592615131 567350351 /nfs/dbraw/zinc/35/03/51/567350351.db2.gz OBOJINZRMVXCBX-NSHDSACASA-N 0 0 388.269 3.381 20 30 GGEDRN C[C@H](CC(=O)Nc1nc2c(cc1C#N)CCCC2)n1cc(Br)cn1 ZINC000592615130 567350448 /nfs/dbraw/zinc/35/04/48/567350448.db2.gz OBOJINZRMVXCBX-LLVKDONJSA-N 0 0 388.269 3.381 20 30 GGEDRN C[C@H](CC(=O)N[C@@]1(C#N)CCc2ccccc2C1)n1cc(Br)cn1 ZINC000592620872 567350487 /nfs/dbraw/zinc/35/04/87/567350487.db2.gz QRDSLVJPRUGCRN-ACJLOTCBSA-N 0 0 387.281 3.164 20 30 GGEDRN COc1ccc(NC(=O)N2CCC[C@@](C)(C#N)C2)c(I)c1 ZINC000618007266 567351355 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N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@@]2(CCSC2)C1 ZINC000568833553 567360229 /nfs/dbraw/zinc/36/02/29/567360229.db2.gz VUFSZUNHRIRNSI-OAHLLOKOSA-N 0 0 390.452 3.485 20 30 GGEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)s1)c1ccc(NC(=O)C2CC2)cc1 ZINC000435424853 567360586 /nfs/dbraw/zinc/36/05/86/567360586.db2.gz BJWJIQCWLJHGFX-NSHDSACASA-N 0 0 375.475 3.008 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCc2cc(Cl)ccc2OC(F)F)s1 ZINC000435420947 567360615 /nfs/dbraw/zinc/36/06/15/567360615.db2.gz HBIXLIYZDFWXGC-UHFFFAOYSA-N 0 0 378.809 3.353 20 30 GGEDRN COc1ccccc1SC[C@H](C)CNS(=O)(=O)c1ccc(C#N)s1 ZINC000435422627 567360680 /nfs/dbraw/zinc/36/06/80/567360680.db2.gz MUSPBRXVOBVTPT-GFCCVEGCSA-N 0 0 382.532 3.335 20 30 GGEDRN C=CCN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H](C)COC ZINC000661244825 567360762 /nfs/dbraw/zinc/36/07/62/567360762.db2.gz YTQKGXVYABLVMW-JTQLQIEISA-N 0 0 377.229 3.189 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3F)cs2)s1 ZINC000435415641 567360765 /nfs/dbraw/zinc/36/07/65/567360765.db2.gz 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CC(=O)Nc1ccccc1CC(=O)N[C@H](C#N)c1ccccc1Br ZINC000618214219 567363857 /nfs/dbraw/zinc/36/38/57/567363857.db2.gz UBBZJRQUQYPJBG-QGZVFWFLSA-N 0 0 386.249 3.331 20 30 GGEDRN COc1cc([C@@H](C)NS(=O)(=O)c2ccc(C#N)s2)ccc1OC(C)C ZINC000435432680 567363856 /nfs/dbraw/zinc/36/38/56/567363856.db2.gz OFEUYHKSHQWOAD-GFCCVEGCSA-N 0 0 380.491 3.455 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)N=c1[nH]n(CC(F)(F)F)cc1Cl ZINC000640295858 567364060 /nfs/dbraw/zinc/36/40/60/567364060.db2.gz FRHHJYZSGOXXDK-UHFFFAOYSA-N 0 0 376.766 3.376 20 30 GGEDRN CC(=O)Nc1ccccc1CC(=O)N[C@@H](C#N)c1ccccc1Br ZINC000618214218 567363944 /nfs/dbraw/zinc/36/39/44/567363944.db2.gz UBBZJRQUQYPJBG-KRWDZBQOSA-N 0 0 386.249 3.331 20 30 GGEDRN N#Cc1ccc(N2CCN(Cc3c(F)ccc(Br)c3F)CC2)nc1 ZINC000501102138 567364201 /nfs/dbraw/zinc/36/42/01/567364201.db2.gz QVOOVBBCNMTFGI-UHFFFAOYSA-N 0 0 393.235 3.316 20 30 GGEDRN Cc1ccc(Cl)cc1N1CC[C@H](CNS(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435432297 567364195 /nfs/dbraw/zinc/36/41/95/567364195.db2.gz 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/nfs/dbraw/zinc/42/18/04/567421804.db2.gz FDGZKJWOFPDXBZ-UHFFFAOYSA-N 0 0 378.475 3.007 20 30 GGEDRN Cc1cnn(C[C@H]2CN(c3c(Br)cc(Cl)cc3C#N)CCO2)c1 ZINC000618897848 567422032 /nfs/dbraw/zinc/42/20/32/567422032.db2.gz VWTXROFQEDICMF-CQSZACIVSA-N 0 0 395.688 3.385 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nccn2ccnc12 ZINC000549958417 567422023 /nfs/dbraw/zinc/42/20/23/567422023.db2.gz DJAOQGSIURAHRA-UHFFFAOYSA-N 0 0 389.228 3.459 20 30 GGEDRN CC#CCN(C)S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000549984752 567422351 /nfs/dbraw/zinc/42/23/51/567422351.db2.gz OKNKETBVFQCDJU-UHFFFAOYSA-N 0 0 395.116 3.164 20 30 GGEDRN Cc1cc([C@@H](C#N)C(=O)c2ccc(F)c(I)c2)nc(C)n1 ZINC000477844170 567422779 /nfs/dbraw/zinc/42/27/79/567422779.db2.gz AZPUEDINEMYPEZ-LLVKDONJSA-N 0 0 395.175 3.327 20 30 GGEDRN CC#CCN(C)S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000549987791 567423111 /nfs/dbraw/zinc/42/31/11/567423111.db2.gz TVQFTGSSCQJARD-UHFFFAOYSA-N 0 0 385.308 3.216 20 30 GGEDRN C=CCN(CC(=O)NCc1ccco1)Cc1cc(Br)ccc1F ZINC000502195732 567423161 /nfs/dbraw/zinc/42/31/61/567423161.db2.gz NENWQTUPTGIDAZ-UHFFFAOYSA-N 0 0 381.245 3.486 20 30 GGEDRN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1S(=O)(=O)c1ccsc1C#N ZINC000593545687 567424084 /nfs/dbraw/zinc/42/40/84/567424084.db2.gz OXYVCLKBPGFRKC-RISCZKNCSA-N 0 0 382.894 3.424 20 30 GGEDRN C=C(C)CN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000477879625 567424318 /nfs/dbraw/zinc/42/43/18/567424318.db2.gz NZKMHBSQALGUGO-UHFFFAOYSA-N 0 0 379.176 3.441 20 30 GGEDRN Cc1cc(Br)c(S(=O)(=O)N2CCc3ccc(C#N)cc32)s1 ZINC000550046023 567424641 /nfs/dbraw/zinc/42/46/41/567424641.db2.gz NWTBHBINUJRTLA-UHFFFAOYSA-N 0 0 383.292 3.442 20 30 GGEDRN Cc1ccc(Br)cc1S(=O)(=O)N1CCc2ccc(C#N)cc21 ZINC000550052366 567425834 /nfs/dbraw/zinc/42/58/34/567425834.db2.gz CSZSCAUXIGAAJU-UHFFFAOYSA-N 0 0 377.263 3.381 20 30 GGEDRN COc1ccc(CNC(=O)c2cc(C#N)cc(N(C)C)c2)cc1Br ZINC000550077520 567426406 /nfs/dbraw/zinc/42/64/06/567426406.db2.gz PLSBXQPVBCLJFT-UHFFFAOYSA-N 0 0 388.265 3.325 20 30 GGEDRN C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCOC1 ZINC000550079579 567426597 /nfs/dbraw/zinc/42/65/97/567426597.db2.gz NCPORRONEDIQOC-CYBMUJFWSA-N 0 0 377.286 3.366 20 30 GGEDRN N#CC1(c2ccccn2)CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000593591809 567426902 /nfs/dbraw/zinc/42/69/02/567426902.db2.gz OMYUQDJWYXERLL-UHFFFAOYSA-N 0 0 375.881 3.122 20 30 GGEDRN C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)c2ccccc2O1 ZINC000436478093 567426910 /nfs/dbraw/zinc/42/69/10/567426910.db2.gz OQFVKQZFHOATOL-LLVKDONJSA-N 0 0 393.262 3.297 20 30 GGEDRN CCN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@H](C)C(F)(F)F ZINC000477951633 567426932 /nfs/dbraw/zinc/42/69/32/567426932.db2.gz SSYWYOWICWTMLU-GFCCVEGCSA-N 0 0 376.400 3.177 20 30 GGEDRN N#CC1(c2ccccn2)CCN(S(=O)(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000593591183 567427242 /nfs/dbraw/zinc/42/72/42/567427242.db2.gz FWYXVWKCCHNTOR-UHFFFAOYSA-N 0 0 379.844 3.120 20 30 GGEDRN N#Cc1ccccc1OC[C@H](O)CN1CCc2cc(Br)ccc2C1 ZINC000528468938 567427318 /nfs/dbraw/zinc/42/73/18/567427318.db2.gz FZJWWVVXSCYMBD-GOSISDBHSA-N 0 0 387.277 3.119 20 30 GGEDRN COc1cccc([C@H]2CN(S(=O)(=O)c3ccc(C#N)s3)CC2(C)C)c1 ZINC000528477351 567427360 /nfs/dbraw/zinc/42/73/60/567427360.db2.gz UNXPGLQJRWTPNX-MRXNPFEDSA-N 0 0 376.503 3.443 20 30 GGEDRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000618958073 567428149 /nfs/dbraw/zinc/42/81/49/567428149.db2.gz JGOJZGRFVLDTGF-UHFFFAOYSA-N 0 0 381.251 3.154 20 30 GGEDRN N#CC1(F)CCN(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)CC1 ZINC000477984247 567429596 /nfs/dbraw/zinc/42/95/96/567429596.db2.gz BUROXFNFCQJWNN-UHFFFAOYSA-N 0 0 383.214 3.434 20 30 GGEDRN CC1(C)[C@H](CS(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)C1(F)F ZINC000641365189 567429759 /nfs/dbraw/zinc/42/97/59/567429759.db2.gz WSIPRDYGGQBZCR-FXQIFTODSA-N 0 0 389.308 3.280 20 30 GGEDRN CC[C@H]1COC(C)(C)CN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000593627297 567430025 /nfs/dbraw/zinc/43/00/25/567430025.db2.gz CHKGPUOHTIFKMU-LBPRGKRZSA-N 0 0 376.400 3.155 20 30 GGEDRN CC[C@@H]1CO[C@@H](CC)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000593628822 567430152 /nfs/dbraw/zinc/43/01/52/567430152.db2.gz BKWMIDUBQWJTNM-KGLIPLIRSA-N 0 0 376.400 3.155 20 30 GGEDRN CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@@H](CC)CO1 ZINC000593630211 567430940 /nfs/dbraw/zinc/43/09/40/567430940.db2.gz SVJPCXKTCHDLFZ-QWHCGFSZSA-N 0 0 376.400 3.155 20 30 GGEDRN COc1ccc(C[C@H]2CCCCN2S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000593642460 567431392 /nfs/dbraw/zinc/43/13/92/567431392.db2.gz KVRPAHFHKOTOLS-OAHLLOKOSA-N 0 0 376.503 3.414 20 30 GGEDRN C[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)c2cc(Cl)ccc2O1 ZINC000478018965 567432281 /nfs/dbraw/zinc/43/22/81/567432281.db2.gz QYFYYUQWUDMCBO-CYBMUJFWSA-N 0 0 376.865 3.273 20 30 GGEDRN N#Cc1cc2c(nc1NCCOCc1ccc(Cl)cc1Cl)CCOC2 ZINC000569796042 567432820 /nfs/dbraw/zinc/43/28/20/567432820.db2.gz KTBINLLJDINXCE-UHFFFAOYSA-N 0 0 378.259 3.383 20 30 GGEDRN CC[C@H](C#N)C(=O)NCc1cc(Cl)c(I)cc1OC ZINC000593678131 567434368 /nfs/dbraw/zinc/43/43/68/567434368.db2.gz KYHNUVGKIKOBRH-MRVPVSSYSA-N 0 0 392.624 3.119 20 30 GGEDRN C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)[C@@H]1C ZINC000550218118 567434483 /nfs/dbraw/zinc/43/44/83/567434483.db2.gz XVNODVDONFQSRE-HFAKWTLXSA-N 0 0 378.270 3.200 20 30 GGEDRN CS[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000593675088 567434944 /nfs/dbraw/zinc/43/49/44/567434944.db2.gz LAVQOWIVRFUUII-DGCLKSJQSA-N 0 0 396.310 3.050 20 30 GGEDRN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000593679837 567434969 /nfs/dbraw/zinc/43/49/69/567434969.db2.gz MVFNDLLRLMQCHL-SMDDNHRTSA-N 0 0 378.270 3.200 20 30 GGEDRN CC(C)C[C@@](C)(C#N)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000502456505 567435163 /nfs/dbraw/zinc/43/51/63/567435163.db2.gz OEFIMNOXDGOPCG-KRWDZBQOSA-N 0 0 380.286 3.014 20 30 GGEDRN C=CCC1(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CCCC1 ZINC000619114499 567435251 /nfs/dbraw/zinc/43/52/51/567435251.db2.gz JRFBBAOFCOHWGB-UHFFFAOYSA-N 0 0 391.265 3.050 20 30 GGEDRN C=CCC1(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CCCC1 ZINC000619115033 567435522 /nfs/dbraw/zinc/43/55/22/567435522.db2.gz RYHGPEAKNPTQGK-UHFFFAOYSA-N 0 0 390.281 3.164 20 30 GGEDRN Cc1nc(-c2ccc(CNC(=O)C(=O)Nc3sccc3C#N)s2)cs1 ZINC000550220273 567435628 /nfs/dbraw/zinc/43/56/28/567435628.db2.gz OAVIUUMZZUJLEL-UHFFFAOYSA-N 0 0 388.499 3.368 20 30 GGEDRN C[C@H]1CC(F)(F)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000528547493 567435578 /nfs/dbraw/zinc/43/55/78/567435578.db2.gz GTBVANXKHBUERT-VIFPVBQESA-N 0 0 379.226 3.129 20 30 GGEDRN C[C@@H]1CC(F)(F)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000528547526 567435923 /nfs/dbraw/zinc/43/59/23/567435923.db2.gz GWBGKCFFSXHQHS-SECBINFHSA-N 0 0 379.226 3.129 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)NCc2cc3ccccc3o2)ccc1Br ZINC000550254100 567436005 /nfs/dbraw/zinc/43/60/05/567436005.db2.gz QHQNKCBCUFROLN-UHFFFAOYSA-N 0 0 398.216 3.322 20 30 GGEDRN Cn1cc(Br)c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)n1 ZINC000569831279 567436353 /nfs/dbraw/zinc/43/63/53/567436353.db2.gz IBYZQNLDZMPVLA-LLVKDONJSA-N 0 0 388.052 3.484 20 30 GGEDRN N#Cc1ccc(C2(NS(=O)(=O)c3ccc(Cl)s3)CCOCC2)cc1 ZINC000528551023 567436987 /nfs/dbraw/zinc/43/69/87/567436987.db2.gz GVSFNROYLYCXQY-UHFFFAOYSA-N 0 0 382.894 3.257 20 30 GGEDRN N#C[C@@H]1N(CC(=O)Nc2ccc(Br)cc2)CCC[C@]12CCCCO2 ZINC000619195692 567437970 /nfs/dbraw/zinc/43/79/70/567437970.db2.gz YIEPKOQQBBYBNZ-FUHWJXTLSA-N 0 0 392.297 3.315 20 30 GGEDRN CCCC[C@@](C)(NC(=O)Cn1cnc(C#N)n1)c1cccc(Br)c1 ZINC000478119069 567438131 /nfs/dbraw/zinc/43/81/31/567438131.db2.gz TWKPOMDPXRANEK-QGZVFWFLSA-N 0 0 390.285 3.134 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCCc3occc32)ccc1Br ZINC000550283489 567438329 /nfs/dbraw/zinc/43/83/29/567438329.db2.gz DTJYPMHKSFJQSN-CQSZACIVSA-N 0 0 388.221 3.046 20 30 GGEDRN CCc1ccc(S(=O)(=O)NC2(c3ccc(C#N)cc3)CCOCC2)s1 ZINC000528557029 567438696 /nfs/dbraw/zinc/43/86/96/567438696.db2.gz YDOJQYPNRRRJAC-UHFFFAOYSA-N 0 0 376.503 3.166 20 30 GGEDRN N#C[C@H]1N(CC(=O)Nc2ccc(Br)cc2)CCC[C@@]12CCCCO2 ZINC000619195691 567438799 /nfs/dbraw/zinc/43/87/99/567438799.db2.gz YIEPKOQQBBYBNZ-AEFFLSMTSA-N 0 0 392.297 3.315 20 30 GGEDRN N#Cc1ccc(C2(NS(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000528557033 567438894 /nfs/dbraw/zinc/43/88/94/567438894.db2.gz YGDWQEMBTYTKLW-UHFFFAOYSA-N 0 0 376.865 3.196 20 30 GGEDRN Cc1cc(C)c(S(=O)(=O)NC2(c3ccc(C#N)cc3)CCOCC2)s1 ZINC000528556988 567439090 /nfs/dbraw/zinc/43/90/90/567439090.db2.gz XTRMXHKGJOWKPD-UHFFFAOYSA-N 0 0 376.503 3.221 20 30 GGEDRN N#C[C@@H](NC(=O)Cn1ccc2ccccc2c1=O)c1ccccc1Br ZINC000619242668 567440929 /nfs/dbraw/zinc/44/09/29/567440929.db2.gz HLZLWEZYSHHBTL-QGZVFWFLSA-N 0 0 396.244 3.145 20 30 GGEDRN CCOC(=O)Cc1cnc(N(C)C(=O)c2cccc(SCC#N)c2)s1 ZINC000457111756 567441413 /nfs/dbraw/zinc/44/14/13/567441413.db2.gz PAUGRDYGMYREHG-UHFFFAOYSA-N 0 0 375.475 3.141 20 30 GGEDRN COc1ccc([C@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)C2CC2)cn1 ZINC000528596235 567441889 /nfs/dbraw/zinc/44/18/89/567441889.db2.gz YWTIIPNNVXDPLS-QGZVFWFLSA-N 0 0 377.853 3.045 20 30 GGEDRN CN(C)c1cc(C#N)cc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 ZINC000550342427 567441939 /nfs/dbraw/zinc/44/19/39/567441939.db2.gz KVQFOEFCVNPBNE-KRWDZBQOSA-N 0 0 383.249 3.381 20 30 GGEDRN COc1ccc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)C2CC2)cn1 ZINC000528596234 567442089 /nfs/dbraw/zinc/44/20/89/567442089.db2.gz YWTIIPNNVXDPLS-KRWDZBQOSA-N 0 0 377.853 3.045 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCOc2c(Br)cccc2C1 ZINC000619284463 567444018 /nfs/dbraw/zinc/44/40/18/567444018.db2.gz SYEIUHYIJPTKLK-ACJLOTCBSA-N 0 0 394.313 3.086 20 30 GGEDRN CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000550417812 567445553 /nfs/dbraw/zinc/44/55/53/567445553.db2.gz CFQGECWWIXYOKZ-LBPRGKRZSA-N 0 0 378.270 3.298 20 30 GGEDRN C[C@@H](C#N)N(C)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000436719234 567446088 /nfs/dbraw/zinc/44/60/88/567446088.db2.gz CMTXOONCLVOQSI-JTQLQIEISA-N 0 0 376.210 3.278 20 30 GGEDRN C=CCN(CC(=O)N1C[C@H](C)O[C@@H](C)C1)Cc1cc(Br)ccc1F ZINC000502660980 567446540 /nfs/dbraw/zinc/44/65/40/567446540.db2.gz NYCCABVITZDQNG-KBPBESRZSA-N 0 0 399.304 3.212 20 30 GGEDRN 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C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)Cc1ncc(Cl)s1 ZINC000478851800 567487133 /nfs/dbraw/zinc/48/71/33/567487133.db2.gz JGOQOSPDGGQSCF-UHFFFAOYSA-N 0 0 380.882 3.215 20 30 GGEDRN CN(CCCCNS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000503463151 567487130 /nfs/dbraw/zinc/48/71/30/567487130.db2.gz UWAFSPCNPMUNRB-UHFFFAOYSA-N 0 0 377.897 3.407 20 30 GGEDRN COC(=O)c1ccc(N2CCc3sc(Br)cc3C2)c(C#N)n1 ZINC000594567637 567487235 /nfs/dbraw/zinc/48/72/35/567487235.db2.gz XDWXHUJBCBHLEY-UHFFFAOYSA-N 0 0 378.251 3.127 20 30 GGEDRN N#Cc1cc(NC(=O)N[C@H](CO)c2ccc(Br)cc2)ccc1F ZINC000503469590 567487259 /nfs/dbraw/zinc/48/72/59/567487259.db2.gz ZEZINZGKOABDRG-OAHLLOKOSA-N 0 0 378.201 3.315 20 30 GGEDRN CCCCOc1ncccc1CNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503474622 567487402 /nfs/dbraw/zinc/48/74/02/567487402.db2.gz DEEBDQPZPNASIL-UHFFFAOYSA-N 0 0 379.869 3.264 20 30 GGEDRN Cc1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1S(=O)(=O)N(C)C ZINC000503476622 567487434 /nfs/dbraw/zinc/48/74/34/567487434.db2.gz YARMCJOGHSMQIB-UHFFFAOYSA-N 0 0 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GUVJVPNKJYHYFR-INIZCTEOSA-N 0 0 389.272 3.193 20 30 GGEDRN COC(=O)[C@@H](NC(=O)c1ncc(C#N)cc1C)c1ccc(Cl)cc1Cl ZINC000570913404 567521933 /nfs/dbraw/zinc/52/19/33/567521933.db2.gz AATYVSKGTOPTQR-HNNXBMFYSA-N 0 0 378.215 3.213 20 30 GGEDRN Cc1cc(=NC(=O)CCCc2ccccc2Br)[nH]n1CCC#N ZINC000504113528 567523162 /nfs/dbraw/zinc/52/31/62/567523162.db2.gz XXSWRAQSENMCBA-UHFFFAOYSA-N 0 0 375.270 3.251 20 30 GGEDRN Cc1cc(=NC(=O)CCc2ccc(Br)c(C)c2)[nH]n1CCC#N ZINC000504100872 567523412 /nfs/dbraw/zinc/52/34/12/567523412.db2.gz QSBFXIGOKMNNGU-UHFFFAOYSA-N 0 0 375.270 3.169 20 30 GGEDRN CC[C@H](CC(F)F)Cn1cc(I)c(C)c(C#N)c1=O ZINC000594896000 567523693 /nfs/dbraw/zinc/52/36/93/567523693.db2.gz ORVMPTOGPYCLQE-SECBINFHSA-N 0 0 380.176 3.314 20 30 GGEDRN CCCNC(=O)CSc1nnc(SCCc2ccc(C#N)cc2)s1 ZINC000594881974 567523727 /nfs/dbraw/zinc/52/37/27/567523727.db2.gz FXJIJQDDOVLQQT-UHFFFAOYSA-N 0 0 378.548 3.363 20 30 GGEDRN N#Cc1ccnc(N2CCN(Cc3ncc(Cl)cc3Br)CC2)c1 ZINC000529520766 567523891 /nfs/dbraw/zinc/52/38/91/567523891.db2.gz LGWKSCWHBWKYEW-UHFFFAOYSA-N 0 0 392.688 3.086 20 30 GGEDRN N#Cc1ccc(N2CCN(Cc3ncc(Cl)cc3Br)CC2)nc1 ZINC000529519924 567524014 /nfs/dbraw/zinc/52/40/14/567524014.db2.gz ICUHJKDLFHEHOR-UHFFFAOYSA-N 0 0 392.688 3.086 20 30 GGEDRN CCN1CCCN(c2c(C#N)cnc3c(Br)c(C)ccc32)CC1=O ZINC000479308681 567524107 /nfs/dbraw/zinc/52/41/07/567524107.db2.gz BKEUGTAXNBYYFF-UHFFFAOYSA-N 0 0 387.281 3.236 20 30 GGEDRN C=CC1CCN(C(=O)C(=O)Nc2nc(-c3sc(C)nc3C)cs2)CC1 ZINC000570932637 567524263 /nfs/dbraw/zinc/52/42/63/567524263.db2.gz QKTJDMMHSVTYEO-UHFFFAOYSA-N 0 0 376.507 3.247 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000551626643 567524725 /nfs/dbraw/zinc/52/47/25/567524725.db2.gz QBOGPXQVVGQHPN-KGLIPLIRSA-N 0 0 381.314 3.357 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(Br)cc3)C2=O)cc1 ZINC000504123588 567524825 /nfs/dbraw/zinc/52/48/25/567524825.db2.gz KBFFMJWXRJTLRX-KRWDZBQOSA-N 0 0 398.260 3.246 20 30 GGEDRN N#Cc1ccsc1C(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000458130538 567525030 /nfs/dbraw/zinc/52/50/30/567525030.db2.gz FZVPVWKLNPHKSD-LLVKDONJSA-N 0 0 397.269 3.102 20 30 GGEDRN N#CC1(NC(=O)COc2cc(C(F)(F)F)ccc2Br)CCC1 ZINC000594922315 567525258 /nfs/dbraw/zinc/52/52/58/567525258.db2.gz KHAAZGIAQXJFED-UHFFFAOYSA-N 0 0 377.160 3.409 20 30 GGEDRN CO[C@@H]1CN(c2c(C#N)cnc3c(Br)c(C)ccc32)C[C@@H]1OC ZINC000479325580 567525291 /nfs/dbraw/zinc/52/52/91/567525291.db2.gz VUHNUXPIGDTERK-OKILXGFUSA-N 0 0 376.254 3.027 20 30 GGEDRN N#Cc1cc([N+](=O)[O-])cnc1NCc1cc(Br)ccc1OC(F)F ZINC000504196933 567525521 /nfs/dbraw/zinc/52/55/21/567525521.db2.gz YGJHDJAJTGOBFO-UHFFFAOYSA-N 0 0 399.151 3.259 20 30 GGEDRN N#Cc1csc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)c(Cl)cc2F)c1 ZINC000438317808 567525694 /nfs/dbraw/zinc/52/56/94/567525694.db2.gz DGPRSAZEHWLOBK-UHFFFAOYSA-N 0 0 399.856 3.105 20 30 GGEDRN N#Cc1ccc(C(=O)NC[C@@H](CO)Cc2cc(F)cc(Br)c2)s1 ZINC000458143695 567526144 /nfs/dbraw/zinc/52/61/44/567526144.db2.gz MNANDACRYKYKQY-NSHDSACASA-N 0 0 397.269 3.102 20 30 GGEDRN Cc1cc(=NC(=O)CCC(=O)c2cc(Cl)sc2Cl)[nH]n1CCC#N ZINC000504286510 567528079 /nfs/dbraw/zinc/52/80/79/567528079.db2.gz PHNRIWNHCLXSKA-UHFFFAOYSA-N 0 0 385.276 3.497 20 30 GGEDRN CCCn1c(=O)c(=Cc2ccsc2Cl)sc1=C(C#N)C(=O)[C@H](C)CC ZINC000479366340 567528131 /nfs/dbraw/zinc/52/81/31/567528131.db2.gz LPJFCOPATDWYMA-LLVKDONJSA-N 0 0 394.949 3.153 20 30 GGEDRN N#Cc1cccc(NCC(=O)N[C@H]2CCOc3c(Br)cccc32)c1 ZINC000504331539 567529710 /nfs/dbraw/zinc/52/97/10/567529710.db2.gz IDFRIBGHYJMWHR-INIZCTEOSA-N 0 0 386.249 3.373 20 30 GGEDRN N#Cc1cccc(OCCn2c(=O)onc2-c2cccc(Br)c2)c1 ZINC000504343403 567531046 /nfs/dbraw/zinc/53/10/46/567531046.db2.gz PAWXDHHXAQRCDB-UHFFFAOYSA-N 0 0 386.205 3.216 20 30 GGEDRN CSC[C@@H]1CCCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000551715238 567531122 /nfs/dbraw/zinc/53/11/22/567531122.db2.gz NUIVFLGUUXRZOL-GFCCVEGCSA-N 0 0 379.551 3.457 20 30 GGEDRN N#Cc1ccc(OCC(=O)N2CCC([C@H]3CCCO3)CC2)cc1Br ZINC000571034691 567531278 /nfs/dbraw/zinc/53/12/78/567531278.db2.gz VRNLNAPHBVKFOW-QGZVFWFLSA-N 0 0 393.281 3.117 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCNc1cccc(Br)c1 ZINC000438448421 567531585 /nfs/dbraw/zinc/53/15/85/567531585.db2.gz JZKWYDXPRVMINV-XJKSGUPXSA-N 0 0 382.302 3.141 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CCO)c1ccccc1Br ZINC000438454079 567531667 /nfs/dbraw/zinc/53/16/67/567531667.db2.gz JHXDWTOTHAVPCJ-XYPHTWIQSA-N 0 0 397.313 3.153 20 30 GGEDRN N#Cc1c(Cn2c(=O)onc2-c2cccc(Br)c2)cn2ccccc12 ZINC000504361421 567531792 /nfs/dbraw/zinc/53/17/92/567531792.db2.gz DXYXWJVWPYHUSL-UHFFFAOYSA-N 0 0 395.216 3.438 20 30 GGEDRN N#Cc1ccccc1OCCn1c(=O)onc1-c1cccc(Br)c1 ZINC000504336042 567531798 /nfs/dbraw/zinc/53/17/98/567531798.db2.gz JGGRZRFZVANVET-UHFFFAOYSA-N 0 0 386.205 3.216 20 30 GGEDRN Cc1ccc2c(ncc(C#N)c2N[C@@H](C)CN2CCOCC2)c1Br ZINC000479401288 567532138 /nfs/dbraw/zinc/53/21/38/567532138.db2.gz WGDALMPLOXOGEB-ZDUSSCGKSA-N 0 0 389.297 3.310 20 30 GGEDRN N#Cc1c2c(cnc1N(CCO)Cc1cc(Br)ccc1F)CCC2 ZINC000571076315 567534117 /nfs/dbraw/zinc/53/41/17/567534117.db2.gz PKKILKDADVIMNC-UHFFFAOYSA-N 0 0 390.256 3.342 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000595004970 567534407 /nfs/dbraw/zinc/53/44/07/567534407.db2.gz VIUYYEMMJAOXTA-SECBINFHSA-N 0 0 386.677 3.358 20 30 GGEDRN CC(C)(CCC#N)CNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000595027455 567535755 /nfs/dbraw/zinc/53/57/55/567535755.db2.gz NXJXZGJXIFBGKN-UHFFFAOYSA-N 0 0 388.212 3.112 20 30 GGEDRN COc1ccc([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C2)cc1 ZINC000504488156 567536954 /nfs/dbraw/zinc/53/69/54/567536954.db2.gz KMHXMSZFBBXOGO-OAHLLOKOSA-N 0 0 376.865 3.398 20 30 GGEDRN C=CCN(CCC#N)C(=O)C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000595028866 567537329 /nfs/dbraw/zinc/53/73/29/567537329.db2.gz OVACGFHFSBVAGD-UHFFFAOYSA-N 0 0 384.661 3.278 20 30 GGEDRN C=CCCCS(=O)(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000644162410 567538241 /nfs/dbraw/zinc/53/82/41/567538241.db2.gz KGBXZXHYCAIRAU-UHFFFAOYSA-N 0 0 376.444 3.119 20 30 GGEDRN Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@H](CC#N)C2)c(Br)c1 ZINC000595085739 567539969 /nfs/dbraw/zinc/53/99/69/567539969.db2.gz BANVJCCGIRURTL-ZDUSSCGKSA-N 0 0 378.270 3.157 20 30 GGEDRN N#CC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000595085992 567540720 /nfs/dbraw/zinc/54/07/20/567540720.db2.gz XLJZKLRPFKUTCX-SNVBAGLBSA-N 0 0 384.661 3.193 20 30 GGEDRN N#CC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000595086086 567541599 /nfs/dbraw/zinc/54/15/99/567541599.db2.gz YRNFFIDUZGOURH-SNVBAGLBSA-N 0 0 384.661 3.193 20 30 GGEDRN Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@@H](CC#N)C1 ZINC000595089112 567541733 /nfs/dbraw/zinc/54/17/33/567541733.db2.gz YLQUFYBORODGIR-ZDUSSCGKSA-N 0 0 378.270 3.157 20 30 GGEDRN N#CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000595086686 567541792 /nfs/dbraw/zinc/54/17/92/567541792.db2.gz NZIFCPGDSOWALD-SNVBAGLBSA-N 0 0 384.661 3.193 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000595117083 567542856 /nfs/dbraw/zinc/54/28/56/567542856.db2.gz AOQAEAKBUSMUAD-UHFFFAOYSA-N 0 0 391.718 3.467 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000595116435 567542884 /nfs/dbraw/zinc/54/28/84/567542884.db2.gz VRLNGXFKSGATPN-UHFFFAOYSA-N 0 0 398.941 3.166 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC000595116515 567542933 /nfs/dbraw/zinc/54/29/33/567542933.db2.gz ZRLNVAVIVSDVMB-UHFFFAOYSA-N 0 0 389.290 3.261 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000595117834 567543006 /nfs/dbraw/zinc/54/30/06/567543006.db2.gz XMTMIWVFLGMGCY-UHFFFAOYSA-N 0 0 375.519 3.098 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000595117845 567543169 /nfs/dbraw/zinc/54/31/69/567543169.db2.gz YCOPPUDIAGRGGT-UHFFFAOYSA-N 0 0 391.718 3.467 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000595115916 567543337 /nfs/dbraw/zinc/54/33/37/567543337.db2.gz HFGSAWMVGWWUOR-CYBMUJFWSA-N 0 0 394.846 3.485 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)Nc1ccc(Br)c(F)c1C ZINC000595116227 567543408 /nfs/dbraw/zinc/54/34/08/567543408.db2.gz NYKNDBWUJQQJSZ-UHFFFAOYSA-N 0 0 389.290 3.261 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)Nc1nc(-c2cc(C)oc2C)cs1 ZINC000595115984 567543431 /nfs/dbraw/zinc/54/34/31/567543431.db2.gz JDWBFMHTBUZJHF-UHFFFAOYSA-N 0 0 379.507 3.384 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000595117136 567543508 /nfs/dbraw/zinc/54/35/08/567543508.db2.gz DCPAOIMEHMEPTK-UHFFFAOYSA-N 0 0 391.718 3.467 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000595117340 567543542 /nfs/dbraw/zinc/54/35/42/567543542.db2.gz IUSMPKJGGNLQEI-UHFFFAOYSA-N 0 0 393.253 3.091 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000595116391 567543547 /nfs/dbraw/zinc/54/35/47/567543547.db2.gz RZXPTWOPNGOBHE-UHFFFAOYSA-N 0 0 378.828 3.305 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000595117600 567543561 /nfs/dbraw/zinc/54/35/61/567543561.db2.gz QIIYDKBZHRMGTF-UHFFFAOYSA-N 0 0 389.290 3.261 20 30 GGEDRN C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000595133185 567544178 /nfs/dbraw/zinc/54/41/78/567544178.db2.gz WXWNAVZYGACCJE-CRAIPNDOSA-N 0 0 380.275 3.419 20 30 GGEDRN C=CCCSCCNC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000595123685 567544262 /nfs/dbraw/zinc/54/42/62/567544262.db2.gz LWFWVHFSQNVRGE-UHFFFAOYSA-N 0 0 375.321 3.377 20 30 GGEDRN C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000595133187 567544792 /nfs/dbraw/zinc/54/47/92/567544792.db2.gz WXWNAVZYGACCJE-QAPCUYQASA-N 0 0 380.275 3.419 20 30 GGEDRN C=CC[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000595125014 567544927 /nfs/dbraw/zinc/54/49/27/567544927.db2.gz WKVLDZUSSKQLDE-NSHDSACASA-N 0 0 396.241 3.111 20 30 GGEDRN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595152370 567545612 /nfs/dbraw/zinc/54/56/12/567545612.db2.gz RRCNUGUIANECKQ-SFHVURJKSA-N 0 0 382.291 3.493 20 30 GGEDRN COc1cc(C(=O)Nc2nc(C)c(SCC#N)s2)cc2c1OCCO2 ZINC000504717137 567545675 /nfs/dbraw/zinc/54/56/75/567545675.db2.gz QPSQEAGQLQGBGL-UHFFFAOYSA-N 0 0 377.447 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GGEDRN Cc1ccc(C#N)cc1NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000572417268 567638567 /nfs/dbraw/zinc/63/85/67/567638567.db2.gz CZRIXHPGKODUST-UHFFFAOYSA-N 0 0 398.271 3.091 20 30 GGEDRN Cc1nsc(NC(=O)N(CCO)Cc2cccc(Br)c2)c1C#N ZINC000459573408 567639052 /nfs/dbraw/zinc/63/90/52/567639052.db2.gz WBYSPGMKMQVXJZ-UHFFFAOYSA-N 0 0 395.282 3.112 20 30 GGEDRN N#Cc1ccnc(N2CCN(CCOc3ccccc3Cl)CC2)c1Cl ZINC000553251921 567639322 /nfs/dbraw/zinc/63/93/22/567639322.db2.gz PUFIHNDNABTICH-UHFFFAOYSA-N 0 0 377.275 3.461 20 30 GGEDRN CN(CC(C)(C)C#N)C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000596559889 567639864 /nfs/dbraw/zinc/63/98/64/567639864.db2.gz RAIPOOYDGRWJAE-UHFFFAOYSA-N 0 0 377.750 3.185 20 30 GGEDRN C=CC[C@H](CO)CNC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000553268480 567640613 /nfs/dbraw/zinc/64/06/13/567640613.db2.gz NHPVVPTWFSYTDS-ZDUSSCGKSA-N 0 0 382.302 3.355 20 30 GGEDRN CC(C)(CC#N)CNC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000459600370 567641182 /nfs/dbraw/zinc/64/11/82/567641182.db2.gz AENGTTUTFJXUAL-UHFFFAOYSA-N 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CC1(c2cccc(Cl)c2)CCN(S(=O)(=O)c2cccnc2C#N)CC1 ZINC000481504078 567683974 /nfs/dbraw/zinc/68/39/74/567683974.db2.gz DFXMMCZTALUWLV-UHFFFAOYSA-N 0 0 375.881 3.349 20 30 GGEDRN CS(=O)(=O)CCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000460332323 567684285 /nfs/dbraw/zinc/68/42/85/567684285.db2.gz SQKXFAYEXRVGFF-UHFFFAOYSA-N 0 0 376.865 3.180 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CCOc2c(Br)cccc21 ZINC000442212966 567685076 /nfs/dbraw/zinc/68/50/76/567685076.db2.gz JKRADTROYXHDQN-UHFFFAOYSA-N 0 0 393.262 3.217 20 30 GGEDRN COCCN(C(=O)COc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000460355459 567685164 /nfs/dbraw/zinc/68/51/64/567685164.db2.gz XCJFHBMCYQZKLZ-UHFFFAOYSA-N 0 0 389.249 3.379 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)N1CCOc2c(Br)cccc21 ZINC000442215954 567685311 /nfs/dbraw/zinc/68/53/11/567685311.db2.gz FSPFMKIRUMINRC-UHFFFAOYSA-N 0 0 397.225 3.048 20 30 GGEDRN CC(C)(C)n1cc(Br)c(C(=O)NCc2ccc(C#N)cc2F)n1 ZINC000597160995 567685488 /nfs/dbraw/zinc/68/54/88/567685488.db2.gz NRQXOCREAHYVMS-UHFFFAOYSA-N 0 0 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ZINC000623234154 567694065 /nfs/dbraw/zinc/69/40/65/567694065.db2.gz ZQNXSGSFCXCPEJ-UHFFFAOYSA-N 0 0 378.270 3.304 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCCc2nc3cc(Cl)ccc3s2)cc1 ZINC000532043789 567694353 /nfs/dbraw/zinc/69/43/53/567694353.db2.gz IRGBTIFGMCHPTD-UHFFFAOYSA-N 0 0 377.878 3.342 20 30 GGEDRN CCN([C@@H](C)C(F)(F)F)S(=O)(=O)c1cccc(Br)c1C#N ZINC000553874272 567694546 /nfs/dbraw/zinc/69/45/46/567694546.db2.gz DNPVWHMNGVSCTQ-QMMMGPOBSA-N 0 0 385.205 3.282 20 30 GGEDRN CC[C@@H](CSC)N(C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000553871482 567694618 /nfs/dbraw/zinc/69/46/18/567694618.db2.gz MLLZFQIWRBABPC-JTQLQIEISA-N 0 0 377.329 3.083 20 30 GGEDRN N#Cc1c(Br)cccc1S(=O)(=O)NCC1CCC(F)(F)CC1 ZINC000553877753 567694796 /nfs/dbraw/zinc/69/47/96/567694796.db2.gz ZSNUYNKOHXAVGH-UHFFFAOYSA-N 0 0 393.253 3.425 20 30 GGEDRN Cc1nc(CN2CCN(Cc3ccc(Br)cc3C#N)CC2)cs1 ZINC000553873445 567694846 /nfs/dbraw/zinc/69/48/46/567694846.db2.gz FTQMZMHDBCNEGA-UHFFFAOYSA-N 0 0 391.338 3.404 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)NCCc2nc3cc(Cl)ccc3s2)c1 ZINC000532043856 567695071 /nfs/dbraw/zinc/69/50/71/567695071.db2.gz TVLBYAJQVRTYHM-UHFFFAOYSA-N 0 0 377.878 3.342 20 30 GGEDRN CC[C@H](CSC)N(C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000553871488 567695116 /nfs/dbraw/zinc/69/51/16/567695116.db2.gz MLLZFQIWRBABPC-SNVBAGLBSA-N 0 0 377.329 3.083 20 30 GGEDRN CC1CC(C#N)(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000532072735 567695877 /nfs/dbraw/zinc/69/58/77/567695877.db2.gz KNPYBHKZXGFKCU-UHFFFAOYSA-N 0 0 376.144 3.448 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)Nc1cn(C)cc(Br)c1=O ZINC000666694033 567696283 /nfs/dbraw/zinc/69/62/83/567696283.db2.gz FBIOBUHOPXYTHO-UHFFFAOYSA-N 0 0 380.242 3.003 20 30 GGEDRN N#Cc1cc(Br)ccc1CN1CCN(c2cncc(F)c2)CC1 ZINC000553887289 567696344 /nfs/dbraw/zinc/69/63/44/567696344.db2.gz UFHLZOTWMDOVSR-UHFFFAOYSA-N 0 0 375.245 3.177 20 30 GGEDRN COc1ccc(Br)c(CNC(=O)Cc2c(F)cccc2C#N)c1 ZINC000507685185 567697184 /nfs/dbraw/zinc/69/71/84/567697184.db2.gz BLQVRFISVLXOES-UHFFFAOYSA-N 0 0 377.213 3.327 20 30 GGEDRN N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000553894858 567697556 /nfs/dbraw/zinc/69/75/56/567697556.db2.gz GXUFQCPIIDCDGQ-SECBINFHSA-N 0 0 379.226 3.034 20 30 GGEDRN CCN(c1ccc(C#N)c(Cl)c1)S(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000442598868 567697703 /nfs/dbraw/zinc/69/77/03/567697703.db2.gz AZKVXDSPLJOTRT-UHFFFAOYSA-N 0 0 380.853 3.444 20 30 GGEDRN CN(Cc1ccc(F)cc1Br)C(=O)COc1ccccc1C#N ZINC000481707143 567697616 /nfs/dbraw/zinc/69/76/16/567697616.db2.gz MZBRTBLSSZIRTN-UHFFFAOYSA-N 0 0 377.213 3.497 20 30 GGEDRN Cc1nc(SCC(=O)NCc2nnc(C(C)C)s2)c(C#N)c(C)c1C ZINC000532086334 567697704 /nfs/dbraw/zinc/69/77/04/567697704.db2.gz MHRLUPRTAPZTOS-UHFFFAOYSA-N 0 0 375.523 3.262 20 30 GGEDRN C[C@@H](Cc1ccsc1)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000573233609 567697789 /nfs/dbraw/zinc/69/77/89/567697789.db2.gz KVXXQBHWWKRUQL-JTQLQIEISA-N 0 0 392.278 3.068 20 30 GGEDRN C=CCN(CCC#N)S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000573242958 567697813 /nfs/dbraw/zinc/69/78/13/567697813.db2.gz OTEQEHDLWAUJMD-UHFFFAOYSA-N 0 0 377.691 3.334 20 30 GGEDRN N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2CC2)CCO1 ZINC000597418207 567698113 /nfs/dbraw/zinc/69/81/13/567698113.db2.gz GOWWBHUCOCAVFL-CYBMUJFWSA-N 0 0 378.263 3.391 20 30 GGEDRN CCOCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CC#N ZINC000460715539 567698284 /nfs/dbraw/zinc/69/82/84/567698284.db2.gz RRRUQTILTURGQZ-LBPRGKRZSA-N 0 0 395.305 3.201 20 30 GGEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1CC1 ZINC000597418953 567698396 /nfs/dbraw/zinc/69/83/96/567698396.db2.gz ANUYVWAXQXQIKP-NSHDSACASA-N 0 0 377.290 3.194 20 30 GGEDRN CCN(c1ccc(C#N)c(Cl)c1)S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000442624687 567698737 /nfs/dbraw/zinc/69/87/37/567698737.db2.gz VBEIPERMYLNKSZ-UHFFFAOYSA-N 0 0 384.866 3.275 20 30 GGEDRN C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC1CC1 ZINC000597420160 567698945 /nfs/dbraw/zinc/69/89/45/567698945.db2.gz LIONMTHFFGMTSU-LLVKDONJSA-N 0 0 377.290 3.052 20 30 GGEDRN Cn1cc(C#N)cc1-c1nc(-c2ccccc2I)no1 ZINC000460735311 567700080 /nfs/dbraw/zinc/70/00/80/567700080.db2.gz VLXZEYXROFTCIM-UHFFFAOYSA-N 0 0 376.157 3.218 20 30 GGEDRN CC(C)CC1(CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000573271118 567700839 /nfs/dbraw/zinc/70/08/39/567700839.db2.gz YMQSGTQLQFCLQN-UHFFFAOYSA-N 0 0 378.270 3.202 20 30 GGEDRN COc1ccc(Br)cc1CNc1nn(-c2ccc(C#N)cn2)cc1C ZINC000460757815 567700826 /nfs/dbraw/zinc/70/08/26/567700826.db2.gz KAUXRMQVSVARQJ-UHFFFAOYSA-N 0 0 398.264 3.253 20 30 GGEDRN COc1ccc(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)c(C)c1 ZINC000573278692 567700914 /nfs/dbraw/zinc/70/09/14/567700914.db2.gz PUDWMZHGNLCAHF-UHFFFAOYSA-N 0 0 395.278 3.116 20 30 GGEDRN CC#CC[C@@H](CO)NC(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000646238110 567700974 /nfs/dbraw/zinc/70/09/74/567700974.db2.gz PPKASNDNCISKIG-JTQLQIEISA-N 0 0 379.176 3.364 20 30 GGEDRN N#Cc1cc(Br)cn(Cc2ccc(OCC(F)(F)F)cc2)c1=O ZINC000573290703 567701867 /nfs/dbraw/zinc/70/18/67/567701867.db2.gz KJCDWFOLEIEJNN-UHFFFAOYSA-N 0 0 387.155 3.472 20 30 GGEDRN N#CCCCNC(=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 ZINC000597493866 567701918 /nfs/dbraw/zinc/70/19/18/567701918.db2.gz GGNUSGIFXVRDQY-JTQLQIEISA-N 0 0 384.221 3.124 20 30 GGEDRN Cc1cccc(I)c1C(=O)Nc1cc(CC#N)ccn1 ZINC000532180952 567703175 /nfs/dbraw/zinc/70/31/75/567703175.db2.gz ITCXRSHQGFXHOD-UHFFFAOYSA-N 0 0 377.185 3.313 20 30 GGEDRN N#CCc1ccnc(NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)c1 ZINC000532181038 567703431 /nfs/dbraw/zinc/70/34/31/567703431.db2.gz LNOQAJDZAGOJAV-UHFFFAOYSA-N 0 0 383.205 3.416 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)Cn1nnc2c1CCCC2 ZINC000573338051 567706452 /nfs/dbraw/zinc/70/64/52/567706452.db2.gz BOVWXTOUMXTODF-UHFFFAOYSA-N 0 0 391.269 3.123 20 30 GGEDRN CN(Cc1ccc(Br)cc1C#N)S(=O)(=O)c1ccc(C#N)cc1 ZINC000573358647 567706983 /nfs/dbraw/zinc/70/69/83/567706983.db2.gz MKRLYTYAAZWIGJ-UHFFFAOYSA-N 0 0 390.262 3.013 20 30 GGEDRN COc1cc(Br)ccc1[C@@H](C)NS(=O)(=O)CCC(C)(C)C#N ZINC000573368259 567708308 /nfs/dbraw/zinc/70/83/08/567708308.db2.gz ZJYOMXJALKWHFC-LLVKDONJSA-N 0 0 389.315 3.378 20 30 GGEDRN N#CC1CCC(CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000597617247 567708931 /nfs/dbraw/zinc/70/89/31/567708931.db2.gz ONGNDNGIHQCOQT-UHFFFAOYSA-N 0 0 377.242 3.091 20 30 GGEDRN CC(C)[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)C1(CO)CCC1 ZINC000573384685 567709483 /nfs/dbraw/zinc/70/94/83/567709483.db2.gz DCMPHYSVOONYMR-QGZVFWFLSA-N 0 0 395.297 3.003 20 30 GGEDRN CCOC(=O)[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(OC)c(Br)c1 ZINC000442838134 567710723 /nfs/dbraw/zinc/71/07/23/567710723.db2.gz RQKQDGOFRWQKRZ-PVXIVEMSSA-N 0 0 381.270 3.344 20 30 GGEDRN C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCO1)C1CC1 ZINC000460927677 567710912 /nfs/dbraw/zinc/71/09/12/567710912.db2.gz SNHKWSSJLJNQQE-AWEZNQCLSA-N 0 0 392.301 3.370 20 30 GGEDRN C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccon1 ZINC000460928019 567711243 /nfs/dbraw/zinc/71/12/43/567711243.db2.gz OIPTXPFLPFWKGX-UHFFFAOYSA-N 0 0 391.273 3.247 20 30 GGEDRN N#C[C@@]1(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)CC12CCCC2 ZINC000597680758 567711397 /nfs/dbraw/zinc/71/13/97/567711397.db2.gz QSMCQERUHKWJBC-KBXCAEBGSA-N 0 0 390.281 3.298 20 30 GGEDRN N#C[C@]1(C(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)CC12CCCC2 ZINC000597680759 567711406 /nfs/dbraw/zinc/71/14/06/567711406.db2.gz QSMCQERUHKWJBC-KDOFPFPSSA-N 0 0 390.281 3.298 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(CC)CCCO ZINC000460947245 567712198 /nfs/dbraw/zinc/71/21/98/567712198.db2.gz FTVHBMZLDKEBHF-UHFFFAOYSA-N 0 0 379.302 3.492 20 30 GGEDRN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Cc1cc[nH]c(=O)c1Br ZINC000573427875 567713199 /nfs/dbraw/zinc/71/31/99/567713199.db2.gz NFZZKDPPEJYOGF-HNNXBMFYSA-N 0 0 386.249 3.158 20 30 GGEDRN CC#CC[C@@H](CO)NC(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000646375783 567713260 /nfs/dbraw/zinc/71/32/60/567713260.db2.gz YGLDLJQOFGEESO-JTQLQIEISA-N 0 0 395.175 3.244 20 30 GGEDRN N#CCC1(CS(=O)(=O)N[C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000573436511 567713668 /nfs/dbraw/zinc/71/36/68/567713668.db2.gz CPKNYMQFEFNQRP-GFCCVEGCSA-N 0 0 387.324 3.209 20 30 GGEDRN CC[C@@H](C)Oc1cc(CNS(=O)(=O)c2ccc(Cl)cc2C#N)ccn1 ZINC000554163406 567713886 /nfs/dbraw/zinc/71/38/86/567713886.db2.gz PCSVZMKBEVDAHW-GFCCVEGCSA-N 0 0 379.869 3.262 20 30 GGEDRN CC#CC[C@H](CO)NC(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000646392470 567714529 /nfs/dbraw/zinc/71/45/29/567714529.db2.gz PLVYAGGAQAOULG-SNVBAGLBSA-N 0 0 379.176 3.364 20 30 GGEDRN CNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000507917355 567715725 /nfs/dbraw/zinc/71/57/25/567715725.db2.gz JOCDNVIUAZUSDJ-UHFFFAOYSA-N 0 0 378.841 3.013 20 30 GGEDRN COc1ccc(Br)cc1CN(C)C(=O)c1ccc(C#N)c(O)c1 ZINC000442898904 567715830 /nfs/dbraw/zinc/71/58/30/567715830.db2.gz PIXPYTMGASSXND-UHFFFAOYSA-N 0 0 375.222 3.307 20 30 GGEDRN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2Cc2ccc(Br)cc2C#N)O1 ZINC000554260044 567717762 /nfs/dbraw/zinc/71/77/62/567717762.db2.gz PMVKFUCTZXXPBK-FKSAFCJBSA-N 0 0 393.281 3.004 20 30 GGEDRN N#Cc1cc(Br)ccc1CN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000554236596 567717789 /nfs/dbraw/zinc/71/77/89/567717789.db2.gz HQZHZRCKQGSRMX-QGZVFWFLSA-N 0 0 388.265 3.195 20 30 GGEDRN CN(CC(=O)NCc1cccs1)Cc1ccc(Br)cc1C#N ZINC000554237918 567718065 /nfs/dbraw/zinc/71/80/65/567718065.db2.gz RGHJMTJLPZAKLE-UHFFFAOYSA-N 0 0 378.295 3.130 20 30 GGEDRN N#Cc1cc(Br)ccc1CN1CCC[C@H]1C(=O)NCc1ccco1 ZINC000554236595 567718073 /nfs/dbraw/zinc/71/80/73/567718073.db2.gz HQZHZRCKQGSRMX-KRWDZBQOSA-N 0 0 388.265 3.195 20 30 GGEDRN C=CCCS(=O)(=O)Nc1cc(O)c(Br)cc1Br ZINC000507964356 567720033 /nfs/dbraw/zinc/72/00/33/567720033.db2.gz GYTZWBWYNYJNLS-UHFFFAOYSA-N 0 0 385.077 3.235 20 30 GGEDRN C=CCOc1c(Br)cc(CN(CC)[C@H]2CCNC2=O)cc1OCC ZINC000442960497 567720215 /nfs/dbraw/zinc/72/02/15/567720215.db2.gz BLZRBZVETLYWMM-HNNXBMFYSA-N 0 0 397.313 3.123 20 30 GGEDRN CNc1ccc(C#N)cc1NS(=O)(=O)c1cccc(Br)c1C ZINC000507986573 567721133 /nfs/dbraw/zinc/72/11/33/567721133.db2.gz PMHPZLSGIOVOKC-UHFFFAOYSA-N 0 0 380.267 3.472 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NS(=O)(=O)CCc2ccccc2Br)C1 ZINC000461114085 567721135 /nfs/dbraw/zinc/72/11/35/567721135.db2.gz RIMFNOKWZBHJEQ-CJNGLKHVSA-N 0 0 385.327 3.383 20 30 GGEDRN C[C@@H]1CCC[C@@](C#N)(NS(=O)(=O)CCc2ccccc2Br)C1 ZINC000461114103 567721234 /nfs/dbraw/zinc/72/12/34/567721234.db2.gz RIMFNOKWZBHJEQ-CZUORRHYSA-N 0 0 385.327 3.383 20 30 GGEDRN O=C(NCc1cc(F)c(C(F)(F)F)cc1F)N[C@H](CO)CC(F)(F)F ZINC000554343144 567722708 /nfs/dbraw/zinc/72/27/08/567722708.db2.gz LQMNJFGDHGBZIM-ZETCQYMHSA-N 0 0 380.235 3.096 20 30 GGEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000573563399 567723392 /nfs/dbraw/zinc/72/33/92/567723392.db2.gz AYTWSPIBZYYIQH-KGLIPLIRSA-N 0 0 377.238 3.166 20 30 GGEDRN CNc1cc(I)ccc1C(=O)N1CCC[C@@H](CC#N)C1 ZINC000597901583 567723370 /nfs/dbraw/zinc/72/33/70/567723370.db2.gz LHUHKXZGIUQZMO-NSHDSACASA-N 0 0 383.233 3.099 20 30 GGEDRN Cc1sc(NC(=O)CN2CCC[C@H](OCC(F)(F)F)C2)c(C#N)c1C ZINC000532578319 567723646 /nfs/dbraw/zinc/72/36/46/567723646.db2.gz NRZNWSYOFPRLRO-LBPRGKRZSA-N 0 0 375.416 3.218 20 30 GGEDRN CNc1cc(I)ccc1C(=O)N1CCC[C@H](CC#N)C1 ZINC000597901568 567723672 /nfs/dbraw/zinc/72/36/72/567723672.db2.gz LHUHKXZGIUQZMO-LLVKDONJSA-N 0 0 383.233 3.099 20 30 GGEDRN N#CC[C@H]1CCCN(C(=O)CCOc2cccc(I)c2)C1 ZINC000597904197 567724270 /nfs/dbraw/zinc/72/42/70/567724270.db2.gz PPSXQCLSILDBHF-CYBMUJFWSA-N 0 0 398.244 3.212 20 30 GGEDRN C[C@H](Oc1ccc(I)cc1)C(=O)N1CCC[C@H](CC#N)C1 ZINC000597905058 567724295 /nfs/dbraw/zinc/72/42/95/567724295.db2.gz WXRJJSBOZONZSM-QWHCGFSZSA-N 0 0 398.244 3.211 20 30 GGEDRN N#CC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000597910986 567724310 /nfs/dbraw/zinc/72/43/10/567724310.db2.gz DTZZZBARYDYGJF-STQMWFEESA-N 0 0 380.275 3.499 20 30 GGEDRN N#CC[C@@H]1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000597918503 567724601 /nfs/dbraw/zinc/72/46/01/567724601.db2.gz PRHOHEFXURRKCY-LBPRGKRZSA-N 0 0 375.881 3.437 20 30 GGEDRN COc1ccc(C(=O)N2CCC[C@@H](CC#N)C2)c(I)c1 ZINC000597908130 567724834 /nfs/dbraw/zinc/72/48/34/567724834.db2.gz MXFKIYCLZKOHLW-NSHDSACASA-N 0 0 384.217 3.066 20 30 GGEDRN N#CC[C@@H]1CCCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000597913289 567724906 /nfs/dbraw/zinc/72/49/06/567724906.db2.gz KHNCKEVKAYTWEE-ZDUSSCGKSA-N 0 0 393.285 3.113 20 30 GGEDRN CCn1c(SCC(=O)N2CCC[C@H](CC#N)C2)nnc1-c1cccs1 ZINC000597917607 567725045 /nfs/dbraw/zinc/72/50/45/567725045.db2.gz DAEYLXBQTJABRC-CYBMUJFWSA-N 0 0 375.523 3.271 20 30 GGEDRN N#CC[C@@H]1CCCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)C1 ZINC000597914509 567725088 /nfs/dbraw/zinc/72/50/88/567725088.db2.gz GPZJEOMSNKKKRC-ZDUSSCGKSA-N 0 0 375.885 3.165 20 30 GGEDRN CSC[C@@](C)(C#N)NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000508073991 567725239 /nfs/dbraw/zinc/72/52/39/567725239.db2.gz MXTNBJVAUZNEOF-LLVKDONJSA-N 0 0 383.720 3.026 20 30 GGEDRN CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(C#N)c(Br)c2)[C@@]12CCCO2 ZINC000554393223 567725265 /nfs/dbraw/zinc/72/52/65/567725265.db2.gz XSACXMBMIVVNQU-INMHGKMJSA-N 0 0 394.269 3.169 20 30 GGEDRN N#Cc1cccc(CNC(=O)CS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000554383311 567725331 /nfs/dbraw/zinc/72/53/31/567725331.db2.gz QXCBXPIZHMIOQW-UHFFFAOYSA-N 0 0 397.283 3.096 20 30 GGEDRN CSCC[C@](C)(C#N)NS(=O)(=O)c1sc(C)cc1Br ZINC000508071477 567725353 /nfs/dbraw/zinc/72/53/53/567725353.db2.gz YHFHIKKAVRITGD-LLVKDONJSA-N 0 0 383.358 3.133 20 30 GGEDRN N#Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1Br ZINC000508071786 567725687 /nfs/dbraw/zinc/72/56/87/567725687.db2.gz BTYWPTXCCBRZIY-UHFFFAOYSA-N 0 0 379.235 3.056 20 30 GGEDRN CSCC[C@@](C)(C#N)NS(=O)(=O)c1sc(C)cc1Br ZINC000508071478 567725708 /nfs/dbraw/zinc/72/57/08/567725708.db2.gz YHFHIKKAVRITGD-NSHDSACASA-N 0 0 383.358 3.133 20 30 GGEDRN CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(C#N)c(Br)c2)[C@]12CCCO2 ZINC000554393225 567725679 /nfs/dbraw/zinc/72/56/79/567725679.db2.gz XSACXMBMIVVNQU-ZMSDIMECSA-N 0 0 394.269 3.169 20 30 GGEDRN COc1ccc(Br)c(CNS(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000443036310 567725816 /nfs/dbraw/zinc/72/58/16/567725816.db2.gz XEWZGGTUPLECMP-UHFFFAOYSA-N 0 0 395.278 3.116 20 30 GGEDRN COc1ccccc1C1(CNS(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000443036061 567725923 /nfs/dbraw/zinc/72/59/23/567725923.db2.gz ILXLTWNTRBOBLL-UHFFFAOYSA-N 0 0 376.865 3.230 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N(C)c1ccc(C)cc1Br ZINC000461229404 567726334 /nfs/dbraw/zinc/72/63/34/567726334.db2.gz ZKDBLHGBSXDNOK-UHFFFAOYSA-N 0 0 395.278 3.463 20 30 GGEDRN N#Cc1ccnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1Cl ZINC000573632876 567726510 /nfs/dbraw/zinc/72/65/10/567726510.db2.gz QKNWATDTWYUSDD-UHFFFAOYSA-N 0 0 379.222 3.362 20 30 GGEDRN C=CC[C@@H](CO)CNC(=O)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC000646541157 567726698 /nfs/dbraw/zinc/72/66/98/567726698.db2.gz ZVHOMHUWZVYRCB-SNVBAGLBSA-N 0 0 397.298 3.274 20 30 GGEDRN CSCC[C@](C)(C#N)NS(=O)(=O)c1cc(C)ccc1Br ZINC000508082054 567726798 /nfs/dbraw/zinc/72/67/98/567726798.db2.gz FVBRBMMOQFNUEJ-CYBMUJFWSA-N 0 0 377.329 3.071 20 30 GGEDRN CSC[C@@](C)(C#N)NS(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000508074304 567726824 /nfs/dbraw/zinc/72/68/24/567726824.db2.gz OSXBZPRIMKOBTQ-MRXNPFEDSA-N 0 0 388.942 3.442 20 30 GGEDRN N#Cc1sccc1N1CCN(C(=O)COc2ccc(F)c(Cl)c2)CC1 ZINC000597932179 567727036 /nfs/dbraw/zinc/72/70/36/567727036.db2.gz CPFZZNSJVGOVCH-UHFFFAOYSA-N 0 0 379.844 3.140 20 30 GGEDRN N#Cc1sccc1N1CCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000597940949 567727106 /nfs/dbraw/zinc/72/71/06/567727106.db2.gz WXXAZGZOWPLORD-UHFFFAOYSA-N 0 0 394.269 3.484 20 30 GGEDRN N#Cc1sccc1N1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000597933348 567727279 /nfs/dbraw/zinc/72/72/79/567727279.db2.gz MSRYQWUJWDAMNO-UHFFFAOYSA-N 0 0 394.269 3.484 20 30 GGEDRN N#Cc1sccc1N1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000597934103 567727411 /nfs/dbraw/zinc/72/74/11/567727411.db2.gz KSPKRCFMVVQSCW-UHFFFAOYSA-N 0 0 382.308 3.406 20 30 GGEDRN N#Cc1sccc1N1CCN(C(=O)c2ccc(Br)s2)CC1 ZINC000597934674 567727649 /nfs/dbraw/zinc/72/76/49/567727649.db2.gz LVCBKIPVGUMBPM-UHFFFAOYSA-N 0 0 382.308 3.406 20 30 GGEDRN Cc1cc(Br)oc1C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000597935650 567727664 /nfs/dbraw/zinc/72/76/64/567727664.db2.gz YZPSRFAAEWOFJB-UHFFFAOYSA-N 0 0 380.267 3.246 20 30 GGEDRN CN(CC(=O)N(C)c1ccccc1C#N)C(=O)c1ccc(Br)s1 ZINC000508086841 567727689 /nfs/dbraw/zinc/72/76/89/567727689.db2.gz JYQHAIYNPFIYAX-UHFFFAOYSA-N 0 0 392.278 3.117 20 30 GGEDRN CCOc1ncc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc1Cl ZINC000597937334 567727728 /nfs/dbraw/zinc/72/77/28/567727728.db2.gz MXTAWNOHDUSLRP-UHFFFAOYSA-N 0 0 376.869 3.029 20 30 GGEDRN CCN(CC)[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccco1 ZINC000443041757 567727869 /nfs/dbraw/zinc/72/78/69/567727869.db2.gz XZNFJRNHICBOKF-OAHLLOKOSA-N 0 0 381.885 3.166 20 30 GGEDRN C=CCN(C(=O)c1cc(I)ccc1F)[C@H](C)COC ZINC000597951844 567728631 /nfs/dbraw/zinc/72/86/31/567728631.db2.gz LLIQDYOGCJKIAF-SNVBAGLBSA-N 0 0 377.197 3.093 20 30 GGEDRN C=CCN(C(=O)c1ccc(I)cc1F)[C@H](C)COC ZINC000597954226 567728684 /nfs/dbraw/zinc/72/86/84/567728684.db2.gz GOGBVYOXEPEZJA-SNVBAGLBSA-N 0 0 377.197 3.093 20 30 GGEDRN COc1cc(Cl)c(F)c(C(=O)N2CCN(c3ccsc3C#N)CC2)c1 ZINC000597945169 567728965 /nfs/dbraw/zinc/72/89/65/567728965.db2.gz XTFOOPJXFULJAP-UHFFFAOYSA-N 0 0 379.844 3.383 20 30 GGEDRN N#Cc1ccccc1S(=O)(=O)N[C@H]1CCc2c1cccc2Br ZINC000443076822 567729022 /nfs/dbraw/zinc/72/90/22/567729022.db2.gz DCHRKUZGFMLJNZ-HNNXBMFYSA-N 0 0 377.263 3.287 20 30 GGEDRN C=CCN(C(=O)c1scc(C)c1I)[C@@H](C)COC ZINC000597954975 567729102 /nfs/dbraw/zinc/72/91/02/567729102.db2.gz PMJQGKSKSRMVOB-JTQLQIEISA-N 0 0 379.263 3.324 20 30 GGEDRN COc1ccc(C(=O)N(C)c2ccccc2C#N)cc1I ZINC000508094287 567729149 /nfs/dbraw/zinc/72/91/49/567729149.db2.gz GZLDZTLDUKRZSW-UHFFFAOYSA-N 0 0 392.196 3.448 20 30 GGEDRN CSCC[C@](C)(C#N)NS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000508101343 567729383 /nfs/dbraw/zinc/72/93/83/567729383.db2.gz ISNHNMJHDVVCMX-CYBMUJFWSA-N 0 0 377.329 3.071 20 30 GGEDRN C=CCCSCCNC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000597972022 567729755 /nfs/dbraw/zinc/72/97/55/567729755.db2.gz OAKADWRDWTZKFT-UHFFFAOYSA-N 0 0 395.326 3.377 20 30 GGEDRN C=CCCSCCNC(=O)Cc1ccccc1I ZINC000597968864 567729790 /nfs/dbraw/zinc/72/97/90/567729790.db2.gz OANIVNYVFOLPNK-UHFFFAOYSA-N 0 0 375.275 3.259 20 30 GGEDRN C=CCCSCCNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000597974166 567730007 /nfs/dbraw/zinc/73/00/07/567730007.db2.gz CCBABEIBIOYQNB-UHFFFAOYSA-N 0 0 381.548 3.425 20 30 GGEDRN C=CCCSCCNC(=O)Cc1cccc(I)c1 ZINC000597967675 567730153 /nfs/dbraw/zinc/73/01/53/567730153.db2.gz DLTGDHMJWVBIIH-UHFFFAOYSA-N 0 0 375.275 3.259 20 30 GGEDRN C=CCCSCCNC(=O)c1ccc(OC)cc1I ZINC000597968196 567730448 /nfs/dbraw/zinc/73/04/48/567730448.db2.gz OTDSXWWSFVKABO-UHFFFAOYSA-N 0 0 391.274 3.339 20 30 GGEDRN C=CCCSCCNC(=O)c1ccc(OC)c(I)c1 ZINC000597969301 567730618 /nfs/dbraw/zinc/73/06/18/567730618.db2.gz WMOOGBLIRFOMNC-UHFFFAOYSA-N 0 0 391.274 3.339 20 30 GGEDRN C[C@@H]1[C@H](C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1(F)F ZINC000461343341 567730821 /nfs/dbraw/zinc/73/08/21/567730821.db2.gz WBFUNQSFBFWYTO-BYCMXARLSA-N 0 0 398.251 3.059 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)NCCCCOc1ccc(F)cc1 ZINC000443093250 567731078 /nfs/dbraw/zinc/73/10/78/567731078.db2.gz YGCVNZPBGQCMMY-UHFFFAOYSA-N 0 0 382.844 3.488 20 30 GGEDRN Cc1cccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)N(C)C)c1C#N ZINC000443098545 567731330 /nfs/dbraw/zinc/73/13/30/567731330.db2.gz YKJKKOILDQGSFL-KRWDZBQOSA-N 0 0 377.897 3.101 20 30 GGEDRN CC(C)(C)c1csc(CCNS(=O)(=O)c2ccc(Cl)cc2C#N)n1 ZINC000443091261 567731416 /nfs/dbraw/zinc/73/14/16/567731416.db2.gz ZSDMKLKQODZISD-UHFFFAOYSA-N 0 0 383.926 3.487 20 30 GGEDRN CNc1ccc(C#N)cc1NS(=O)(=O)CCc1ccccc1Br ZINC000461349000 567732214 /nfs/dbraw/zinc/73/22/14/567732214.db2.gz VYBXNQJMGLJISX-UHFFFAOYSA-N 0 0 394.294 3.347 20 30 GGEDRN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC000646631497 567732579 /nfs/dbraw/zinc/73/25/79/567732579.db2.gz FFAIVXDNKXIUPH-LBPRGKRZSA-N 0 0 376.869 3.364 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000443107774 567732806 /nfs/dbraw/zinc/73/28/06/567732806.db2.gz ZJKHTHFMXDBGNZ-OAHLLOKOSA-N 0 0 395.937 3.389 20 30 GGEDRN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)c1ccsc1 ZINC000443111390 567732941 /nfs/dbraw/zinc/73/29/41/567732941.db2.gz UENNSZXKDSRZMF-INIZCTEOSA-N 0 0 381.498 3.120 20 30 GGEDRN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC000646631496 567733371 /nfs/dbraw/zinc/73/33/71/567733371.db2.gz FFAIVXDNKXIUPH-GFCCVEGCSA-N 0 0 376.869 3.364 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)Nc1cncc(Cl)c1Br ZINC000508129347 567733456 /nfs/dbraw/zinc/73/34/56/567733456.db2.gz UNRHCFQNGVRFON-UHFFFAOYSA-N 0 0 386.658 3.478 20 30 GGEDRN C=CCC[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000573740908 567733726 /nfs/dbraw/zinc/73/37/26/567733726.db2.gz JRXWFUCUJHTAOV-GJZGRUSLSA-N 0 0 375.412 3.406 20 30 GGEDRN N#Cc1ccc(C(=O)NCCc2c[nH]c3ccc(Br)cc23)cc1O ZINC000443126135 567733807 /nfs/dbraw/zinc/73/38/07/567733807.db2.gz YHWAXYCZXBXIHP-UHFFFAOYSA-N 0 0 384.233 3.480 20 30 GGEDRN CCS(=O)(=O)C1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000508162072 567734402 /nfs/dbraw/zinc/73/44/02/567734402.db2.gz NNTFEKJUQVMIPS-UHFFFAOYSA-N 0 0 376.503 3.121 20 30 GGEDRN N#CCC1CCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000554535571 567734901 /nfs/dbraw/zinc/73/49/01/567734901.db2.gz CGCNIIPOMUJAJC-CQSZACIVSA-N 0 0 382.233 3.357 20 30 GGEDRN CCOC(=O)C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000598044750 567735474 /nfs/dbraw/zinc/73/54/74/567735474.db2.gz CZRYUVIXFWXHAG-SNVBAGLBSA-N 0 0 375.240 3.458 20 30 GGEDRN CS(=O)(=O)c1cc(Br)ccc1NC(=O)c1ccc(C#N)s1 ZINC000508187969 567735886 /nfs/dbraw/zinc/73/58/86/567735886.db2.gz FXKMTYOPBKKPCQ-UHFFFAOYSA-N 0 0 385.264 3.038 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H](C)[C@@](C)(CO)C1 ZINC000667224188 567736533 /nfs/dbraw/zinc/73/65/33/567736533.db2.gz CRSHELKCKNCHDF-YVEFUNNKSA-N 0 0 383.286 3.496 20 30 GGEDRN C[C@@H](O)CN([C@@H](C)Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000443151683 567736541 /nfs/dbraw/zinc/73/65/41/567736541.db2.gz JKLXTOSZMICKMG-QWHCGFSZSA-N 0 0 398.937 3.276 20 30 GGEDRN Cc1c(Br)cc(C#N)c(=O)n1Cc1cccc(OC(C)(C)C)n1 ZINC000461436446 567736778 /nfs/dbraw/zinc/73/67/78/567736778.db2.gz ORKAQZVZKPNBSG-UHFFFAOYSA-N 0 0 376.254 3.412 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)N(C)Cc1nnc(C)o1 ZINC000667224219 567737024 /nfs/dbraw/zinc/73/70/24/567737024.db2.gz DVDGPPMTSQFVOV-UHFFFAOYSA-N 0 0 381.230 3.369 20 30 GGEDRN N#Cc1cccc(CCNC(=O)NCCNc2ncc(Cl)cc2Cl)c1 ZINC000554586185 567737224 /nfs/dbraw/zinc/73/72/24/567737224.db2.gz AGSRBRRUYIUTHH-UHFFFAOYSA-N 0 0 378.263 3.214 20 30 GGEDRN N#Cc1ccncc1C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000554619671 567738472 /nfs/dbraw/zinc/73/84/72/567738472.db2.gz LYGNTYRTFVTREZ-INIZCTEOSA-N 0 0 390.212 3.069 20 30 GGEDRN C[C@@H](C#N)N(C(=O)c1cc(F)c(F)cc1I)C1CC1 ZINC000598130779 567740520 /nfs/dbraw/zinc/74/05/20/567740520.db2.gz GUJBFTYBYBURKY-ZETCQYMHSA-N 0 0 376.144 3.086 20 30 GGEDRN C[C@H](C#N)N(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)C1CC1 ZINC000598128944 567740615 /nfs/dbraw/zinc/74/06/15/567740615.db2.gz QVSCNYNMDCFCOQ-SNVBAGLBSA-N 0 0 377.217 3.291 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N([C@H](C)C#N)C1CC1 ZINC000598132615 567740685 /nfs/dbraw/zinc/74/06/85/567740685.db2.gz RIIYTTFDOPNKSW-LLVKDONJSA-N 0 0 392.253 3.001 20 30 GGEDRN C[C@H](C#N)N(C(=O)c1cc(I)c(F)cc1F)C1CC1 ZINC000598132214 567740912 /nfs/dbraw/zinc/74/09/12/567740912.db2.gz ROXLGMDQNHPJLF-SSDOTTSWSA-N 0 0 376.144 3.086 20 30 GGEDRN C[C@@H](C#N)N(C(=O)CSCC(=O)Nc1cccc(Br)c1)C1CC1 ZINC000598137382 567740979 /nfs/dbraw/zinc/74/09/79/567740979.db2.gz PIHLAQQNJRKKKF-NSHDSACASA-N 0 0 396.310 3.024 20 30 GGEDRN C[C@H](C#N)N(C(=O)c1cc(F)c(F)cc1I)C1CC1 ZINC000598130778 567740996 /nfs/dbraw/zinc/74/09/96/567740996.db2.gz GUJBFTYBYBURKY-SSDOTTSWSA-N 0 0 376.144 3.086 20 30 GGEDRN C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCOC1 ZINC000461605900 567741093 /nfs/dbraw/zinc/74/10/93/567741093.db2.gz SQQHOGLLXXIHJF-CYBMUJFWSA-N 0 0 394.317 3.475 20 30 GGEDRN C[C@@H](C#N)N(C(=O)CCC(=O)c1ccc(I)cc1)C1CC1 ZINC000598123625 567741043 /nfs/dbraw/zinc/74/10/43/567741043.db2.gz QFQRFAWAJCEOKM-NSHDSACASA-N 0 0 396.228 3.157 20 30 GGEDRN CC1(c2ccc(Br)cc2)CCN(S(=O)(=O)CCCC#N)CC1 ZINC000443227092 567741283 /nfs/dbraw/zinc/74/12/83/567741283.db2.gz PDIOFCQLKLETMH-UHFFFAOYSA-N 0 0 385.327 3.436 20 30 GGEDRN CN(Cc1ccccc1Br)C(=O)CN1CCc2ccc(C#N)cc21 ZINC000573866537 567741731 /nfs/dbraw/zinc/74/17/31/567741731.db2.gz AXKGQCLKELBDSA-UHFFFAOYSA-N 0 0 384.277 3.342 20 30 GGEDRN N#Cc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)s1 ZINC000598151236 567741918 /nfs/dbraw/zinc/74/19/18/567741918.db2.gz RKQWMHUMUYJERF-UHFFFAOYSA-N 0 0 376.279 3.345 20 30 GGEDRN C[C@@H](C#N)N(C(=O)c1cnc2c(Cl)cc(Br)cc2c1O)C1CC1 ZINC000598139262 567741974 /nfs/dbraw/zinc/74/19/74/567741974.db2.gz ZZWBFZQMCLFEGK-QMMMGPOBSA-N 0 0 394.656 3.461 20 30 GGEDRN N#Cc1csc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)c1 ZINC000598151046 567742075 /nfs/dbraw/zinc/74/20/75/567742075.db2.gz OOXDSBSAWQKHGO-UHFFFAOYSA-N 0 0 376.279 3.345 20 30 GGEDRN C=CCOc1ccc(C(=O)NCc2nc3cc(Br)cnc3[nH]2)cc1 ZINC000461635586 567742484 /nfs/dbraw/zinc/74/24/84/567742484.db2.gz ZBURIKSYXBSNJN-UHFFFAOYSA-N 0 0 387.237 3.215 20 30 GGEDRN N#Cc1cc([N+](=O)[O-])cnc1NCCCc1ccc(Br)cc1F ZINC000554701040 567742808 /nfs/dbraw/zinc/74/28/08/567742808.db2.gz DYGVUSKLKMATAU-UHFFFAOYSA-N 0 0 379.189 3.230 20 30 GGEDRN C=CCC1(NC(=O)c2sc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC000598176230 567742976 /nfs/dbraw/zinc/74/29/76/567742976.db2.gz CGAZFPXQNZDWDS-UHFFFAOYSA-N 0 0 375.244 3.274 20 30 GGEDRN C=CCC1(NC(=O)Cc2cccc(I)c2)CCOCC1 ZINC000598178694 567743059 /nfs/dbraw/zinc/74/30/59/567743059.db2.gz RYVLZIYNXYCUKU-UHFFFAOYSA-N 0 0 385.245 3.075 20 30 GGEDRN C=CCC1(NC(=O)c2ccc(I)c(F)c2)CCOCC1 ZINC000598177248 567743130 /nfs/dbraw/zinc/74/31/30/567743130.db2.gz HZWIORHLEIBOQM-UHFFFAOYSA-N 0 0 389.208 3.285 20 30 GGEDRN C=CCC1(NC(=O)c2cc(I)ccc2C)CCOCC1 ZINC000598178092 567743310 /nfs/dbraw/zinc/74/33/10/567743310.db2.gz OYHVURZSQHJXCK-UHFFFAOYSA-N 0 0 385.245 3.455 20 30 GGEDRN COc1ccccc1[C@@]1(C)C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443242087 567743581 /nfs/dbraw/zinc/74/35/81/567743581.db2.gz BNRQOXNZNMKGFB-ZWKOTPCHSA-N 0 0 376.865 3.229 20 30 GGEDRN C=CCCCNC(=O)C(=O)N1CCC[C@H]1c1cc(Br)ccc1OC ZINC000554730316 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Cc1nc(N[C@H](C(N)=O)c2cccc(Br)c2)c(Cl)cc1C#N ZINC000461777659 567746951 /nfs/dbraw/zinc/74/69/51/567746951.db2.gz NJIFNVQAESZUME-ZDUSSCGKSA-N 0 0 379.645 3.316 20 30 GGEDRN Cc1nc(N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(Cl)cc1C#N ZINC000461771061 567746974 /nfs/dbraw/zinc/74/69/74/567746974.db2.gz CIWHGRFAXHFKKC-NSHDSACASA-N 0 0 378.885 3.339 20 30 GGEDRN CSCC[C@@](C)(C#N)NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000554760854 567747791 /nfs/dbraw/zinc/74/77/91/567747791.db2.gz RJSCBCSVUDZMFY-INIZCTEOSA-N 0 0 395.941 3.385 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccc(Br)cc1F ZINC000508427757 567748230 /nfs/dbraw/zinc/74/82/30/567748230.db2.gz JGJITAMSKGYTST-SNVBAGLBSA-N 0 0 390.212 3.276 20 30 GGEDRN C=CCN(CCOC)C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000573982444 567748742 /nfs/dbraw/zinc/74/87/42/567748742.db2.gz BBJGJKNUUJKZPF-UHFFFAOYSA-N 0 0 380.798 3.010 20 30 GGEDRN N#Cc1cc(Br)ccc1CNc1ccc2c(c1)S(=O)(=O)CC2 ZINC000554782399 567748759 /nfs/dbraw/zinc/74/87/59/567748759.db2.gz 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C=CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC000508494410 567751221 /nfs/dbraw/zinc/75/12/21/567751221.db2.gz PHQNLXVQNDXHLZ-BETUJISGSA-N 0 0 376.302 3.324 20 30 GGEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC000508497493 567751403 /nfs/dbraw/zinc/75/14/03/567751403.db2.gz LLFFSBXBSDUTHQ-SMDDNHRTSA-N 0 0 380.290 3.083 20 30 GGEDRN CSc1ccc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000461884470 567752340 /nfs/dbraw/zinc/75/23/40/567752340.db2.gz LYPDYCWQZSDUSH-LLVKDONJSA-N 0 0 377.447 3.228 20 30 GGEDRN CN(C)[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC000533095829 567752484 /nfs/dbraw/zinc/75/24/84/567752484.db2.gz WZXMMEUIHSKTJA-MRXNPFEDSA-N 0 0 398.315 3.446 20 30 GGEDRN C[C@@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)c1cccc(C#N)c1 ZINC000461908975 567752956 /nfs/dbraw/zinc/75/29/56/567752956.db2.gz SGRWNABADKOVBJ-CQSZACIVSA-N 0 0 399.292 3.168 20 30 GGEDRN C=CCOc1c(Br)cc(CN2CCOCC(F)(F)C2)cc1OC ZINC000554885625 567754047 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CCN(C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2)[C@@H](C)C#N ZINC000598359139 567758479 /nfs/dbraw/zinc/75/84/79/567758479.db2.gz JMTVTWSQCRUZPJ-LBPRGKRZSA-N 0 0 387.281 3.498 20 30 GGEDRN C=C(C)CCc1noc(CCNS(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000508618848 567758489 /nfs/dbraw/zinc/75/84/89/567758489.db2.gz LBBIFKZXGOSICI-UHFFFAOYSA-N 0 0 390.292 3.406 20 30 GGEDRN N#Cc1ccc(OC2CN(C(=O)NCc3csc(Br)c3)C2)cc1 ZINC000461994687 567758615 /nfs/dbraw/zinc/75/86/15/567758615.db2.gz KTCCXUGSOORUKV-UHFFFAOYSA-N 0 0 392.278 3.355 20 30 GGEDRN CCN(C(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1)[C@H](C)C#N ZINC000598351519 567758579 /nfs/dbraw/zinc/75/85/79/567758579.db2.gz VQAPNAZOIMIEDH-BXKDBHETSA-N 0 0 378.523 3.396 20 30 GGEDRN CCN(C(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1)[C@H](C)C#N ZINC000598351522 567758693 /nfs/dbraw/zinc/75/86/93/567758693.db2.gz VQAPNAZOIMIEDH-SKDRFNHKSA-N 0 0 378.523 3.396 20 30 GGEDRN CN(CCOc1ccccc1Cl)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000533218768 567758991 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GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000819745534 599681834 /nfs/dbraw/zinc/68/18/34/599681834.db2.gz HVLNJLRGLNNWIB-OAHLLOKOSA-N 0 0 387.447 3.197 20 30 GGEDRN C=CCN(Cc1nc([C@@H](C)OCC(C)C)no1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819745501 599683482 /nfs/dbraw/zinc/68/34/82/599683482.db2.gz GRSHHZQISUBMNK-OAHLLOKOSA-N 0 0 397.483 3.172 20 30 GGEDRN N#Cc1c2c(sc1NC(=O)CC[N@H+]1[C@@H]3CCCC[C@H]3C[C@H]1C(=O)[O-])CCC2 ZINC000739093624 599713252 /nfs/dbraw/zinc/71/32/52/599713252.db2.gz RRVTWFINLAEUSA-MAZHCROVSA-N 0 0 387.505 3.155 20 30 GGEDRN N#Cc1ccc(NC(=O)CC[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000739122425 599713476 /nfs/dbraw/zinc/71/34/76/599713476.db2.gz FPHJRNGUCMOJLK-ZLIFDBKOSA-N 0 0 375.856 3.258 20 30 GGEDRN C=CCC[C@H](NC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000819734545 607390460 /nfs/dbraw/zinc/39/04/60/607390460.db2.gz QTHYLSLXPOQCGM-IBGZPJMESA-N 0 0 392.463 3.252 20 30 GGEDRN N#Cc1cccc(OCC[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000739140710 599792180 /nfs/dbraw/zinc/79/21/80/599792180.db2.gz YYAQHWVXOYIUDV-INIZCTEOSA-N 0 0 375.222 3.115 20 30 GGEDRN C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cc(C(=O)[O-])co1 ZINC000736118173 599844017 /nfs/dbraw/zinc/84/40/17/599844017.db2.gz RETVVANELBYVFM-UHFFFAOYSA-N 0 0 376.482 3.076 20 30 GGEDRN CCCc1cc[n+](C(C(=O)c2cc(C(=O)[O-])co2)C(=S)NC(C)C)cc1 ZINC000737045466 599854668 /nfs/dbraw/zinc/85/46/68/599854668.db2.gz SKIDWMSRQHKTDX-UHFFFAOYSA-O 0 0 375.470 3.155 20 30 GGEDRN O=C([O-])c1coc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccccc2)c1 ZINC000740258100 599855654 /nfs/dbraw/zinc/85/56/54/599855654.db2.gz QEJPDIRNAQMKPL-UHFFFAOYSA-O 0 0 395.460 3.036 20 30 GGEDRN N#Cc1ccccc1NC(=S)C(C(=O)c1cc(C(=O)[O-])co1)[n+]1ccccc1 ZINC000739146992 599855695 /nfs/dbraw/zinc/85/56/95/599855695.db2.gz NUWFFXXJKDGAHR-UHFFFAOYSA-O 0 0 392.416 3.188 20 30 GGEDRN CCc1cccc(C)c1NC(=S)NN=C1CC[NH+](CCCC(=O)[O-])CC1 ZINC000737266678 600004353 /nfs/dbraw/zinc/00/43/53/600004353.db2.gz HALUAKZRHQVQSJ-UHFFFAOYSA-N 0 0 376.526 3.160 20 30 GGEDRN Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1C(=O)[O-] ZINC000738438234 600016957 /nfs/dbraw/zinc/01/69/57/600016957.db2.gz YVBDGALAFRGJRY-UHFFFAOYSA-N 0 0 392.459 3.305 20 30 GGEDRN C[C@@]([NH2+]CCOc1ccc(C#N)cc1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736663903 600079019 /nfs/dbraw/zinc/07/90/19/600079019.db2.gz HRXGTFYRVFPUAH-SFHVURJKSA-N 0 0 389.249 3.289 20 30 GGEDRN C[C@]([NH2+]CCOc1ccccc1C#N)(C(=O)[O-])c1cccc(Br)c1 ZINC000736665566 600079262 /nfs/dbraw/zinc/07/92/62/600079262.db2.gz WITRWKLLXZQCGE-GOSISDBHSA-N 0 0 389.249 3.289 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1(C(=O)[O-])CCCCC1 ZINC000736203929 600149948 /nfs/dbraw/zinc/14/99/48/600149948.db2.gz WOFGNXGWEMKARH-AWEZNQCLSA-N 0 0 375.494 3.254 20 30 GGEDRN CCC[C@@](C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)[O-] ZINC000736962847 600152845 /nfs/dbraw/zinc/15/28/45/600152845.db2.gz PKBIHVZTRXZJDG-LJQANCHMSA-N 0 0 377.510 3.450 20 30 GGEDRN CCC[C@@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C(=O)[O-] ZINC000736963772 600155444 /nfs/dbraw/zinc/15/54/44/600155444.db2.gz LWAGKLLXLOCFJI-JOCHJYFZSA-N 0 0 396.491 3.196 20 30 GGEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000738364596 600295440 /nfs/dbraw/zinc/29/54/40/600295440.db2.gz XLSLCNCAKXZWQJ-HKUYNNGSSA-N 0 0 383.492 3.125 20 30 GGEDRN N#Cc1ccc(NC(=O)CC[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000739123888 600328523 /nfs/dbraw/zinc/32/85/23/600328523.db2.gz YGFMVBFKDLQADB-UHFFFAOYSA-N 0 0 387.386 3.142 20 30 GGEDRN N#Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 ZINC000739107387 600562973 /nfs/dbraw/zinc/56/29/73/600562973.db2.gz XBIJRHUDRYZYPH-IBGZPJMESA-N 0 0 376.416 3.076 20 30 GGEDRN COc1ccc(C(=O)C2CC[NH+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000737919785 600563552 /nfs/dbraw/zinc/56/35/52/600563552.db2.gz GEMXWCDMMMFIBQ-HXUWFJFHSA-N 0 0 378.428 3.287 20 30 GGEDRN N#Cc1ccc([C@@H](C(=O)[O-])N2CC[NH+](Cc3cccc4cccnc43)CC2)cc1 ZINC000739107599 600564806 /nfs/dbraw/zinc/56/48/06/600564806.db2.gz YBXOTCFQETYSNE-QFIPXVFZSA-N 0 0 386.455 3.050 20 30 GGEDRN CN(C[C@@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C ZINC000737409964 600565894 /nfs/dbraw/zinc/56/58/94/600565894.db2.gz OPQHPTDODKEFCO-FUHWJXTLSA-N 0 0 387.480 3.263 20 30 GGEDRN N#Cc1ccc([C@@H](C(=O)[O-])[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000739107352 600567242 /nfs/dbraw/zinc/56/72/42/600567242.db2.gz WRHRBPKPZCRHEU-IBGZPJMESA-N 0 0 397.862 3.185 20 30 GGEDRN COc1ccc([C@@H](C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000737958487 600590637 /nfs/dbraw/zinc/59/06/37/600590637.db2.gz ZTJUYSKQQMSUOG-NHCUHLMSSA-N 0 0 379.460 3.119 20 30 GGEDRN N#Cc1ccc([C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)C(=O)[O-])cc1 ZINC000739108006 600592143 /nfs/dbraw/zinc/59/21/43/600592143.db2.gz SLUHROUHNRHPPB-HXUWFJFHSA-N 0 0 377.444 3.100 20 30 GGEDRN N#Cc1ccc([C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C(=O)[O-])cc1 ZINC000739108599 600595293 /nfs/dbraw/zinc/59/52/93/600595293.db2.gz VQMZWAOMQSNMPY-HXUWFJFHSA-N 0 0 385.414 3.216 20 30 GGEDRN COc1ccc(C2(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000737983062 600595542 /nfs/dbraw/zinc/59/55/42/600595542.db2.gz PTEIXKYTFIHPMS-FQEVSTJZSA-N 0 0 380.444 3.031 20 30 GGEDRN N#Cc1ccc([C@@H]([NH2+]CCc2ccc(F)c(Br)c2)C(=O)[O-])cc1 ZINC000739105516 600596060 /nfs/dbraw/zinc/59/60/60/600596060.db2.gz HQXWPLHLMSTVEJ-MRXNPFEDSA-N 0 0 377.213 3.418 20 30 GGEDRN N#Cc1ccc([C@@H]([NH2+]CCOc2cccc(Br)c2)C(=O)[O-])cc1 ZINC000739105329 600596239 /nfs/dbraw/zinc/59/62/39/600596239.db2.gz GGLIAXVWWXMUBV-MRXNPFEDSA-N 0 0 375.222 3.115 20 30 GGEDRN N#Cc1ccc([C@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)C(=O)[O-])cc1 ZINC000739108868 600597077 /nfs/dbraw/zinc/59/70/77/600597077.db2.gz XOFOABIUTCKLRQ-FQEVSTJZSA-N 0 0 386.411 3.121 20 30 GGEDRN COc1ccc(CC[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC(F)F ZINC000737991000 600597503 /nfs/dbraw/zinc/59/75/03/600597503.db2.gz QSZOWEKQKDJFKH-QGZVFWFLSA-N 0 0 376.359 3.126 20 30 GGEDRN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1Br ZINC000738008450 600597688 /nfs/dbraw/zinc/59/76/88/600597688.db2.gz KJBFMWYUTDDABB-INIZCTEOSA-N 0 0 375.222 3.245 20 30 GGEDRN N#Cc1ccc([C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C(=O)[O-])cc1 ZINC000739104846 600598354 /nfs/dbraw/zinc/59/83/54/600598354.db2.gz DNYGLIMZAVHDRZ-QGZVFWFLSA-N 0 0 382.807 3.220 20 30 GGEDRN N#Cc1ccc([C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C(=O)[O-])cc1 ZINC000739105522 600598458 /nfs/dbraw/zinc/59/84/58/600598458.db2.gz HQZFEXCJEJNGEF-QGZVFWFLSA-N 0 0 382.807 3.220 20 30 GGEDRN N#Cc1ccc([C@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C(=O)[O-])cc1 ZINC000739107560 600598856 /nfs/dbraw/zinc/59/88/56/600598856.db2.gz RXTAAGKBNGRFLK-NRFANRHFSA-N 0 0 380.444 3.169 20 30 GGEDRN N#Cc1ccc([C@@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C(=O)[O-])cc1 ZINC000739107566 600598932 /nfs/dbraw/zinc/59/89/32/600598932.db2.gz RXTAAGKBNGRFLK-OAQYLSRUSA-N 0 0 380.444 3.169 20 30 GGEDRN N#Cc1ccc([C@H]([NH2+]CCc2ccc(Br)cc2F)C(=O)[O-])cc1 ZINC000739108234 600598971 /nfs/dbraw/zinc/59/89/71/600598971.db2.gz UUFQLGYDOKIJRM-INIZCTEOSA-N 0 0 377.213 3.418 20 30 GGEDRN N#Cc1ccc([C@H]([NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)C(=O)[O-])cc1 ZINC000739104432 600599392 /nfs/dbraw/zinc/59/93/92/600599392.db2.gz APRRMQZDFDSGRZ-YJBOKZPZSA-N 0 0 387.386 3.154 20 30 GGEDRN CCOC(=O)c1oc2c(c1C)C(=O)C(=Cc1ccc(-c3nn[nH]n3)cc1F)CC2 ZINC000821346395 607457634 /nfs/dbraw/zinc/45/76/34/607457634.db2.gz HGJXEYPTQQBAKG-XYOKQWHBSA-N 0 0 396.378 3.296 20 30 GGEDRN C=CCn1c2ccccc2n(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c1=S ZINC000825705852 600719502 /nfs/dbraw/zinc/71/95/02/600719502.db2.gz UUUHWOYZHYFLBV-UHFFFAOYSA-N 0 0 375.494 3.271 20 30 GGEDRN N#Cc1ccc([C@H](OC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C(=O)[O-])cc1 ZINC000739112006 600804132 /nfs/dbraw/zinc/80/41/32/600804132.db2.gz XNYRSIWYLBCEAT-ICSRJNTNSA-N 0 0 396.418 3.278 20 30 GGEDRN C[C@H]1C[C@H](NC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC[N@@H+]1C ZINC000736759019 600941341 /nfs/dbraw/zinc/94/13/41/600941341.db2.gz FVOWCVJEZUDQLL-HRAATJIYSA-N 0 0 391.471 3.389 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1C ZINC000832971348 600987944 /nfs/dbraw/zinc/98/79/44/600987944.db2.gz KXFQRNVRQZWCIJ-HOJAQTOUSA-N 0 0 383.492 3.268 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1C ZINC000832971351 600988017 /nfs/dbraw/zinc/98/80/17/600988017.db2.gz KXFQRNVRQZWCIJ-SXLOBPIMSA-N 0 0 383.492 3.268 20 30 GGEDRN CC(C)c1cnc(CN(C)[C@@H]2CC[N@@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)o1 ZINC000827139078 601027716 /nfs/dbraw/zinc/02/77/16/601027716.db2.gz FDOPQUWCSXPCQF-XLIONFOSSA-N 0 0 382.464 3.002 20 30 GGEDRN CC(C)c1cnc(CN(C)[C@H]2CC[N@@H+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2)o1 ZINC000827139076 601028087 /nfs/dbraw/zinc/02/80/87/601028087.db2.gz FDOPQUWCSXPCQF-FXAWDEMLSA-N 0 0 382.464 3.002 20 30 GGEDRN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 ZINC000827368703 601127385 /nfs/dbraw/zinc/12/73/85/601127385.db2.gz HWHQXXPOKHVPDU-MRXNPFEDSA-N 0 0 397.500 3.161 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1 ZINC000827217293 601132434 /nfs/dbraw/zinc/13/24/34/601132434.db2.gz BCNAWBMZMUHIHD-HUUCEWRRSA-N 0 0 390.509 3.094 20 30 GGEDRN N#Cc1cccc([C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)C(=O)[O-])c1 ZINC000833074879 601298770 /nfs/dbraw/zinc/29/87/70/601298770.db2.gz FWWFEWKFHYKTND-FQEVSTJZSA-N 0 0 377.444 3.100 20 30 GGEDRN COc1cc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OCC(F)(F)F ZINC000832000306 601301155 /nfs/dbraw/zinc/30/11/55/601301155.db2.gz MKJXNGQUJNMNKA-QGZVFWFLSA-N 0 0 394.349 3.423 20 30 GGEDRN CCOc1cc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC(F)F ZINC000830045182 601301795 /nfs/dbraw/zinc/30/17/95/601301795.db2.gz XIGWZEHVQFYFSG-QGZVFWFLSA-N 0 0 376.359 3.474 20 30 GGEDRN N#Cc1cccc([C@H](Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)C(=O)[O-])c1 ZINC000833074532 601303107 /nfs/dbraw/zinc/30/31/07/601303107.db2.gz ACKGUIQJPUCRMD-QFIPXVFZSA-N 0 0 390.487 3.328 20 30 GGEDRN CCc1noc(-c2ccc(CC[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2)n1 ZINC000830338799 601304024 /nfs/dbraw/zinc/30/40/24/601304024.db2.gz AUWLAXUGILUQMX-LJQANCHMSA-N 0 0 376.416 3.129 20 30 GGEDRN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1Br ZINC000832341926 601304212 /nfs/dbraw/zinc/30/42/12/601304212.db2.gz PWSHHYXDNFPSRR-MRXNPFEDSA-N 0 0 375.222 3.245 20 30 GGEDRN CC1(C)CN(C2(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)CCCCC2)CCO1 ZINC000828074303 601305100 /nfs/dbraw/zinc/30/51/00/601305100.db2.gz FVGMZYFECJJBBK-IBGZPJMESA-N 0 0 385.508 3.087 20 30 GGEDRN CCc1nc(CN2CCC(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cs1 ZINC000830315589 601305124 /nfs/dbraw/zinc/30/51/24/601305124.db2.gz ZGMSZLBFSRSMBJ-FQEVSTJZSA-N 0 0 398.532 3.205 20 30 GGEDRN CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC ZINC000828586333 601305160 /nfs/dbraw/zinc/30/51/60/601305160.db2.gz DJNIXTUZDBZMSF-YLJYHZDGSA-N 0 0 379.416 3.163 20 30 GGEDRN N#Cc1cccc([C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C(=O)[O-])c1 ZINC000833074705 601305307 /nfs/dbraw/zinc/30/53/07/601305307.db2.gz DTAQQOWCRFKBLV-KRWDZBQOSA-N 0 0 382.807 3.220 20 30 GGEDRN N#Cc1cccc([C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C(=O)[O-])c1 ZINC000833074706 601305758 /nfs/dbraw/zinc/30/57/58/601305758.db2.gz DTAQQOWCRFKBLV-QGZVFWFLSA-N 0 0 382.807 3.220 20 30 GGEDRN N#Cc1cccc([C@H](C(=O)[O-])[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000833074504 601312039 /nfs/dbraw/zinc/31/20/39/601312039.db2.gz ZIBSBRIPBPBVGC-LJQANCHMSA-N 0 0 396.422 3.109 20 30 GGEDRN N#Cc1cccc([C@@H](C(=O)[O-])[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000833074149 601313228 /nfs/dbraw/zinc/31/32/28/601313228.db2.gz PZMHQXBQKASPSW-IBGZPJMESA-N 0 0 397.862 3.185 20 30 GGEDRN C[C@H](c1ccc(F)cc1F)N1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000827934515 601314740 /nfs/dbraw/zinc/31/47/40/601314740.db2.gz HAFWDIJOXBITHV-JLTOFOAXSA-N 0 0 385.414 3.341 20 30 GGEDRN N#Cc1cccc([C@H](C(=O)[O-])[N@@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)c1 ZINC000833073893 601322432 /nfs/dbraw/zinc/32/24/32/601322432.db2.gz JOXRKNANVUSBRH-CZUORRHYSA-N 0 0 378.354 3.305 20 30 GGEDRN Cc1ccc(CNC(=O)C2CC[NH+]([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1 ZINC000832932773 601323975 /nfs/dbraw/zinc/32/39/75/601323975.db2.gz XQBZNPNOXJGBLM-NRFANRHFSA-N 0 0 391.471 3.021 20 30 GGEDRN C[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830702499 601355821 /nfs/dbraw/zinc/35/58/21/601355821.db2.gz WRXCBGVSFKTHHC-INIZCTEOSA-N 0 0 375.469 3.167 20 30 GGEDRN C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000825642306 601415758 /nfs/dbraw/zinc/41/57/58/601415758.db2.gz NUVHPERPUKVWQW-KRWDZBQOSA-N 0 0 379.888 3.196 20 30 GGEDRN COc1cc(C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)ccc1OCc1cccc(C#N)c1 ZINC000831995369 601511443 /nfs/dbraw/zinc/51/14/43/601511443.db2.gz JLOMNBCJDMSKNI-HNAYVOBHSA-N 0 0 380.444 3.298 20 30 GGEDRN COc1cc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)ccc1OCc1cccc(C#N)c1 ZINC000831995368 601511471 /nfs/dbraw/zinc/51/14/71/601511471.db2.gz JLOMNBCJDMSKNI-DNVCBOLYSA-N 0 0 380.444 3.298 20 30 GGEDRN N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3ccccc3[C@@H]1C(=O)[O-])CCC2 ZINC000833067980 601545928 /nfs/dbraw/zinc/54/59/28/601545928.db2.gz KKUXWOKCZWJJQV-LJQANCHMSA-N 0 0 395.484 3.121 20 30 GGEDRN N#Cc1ccc(NC(=O)CC[N@@H+]2CCc3ccccc3[C@H]2C(=O)[O-])cc1Cl ZINC000833073150 601547364 /nfs/dbraw/zinc/54/73/64/601547364.db2.gz HEFNSTGYRUHNRQ-IBGZPJMESA-N 0 0 383.835 3.224 20 30 GGEDRN CC[C@](C)(CC(=O)[O-])[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000828658227 601555735 /nfs/dbraw/zinc/55/57/35/601555735.db2.gz SYEIACAOPVMYRF-JOCHJYFZSA-N 0 0 396.491 3.196 20 30 GGEDRN COc1cc2[nH]c(CCC[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)cc2c(OC)c1 ZINC000832033782 601560717 /nfs/dbraw/zinc/56/07/17/601560717.db2.gz GCRBJHOEQPIBII-NRFANRHFSA-N 0 0 393.443 3.405 20 30 GGEDRN Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H](C(=O)[O-])C(C)(C)C)c1C#N ZINC000832849588 601601586 /nfs/dbraw/zinc/60/15/86/601601586.db2.gz KMBZNAHOFCQQAV-IBGZPJMESA-N 0 0 396.491 3.052 20 30 GGEDRN C=CCOc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000825698377 601740394 /nfs/dbraw/zinc/74/03/94/601740394.db2.gz HEDBTSWOCHMWDN-QHCPKHFHSA-N 0 0 394.471 3.101 20 30 GGEDRN C[C@H]1CN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C[C@@H]1[NH+](C)C ZINC000828378926 601751519 /nfs/dbraw/zinc/75/15/19/601751519.db2.gz UZKNNQDFIMGNNA-KKSFZXQISA-N 0 0 391.471 3.198 20 30 GGEDRN N#CCCN(C(=O)C[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)c1cccc(Cl)c1 ZINC000833066017 601858208 /nfs/dbraw/zinc/85/82/08/601858208.db2.gz SOQMNWKEFIJFEO-JLSDUUJJSA-N 0 0 389.883 3.304 20 30 GGEDRN C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727399 601901343 /nfs/dbraw/zinc/90/13/43/601901343.db2.gz RULWCMWHSLZCDS-SFHVURJKSA-N 0 0 391.349 3.062 20 30 GGEDRN C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727044 601904337 /nfs/dbraw/zinc/90/43/37/601904337.db2.gz HIWSCDPFUGAANV-GOSISDBHSA-N 0 0 391.349 3.062 20 30 GGEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)c1C#N ZINC000832849658 601914686 /nfs/dbraw/zinc/91/46/86/601914686.db2.gz OBYMRPOOFUUTEG-OAQYLSRUSA-N 0 0 386.496 3.217 20 30 GGEDRN Cc1cc(N(CCC#N)C(=O)C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)ccc1Cl ZINC000832889284 601955731 /nfs/dbraw/zinc/95/57/31/601955731.db2.gz PNTMEZGLWYJETR-AWEZNQCLSA-N 0 0 377.872 3.080 20 30 GGEDRN CCOC(=O)c1ccc(-c2nn[nH]n2)c(SCC#Cc2ccccc2Cl)n1 ZINC000825559445 607541503 /nfs/dbraw/zinc/54/15/03/607541503.db2.gz FTMYGYBININLNU-UHFFFAOYSA-N 0 0 399.863 3.236 20 30 GGEDRN C=C(C)Cn1c(-c2ccncc2)nn(CN2CCCC[C@H]2CC(=O)[O-])c1=S ZINC000825647897 602189501 /nfs/dbraw/zinc/18/95/01/602189501.db2.gz XBSSEZITOAAWPM-INIZCTEOSA-N 0 0 387.509 3.339 20 30 GGEDRN C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1(C(=O)[O-])CCCC1 ZINC000830727112 604454962 /nfs/dbraw/zinc/45/49/62/604454962.db2.gz KNXKDLZULUFMIW-UHFFFAOYSA-N 0 0 375.494 3.156 20 30 GGEDRN C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C(=O)[O-])ccc2-n2cc(C)cn2)CC1 ZINC000833369234 604491242 /nfs/dbraw/zinc/49/12/42/604491242.db2.gz LLJRTYVQSUVCEW-UHFFFAOYSA-N 0 0 397.479 3.041 20 30 GGEDRN CC(C)[NH+]1CCN(c2cccc(N[C@H](C(=O)[O-])c3ccc(C#N)cc3)c2)CC1 ZINC000833499925 604507026 /nfs/dbraw/zinc/50/70/26/604507026.db2.gz RZOPRCBZIRSBBN-NRFANRHFSA-N 0 0 378.476 3.326 20 30 GGEDRN C[C@@H](Oc1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1)C(=O)[O-] ZINC000833539023 604525322 /nfs/dbraw/zinc/52/53/22/604525322.db2.gz FXYUZDJGOYFCHF-GOSISDBHSA-N 0 0 393.487 3.118 20 30 GGEDRN C[C@H](Oc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1)C(=O)[O-] ZINC000833543621 604587774 /nfs/dbraw/zinc/58/77/74/604587774.db2.gz SZYBLJHPVRLUKH-INIZCTEOSA-N 0 0 380.444 3.454 20 30 GGEDRN C[C@@H](Oc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1)C(=O)[O-] ZINC000833543622 604587848 /nfs/dbraw/zinc/58/78/48/604587848.db2.gz SZYBLJHPVRLUKH-MRXNPFEDSA-N 0 0 380.444 3.454 20 30 GGEDRN C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC000833377529 604668320 /nfs/dbraw/zinc/66/83/20/604668320.db2.gz ADTMRWXGVXWPAQ-DGCLKSJQSA-N 0 0 384.270 3.175 20 30 GGEDRN C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC000833377530 604668424 /nfs/dbraw/zinc/66/84/24/604668424.db2.gz ADTMRWXGVXWPAQ-WCQYABFASA-N 0 0 384.270 3.175 20 30 GGEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)c1C#N ZINC000832850025 604746183 /nfs/dbraw/zinc/74/61/83/604746183.db2.gz XISMMONLSNZDNI-AWEZNQCLSA-N 0 0 394.475 3.089 20 30 GGEDRN C[C@@H](C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1)C(=O)[O-] ZINC000827450389 604746244 /nfs/dbraw/zinc/74/62/44/604746244.db2.gz WPGRQQBFMMKTSP-LBPRGKRZSA-N 0 0 375.494 3.012 20 30 GGEDRN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833402129 604939351 /nfs/dbraw/zinc/93/93/51/604939351.db2.gz BRKCREJEULDVTD-CVEARBPZSA-N 0 0 389.471 3.284 20 30 GGEDRN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000833421495 604940592 /nfs/dbraw/zinc/94/05/92/604940592.db2.gz PQAAOPBQXXFWKS-CYBMUJFWSA-N 0 0 389.521 3.260 20 30 GGEDRN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000833421721 604943458 /nfs/dbraw/zinc/94/34/58/604943458.db2.gz ZUKIXGMRSIJHSA-CQSZACIVSA-N 0 0 375.494 3.064 20 30 GGEDRN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833411070 604951008 /nfs/dbraw/zinc/95/10/08/604951008.db2.gz LGZMBHOBGQWNKI-OLZOCXBDSA-N 0 0 389.521 3.258 20 30 GGEDRN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000833421268 604953007 /nfs/dbraw/zinc/95/30/07/604953007.db2.gz LAMKTVJOLGJWLA-CQSZACIVSA-N 0 0 377.872 3.363 20 30 GGEDRN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000833420997 604953057 /nfs/dbraw/zinc/95/30/57/604953057.db2.gz GGNMDXXDNYSBNE-CVEARBPZSA-N 0 0 392.459 3.046 20 30 GGEDRN C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H]3CC(=O)[O-])sc2C1 ZINC000833617204 604967464 /nfs/dbraw/zinc/96/74/64/604967464.db2.gz OIXNACXZQHBVBZ-QWHCGFSZSA-N 0 0 375.494 3.012 20 30 GGEDRN C[C@@]1([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)CCCC[C@H]1C(=O)[O-] ZINC000833571789 605064937 /nfs/dbraw/zinc/06/49/37/605064937.db2.gz IKBIWTBCLNRBAH-QFBILLFUSA-N 0 0 377.872 3.210 20 30 GGEDRN C[C@@]1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCCC[C@H]1C(=O)[O-] ZINC000833571988 605072603 /nfs/dbraw/zinc/07/26/03/605072603.db2.gz RYTUGWSFIVLQLC-MGPUTAFESA-N 0 0 389.521 3.450 20 30 GGEDRN C[C@H](Oc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1)C(=O)[O-] ZINC000833543591 605120288 /nfs/dbraw/zinc/12/02/88/605120288.db2.gz ZSGULFGCICGWKC-IJNIYJAUSA-N 0 0 395.459 3.285 20 30 GGEDRN C=CCC[C@@H]([NH2+]CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000833373465 605144097 /nfs/dbraw/zinc/14/40/97/605144097.db2.gz PYWDPTYCOJMVMO-RTWAWAEBSA-N 0 0 378.472 3.322 20 30 GGEDRN 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GGEDRN Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc3nc(C)cc(C)n3n2)cc1 ZINC000021653088 1399398075 /nfs/dbraw/zinc/39/80/75/1399398075.db2.gz CORWMZFUANOBFJ-INIZCTEOSA-N 0 0 394.504 3.477 20 30 GGEDRN C[C@@H](OC(=O)c1cc(=O)c2ccccc2o1)C(=O)N(CCC#N)c1ccccc1 ZINC000021678620 1399399877 /nfs/dbraw/zinc/39/98/77/1399399877.db2.gz PVMLHPPPVQLQEI-OAHLLOKOSA-N 0 0 390.395 3.285 20 30 GGEDRN CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c1C ZINC000021675500 1399399971 /nfs/dbraw/zinc/39/99/71/1399399971.db2.gz QYWUDTNKDMVTAF-OAHLLOKOSA-N 0 0 399.422 3.465 20 30 GGEDRN COc1ccc(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)c(OC)c1 ZINC000021678413 1399400140 /nfs/dbraw/zinc/40/01/40/1399400140.db2.gz LKGJIDMDXUJGQY-OAHLLOKOSA-N 0 0 382.416 3.196 20 30 GGEDRN COc1ccc(CC(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1OC ZINC000021678641 1399400145 /nfs/dbraw/zinc/40/01/45/1399400145.db2.gz YJIWTLZETQJMNY-INIZCTEOSA-N 0 0 396.443 3.125 20 30 GGEDRN Cc1c(C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000021679118 1399400544 /nfs/dbraw/zinc/40/05/44/1399400544.db2.gz RKJFLFXZBRKASJ-HNNXBMFYSA-N 0 0 381.388 3.395 20 30 GGEDRN COc1ccc(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1OC ZINC000021678647 1399400648 /nfs/dbraw/zinc/40/06/48/1399400648.db2.gz SKUCGXHDJXQKNA-OAHLLOKOSA-N 0 0 382.416 3.196 20 30 GGEDRN Cc1ccc(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000021688025 1399400667 /nfs/dbraw/zinc/40/06/67/1399400667.db2.gz SBOILYZBAPVROI-OAHLLOKOSA-N 0 0 381.388 3.395 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000021758221 1399406501 /nfs/dbraw/zinc/40/65/01/1399406501.db2.gz GGLZPNAFQNCPHJ-BTYIYWSLSA-N 0 0 383.448 3.260 20 30 GGEDRN COC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000021863115 1399416078 /nfs/dbraw/zinc/41/60/78/1399416078.db2.gz RGTAMUWAHVRDMF-AWEZNQCLSA-N 0 0 398.390 3.104 20 30 GGEDRN Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)NC(=O)NCC(C)C)n1 ZINC000021910748 1399422097 /nfs/dbraw/zinc/42/20/97/1399422097.db2.gz DLWDXHTWABDDIO-SNVBAGLBSA-N 0 0 388.415 3.243 20 30 GGEDRN C=CCN(CC=C)C(=O)[C@H](C)Sc1ncnc2c1cnn2-c1ccccc1 ZINC000021911199 1399422182 /nfs/dbraw/zinc/42/21/82/1399422182.db2.gz FBYVSYXHDGSSFA-HNNXBMFYSA-N 0 0 379.489 3.497 20 30 GGEDRN CCc1nc2ccc(C(=O)OCC(=O)Nc3sccc3C#N)cc2nc1CC ZINC000022003347 1399430102 /nfs/dbraw/zinc/43/01/02/1399430102.db2.gz WUUHDLYHBNPNGN-UHFFFAOYSA-N 0 0 394.456 3.483 20 30 GGEDRN COc1ccc2cc(CNC(=O)COc3ccc(C#N)cc3OC)ccc2c1 ZINC000022086008 1399435734 /nfs/dbraw/zinc/43/57/34/1399435734.db2.gz GZCQQDFAWCQECV-UHFFFAOYSA-N 0 0 376.412 3.424 20 30 GGEDRN C=CCn1c(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)nnc1-c1cccc(C)c1 ZINC000022093368 1399436417 /nfs/dbraw/zinc/43/64/17/1399436417.db2.gz UBUVPVUNKWDHJZ-RDJZCZTQSA-N 0 0 386.521 3.215 20 30 GGEDRN C=CCn1c(SCC(=O)N[C@@](C)(C#N)C2CC2)nnc1-c1cccc(C)c1 ZINC000022093590 1399436464 /nfs/dbraw/zinc/43/64/64/1399436464.db2.gz QRQWWJFBJNAJIM-FQEVSTJZSA-N 0 0 381.505 3.340 20 30 GGEDRN C#CCNC(=O)[C@H](C)OC(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000022107158 1399437553 /nfs/dbraw/zinc/43/75/53/1399437553.db2.gz OMYYNHYBWBIOQU-HNNXBMFYSA-N 0 0 377.396 3.307 20 30 GGEDRN Cc1nnc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)n1Cc1ccccc1 ZINC000022122306 1399438144 /nfs/dbraw/zinc/43/81/44/1399438144.db2.gz QIYPJLNZQOFZRF-HNNXBMFYSA-N 0 0 383.521 3.458 20 30 GGEDRN Cc1c2c(nc(SCC(=O)NC(=O)N[C@H]3CCCC[C@H]3C)c1C#N)CCC2 ZINC000022122645 1399438247 /nfs/dbraw/zinc/43/82/47/1399438247.db2.gz IJAXPBWFTLHWPX-WBMJQRKESA-N 0 0 386.521 3.247 20 30 GGEDRN Cc1c2c(nc(SCc3cccc(S(=O)(=O)N(C)C)c3)c1C#N)CCC2 ZINC000022122046 1399438313 /nfs/dbraw/zinc/43/83/13/1399438313.db2.gz MZOIYOWJBCYMIU-UHFFFAOYSA-N 0 0 387.530 3.293 20 30 GGEDRN C[C@H](OC(=O)COc1cccc2ccccc21)C(=O)NC1(C#N)CCCCC1 ZINC000022123079 1399438382 /nfs/dbraw/zinc/43/83/82/1399438382.db2.gz KJTRNFAEMWSHKQ-INIZCTEOSA-N 0 0 380.444 3.493 20 30 GGEDRN CC(=O)Nc1ccc(NC(=O)CSc2nc3c(c(C)c2C#N)CCC3)cc1 ZINC000022120900 1399438399 /nfs/dbraw/zinc/43/83/99/1399438399.db2.gz XDEUWBWZTMSOHR-UHFFFAOYSA-N 0 0 380.473 3.440 20 30 GGEDRN COc1ccc(Br)c(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000022126387 1399438951 /nfs/dbraw/zinc/43/89/51/1399438951.db2.gz VNLMSJTVWOFOCH-GTNSWQLSSA-N 0 0 397.269 3.057 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000022127442 1399438984 /nfs/dbraw/zinc/43/89/84/1399438984.db2.gz UBERYRCEMSIDFX-JLCFBVMHSA-N 0 0 382.460 3.450 20 30 GGEDRN N#CCN(C(=O)CSc1nncn1CCc1cccs1)c1ccccc1 ZINC000022133641 1399438996 /nfs/dbraw/zinc/43/89/96/1399438996.db2.gz UHEIXMZPYOGJOE-UHFFFAOYSA-N 0 0 383.502 3.231 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000022127441 1399439034 /nfs/dbraw/zinc/43/90/34/1399439034.db2.gz UBERYRCEMSIDFX-PEBXRYMYSA-N 0 0 382.460 3.450 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CSc1nc2ccccc2s1 ZINC000022138076 1399439640 /nfs/dbraw/zinc/43/96/40/1399439640.db2.gz QTSJEHNKOZOYGY-XIKOKIGWSA-N 0 0 391.518 3.375 20 30 GGEDRN COc1ccccc1-c1nnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n1C ZINC000022137228 1399439709 /nfs/dbraw/zinc/43/97/09/1399439709.db2.gz UFAMIGQJWGWMQN-BFUOFWGJSA-N 0 0 387.509 3.026 20 30 GGEDRN Cc1sc2nc(CS[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)[nH]c(=O)c2c1C ZINC000022139189 1399439787 /nfs/dbraw/zinc/43/97/87/1399439787.db2.gz CXTSSWNGTDZIHX-KPZWWZAWSA-N 0 0 392.550 3.278 20 30 GGEDRN COc1ccccc1-c1nnc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n1C ZINC000022137224 1399439922 /nfs/dbraw/zinc/43/99/22/1399439922.db2.gz UFAMIGQJWGWMQN-YJYMSZOUSA-N 0 0 387.509 3.026 20 30 GGEDRN C=CCn1c(SCC(=O)N2CCc3sccc3C2)nnc1-c1ccco1 ZINC000022136216 1399439952 /nfs/dbraw/zinc/43/99/52/1399439952.db2.gz BDQNTJVIFUQTHG-UHFFFAOYSA-N 0 0 386.502 3.463 20 30 GGEDRN Cc1cccc(C)c1OCC(=O)OCC(=O)Nc1ccccc1SCC#N ZINC000022158102 1399440960 /nfs/dbraw/zinc/44/09/60/1399440960.db2.gz VNNUNYGTJQSYCD-UHFFFAOYSA-N 0 0 384.457 3.480 20 30 GGEDRN CC(C)c1ccc(-n2nnnc2S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000022166228 1399441772 /nfs/dbraw/zinc/44/17/72/1399441772.db2.gz NIKQINCSFXAICG-AUUYWEPGSA-N 0 0 386.525 3.321 20 30 GGEDRN N#Cc1ccc(OCCOC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000022162282 1399441790 /nfs/dbraw/zinc/44/17/90/1399441790.db2.gz JUPNDNCUFJEHHW-UHFFFAOYSA-N 0 0 393.443 3.424 20 30 GGEDRN COc1ccccc1[C@H](C)NC(=O)CON=C(N)C12CC3CC(CC(C3)C1)C2 ZINC000022184980 1399442296 /nfs/dbraw/zinc/44/22/96/1399442296.db2.gz LUGMNBMROCTRKM-HIGJEIRPSA-N 0 0 385.508 3.378 20 30 GGEDRN C[C@@H](NC(=O)CON=C(N)c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000022183487 1399442589 /nfs/dbraw/zinc/44/25/89/1399442589.db2.gz SOHKWYWIKCDWTJ-LLVKDONJSA-N 0 0 394.244 3.103 20 30 GGEDRN CC(C)OC(=O)C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccccc1[N+](=O)[O-] ZINC000022187905 1399442643 /nfs/dbraw/zinc/44/26/43/1399442643.db2.gz FWVOJIFSRNIWFA-QGZVFWFLSA-N 0 0 381.388 3.279 20 30 GGEDRN C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000022243679 1399446806 /nfs/dbraw/zinc/44/68/06/1399446806.db2.gz KTZZQJZOPGQYKV-CYBMUJFWSA-N 0 0 375.425 3.139 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000022286425 1399450152 /nfs/dbraw/zinc/45/01/52/1399450152.db2.gz WSIHDVPBODONGB-BUXKBTBVSA-N 0 0 388.855 3.330 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000022286423 1399450366 /nfs/dbraw/zinc/45/03/66/1399450366.db2.gz WSIHDVPBODONGB-CWTRNNRKSA-N 0 0 388.855 3.330 20 30 GGEDRN C[C@@H]1CN(Cc2csc(NC(=O)CCc3ccc(C#N)cc3)n2)C[C@@H](C)O1 ZINC000022304174 1399453533 /nfs/dbraw/zinc/45/35/33/1399453533.db2.gz OJRPTIWITGRLDS-HUUCEWRRSA-N 0 0 384.505 3.195 20 30 GGEDRN COc1cc(/C=N/OCC(=O)N2CCc3sccc3C2)ccc1OC(F)F ZINC000022317213 1399455226 /nfs/dbraw/zinc/45/52/26/1399455226.db2.gz SKBGEUGYKUQGOS-ZVBGSRNCSA-N 0 0 396.415 3.294 20 30 GGEDRN C=CCNc1nnc(S[C@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)s1 ZINC000022348019 1399455589 /nfs/dbraw/zinc/45/55/89/1399455589.db2.gz WJCWNYKMANMHMN-LLVKDONJSA-N 0 0 396.513 3.423 20 30 GGEDRN Cc1nc(C)c(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000022380758 1399459262 /nfs/dbraw/zinc/45/92/62/1399459262.db2.gz ACJLSEIMZQPPEA-SECBINFHSA-N 0 0 375.475 3.366 20 30 GGEDRN C=CCc1ccc(OCC(=O)O[C@@H](C)C(=O)NC2CCC(C)CC2)c(OC)c1 ZINC000022387798 1399460288 /nfs/dbraw/zinc/46/02/88/1399460288.db2.gz ZBEKACZJQLZIIM-PQUAAJSLSA-N 0 0 389.492 3.429 20 30 GGEDRN Cc1c(NC(=O)[C@H](C)OC(=O)[C@H](C)Oc2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000022401566 1399461046 /nfs/dbraw/zinc/46/10/46/1399461046.db2.gz VVWFGOWSQYWBNY-KBPBESRZSA-N 0 0 397.387 3.113 20 30 GGEDRN Cc1ccc([C@@H](NC(=O)COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)C2CC2)cc1 ZINC000022401699 1399461110 /nfs/dbraw/zinc/46/11/10/1399461110.db2.gz ZVHBYVWIVNORPQ-OPAMFIHVSA-N 0 0 392.455 3.445 20 30 GGEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000022401731 1399461119 /nfs/dbraw/zinc/46/11/19/1399461119.db2.gz TXXOXHLTHMXSME-QVKFZJNVSA-N 0 0 378.428 3.136 20 30 GGEDRN Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000022401564 1399461127 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ZINC000029858346 1400366443 /nfs/dbraw/zinc/36/64/43/1400366443.db2.gz FZKPVDUPPACIDD-MRXNPFEDSA-N 0 0 396.466 3.164 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000029859498 1400367021 /nfs/dbraw/zinc/36/70/21/1400367021.db2.gz WFVQNSIECPUDDR-QHCPKHFHSA-N 0 0 392.478 3.087 20 30 GGEDRN CN(CC(=O)Nc1cccc(Cl)c1)CC(=O)N(CCC#N)c1ccccc1 ZINC000029860766 1400367060 /nfs/dbraw/zinc/36/70/60/1400367060.db2.gz UAWNDNBIEOQSPJ-UHFFFAOYSA-N 0 0 384.867 3.157 20 30 GGEDRN Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000029859538 1400367220 /nfs/dbraw/zinc/36/72/20/1400367220.db2.gz SZIKMGVFXRSCAJ-HNNXBMFYSA-N 0 0 384.430 3.294 20 30 GGEDRN C=CCOc1ccc(C(=O)NCCc2nccn2Cc2ccccc2)cc1OC ZINC000029870850 1400369308 /nfs/dbraw/zinc/36/93/08/1400369308.db2.gz OYPAVWJEZIGBDQ-UHFFFAOYSA-N 0 0 391.471 3.477 20 30 GGEDRN C=CCn1c(SCCS(=O)(=O)c2ccccc2)nnc1-c1ccco1 ZINC000029914377 1400377476 /nfs/dbraw/zinc/37/74/76/1400377476.db2.gz MMZKZZNWJQOGIF-UHFFFAOYSA-N 0 0 375.475 3.290 20 30 GGEDRN N#CCc1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000055843299 1407101551 /nfs/dbraw/zinc/10/15/51/1407101551.db2.gz XRPOEFRHLUJESA-UHFFFAOYSA-N 0 0 376.319 3.313 20 30 GGEDRN Cc1ccc2cc(C(=O)Nc3cccc(S(=O)(=O)N=C4CCCN4)c3)[nH]c2c1 ZINC000029967536 1400389469 /nfs/dbraw/zinc/38/94/69/1400389469.db2.gz HBYGWLKNPMZWRN-UHFFFAOYSA-N 0 0 396.472 3.199 20 30 GGEDRN Cc1cc(C)cc(OCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000029983830 1400391717 /nfs/dbraw/zinc/39/17/17/1400391717.db2.gz AUDCPLTWGZLVJK-UHFFFAOYSA-N 0 0 377.488 3.288 20 30 GGEDRN Cc1c(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cnn1-c1ccccc1 ZINC000029985574 1400391884 /nfs/dbraw/zinc/39/18/84/1400391884.db2.gz RSEJASUBPMWDSQ-UHFFFAOYSA-N 0 0 399.498 3.401 20 30 GGEDRN CCc1ccc(OCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000029983857 1400391954 /nfs/dbraw/zinc/39/19/54/1400391954.db2.gz YIVMFXGTQOFAPB-UHFFFAOYSA-N 0 0 377.488 3.234 20 30 GGEDRN Cc1nc(-c2c[nH]c(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)c2)cs1 ZINC000030019869 1400399915 /nfs/dbraw/zinc/39/99/15/1400399915.db2.gz WFCLZUOVBNKYTF-UHFFFAOYSA-N 0 0 391.500 3.276 20 30 GGEDRN CCN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741689 1400407070 /nfs/dbraw/zinc/40/70/70/1400407070.db2.gz ZSGDLHATSSHVRD-MRXNPFEDSA-N 0 0 378.476 3.282 20 30 GGEDRN C[C@](C#N)(NC(=O)CNc1ccc(Cl)cc1NC(=O)c1ccco1)C1CC1 ZINC000055852908 1407103911 /nfs/dbraw/zinc/10/39/11/1407103911.db2.gz HYWZETAMRAXXPK-LJQANCHMSA-N 0 0 386.839 3.406 20 30 GGEDRN N#Cc1ccccc1COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000042882954 1400427316 /nfs/dbraw/zinc/42/73/16/1400427316.db2.gz LMUPJKRREMWSSD-UHFFFAOYSA-N 0 0 398.466 3.495 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NCc2nc(-c3ccccc3)no2)cc1 ZINC000055863376 1407107464 /nfs/dbraw/zinc/10/74/64/1407107464.db2.gz FXSPYAPXEFEVTL-UHFFFAOYSA-N 0 0 384.461 3.155 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NCc2nc(Cc3ccccc3)no2)cc1 ZINC000055863126 1407107532 /nfs/dbraw/zinc/10/75/32/1407107532.db2.gz VGOZVVSMXPFDLP-UHFFFAOYSA-N 0 0 398.488 3.079 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NCc2nc(-c3ccsc3)no2)cc1 ZINC000055863387 1407107765 /nfs/dbraw/zinc/10/77/65/1407107765.db2.gz ZTZLXOLDKMOFSX-UHFFFAOYSA-N 0 0 390.490 3.217 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccccc2CC)cc1 ZINC000055863497 1407107969 /nfs/dbraw/zinc/10/79/69/1407107969.db2.gz PKUJAQNURUECNF-UHFFFAOYSA-N 0 0 387.505 3.106 20 30 GGEDRN N#Cc1cccc(NC(=O)CNc2ccc(Cl)cc2C(=O)N2CCCC2)c1 ZINC000055866815 1407108806 /nfs/dbraw/zinc/10/88/06/1407108806.db2.gz BFEFRXBHVTVWDK-UHFFFAOYSA-N 0 0 382.851 3.498 20 30 GGEDRN C=CCN(CC=C)C(=O)CNc1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000055868334 1407109177 /nfs/dbraw/zinc/10/91/77/1407109177.db2.gz DNSGSPFQTOFZMV-UHFFFAOYSA-N 0 0 381.451 3.368 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)CNc1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000055868642 1407109388 /nfs/dbraw/zinc/10/93/88/1407109388.db2.gz CXWGXHBVXCWYAK-QFIPXVFZSA-N 0 0 396.466 3.222 20 30 GGEDRN Cc1ccc(C(=O)Nc2ccccc2)cc1NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000055856413 1407105367 /nfs/dbraw/zinc/10/53/67/1407105367.db2.gz BBFHZCVNEHROEH-JOCHJYFZSA-N 0 0 376.460 3.468 20 30 GGEDRN C[C@@](C#N)(NC(=O)CNc1ccc(F)c(NC(=O)Cc2ccccc2)c1)C1CC1 ZINC000055874723 1407113376 /nfs/dbraw/zinc/11/33/76/1407113376.db2.gz PTFJYMTZVQFBJJ-QFIPXVFZSA-N 0 0 394.450 3.227 20 30 GGEDRN CN(C)C(=O)c1ccc(NC(=O)CNc2cccc(OCCCC#N)c2)cc1 ZINC000055876870 1407114172 /nfs/dbraw/zinc/11/41/72/1407114172.db2.gz RGZNUUWBFLCGDF-UHFFFAOYSA-N 0 0 380.448 3.122 20 30 GGEDRN N#CCCCOc1cccc(NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000055876805 1407114532 /nfs/dbraw/zinc/11/45/32/1407114532.db2.gz KOBQAYHSKDVTIK-UHFFFAOYSA-N 0 0 392.459 3.312 20 30 GGEDRN CN(C(=O)c1cccc(NCC(=O)N[C@](C)(C#N)C2CC2)c1)c1ccccc1 ZINC000055880593 1407116294 /nfs/dbraw/zinc/11/62/94/1407116294.db2.gz JGVJMCGYHSVFCQ-JOCHJYFZSA-N 0 0 376.460 3.184 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)CNc1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000055880610 1407116324 /nfs/dbraw/zinc/11/63/24/1407116324.db2.gz BQAPTLAUFXUKHE-JOCHJYFZSA-N 0 0 378.476 3.430 20 30 GGEDRN N#Cc1ccc(OCCNc2ccc(C(=O)N3CCOCC3)c(Cl)c2)cc1 ZINC000055880400 1407116393 /nfs/dbraw/zinc/11/63/93/1407116393.db2.gz TYWPCACURRTHEF-UHFFFAOYSA-N 0 0 385.851 3.175 20 30 GGEDRN CN(C(=O)Cc1ccc(NCC(=O)N[C@](C)(C#N)C2CC2)cc1)c1ccccc1 ZINC000055882577 1407117413 /nfs/dbraw/zinc/11/74/13/1407117413.db2.gz DHOOCGYCWKFSHK-HSZRJFAPSA-N 0 0 390.487 3.112 20 30 GGEDRN Cc1c(NCC(=O)N[C@](C)(C#N)C2CC2)cccc1NC(=O)c1ccccc1 ZINC000055884779 1407117993 /nfs/dbraw/zinc/11/79/93/1407117993.db2.gz DBELKRQOPIAISC-JOCHJYFZSA-N 0 0 376.460 3.468 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000055891565 1407120315 /nfs/dbraw/zinc/12/03/15/1407120315.db2.gz KYJZMZSPYQVTFK-UHFFFAOYSA-N 0 0 393.418 3.209 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)CCN1c2ccccc2OCC1=O ZINC000055891453 1407120423 /nfs/dbraw/zinc/12/04/23/1407120423.db2.gz FJGAWCJAXLFHPD-UHFFFAOYSA-N 0 0 380.444 3.026 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000055891403 1407120695 /nfs/dbraw/zinc/12/06/95/1407120695.db2.gz KCXYJTAVVPYRGT-UHFFFAOYSA-N 0 0 379.460 3.019 20 30 GGEDRN CC1CCN(C(=O)c2ccccc2NCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000055893318 1407121680 /nfs/dbraw/zinc/12/16/80/1407121680.db2.gz HYQLOEHABBBGSL-UHFFFAOYSA-N 0 0 376.460 3.481 20 30 GGEDRN COC(=O)COc1ccc(NCC(=O)Nc2ccccc2SCC#N)c(C)c1 ZINC000055893077 1407121947 /nfs/dbraw/zinc/12/19/47/1407121947.db2.gz APTVFVSJBKVOIH-UHFFFAOYSA-N 0 0 399.472 3.213 20 30 GGEDRN C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OCC)c(F)c2)ccc1F ZINC000055919283 1407134146 /nfs/dbraw/zinc/13/41/46/1407134146.db2.gz XHFIIEHOIRNJEG-UHFFFAOYSA-N 0 0 396.415 3.080 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000055945151 1407142248 /nfs/dbraw/zinc/14/22/48/1407142248.db2.gz ADQQXUDUFBTSBR-GHTZIAJQSA-N 0 0 384.407 3.121 20 30 GGEDRN COc1ccc(CCNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000055945763 1407143213 /nfs/dbraw/zinc/14/32/13/1407143213.db2.gz WWPKWKFWEOGCES-UHFFFAOYSA-N 0 0 384.379 3.107 20 30 GGEDRN COc1c(F)cc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1F ZINC000055948298 1407144312 /nfs/dbraw/zinc/14/43/12/1407144312.db2.gz PQBRJJJKZUCURT-UHFFFAOYSA-N 0 0 385.374 3.076 20 30 GGEDRN COc1ccccc1CCNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055972534 1407154265 /nfs/dbraw/zinc/15/42/65/1407154265.db2.gz FEHYTYMTBLBONL-UHFFFAOYSA-N 0 0 384.379 3.107 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(Oc2ccccc2)CC1 ZINC000055975362 1407155342 /nfs/dbraw/zinc/15/53/42/1407155342.db2.gz OZIBIIPGRDTBLF-UHFFFAOYSA-N 0 0 380.492 3.416 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCCCOc2ccccc2)c(C(F)(F)F)c1 ZINC000055991023 1407164189 /nfs/dbraw/zinc/16/41/89/1407164189.db2.gz UTPQJVBDKZTSDX-UHFFFAOYSA-N 0 0 384.379 3.324 20 30 GGEDRN Cc1cccc([C@@H]2CCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC000056002168 1407168561 /nfs/dbraw/zinc/16/85/61/1407168561.db2.gz QXEFKQMCETXJDP-FQEVSTJZSA-N 0 0 382.485 3.145 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(C(F)(F)F)c1 ZINC000056005222 1407169135 /nfs/dbraw/zinc/16/91/35/1407169135.db2.gz YUJXIPSUIHBHNQ-UHFFFAOYSA-N 0 0 397.334 3.237 20 30 GGEDRN CN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000056041616 1407180563 /nfs/dbraw/zinc/18/05/63/1407180563.db2.gz NIJDRBWQXGJICN-UHFFFAOYSA-N 0 0 379.363 3.269 20 30 GGEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000056049299 1407181925 /nfs/dbraw/zinc/18/19/25/1407181925.db2.gz YZNKEBMEXLXRNV-NSHDSACASA-N 0 0 379.363 3.488 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000056041673 1407180337 /nfs/dbraw/zinc/18/03/37/1407180337.db2.gz YGKZACPSCYTDAB-UHFFFAOYSA-N 0 0 379.363 3.269 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)NCc2ccnc(OCc3ccccc3)c2)c1 ZINC000056060849 1407185514 /nfs/dbraw/zinc/18/55/14/1407185514.db2.gz AWHXXXQDRUPONT-UHFFFAOYSA-N 0 0 379.441 3.011 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCc2cccc(OCc3ccccn3)c2)cc1 ZINC000056064013 1407186891 /nfs/dbraw/zinc/18/68/91/1407186891.db2.gz AQSKNEJHJYGCBB-UHFFFAOYSA-N 0 0 379.441 3.011 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000056073419 1407191092 /nfs/dbraw/zinc/19/10/92/1407191092.db2.gz YSNYCVAENLCDPH-UHFFFAOYSA-N 0 0 390.411 3.120 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(OCCOC)cc1 ZINC000056067627 1407188969 /nfs/dbraw/zinc/18/89/69/1407188969.db2.gz KIGKRXAJHZTTJS-UHFFFAOYSA-N 0 0 388.489 3.184 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(=O)OCC)cc1 ZINC000056067706 1407189058 /nfs/dbraw/zinc/18/90/58/1407189058.db2.gz CKGIJNDOFBDJNV-UHFFFAOYSA-N 0 0 386.473 3.336 20 30 GGEDRN CCCS(=O)(=O)CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000056083710 1407196946 /nfs/dbraw/zinc/19/69/46/1407196946.db2.gz UJFFYCDXUGZLTO-UHFFFAOYSA-N 0 0 388.464 3.051 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)c2ccccc2N(C)C(=O)C2CC2)cc1 ZINC000056102194 1407203842 /nfs/dbraw/zinc/20/38/42/1407203842.db2.gz YTWMXNZQTAPZOW-UHFFFAOYSA-N 0 0 377.444 3.228 20 30 GGEDRN CCOc1cc(CNS(=O)(=O)c2ccc(C#N)cc2)ccc1OC(F)F ZINC000056102966 1407205030 /nfs/dbraw/zinc/20/50/30/1407205030.db2.gz AXTLDROBVSVZOT-UHFFFAOYSA-N 0 0 382.388 3.037 20 30 GGEDRN CCOc1cc(CNS(=O)(=O)c2cccc(C#N)c2)ccc1OC(F)F ZINC000056102965 1407205182 /nfs/dbraw/zinc/20/51/82/1407205182.db2.gz BHRLISYAHYQXPA-UHFFFAOYSA-N 0 0 382.388 3.037 20 30 GGEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 ZINC000056119642 1407213092 /nfs/dbraw/zinc/21/30/92/1407213092.db2.gz YPVOFFWJCFDAPU-MRXNPFEDSA-N 0 0 392.459 3.270 20 30 GGEDRN CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)c1C#N ZINC000056131164 1407218254 /nfs/dbraw/zinc/21/82/54/1407218254.db2.gz SUNUVHKFDPQTQI-ZDUSSCGKSA-N 0 0 383.477 3.264 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000056127512 1407216428 /nfs/dbraw/zinc/21/64/28/1407216428.db2.gz ZKTAOYWSOFXHBI-LJQANCHMSA-N 0 0 388.464 3.267 20 30 GGEDRN C[C@@H](Nc1ccc(N2C(=O)CCCC2=O)cc1)C(=O)Nc1ccccc1C#N ZINC000056144917 1407224780 /nfs/dbraw/zinc/22/47/80/1407224780.db2.gz MTPIOFCOYGGTPR-CQSZACIVSA-N 0 0 376.416 3.041 20 30 GGEDRN CC[C@@]1(c2ccc(NC(=O)c3ccc(/C=N/OC)cc3)cc2)CCC(=O)NC1=O ZINC000056165459 1407236111 /nfs/dbraw/zinc/23/61/11/1407236111.db2.gz LYVORMSTEZOPIJ-DHNIJCFSSA-N 0 0 393.443 3.004 20 30 GGEDRN CC[C@]1(c2ccc(NC(=O)c3ccc(/C=N/OC)cc3)cc2)CCC(=O)NC1=O ZINC000056165458 1407236538 /nfs/dbraw/zinc/23/65/38/1407236538.db2.gz LYVORMSTEZOPIJ-ZZAWEDPDSA-N 0 0 393.443 3.004 20 30 GGEDRN CNC(=O)c1cccc(NC(=O)[C@H](C)Nc2cccc(OCCCC#N)c2)c1 ZINC000056199553 1407248377 /nfs/dbraw/zinc/24/83/77/1407248377.db2.gz YDNQTDWIXSQXKS-HNNXBMFYSA-N 0 0 380.448 3.168 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c1 ZINC000056212644 1407254032 /nfs/dbraw/zinc/25/40/32/1407254032.db2.gz FWBLHFDRMBRMGX-UHFFFAOYSA-N 0 0 399.472 3.062 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000056212882 1407253704 /nfs/dbraw/zinc/25/37/04/1407253704.db2.gz XNGDLEOZZDMUBG-OAHLLOKOSA-N 0 0 381.407 3.476 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000056213198 1407253717 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C#Cc1cccc(NC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1 ZINC000043984285 1403855356 /nfs/dbraw/zinc/85/53/56/1403855356.db2.gz OOWKBTMQGAXVIO-UHFFFAOYSA-N 0 0 397.500 3.164 20 30 GGEDRN N#Cc1ccnc(N2CCN(C(=O)Nc3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000044017914 1403861950 /nfs/dbraw/zinc/86/19/50/1403861950.db2.gz PPQFTXWTVYQSJT-UHFFFAOYSA-N 0 0 391.353 3.206 20 30 GGEDRN CN(C)S(=O)(=O)c1cccc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000044027784 1403862344 /nfs/dbraw/zinc/86/23/44/1403862344.db2.gz UUVGPZCSZVGGHE-VQHVLOKHSA-N 0 0 394.836 3.395 20 30 GGEDRN CSc1nc(C2CC2)cc(C(=O)NCc2ccnc(N3CCCC3)c2)c1C#N ZINC000044024460 1403862422 /nfs/dbraw/zinc/86/24/22/1403862422.db2.gz KCHPOTJMTAHWCN-UHFFFAOYSA-N 0 0 393.516 3.478 20 30 GGEDRN CN(C)S(=O)(=O)c1cccc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)c1 ZINC000044027729 1403862468 /nfs/dbraw/zinc/86/24/68/1403862468.db2.gz LUQMBICOYXFVMM-VAWYXSNFSA-N 0 0 381.457 3.019 20 30 GGEDRN CCOc1ccc(/C=C/C(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1OC ZINC000044027827 1403863032 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GGEDRN C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC)c1 ZINC000045164138 1404067672 /nfs/dbraw/zinc/06/76/72/1404067672.db2.gz QAWSYSHDYQCGMF-UHFFFAOYSA-N 0 0 394.880 3.090 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000045197582 1404073302 /nfs/dbraw/zinc/07/33/02/1404073302.db2.gz UUVOVADWZOWUEC-UHFFFAOYSA-N 0 0 385.414 3.265 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc3ccccc3c2)c1 ZINC000045201927 1404074663 /nfs/dbraw/zinc/07/46/63/1404074663.db2.gz YTXAXFARILUQTJ-UHFFFAOYSA-N 0 0 380.469 3.234 20 30 GGEDRN N#Cc1cccc(CNC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)c1 ZINC000045213331 1404075665 /nfs/dbraw/zinc/07/56/65/1404075665.db2.gz GPTIQVXSNUHEDL-UHFFFAOYSA-N 0 0 397.434 3.404 20 30 GGEDRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCc2cccc(C#N)c2)cc1 ZINC000045213433 1404075789 /nfs/dbraw/zinc/07/57/89/1404075789.db2.gz GEOGWJQFTWIYTE-MRXNPFEDSA-N 0 0 397.500 3.051 20 30 GGEDRN C[C@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccc(C#N)cc1 ZINC000045218613 1404076309 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379.460 3.185 20 30 GGEDRN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)c1cccc(CC#N)c1 ZINC000046404993 1404403339 /nfs/dbraw/zinc/40/33/39/1404403339.db2.gz WHQHCJLULSCFME-UHFFFAOYSA-N 0 0 385.489 3.342 20 30 GGEDRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000046418836 1404407971 /nfs/dbraw/zinc/40/79/71/1404407971.db2.gz GXAFWGIRCDDORN-QGZVFWFLSA-N 0 0 383.835 3.464 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000046417934 1404408181 /nfs/dbraw/zinc/40/81/81/1404408181.db2.gz PIHZLNMYIQNBPA-UHFFFAOYSA-N 0 0 377.492 3.235 20 30 GGEDRN C=CCc1ccc(OC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c(OC)c1 ZINC000046431370 1404412188 /nfs/dbraw/zinc/41/21/88/1404412188.db2.gz OPNZGOMRTGXACX-UHFFFAOYSA-N 0 0 390.443 3.493 20 30 GGEDRN C[C@@H]1CN(Cc2ccc(C(=O)N(C)Cc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000046437290 1404414720 /nfs/dbraw/zinc/41/47/20/1404414720.db2.gz CWSJOJAQSGWNAK-HDICACEKSA-N 0 0 377.488 3.440 20 30 GGEDRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(C)Cc3ccc(C#N)cc3)C2)cc1 ZINC000046436954 1404414907 /nfs/dbraw/zinc/41/49/07/1404414907.db2.gz WLOUPXSOYAQZKE-NRFANRHFSA-N 0 0 375.472 3.378 20 30 GGEDRN C[C@@H]1CN(Cc2ccc(C(=O)N(C)Cc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 ZINC000046437292 1404414945 /nfs/dbraw/zinc/41/49/45/1404414945.db2.gz CWSJOJAQSGWNAK-QZTJIDSGSA-N 0 0 377.488 3.440 20 30 GGEDRN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NCc1cccc(C#N)c1 ZINC000046437024 1404415034 /nfs/dbraw/zinc/41/50/34/1404415034.db2.gz PPGLFRDEZBUULB-SFHVURJKSA-N 0 0 397.862 3.141 20 30 GGEDRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)C(C#N)c2ccccn2)cc1 ZINC000046440187 1404415837 /nfs/dbraw/zinc/41/58/37/1404415837.db2.gz BTPMEHPMIRQHGR-IBGZPJMESA-N 0 0 391.452 3.397 20 30 GGEDRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)C(C#N)c3ccccn3)cc2)C1 ZINC000046440346 1404415878 /nfs/dbraw/zinc/41/58/78/1404415878.db2.gz QOLAIBYEFYLRRJ-MDZRGWNJSA-N 0 0 397.500 3.238 20 30 GGEDRN CCN(CC)S(=O)(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c1 ZINC000046440654 1404416809 /nfs/dbraw/zinc/41/68/09/1404416809.db2.gz IMNXULLTCKAMAX-MRXNPFEDSA-N 0 0 396.472 3.083 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCc2cc(F)ccc21 ZINC000046443087 1404417794 /nfs/dbraw/zinc/41/77/94/1404417794.db2.gz LVLRWUMMTWHYFZ-UHFFFAOYSA-N 0 0 377.423 3.269 20 30 GGEDRN N#Cc1ccc(CN2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)cc1 ZINC000046455577 1404423795 /nfs/dbraw/zinc/42/37/95/1404423795.db2.gz GHVMZBHZQIUIQF-UHFFFAOYSA-N 0 0 389.434 3.045 20 30 GGEDRN C[C@@H](NC(=O)N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(C#N)cc1 ZINC000046458613 1404426175 /nfs/dbraw/zinc/42/61/75/1404426175.db2.gz KSUSRHILRATVRP-OXQOHEQNSA-N 0 0 376.460 3.282 20 30 GGEDRN CC(=O)Nc1cccc(-n2cnn(CN(C)Cc3ccc(C#N)cc3)c2=S)c1 ZINC000046477466 1404435828 /nfs/dbraw/zinc/43/58/28/1404435828.db2.gz BNRYRPVDQGUZJT-UHFFFAOYSA-N 0 0 392.488 3.323 20 30 GGEDRN C/C(=C/C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)c1ccccc1 ZINC000056715109 1407405437 /nfs/dbraw/zinc/40/54/37/1407405437.db2.gz MEJUYZBLVHTSIA-ICFOKQHNSA-N 0 0 385.471 3.478 20 30 GGEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)C=C(C1CC1)C1CC1 ZINC000056715082 1407405678 /nfs/dbraw/zinc/40/56/78/1407405678.db2.gz ILAJXAAPXYZJBZ-UHFFFAOYSA-N 0 0 375.476 3.121 20 30 GGEDRN CN(CC(=O)N1c2ccccc2NC(=O)C12CCCC2)Cc1cccc(C#N)c1 ZINC000046518347 1404457833 /nfs/dbraw/zinc/45/78/33/1404457833.db2.gz XHLGBSIAWRJBRO-UHFFFAOYSA-N 0 0 388.471 3.288 20 30 GGEDRN CN(CC(=O)N1c2ccccc2NC(=O)C12CCCC2)Cc1ccc(C#N)cc1 ZINC000046528798 1404464241 /nfs/dbraw/zinc/46/42/41/1404464241.db2.gz QWHJAQYSJHCHGD-UHFFFAOYSA-N 0 0 388.471 3.288 20 30 GGEDRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN(C)Cc1ccc(C#N)cc1 ZINC000046527708 1404464460 /nfs/dbraw/zinc/46/44/60/1404464460.db2.gz ZNFUUJUCTGRAHL-UHFFFAOYSA-N 0 0 381.476 3.056 20 30 GGEDRN CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000046529652 1404465289 /nfs/dbraw/zinc/46/52/89/1404465289.db2.gz ZISKKABKMZBFOL-UHFFFAOYSA-N 0 0 385.389 3.177 20 30 GGEDRN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N(C)Cc1ccc(C#N)cc1 ZINC000046530164 1404465602 /nfs/dbraw/zinc/46/56/02/1404465602.db2.gz QNSXIMYZUPUZLD-JKSUJKDBSA-N 0 0 379.460 3.027 20 30 GGEDRN COc1ccc(CN(C)C(=O)[C@@H](C)N(C)Cc2ccc(C#N)cc2)cc1OC ZINC000046530233 1404465698 /nfs/dbraw/zinc/46/56/98/1404465698.db2.gz NDYJSPPYIRENPE-MRXNPFEDSA-N 0 0 381.476 3.054 20 30 GGEDRN CC[C@H](C)NC(=O)c1cccc(CNC(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000046532028 1404466542 /nfs/dbraw/zinc/46/65/42/1404466542.db2.gz ZTGMJVSILPQXKT-INIZCTEOSA-N 0 0 378.476 3.428 20 30 GGEDRN N#Cc1ccccc1N1CCCN(C(=O)Nc2cccc3c2OCCO3)CC1 ZINC000056720486 1407407745 /nfs/dbraw/zinc/40/77/45/1407407745.db2.gz ZNGDQKLVAJWSQX-UHFFFAOYSA-N 0 0 378.432 3.074 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(C(=O)OCC)cc2)cc1 ZINC000056720173 1407407759 /nfs/dbraw/zinc/40/77/59/1407407759.db2.gz RFUXPMAWPYBBIK-UHFFFAOYSA-N 0 0 381.432 3.101 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)COc2ccc(F)cc2F)cc1 ZINC000056720203 1407407801 /nfs/dbraw/zinc/40/78/01/1407407801.db2.gz JIJDNPWBLVGSEQ-CYBMUJFWSA-N 0 0 389.402 3.470 20 30 GGEDRN C[C@H](NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000046579817 1404491060 /nfs/dbraw/zinc/49/10/60/1404491060.db2.gz RZGWRYFTVDAIOV-LBPRGKRZSA-N 0 0 375.350 3.184 20 30 GGEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CCc2ccccc2)CC1 ZINC000046582336 1404492728 /nfs/dbraw/zinc/49/27/28/1404492728.db2.gz BITRTUVPSNYISI-UHFFFAOYSA-N 0 0 376.416 3.088 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(C(=O)N(C)C)c1 ZINC000046606543 1404505546 /nfs/dbraw/zinc/50/55/46/1404505546.db2.gz CCGFHYBOGVLXFI-UHFFFAOYSA-N 0 0 378.476 3.382 20 30 GGEDRN CCOc1cc(CNC(=O)COc2cccc(C#N)c2)ccc1OC(F)F ZINC000046609892 1404507268 /nfs/dbraw/zinc/50/72/68/1404507268.db2.gz USVBQXGZPISSNR-UHFFFAOYSA-N 0 0 376.359 3.254 20 30 GGEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 ZINC000046623332 1404516143 /nfs/dbraw/zinc/51/61/43/1404516143.db2.gz MTGMKXFSFYGRTO-GOSISDBHSA-N 0 0 376.460 3.192 20 30 GGEDRN C=CCOc1cccc(NC(=O)NCc2cccc(OCC(=O)N(C)C)c2)c1 ZINC000056728825 1407410491 /nfs/dbraw/zinc/41/04/91/1407410491.db2.gz IIXPAVPMWLPPMX-UHFFFAOYSA-N 0 0 383.448 3.040 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)NCc2ccc(C(=O)NCC)cc2)cc1OC ZINC000046637126 1404522269 /nfs/dbraw/zinc/52/22/69/1404522269.db2.gz BVBQFPDEEJZYCU-UKTHLTGXSA-N 0 0 394.471 3.339 20 30 GGEDRN C[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000046646922 1404530035 /nfs/dbraw/zinc/53/00/35/1404530035.db2.gz VFLMFYSSHKWXCQ-AWEZNQCLSA-N 0 0 378.432 3.098 20 30 GGEDRN C#Cc1cccc(NC(=O)N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000046646701 1404530049 /nfs/dbraw/zinc/53/00/49/1404530049.db2.gz LMPKNHVNHKHVMM-HNNXBMFYSA-N 0 0 377.444 3.208 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)C(=O)NCc1ccccc1 ZINC000056730260 1407411228 /nfs/dbraw/zinc/41/12/28/1407411228.db2.gz ITQAYCJOMKPAFU-OAHLLOKOSA-N 0 0 380.448 3.172 20 30 GGEDRN C=CCOc1ccccc1C(=O)N1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 ZINC000046649170 1404533197 /nfs/dbraw/zinc/53/31/97/1404533197.db2.gz WJHNBFLMIMEHAF-UHFFFAOYSA-N 0 0 394.471 3.167 20 30 GGEDRN COC(=O)COc1ccc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)cc1 ZINC000046662391 1404539344 /nfs/dbraw/zinc/53/93/44/1404539344.db2.gz MHVCUTPRYURWJZ-UHFFFAOYSA-N 0 0 397.456 3.357 20 30 GGEDRN COC(=O)C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000046693402 1404554751 /nfs/dbraw/zinc/55/47/51/1404554751.db2.gz WSGSRFOKPRMSLC-MRXNPFEDSA-N 0 0 392.333 3.491 20 30 GGEDRN Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000046694143 1404555575 /nfs/dbraw/zinc/55/55/75/1404555575.db2.gz JENGZTSCPSXKKG-UHFFFAOYSA-N 0 0 380.370 3.421 20 30 GGEDRN N#Cc1ccc(CCC(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)cc1 ZINC000046697011 1404555963 /nfs/dbraw/zinc/55/59/63/1404555963.db2.gz LBBZSVMNMQATAZ-UHFFFAOYSA-N 0 0 377.444 3.131 20 30 GGEDRN C=CCOc1ccc(C(=O)NCc2cnn(Cc3ccccc3)c2)cc1OC ZINC000046700106 1404557186 /nfs/dbraw/zinc/55/71/86/1404557186.db2.gz URUMKIHKLIJSIX-UHFFFAOYSA-N 0 0 377.444 3.435 20 30 GGEDRN N#C[C@H](C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccccn1 ZINC000046705957 1404558856 /nfs/dbraw/zinc/55/88/56/1404558856.db2.gz LQYTZLVBUUZUJP-IBGZPJMESA-N 0 0 381.391 3.368 20 30 GGEDRN N#C[C@H](C(=O)c1ccc2c(c1)OCO2)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000046707024 1404559718 /nfs/dbraw/zinc/55/97/18/1404559718.db2.gz HOBQYFTZYLVJJW-GFCCVEGCSA-N 0 0 393.424 3.494 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000046715196 1404562289 /nfs/dbraw/zinc/56/22/89/1404562289.db2.gz XYLMCYASKBUPSS-UHFFFAOYSA-N 0 0 391.393 3.473 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000046754869 1404578693 /nfs/dbraw/zinc/57/86/93/1404578693.db2.gz QBETWDYAXRLXFQ-OAQYLSRUSA-N 0 0 398.434 3.465 20 30 GGEDRN CC(C)(C)c1nnc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)s1 ZINC000056737084 1407414910 /nfs/dbraw/zinc/41/49/10/1407414910.db2.gz YZHJJEKCLCEZJZ-UHFFFAOYSA-N 0 0 388.472 3.200 20 30 GGEDRN CC(C)NC(=O)Nc1ccc(CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000046778060 1404586036 /nfs/dbraw/zinc/58/60/36/1404586036.db2.gz RYELBIUFZFYTJT-HNNXBMFYSA-N 0 0 380.448 3.172 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000046780569 1404587713 /nfs/dbraw/zinc/58/77/13/1404587713.db2.gz DJYKPVHYQSNJGC-IBGZPJMESA-N 0 0 393.487 3.369 20 30 GGEDRN COc1ccc(N2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)cc1 ZINC000046805080 1404596051 /nfs/dbraw/zinc/59/60/51/1404596051.db2.gz UDGVZVCMCDYEIN-UHFFFAOYSA-N 0 0 381.501 3.149 20 30 GGEDRN Cc1ccc(NC(=O)C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)nc1 ZINC000046809097 1404597412 /nfs/dbraw/zinc/59/74/12/1404597412.db2.gz OTWRLQLCMNFJGI-UHFFFAOYSA-N 0 0 376.460 3.072 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000046811011 1404598014 /nfs/dbraw/zinc/59/80/14/1404598014.db2.gz NKCZPBDCDAIACE-UHFFFAOYSA-N 0 0 393.443 3.491 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 ZINC000046815031 1404600030 /nfs/dbraw/zinc/60/00/30/1404600030.db2.gz JCGMVCABOPWQCC-UHFFFAOYSA-N 0 0 376.391 3.315 20 30 GGEDRN C=CCOc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000046821924 1404603886 /nfs/dbraw/zinc/60/38/86/1404603886.db2.gz ZFHDATDGRZGAGR-SFHVURJKSA-N 0 0 379.460 3.446 20 30 GGEDRN COc1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc(OC)c1C ZINC000046848687 1404610598 /nfs/dbraw/zinc/61/05/98/1404610598.db2.gz XVZOOWZXHPOATO-UHFFFAOYSA-N 0 0 379.460 3.236 20 30 GGEDRN COc1cccc(CO[C@@H](C)C(=O)N2CCCN(c3ccccc3C#N)CC2)c1 ZINC000046850633 1404610914 /nfs/dbraw/zinc/61/09/14/1404610914.db2.gz MBDAUQITAQLYNS-SFHVURJKSA-N 0 0 393.487 3.211 20 30 GGEDRN COc1cc(CCC(=O)N2CCCN(c3ccccc3C#N)CC2)cc(OC)c1 ZINC000046850174 1404611079 /nfs/dbraw/zinc/61/10/79/1404611079.db2.gz SBVGXAPQPOUFSE-UHFFFAOYSA-N 0 0 393.487 3.247 20 30 GGEDRN C=CCOc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1OC ZINC000046850245 1404611126 /nfs/dbraw/zinc/61/11/26/1404611126.db2.gz OISRAILUVHIFIC-UHFFFAOYSA-N 0 0 391.471 3.484 20 30 GGEDRN N#Cc1ccccc1N1CCCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 ZINC000046850688 1404611153 /nfs/dbraw/zinc/61/11/53/1404611153.db2.gz GTQGVXQUMYZQNQ-UHFFFAOYSA-N 0 0 385.471 3.156 20 30 GGEDRN N#Cc1cnn2c1[nH]c(CSc1nnc(NC3CCCCC3)s1)cc2=O ZINC000046850092 1404611321 /nfs/dbraw/zinc/61/13/21/1404611321.db2.gz FFHSNKVRTRJADQ-UHFFFAOYSA-N 0 0 387.494 3.195 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000046866281 1404617895 /nfs/dbraw/zinc/61/78/95/1404617895.db2.gz VGQREQQUENGUQZ-UHFFFAOYSA-N 0 0 396.510 3.346 20 30 GGEDRN Cc1c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cnn1-c1ccccc1C ZINC000046874000 1404619231 /nfs/dbraw/zinc/61/92/31/1404619231.db2.gz XPOFYMURMFUNNT-UHFFFAOYSA-N 0 0 399.498 3.319 20 30 GGEDRN CN(C[C@H]1COc2ccccc2O1)C(=O)NCCSCc1ccccc1C#N ZINC000046890124 1404622967 /nfs/dbraw/zinc/62/29/67/1404622967.db2.gz VMOAYEBDCADZIJ-SFHVURJKSA-N 0 0 397.500 3.273 20 30 GGEDRN CN(C[C@@H]1COc2ccccc2O1)C(=O)NCCSCc1ccccc1C#N ZINC000046890121 1404623536 /nfs/dbraw/zinc/62/35/36/1404623536.db2.gz VMOAYEBDCADZIJ-GOSISDBHSA-N 0 0 397.500 3.273 20 30 GGEDRN Cn1ncc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1-n1cccc1 ZINC000046933679 1404640086 /nfs/dbraw/zinc/64/00/86/1404640086.db2.gz CWMQBVCLYYWCSD-UHFFFAOYSA-N 0 0 389.337 3.276 20 30 GGEDRN CC(=O)N[C@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C1CCCC1 ZINC000046933746 1404640158 /nfs/dbraw/zinc/64/01/58/1404640158.db2.gz WUQXVHZSSLFTAU-INIZCTEOSA-N 0 0 383.370 3.133 20 30 GGEDRN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000046960974 1404654799 /nfs/dbraw/zinc/65/47/99/1404654799.db2.gz MVSSMRKERBIECB-GOSISDBHSA-N 0 0 393.491 3.400 20 30 GGEDRN C=CCOc1ccc(C(=O)N2CCC(C(=O)NCCCCC)CC2)cc1OC ZINC000046969211 1404656370 /nfs/dbraw/zinc/65/63/70/1404656370.db2.gz OJFLIIDBITVMQU-UHFFFAOYSA-N 0 0 388.508 3.419 20 30 GGEDRN CC(C)NC(=O)Nc1ccc(CNC(=O)N(C)Cc2cccc(C#N)c2)cc1 ZINC000046997403 1404668093 /nfs/dbraw/zinc/66/80/93/1404668093.db2.gz AFBPIHWZZCVQDI-UHFFFAOYSA-N 0 0 379.464 3.430 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCN(c2ccccc2C)CC1 ZINC000047046677 1404686511 /nfs/dbraw/zinc/68/65/11/1404686511.db2.gz CNZVWTJRIUCHBI-UHFFFAOYSA-N 0 0 393.487 3.383 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000047036337 1404682324 /nfs/dbraw/zinc/68/23/24/1404682324.db2.gz WXOLZWVAXQMQTO-UHFFFAOYSA-N 0 0 380.517 3.453 20 30 GGEDRN C[C@@H]1CCC[C@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC000047035303 1404682770 /nfs/dbraw/zinc/68/27/70/1404682770.db2.gz JMZXTMJYILKDTM-CABCVRRESA-N 0 0 383.452 3.217 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000047036332 1404682918 /nfs/dbraw/zinc/68/29/18/1404682918.db2.gz WNZHZIVFPWRBOL-UHFFFAOYSA-N 0 0 380.517 3.453 20 30 GGEDRN Cc1cc(N2CCN(C(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)nc(C(C)C)n1 ZINC000047052568 1404688703 /nfs/dbraw/zinc/68/87/03/1404688703.db2.gz JPWGYRIZHYWFEM-QGZVFWFLSA-N 0 0 392.507 3.373 20 30 GGEDRN CSc1ccc([C@@H](C)NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000047053704 1404689909 /nfs/dbraw/zinc/68/99/09/1404689909.db2.gz VSQUXKBICLXPPH-OAHLLOKOSA-N 0 0 381.505 3.268 20 30 GGEDRN N#Cc1ccnc(N2CCN(C(=O)NCCc3ccc4ccccc4c3)CC2)c1 ZINC000047066118 1404693823 /nfs/dbraw/zinc/69/38/23/1404693823.db2.gz OMCZOZJMBZEMLM-UHFFFAOYSA-N 0 0 385.471 3.181 20 30 GGEDRN COc1cc(C)c([C@@H](C)NC(=O)COc2ccc(C#N)cc2OC)cc1OC ZINC000047109966 1404709238 /nfs/dbraw/zinc/70/92/38/1404709238.db2.gz DZMYMBFACVWKBQ-CQSZACIVSA-N 0 0 384.432 3.149 20 30 GGEDRN CN(C)c1ccc(NC(=O)NCCNc2ncccc2C#N)c(C(F)(F)F)c1 ZINC000047114695 1404710598 /nfs/dbraw/zinc/71/05/98/1404710598.db2.gz YBWMDRNACUQMML-UHFFFAOYSA-N 0 0 392.385 3.272 20 30 GGEDRN C[C@H]1CN(Cc2ccccc2CNC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000047128632 1404715777 /nfs/dbraw/zinc/71/57/77/1404715777.db2.gz KDEVHMLJTGUQFE-IRXDYDNUSA-N 0 0 378.476 3.489 20 30 GGEDRN CSc1ncc(Cl)c(C(=O)N2CCCN(c3ccccc3C#N)CC2)n1 ZINC000047138253 1404718956 /nfs/dbraw/zinc/71/89/56/1404718956.db2.gz WEGKJPYKSNQPGE-UHFFFAOYSA-N 0 0 387.896 3.076 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000047165122 1404727898 /nfs/dbraw/zinc/72/78/98/1404727898.db2.gz SGINKUWCKSTEAO-GFCCVEGCSA-N 0 0 376.359 3.424 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)Nc1cc(NC(=O)C2CC2)ccc1C ZINC000047186328 1404738438 /nfs/dbraw/zinc/73/84/38/1404738438.db2.gz JKYIOXWPWPBMEX-UHFFFAOYSA-N 0 0 379.416 3.241 20 30 GGEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccoc2)c1 ZINC000047194189 1404740640 /nfs/dbraw/zinc/74/06/40/1404740640.db2.gz UEPRYTLTRIYDEH-LVZFUZTISA-N 0 0 375.450 3.125 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc3ccc(F)cc3nc2C)c1 ZINC000047194448 1404741840 /nfs/dbraw/zinc/74/18/40/1404741840.db2.gz YIIXBHXPDAUTRH-UHFFFAOYSA-N 0 0 375.403 3.374 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000047194739 1404742349 /nfs/dbraw/zinc/74/23/49/1404742349.db2.gz ONBGQGQDSNZFFF-AWEZNQCLSA-N 0 0 397.456 3.154 20 30 GGEDRN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNc1ncnc2ccccc21 ZINC000047253263 1404770065 /nfs/dbraw/zinc/77/00/65/1404770065.db2.gz YRRHMCUNEYMRKJ-UHFFFAOYSA-N 0 0 387.422 3.453 20 30 GGEDRN Cc1ncc(CN(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)s1 ZINC000047258939 1404771466 /nfs/dbraw/zinc/77/14/66/1404771466.db2.gz PDKMCBSJEJJJBX-UHFFFAOYSA-N 0 0 397.504 3.453 20 30 GGEDRN N#Cc1cccnc1NCCNC(=O)c1cc(Br)ccc1Cl ZINC000047283762 1404786475 /nfs/dbraw/zinc/78/64/75/1404786475.db2.gz SERJGJWBZHMRLQ-UHFFFAOYSA-N 0 0 379.645 3.211 20 30 GGEDRN C=CCc1ccc(OC[C@H](O)Cn2c(CCCO)nc3ccccc32)c(OC)c1 ZINC000047283087 1404786552 /nfs/dbraw/zinc/78/65/52/1404786552.db2.gz YXQLLBZOEBPEGZ-GOSISDBHSA-N 0 0 396.487 3.138 20 30 GGEDRN C=CCOc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1OC ZINC000047292355 1404790838 /nfs/dbraw/zinc/79/08/38/1404790838.db2.gz AGABVYRIPWEKRT-QGZVFWFLSA-N 0 0 395.459 3.146 20 30 GGEDRN N#Cc1ccc(CCC(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000047292612 1404790899 /nfs/dbraw/zinc/79/08/99/1404790899.db2.gz GCXROPXZMGSDMR-KRWDZBQOSA-N 0 0 396.878 3.417 20 30 GGEDRN Cn1c(CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)nc2cc(Cl)ccc21 ZINC000047347508 1404812110 /nfs/dbraw/zinc/81/21/10/1404812110.db2.gz HXRJMIHKUMIJGR-HXUWFJFHSA-N 0 0 393.834 3.066 20 30 GGEDRN C[C@]1(c2cc3ccccc3o2)NC(=O)N(CCOc2cccc(C#N)c2)C1=O ZINC000047354298 1404814339 /nfs/dbraw/zinc/81/43/39/1404814339.db2.gz OSKMXUAYPDTRFJ-OAQYLSRUSA-N 0 0 375.384 3.150 20 30 GGEDRN CCCc1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)n[nH]1 ZINC000047362589 1404817222 /nfs/dbraw/zinc/81/72/22/1404817222.db2.gz HCXFLEFISRZASM-LBPRGKRZSA-N 0 0 381.461 3.029 20 30 GGEDRN Cc1cc(C)cc(-n2ncc3c2ncn(CCOc2cccc(C#N)c2)c3=O)c1 ZINC000047368743 1404818283 /nfs/dbraw/zinc/81/82/83/1404818283.db2.gz SHGPHVWVYZRWSH-UHFFFAOYSA-N 0 0 385.427 3.150 20 30 GGEDRN CC[C@@H](C)N(C)C(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000047389037 1404823875 /nfs/dbraw/zinc/82/38/75/1404823875.db2.gz VITACLQSZQADQE-CQSZACIVSA-N 0 0 380.514 3.200 20 30 GGEDRN C#Cc1cccc(NC(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 ZINC000047399793 1404826476 /nfs/dbraw/zinc/82/64/76/1404826476.db2.gz NNFGNOFBRHEWHJ-UHFFFAOYSA-N 0 0 386.455 3.068 20 30 GGEDRN N#Cc1c(Cl)nsc1N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000047405280 1404827944 /nfs/dbraw/zinc/82/79/44/1404827944.db2.gz NNQQAXXUXBXJEK-UHFFFAOYSA-N 0 0 390.852 3.252 20 30 GGEDRN CC(C)n1nccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000047435768 1404835320 /nfs/dbraw/zinc/83/53/20/1404835320.db2.gz UOUAVILJAWDBFJ-UHFFFAOYSA-N 0 0 394.435 3.439 20 30 GGEDRN N#Cc1ccc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)cc1Cl ZINC000047441315 1404837763 /nfs/dbraw/zinc/83/77/63/1404837763.db2.gz RZBVNHUSSIVOBY-UHFFFAOYSA-N 0 0 397.862 3.468 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000047445237 1404839650 /nfs/dbraw/zinc/83/96/50/1404839650.db2.gz VJHZORNWZKOFML-HSZRJFAPSA-N 0 0 387.439 3.379 20 30 GGEDRN CCN(C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000047446669 1404840175 /nfs/dbraw/zinc/84/01/75/1404840175.db2.gz LFMVFCAZGCGMDI-OAHLLOKOSA-N 0 0 390.418 3.467 20 30 GGEDRN N#Cc1ccnc(N2CCN(C(=O)c3cc(-c4ccccc4Cl)on3)CC2)c1 ZINC000047455571 1404843084 /nfs/dbraw/zinc/84/30/84/1404843084.db2.gz KWDWLVGSNJABDI-UHFFFAOYSA-N 0 0 393.834 3.224 20 30 GGEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000047460788 1404844628 /nfs/dbraw/zinc/84/46/28/1404844628.db2.gz AXZLLVCCTZKHTN-DLBZAZTESA-N 0 0 380.423 3.015 20 30 GGEDRN Cc1ccc(C)c(SCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000047460520 1404844670 /nfs/dbraw/zinc/84/46/70/1404844670.db2.gz REZGSCNACHWSLD-UHFFFAOYSA-N 0 0 396.516 3.481 20 30 GGEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000047460817 1404844697 /nfs/dbraw/zinc/84/46/97/1404844697.db2.gz CBUKBAWTRRCDGW-UHFFFAOYSA-N 0 0 390.365 3.405 20 30 GGEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CSc2ccc(F)cc2)CC1 ZINC000047460618 1404844747 /nfs/dbraw/zinc/84/47/47/1404844747.db2.gz NXDYESFZURIHLA-UHFFFAOYSA-N 0 0 386.452 3.004 20 30 GGEDRN C=CCN(CC=C)C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC000047465304 1404845664 /nfs/dbraw/zinc/84/56/64/1404845664.db2.gz SPVFMZSNDLZXPL-UHFFFAOYSA-N 0 0 376.522 3.454 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCCNc1nc2ccccc2s1 ZINC000047476457 1404848041 /nfs/dbraw/zinc/84/80/41/1404848041.db2.gz SESHCZICRFZJNQ-UHFFFAOYSA-N 0 0 396.520 3.184 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c1 ZINC000047484257 1404848896 /nfs/dbraw/zinc/84/88/96/1404848896.db2.gz HLBNEHJUOYROHY-UHFFFAOYSA-N 0 0 392.459 3.413 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)Nc2cccc(NC(=O)C(C)C)c2)c1 ZINC000047487164 1404850138 /nfs/dbraw/zinc/85/01/38/1404850138.db2.gz FLOCMLWPGXCWHN-UHFFFAOYSA-N 0 0 378.432 3.023 20 30 GGEDRN N#Cc1ccc(CSc2ccccc2C(=O)NCCNc2cnccn2)cc1 ZINC000047492754 1404851365 /nfs/dbraw/zinc/85/13/65/1404851365.db2.gz AFXQNXRUMZRVAD-UHFFFAOYSA-N 0 0 389.484 3.482 20 30 GGEDRN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)o1 ZINC000047538386 1404861509 /nfs/dbraw/zinc/86/15/09/1404861509.db2.gz FBOYVPLYTTXVRD-PBHICJAKSA-N 0 0 394.475 3.421 20 30 GGEDRN C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)o1 ZINC000047538392 1404861944 /nfs/dbraw/zinc/86/19/44/1404861944.db2.gz FBOYVPLYTTXVRD-WMLDXEAASA-N 0 0 394.475 3.421 20 30 GGEDRN CC(C)(C)OC(=O)NC1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000047540058 1404862483 /nfs/dbraw/zinc/86/24/83/1404862483.db2.gz DBYKKTSDNYOJQT-UHFFFAOYSA-N 0 0 392.887 3.139 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c1 ZINC000047545111 1404864252 /nfs/dbraw/zinc/86/42/52/1404864252.db2.gz ICWCJQCDGNMMMZ-UHFFFAOYSA-N 0 0 392.459 3.331 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(N(C)C(C)C)c(F)c2)c1 ZINC000047560910 1404867871 /nfs/dbraw/zinc/86/78/71/1404867871.db2.gz YJXUEIHEJSJSAH-UHFFFAOYSA-N 0 0 382.439 3.412 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCC(=O)N(C)C)c1 ZINC000047580548 1404871119 /nfs/dbraw/zinc/87/11/19/1404871119.db2.gz SVYKWGXTWHMJNH-UHFFFAOYSA-N 0 0 394.475 3.469 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)Nc1ccccc1CN1C(=O)CNC1=O ZINC000047660426 1404888673 /nfs/dbraw/zinc/88/86/73/1404888673.db2.gz NNPSHKYPNYUAFS-UHFFFAOYSA-N 0 0 384.461 3.020 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1nccn1Cc1ccccc1 ZINC000047710105 1404897952 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378.432 3.044 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000050174408 1405511817 /nfs/dbraw/zinc/51/18/17/1405511817.db2.gz KRKZRXLKAURACG-LLVKDONJSA-N 0 0 391.349 3.402 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N(Cc1ccccc1)CC1CCC1 ZINC000050174766 1405512053 /nfs/dbraw/zinc/51/20/53/1405512053.db2.gz VSHAOMIOCXJBJW-UHFFFAOYSA-N 0 0 377.444 3.334 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000050176961 1405513863 /nfs/dbraw/zinc/51/38/63/1405513863.db2.gz IZEYHXKRLKVPEC-UHFFFAOYSA-N 0 0 385.851 3.253 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000050379673 1405565487 /nfs/dbraw/zinc/56/54/87/1405565487.db2.gz UDUUFLIEZISGAA-LJQANCHMSA-N 0 0 398.434 3.293 20 30 GGEDRN C=CCc1cc(CNC(=O)c2ccc(N3CCOCC3)cc2)cc(OC)c1OC ZINC000050525464 1405592933 /nfs/dbraw/zinc/59/29/33/1405592933.db2.gz FPCIKTZZCGVDCH-UHFFFAOYSA-N 0 0 396.487 3.199 20 30 GGEDRN C=CCc1cc(CNC(=O)[C@H](C)OC[C@H]2CCCCO2)cc(OC)c1OC ZINC000050525447 1405593322 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C=CCc1cc(CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc(OC)c1OC ZINC000050526613 1405594338 /nfs/dbraw/zinc/59/43/38/1405594338.db2.gz ZURUKKIAGUCCHN-QGZVFWFLSA-N 0 0 398.434 3.314 20 30 GGEDRN CCc1nc(C)c(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)s1 ZINC000050560338 1405603562 /nfs/dbraw/zinc/60/35/62/1405603562.db2.gz GFBLSZHDDHDGRR-UHFFFAOYSA-N 0 0 397.460 3.096 20 30 GGEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CCCOCc2ccccc2)CC1 ZINC000050574506 1405605385 /nfs/dbraw/zinc/60/53/85/1405605385.db2.gz LDOBRGKYBYFZEY-UHFFFAOYSA-N 0 0 394.475 3.069 20 30 GGEDRN COC(=O)[C@H]1CCCCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000050606313 1405612086 /nfs/dbraw/zinc/61/20/86/1405612086.db2.gz JNDXSBUIDYVEAQ-HXUWFJFHSA-N 0 0 378.428 3.305 20 30 GGEDRN CSc1nc(C2CC2)cc(C(=O)NCC(=O)Nc2cccc(F)c2)c1C#N ZINC000050638699 1405617021 /nfs/dbraw/zinc/61/70/21/1405617021.db2.gz LQDODRUMEFEERP-UHFFFAOYSA-N 0 0 384.436 3.060 20 30 GGEDRN N#C[C@@H](C(=O)NC1CCCCC1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000050679916 1405622616 /nfs/dbraw/zinc/62/26/16/1405622616.db2.gz GXYOGYVPOTUPRN-VQIMIIECSA-N 0 0 396.491 3.088 20 30 GGEDRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)[C@H](C#N)C(=O)NC3CCCCC3)C2)cc1 ZINC000050683582 1405623920 /nfs/dbraw/zinc/62/39/20/1405623920.db2.gz AXKQZHHMXJBADV-ICSRJNTNSA-N 0 0 395.503 3.005 20 30 GGEDRN N#C[C@@H](C(=O)CCCc1nnc(-c2ccccc2)o1)C(=O)NC1CCCCC1 ZINC000050685438 1405625005 /nfs/dbraw/zinc/62/50/05/1405625005.db2.gz BUOILZJIAWPFJF-KRWDZBQOSA-N 0 0 380.448 3.217 20 30 GGEDRN CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000050693844 1405625754 /nfs/dbraw/zinc/62/57/54/1405625754.db2.gz NDEDBDHVQOJUJQ-KRWDZBQOSA-N 0 0 395.459 3.109 20 30 GGEDRN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000050731851 1405635377 /nfs/dbraw/zinc/63/53/77/1405635377.db2.gz ZJUZIPQAAAHOAQ-APWZRJJASA-N 0 0 387.549 3.335 20 30 GGEDRN N#CCCCOc1cccc(N[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000050784561 1405653414 /nfs/dbraw/zinc/65/34/14/1405653414.db2.gz KYUVQTVHOMIZCN-SFHVURJKSA-N 0 0 394.387 3.021 20 30 GGEDRN C=CCc1cc(CNC(=O)[C@H](C)NC(=O)C2CCCCC2)cc(OC)c1OC ZINC000050860003 1405669236 /nfs/dbraw/zinc/66/92/36/1405669236.db2.gz WQDLROJVUPSHJU-HNNXBMFYSA-N 0 0 388.508 3.134 20 30 GGEDRN C=CCc1cc(CNC(=O)c2cc3ccccc3c(=O)[nH]2)cc(OC)c1OC ZINC000050860286 1405669606 /nfs/dbraw/zinc/66/96/06/1405669606.db2.gz BVUZBHRLKJKLAS-UHFFFAOYSA-N 0 0 378.428 3.204 20 30 GGEDRN C=CCc1cc(CNC(=O)C[C@H](C)NC(=O)c2ccccc2)cc(OC)c1OC ZINC000050860317 1405670168 /nfs/dbraw/zinc/67/01/68/1405670168.db2.gz MQZIJWICWDXTJX-INIZCTEOSA-N 0 0 396.487 3.257 20 30 GGEDRN CNC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 ZINC000050907798 1405682524 /nfs/dbraw/zinc/68/25/24/1405682524.db2.gz IKFWFLIRPAGIFL-UHFFFAOYSA-N 0 0 375.384 3.342 20 30 GGEDRN CC(=O)NC1CCN(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC1 ZINC000050990235 1405695382 /nfs/dbraw/zinc/69/53/82/1405695382.db2.gz BIKSHUNTAJGZTC-UHFFFAOYSA-N 0 0 390.484 3.062 20 30 GGEDRN CC(=O)NC1CCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000050991305 1405697509 /nfs/dbraw/zinc/69/75/09/1405697509.db2.gz BCXWFSAYEQZIMH-UHFFFAOYSA-N 0 0 376.457 3.138 20 30 GGEDRN CCCCNC(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000051060836 1405718194 /nfs/dbraw/zinc/71/81/94/1405718194.db2.gz QMFQDJFCSHZPBA-HOCLYGCPSA-N 0 0 390.915 3.167 20 30 GGEDRN N#C[C@H](COC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)Cc1ccccc1 ZINC000175363215 1427707753 /nfs/dbraw/zinc/70/77/53/1427707753.db2.gz XXJARTRIAKGODN-LJQANCHMSA-N 0 0 375.428 3.091 20 30 GGEDRN N#C[C@H](COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000175362866 1427707831 /nfs/dbraw/zinc/70/78/31/1427707831.db2.gz AMBKXCGNTJVIAD-MRXNPFEDSA-N 0 0 376.372 3.320 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)CN2CCN(c3ccccc3)CC2)c1C ZINC000051129432 1405728839 /nfs/dbraw/zinc/72/88/39/1405728839.db2.gz QVFFMJCAUQFDSF-UHFFFAOYSA-N 0 0 376.504 3.372 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)CN2CCN(c3ccc(O)cc3)CC2)c1C ZINC000051154642 1405733456 /nfs/dbraw/zinc/73/34/56/1405733456.db2.gz QINLDSFTSOZKDP-UHFFFAOYSA-N 0 0 392.503 3.078 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)Oc2cccc3ccc(N4CCCC4)nc32)c1 ZINC000051156338 1405734112 /nfs/dbraw/zinc/73/41/12/1405734112.db2.gz CSRDCLKDMCYYSE-UHFFFAOYSA-N 0 0 379.441 3.474 20 30 GGEDRN C=CCc1cc(CNS(=O)(=O)c2ccc(F)c(F)c2)cc(OC)c1OC ZINC000051164476 1405735498 /nfs/dbraw/zinc/73/54/98/1405735498.db2.gz XYQFLFFXJKTNKS-UHFFFAOYSA-N 0 0 383.416 3.189 20 30 GGEDRN C=CCc1cc(CNS(=O)(=O)c2c(F)cccc2F)cc(OC)c1OC ZINC000051164477 1405735640 /nfs/dbraw/zinc/73/56/40/1405735640.db2.gz PSDIRYWVKZUQDH-UHFFFAOYSA-N 0 0 383.416 3.189 20 30 GGEDRN CCOC(=O)N1CCN(CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000051182130 1405738972 /nfs/dbraw/zinc/73/89/72/1405738972.db2.gz XHULWYMMCNSNMZ-UHFFFAOYSA-N 0 0 380.495 3.234 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)CN2CCN(c3ccccc3O)CC2)c1C ZINC000051184765 1405740056 /nfs/dbraw/zinc/74/00/56/1405740056.db2.gz UKROUWIKHSGZCT-UHFFFAOYSA-N 0 0 392.503 3.078 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)OCC(=O)Nc1ccccc1C ZINC000051265310 1405760566 /nfs/dbraw/zinc/76/05/66/1405760566.db2.gz XKQBKUCCAVGDRG-UHFFFAOYSA-N 0 0 382.416 3.216 20 30 GGEDRN C=CCc1cc(CNC(=O)NCCc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000051267121 1405761518 /nfs/dbraw/zinc/76/15/18/1405761518.db2.gz JZFSOWRRWUVRDL-UHFFFAOYSA-N 0 0 398.459 3.203 20 30 GGEDRN Cc1ccc(C(=O)NC2CCN(C(=O)NCC#Cc3ccccc3)CC2)s1 ZINC000051268620 1405762659 /nfs/dbraw/zinc/76/26/59/1405762659.db2.gz GEWPFKFQIHRXCO-UHFFFAOYSA-N 0 0 381.501 3.012 20 30 GGEDRN C=CCc1cc(CNC(=O)N[C@H](C)c2nnc3ccccn32)cc(OC)c1OC ZINC000051268213 1405762915 /nfs/dbraw/zinc/76/29/15/1405762915.db2.gz ZRMOIZXXKMDZOA-CQSZACIVSA-N 0 0 395.463 3.035 20 30 GGEDRN C=CCc1cc(CNC(=O)N[C@@H](C)c2nnc3ccccn32)cc(OC)c1OC ZINC000051268211 1405763034 /nfs/dbraw/zinc/76/30/34/1405763034.db2.gz ZRMOIZXXKMDZOA-AWEZNQCLSA-N 0 0 395.463 3.035 20 30 GGEDRN C=CCc1cc(CNC(=O)NC[C@@H]2Cc3ccccc3O2)cc(OC)c1OC ZINC000051270919 1405764756 /nfs/dbraw/zinc/76/47/56/1405764756.db2.gz OAYZDGPFWXAACW-SFHVURJKSA-N 0 0 382.460 3.235 20 30 GGEDRN C#Cc1cccc(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000051351775 1405795509 /nfs/dbraw/zinc/79/55/09/1405795509.db2.gz AVSVYADEEFJZER-KRWDZBQOSA-N 0 0 383.245 3.422 20 30 GGEDRN Cc1ccc(S(=O)(=O)N(CCC(=O)OCCCC#N)c2ccccc2)cc1 ZINC000051408650 1405805972 /nfs/dbraw/zinc/80/59/72/1405805972.db2.gz QKHHKOVSUKRPDB-UHFFFAOYSA-N 0 0 386.473 3.427 20 30 GGEDRN N#CCc1cccc(C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)c1 ZINC000051419967 1405807823 /nfs/dbraw/zinc/80/78/23/1405807823.db2.gz YFJZWSPFXDOTOC-UHFFFAOYSA-N 0 0 388.471 3.292 20 30 GGEDRN CC(C)c1cccc(O[C@@H](C)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000051429971 1405810375 /nfs/dbraw/zinc/81/03/75/1405810375.db2.gz BGRYHONYIFJTFQ-KRWDZBQOSA-N 0 0 378.476 3.193 20 30 GGEDRN Cc1cc(O[C@@H](C)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)ccc1Cl ZINC000051430014 1405810850 /nfs/dbraw/zinc/81/08/50/1405810850.db2.gz QIMABMMQCVBQJD-HNNXBMFYSA-N 0 0 384.867 3.031 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1nc(-c2ccccc2)no1 ZINC000051432706 1405811752 /nfs/dbraw/zinc/81/17/52/1405811752.db2.gz RDVBSGGMGNYVMJ-UHFFFAOYSA-N 0 0 379.420 3.140 20 30 GGEDRN Cc1ccccc1-c1cc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)n[nH]1 ZINC000051438678 1405812256 /nfs/dbraw/zinc/81/22/56/1405812256.db2.gz JXEWITDRJMOSPC-UHFFFAOYSA-N 0 0 375.432 3.133 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3ccccc3C)[nH]n2)cc1 ZINC000051438376 1405812411 /nfs/dbraw/zinc/81/24/11/1405812411.db2.gz XTHWMUZHEUNAKB-UHFFFAOYSA-N 0 0 396.472 3.102 20 30 GGEDRN C=CCc1cc(CNC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)cc(OC)c1OC ZINC000051467770 1405815813 /nfs/dbraw/zinc/81/58/13/1405815813.db2.gz NKTWFAHBZPITEA-MRXNPFEDSA-N 0 0 396.487 3.175 20 30 GGEDRN C=C(C)CN(CC)C(=O)COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051552127 1405830752 /nfs/dbraw/zinc/83/07/52/1405830752.db2.gz VAFQMPPBKBPBCG-UHFFFAOYSA-N 0 0 389.433 3.300 20 30 GGEDRN CCCCc1nnc(NC(=O)N2CCC[C@H](C(=O)N[C@H](C)CCC)C2)s1 ZINC000051584819 1405834362 /nfs/dbraw/zinc/83/43/62/1405834362.db2.gz LAHJDLKCBBEFRY-KGLIPLIRSA-N 0 0 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GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)NCC(=O)N(CC)Cc1ccccc1 ZINC000066357821 1408822575 /nfs/dbraw/zinc/82/25/75/1408822575.db2.gz LIGPRIOYUYXWET-UHFFFAOYSA-N 0 0 395.503 3.442 20 30 GGEDRN C=CCn1c(C2CC2)nn(CN2CCN(C(=O)C3CCCCC3)CC2)c1=S ZINC000066371467 1408824686 /nfs/dbraw/zinc/82/46/86/1408824686.db2.gz WOIWVABBQNGKGE-UHFFFAOYSA-N 0 0 389.569 3.159 20 30 GGEDRN CCN(CC)C(=O)c1ccc(NC(=O)CON=C(N)CCc2ccccc2)cc1 ZINC000066373969 1408825172 /nfs/dbraw/zinc/82/51/72/1408825172.db2.gz LZZWXTWGMAHZGP-UHFFFAOYSA-N 0 0 396.491 3.029 20 30 GGEDRN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCC(=O)N[C@](C)(C#N)C(C)C ZINC000066374718 1408825685 /nfs/dbraw/zinc/82/56/85/1408825685.db2.gz IQFCDASDOYYWNI-VGOFRKELSA-N 0 0 384.524 3.476 20 30 GGEDRN CN1C(=O)c2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2C1=O ZINC000066394664 1408829868 /nfs/dbraw/zinc/82/98/68/1408829868.db2.gz XGIVGUOHZSVKIJ-AWEZNQCLSA-N 0 0 388.210 3.214 20 30 GGEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2csc(N3CCCC3=O)n2)cc1 ZINC000066396451 1408830460 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C=C(C)COc1cccc(NC(=O)C(=O)NCCCn2cnc3ccccc32)c1 ZINC000067492783 1409135543 /nfs/dbraw/zinc/13/55/43/1409135543.db2.gz PLVZWINIEXXKEW-UHFFFAOYSA-N 0 0 392.459 3.136 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NCCc2cc(C)ccc2OC)c1 ZINC000067493360 1409135722 /nfs/dbraw/zinc/13/57/22/1409135722.db2.gz LVYASBARUSFAEF-UHFFFAOYSA-N 0 0 382.460 3.256 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)CCc2ccc(O)cc2)c1 ZINC000067494459 1409136341 /nfs/dbraw/zinc/13/63/41/1409136341.db2.gz DDVUBCVQIIUBOJ-INIZCTEOSA-N 0 0 382.460 3.423 20 30 GGEDRN COc1cccc(C#CCOC(=O)CSc2nncn2-c2ccc(C)cc2)c1 ZINC000176607750 1428377991 /nfs/dbraw/zinc/37/79/91/1428377991.db2.gz OXZPVYVKOBWMLT-UHFFFAOYSA-N 0 0 393.468 3.271 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC000067496710 1409137273 /nfs/dbraw/zinc/13/72/73/1409137273.db2.gz ILYYLDYETJWZHG-IBGZPJMESA-N 0 0 377.444 3.129 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 ZINC000067496712 1409137502 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GGEDRN N#Cc1ccc(CSCC(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000067523713 1409142856 /nfs/dbraw/zinc/14/28/56/1409142856.db2.gz YOXQSGDHWJJNFN-UHFFFAOYSA-N 0 0 380.448 3.433 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000067524796 1409144672 /nfs/dbraw/zinc/14/46/72/1409144672.db2.gz OUCUXUJIHGCBOK-GOSISDBHSA-N 0 0 388.851 3.083 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NCc2ccc(-n3cccn3)cc2)c1 ZINC000067524670 1409144758 /nfs/dbraw/zinc/14/47/58/1409144758.db2.gz KYHGENYUTICNQU-UHFFFAOYSA-N 0 0 390.443 3.082 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000067524891 1409144848 /nfs/dbraw/zinc/14/48/48/1409144848.db2.gz FDZAYEJAGSHHTG-SFHVURJKSA-N 0 0 393.487 3.223 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000067526424 1409145653 /nfs/dbraw/zinc/14/56/53/1409145653.db2.gz MKDYMNWNQRXISD-HXUWFJFHSA-N 0 0 398.434 3.319 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N(C)Cc2ccc(OC)cc2OC)c1 ZINC000067526976 1409146091 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20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NCc2cccnc2OCCC)c1 ZINC000067556610 1409160354 /nfs/dbraw/zinc/16/03/54/1409160354.db2.gz SHAXJXJYXKOPQY-UHFFFAOYSA-N 0 0 383.448 3.080 20 30 GGEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccc(C)c(OCC)c1 ZINC000067559514 1409162174 /nfs/dbraw/zinc/16/21/74/1409162174.db2.gz YPLHMNXFTOBXHB-UHFFFAOYSA-N 0 0 397.431 3.455 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(C)c(OCC)c1 ZINC000067559610 1409162197 /nfs/dbraw/zinc/16/21/97/1409162197.db2.gz IUCPGWIKISSJJO-UHFFFAOYSA-N 0 0 377.444 3.419 20 30 GGEDRN C[C@@H]1CN(Cc2cccc(CNC(=O)Nc3ccc(CC#N)cc3)c2)CCO1 ZINC000067561412 1409163776 /nfs/dbraw/zinc/16/37/76/1409163776.db2.gz UJSDGERBVPIIMU-QGZVFWFLSA-N 0 0 378.476 3.295 20 30 GGEDRN C#Cc1cccc(NC(=O)NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1 ZINC000067562877 1409164303 /nfs/dbraw/zinc/16/43/03/1409164303.db2.gz BVBBBIVNLTYNOY-UHFFFAOYSA-N 0 0 385.489 3.019 20 30 GGEDRN N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000067564855 1409165925 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GGEDRN N#CCc1cccc(C(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c1 ZINC000067593873 1409179139 /nfs/dbraw/zinc/17/91/39/1409179139.db2.gz VVWBEDKRVZWWCM-UHFFFAOYSA-N 0 0 393.878 3.012 20 30 GGEDRN CSc1[n-]c(=O)c(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000067594742 1409179957 /nfs/dbraw/zinc/17/99/57/1409179957.db2.gz IEIBWWHNMYCXLT-INIZCTEOSA-N 0 0 396.516 3.023 20 30 GGEDRN N#C[C@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)C1CCCCC1 ZINC000176619740 1428381714 /nfs/dbraw/zinc/38/17/14/1428381714.db2.gz BQVLVWKSMYAQSM-INIZCTEOSA-N 0 0 398.532 3.316 20 30 GGEDRN N#C[C@@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)C1CCCCC1 ZINC000176619756 1428381824 /nfs/dbraw/zinc/38/18/24/1428381824.db2.gz BQVLVWKSMYAQSM-MRXNPFEDSA-N 0 0 398.532 3.316 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000067598488 1409181910 /nfs/dbraw/zinc/18/19/10/1409181910.db2.gz VPKADZUITUXTBE-SFHVURJKSA-N 0 0 377.444 3.302 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000067606928 1409185175 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3.001 20 30 GGEDRN COc1cc([C@@H](C#N)NC(=O)Cc2c(C)[nH]c3ccccc32)cc(OC)c1OC ZINC000067701999 1409209302 /nfs/dbraw/zinc/20/93/02/1409209302.db2.gz ZTIDWRAVFROJMI-GOSISDBHSA-N 0 0 393.443 3.426 20 30 GGEDRN COc1cc([C@H](C#N)NC(=O)CCOc2ccc(C)cc2C)cc(OC)c1OC ZINC000067701982 1409209338 /nfs/dbraw/zinc/20/93/38/1409209338.db2.gz RGWAAGSXSTYTJH-KRWDZBQOSA-N 0 0 398.459 3.479 20 30 GGEDRN COc1cccc(CCC(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000067701790 1409209386 /nfs/dbraw/zinc/20/93/86/1409209386.db2.gz RUCXNBARXMPBPI-KRWDZBQOSA-N 0 0 384.432 3.035 20 30 GGEDRN COc1cc([C@H](C#N)NC(=O)Cc2ccccc2OC(C)C)cc(OC)c1OC ZINC000067702792 1409209863 /nfs/dbraw/zinc/20/98/63/1409209863.db2.gz KERMJVRNUYMBBT-KRWDZBQOSA-N 0 0 398.459 3.423 20 30 GGEDRN COc1cc([C@@H](C#N)NC(=O)Cc2ccccc2OC(C)C)cc(OC)c1OC ZINC000067702795 1409209889 /nfs/dbraw/zinc/20/98/89/1409209889.db2.gz KERMJVRNUYMBBT-QGZVFWFLSA-N 0 0 398.459 3.423 20 30 GGEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nncn1C(C)(C)C ZINC000067750740 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COc1ccc(C(=O)Nc2ccccc2C#N)cc1S(=O)(=O)NC1CCCC1 ZINC000068233331 1409336267 /nfs/dbraw/zinc/33/62/67/1409336267.db2.gz NHLFXLHDFGSQLZ-UHFFFAOYSA-N 0 0 399.472 3.040 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C#N)CC2)c(C)c1 ZINC000068233421 1409336639 /nfs/dbraw/zinc/33/66/39/1409336639.db2.gz XZILUGAOFXIICN-UHFFFAOYSA-N 0 0 397.500 3.215 20 30 GGEDRN N#Cc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000068233981 1409336689 /nfs/dbraw/zinc/33/66/89/1409336689.db2.gz OKUNTBVZJDOWIM-UHFFFAOYSA-N 0 0 397.500 3.304 20 30 GGEDRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3C#N)cc2)C1 ZINC000068233986 1409336725 /nfs/dbraw/zinc/33/67/25/1409336725.db2.gz VHWIMQFXYXJHBB-IYBDPMFKSA-N 0 0 397.500 3.477 20 30 GGEDRN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(CSc2nc[nH]n2)cc1 ZINC000068253231 1409340339 /nfs/dbraw/zinc/34/03/39/1409340339.db2.gz FDIVRNKFYPPQQM-UHFFFAOYSA-N 0 0 393.472 3.265 20 30 GGEDRN C=CCNC(=O)c1ccccc1NC(=O)C[C@@H]1c2ccccc2CCN1C(C)=O ZINC000068253872 1409340663 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CC(C)[C@H](C#N)N1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000068327554 1409367326 /nfs/dbraw/zinc/36/73/26/1409367326.db2.gz RVEJSNUVFCVRCQ-KRWDZBQOSA-N 0 0 399.476 3.024 20 30 GGEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccccc2-c2nc(C(C)(C)C)no2)CC1 ZINC000068326489 1409367394 /nfs/dbraw/zinc/36/73/94/1409367394.db2.gz IZXLJMIHOOXSPI-GOSISDBHSA-N 0 0 395.507 3.340 20 30 GGEDRN COc1ccccc1OCc1ccc(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)o1 ZINC000068327306 1409367422 /nfs/dbraw/zinc/36/74/22/1409367422.db2.gz OBKKSHRFVKBTBE-SFHVURJKSA-N 0 0 397.475 3.173 20 30 GGEDRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000068326876 1409367432 /nfs/dbraw/zinc/36/74/32/1409367432.db2.gz LGZQKVOCGFNONF-LPHOPBHVSA-N 0 0 382.512 3.017 20 30 GGEDRN Cc1ccc(-c2nc(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)cs2)cc1 ZINC000068328393 1409367708 /nfs/dbraw/zinc/36/77/08/1409367708.db2.gz BIGDJNBTTDCSBA-IBGZPJMESA-N 0 0 382.533 3.353 20 30 GGEDRN CC(C)[C@H](C#N)N1CCN(C(=O)c2cccc(CSc3nccn3C)c2)CC1 ZINC000068329010 1409367738 /nfs/dbraw/zinc/36/77/38/1409367738.db2.gz AKPXTCFTOLBXIX-IBGZPJMESA-N 0 0 397.548 3.018 20 30 GGEDRN COc1ccc(-c2nc(C(=O)N3CCN([C@@H](C#N)C(C)C)CC3)cs2)cc1 ZINC000068327732 1409367882 /nfs/dbraw/zinc/36/78/82/1409367882.db2.gz XJGGIHUMEWGKSM-SFHVURJKSA-N 0 0 384.505 3.125 20 30 GGEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)c2cn(C)nc2-c2ccccc2Cl)CC1 ZINC000068328485 1409367919 /nfs/dbraw/zinc/36/79/19/1409367919.db2.gz VLMAFRJHZLDGDO-GOSISDBHSA-N 0 0 385.899 3.046 20 30 GGEDRN CCCc1c(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)cnn1Cc1ccccc1 ZINC000068329098 1409368038 /nfs/dbraw/zinc/36/80/38/1409368038.db2.gz WPLXDBYUZFAVQX-JOCHJYFZSA-N 0 0 393.535 3.190 20 30 GGEDRN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000068335495 1409371149 /nfs/dbraw/zinc/37/11/49/1409371149.db2.gz PUBYVTMGFKKLPH-INIZCTEOSA-N 0 0 382.508 3.046 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccc(C(N)=O)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000068343689 1409374177 /nfs/dbraw/zinc/37/41/77/1409374177.db2.gz FVSCWBHNCNTGAG-OAQYLSRUSA-N 0 0 385.423 3.359 20 30 GGEDRN C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1sccc1Br ZINC000068347869 1409374940 /nfs/dbraw/zinc/37/49/40/1409374940.db2.gz BQXKRWRHSPTWME-UHFFFAOYSA-N 0 0 388.283 3.474 20 30 GGEDRN Cc1c([C@H](C)NC(=O)CNc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 ZINC000068351848 1409376148 /nfs/dbraw/zinc/37/61/48/1409376148.db2.gz KHUFNZDSQNVNQZ-AWEZNQCLSA-N 0 0 377.423 3.481 20 30 GGEDRN COc1cc(C#N)ccc1OCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737035323 1428399304 /nfs/dbraw/zinc/39/93/04/1428399304.db2.gz RDZVRRTYILDDJR-UHFFFAOYSA-N 0 0 392.463 3.036 20 30 GGEDRN C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000068374114 1409382991 /nfs/dbraw/zinc/38/29/91/1409382991.db2.gz OZUCQSPJWOYSPJ-UHFFFAOYSA-N 0 0 379.435 3.298 20 30 GGEDRN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000176671281 1428399398 /nfs/dbraw/zinc/39/93/98/1428399398.db2.gz ANWIREYHYUTFLE-FHLIZLRMSA-N 0 0 396.491 3.094 20 30 GGEDRN CN1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)c2ccccc2C1 ZINC000068391783 1409388924 /nfs/dbraw/zinc/38/89/24/1409388924.db2.gz ZJYWKXWQTGCWLW-UHFFFAOYSA-N 0 0 390.487 3.192 20 30 GGEDRN C[C@H](NC(=O)N1CCC(C(=O)NC2CCCCC2)CC1)c1ccc(C#N)cc1 ZINC000068405472 1409392819 /nfs/dbraw/zinc/39/28/19/1409392819.db2.gz SBXQNVYACPPFSJ-INIZCTEOSA-N 0 0 382.508 3.490 20 30 GGEDRN C=CCNC(=O)NC(=O)[C@@H](C)Nc1cccc(COCCc2ccccc2)c1 ZINC000068409154 1409394386 /nfs/dbraw/zinc/39/43/86/1409394386.db2.gz IPBQNXUUQJWIAQ-QGZVFWFLSA-N 0 0 381.476 3.258 20 30 GGEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CNCC(F)(F)F)cc1 ZINC000068418523 1409396128 /nfs/dbraw/zinc/39/61/28/1409396128.db2.gz MZVGPRAIXIDVQR-UHFFFAOYSA-N 0 0 379.357 3.378 20 30 GGEDRN COc1cc(/C=C/C(=O)NCCCCNc2ccccn2)ccc1OCC#N ZINC000068422705 1409397833 /nfs/dbraw/zinc/39/78/33/1409397833.db2.gz IWANOUQUGARGQF-CSKARUKUSA-N 0 0 380.448 3.014 20 30 GGEDRN N#Cc1ccc(N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1Cl ZINC000068428388 1409399095 /nfs/dbraw/zinc/39/90/95/1409399095.db2.gz NCFLFICPLIIXLQ-UHFFFAOYSA-N 0 0 393.871 3.252 20 30 GGEDRN CC(C)n1c(C2CCN(C(=O)COc3ccccc3C#N)CC2)n[nH]c1=S ZINC000068435551 1409401968 /nfs/dbraw/zinc/40/19/68/1409401968.db2.gz FARLIBJVVHZRJA-UHFFFAOYSA-N 0 0 385.493 3.178 20 30 GGEDRN COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000068436780 1409402736 /nfs/dbraw/zinc/40/27/36/1409402736.db2.gz BNYKGWFKSWVDJD-CQSZACIVSA-N 0 0 397.435 3.253 20 30 GGEDRN C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H](C)C1CCCCC1 ZINC000176676905 1428401566 /nfs/dbraw/zinc/40/15/66/1428401566.db2.gz RPXLMXPPOWCUKZ-HZPDHXFCSA-N 0 0 376.522 3.194 20 30 GGEDRN CCn1c(C2CCN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)CC2)n[nH]c1=S ZINC000068453571 1409407614 /nfs/dbraw/zinc/40/76/14/1409407614.db2.gz NDMHQUZANIEQEL-ZDUSSCGKSA-N 0 0 385.493 3.006 20 30 GGEDRN C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H](C)C1CCCCC1 ZINC000176676931 1428402071 /nfs/dbraw/zinc/40/20/71/1428402071.db2.gz RPXLMXPPOWCUKZ-CVEARBPZSA-N 0 0 376.522 3.194 20 30 GGEDRN COc1cccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)c1O ZINC000068489352 1409417328 /nfs/dbraw/zinc/41/73/28/1409417328.db2.gz BZHXEXLYKCGYSM-UHFFFAOYSA-N 0 0 378.384 3.374 20 30 GGEDRN Cc1cccc2c1ncn(CCC(=O)OC[C@H](C#N)Cc1ccc(F)cc1)c2=O ZINC000068491437 1409418739 /nfs/dbraw/zinc/41/87/39/1409418739.db2.gz KXDVUILRRUSXKS-KRWDZBQOSA-N 0 0 393.418 3.160 20 30 GGEDRN Cc1ccccc1[C@H](CC(=O)OC[C@@H](C#N)Cc1ccc(F)cc1)NC(N)=O ZINC000068491237 1409418913 /nfs/dbraw/zinc/41/89/13/1409418913.db2.gz WLJXFWYMFHXHHJ-APWZRJJASA-N 0 0 383.423 3.159 20 30 GGEDRN N#C[C@H](COC(=O)CCCNC(=O)c1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000068491034 1409418921 /nfs/dbraw/zinc/41/89/21/1409418921.db2.gz NUVBYEZTEZMDMS-MRXNPFEDSA-N 0 0 386.398 3.400 20 30 GGEDRN C[C@H]1Oc2ccccc2N(CCC(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)C1=O ZINC000068491425 1409418946 /nfs/dbraw/zinc/41/89/46/1409418946.db2.gz MFFMPTSNICEQSG-NVXWUHKLSA-N 0 0 396.418 3.255 20 30 GGEDRN COc1ccccc1N1C[C@H](C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)CC1=O ZINC000068491946 1409419549 /nfs/dbraw/zinc/41/95/49/1409419549.db2.gz XBESHYAHDFSIBQ-IAGOWNOFSA-N 0 0 396.418 3.113 20 30 GGEDRN CCCC[C@H](NC(N)=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000068524717 1409426585 /nfs/dbraw/zinc/42/65/85/1409426585.db2.gz LKIQYPWSQDWLJH-FQEVSTJZSA-N 0 0 394.475 3.497 20 30 GGEDRN COCCOc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000068530528 1409427690 /nfs/dbraw/zinc/42/76/90/1409427690.db2.gz YDSKSHPKHHYOHZ-QGZVFWFLSA-N 0 0 397.450 3.121 20 30 GGEDRN CC(=O)Nc1cc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)ccc1F ZINC000068530596 1409427883 /nfs/dbraw/zinc/42/78/83/1409427883.db2.gz WSSVHCLYXCTBBX-MRXNPFEDSA-N 0 0 398.413 3.194 20 30 GGEDRN N#Cc1ccc(SCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000068531436 1409428252 /nfs/dbraw/zinc/42/82/52/1409428252.db2.gz ANBNEPBXYVVBQR-KRWDZBQOSA-N 0 0 394.475 3.446 20 30 GGEDRN CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1C ZINC000068531355 1409428294 /nfs/dbraw/zinc/42/82/94/1409428294.db2.gz VNHNYUBOMGQPKN-INIZCTEOSA-N 0 0 382.439 3.244 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)Cc3noc4ccccc34)C2)c(F)c1 ZINC000068531612 1409428295 /nfs/dbraw/zinc/42/82/95/1409428295.db2.gz RFONYJSYFAMBTI-OAHLLOKOSA-N 0 0 378.407 3.166 20 30 GGEDRN Cc1noc(Cl)c1CCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000068531472 1409428308 /nfs/dbraw/zinc/42/83/08/1409428308.db2.gz KPNVXFDFFMJFEA-AWEZNQCLSA-N 0 0 390.846 3.365 20 30 GGEDRN CCOc1ccccc1OCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000068530921 1409428326 /nfs/dbraw/zinc/42/83/26/1409428326.db2.gz BITNQYDAFRNGDL-KRWDZBQOSA-N 0 0 397.450 3.260 20 30 GGEDRN CC(=O)Nc1cccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000068531993 1409428920 /nfs/dbraw/zinc/42/89/20/1409428920.db2.gz JFEBABSJACTEFR-SFHVURJKSA-N 0 0 380.423 3.055 20 30 GGEDRN CC(C)(C)c1noc(CCC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)n1 ZINC000068531832 1409428928 /nfs/dbraw/zinc/42/89/28/1409428928.db2.gz MHIWMSJRJBOIRW-OAHLLOKOSA-N 0 0 399.470 3.096 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3Cc4ccccc4S3)C2)c(F)c1 ZINC000068532160 1409428932 /nfs/dbraw/zinc/42/89/32/1409428932.db2.gz QTYZIKPAOJUBBR-UZLBHIALSA-N 0 0 381.476 3.499 20 30 GGEDRN CO[C@](C)(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC000068531687 1409428973 /nfs/dbraw/zinc/42/89/73/1409428973.db2.gz ODUCJXVVKSELCD-AVRDEDQJSA-N 0 0 381.451 3.344 20 30 GGEDRN COc1cccc(COCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000068532627 1409429404 /nfs/dbraw/zinc/42/94/04/1409429404.db2.gz MLMAAZVSVFKJAD-SFHVURJKSA-N 0 0 397.450 3.008 20 30 GGEDRN COc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1OC ZINC000068532505 1409429421 /nfs/dbraw/zinc/42/94/21/1409429421.db2.gz OUDAJBOWKYPHLH-OAHLLOKOSA-N 0 0 383.423 3.113 20 30 GGEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000068532464 1409429489 /nfs/dbraw/zinc/42/94/89/1409429489.db2.gz IHQXTKFXOQZHAO-CRAIPNDOSA-N 0 0 392.434 3.122 20 30 GGEDRN COc1cc(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)ccc1C ZINC000068532452 1409429513 /nfs/dbraw/zinc/42/95/13/1409429513.db2.gz APHXDVGTPRJNRQ-SFHVURJKSA-N 0 0 381.451 3.342 20 30 GGEDRN COc1ccc(CCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000068532770 1409429543 /nfs/dbraw/zinc/42/95/43/1409429543.db2.gz ZGPGSTZMOJIRKR-SFHVURJKSA-N 0 0 381.451 3.424 20 30 GGEDRN COc1ccc(O[C@@H](C)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000068532700 1409429547 /nfs/dbraw/zinc/42/95/47/1409429547.db2.gz DVRPTAWBTMZJBK-DOTOQJQBSA-N 0 0 397.450 3.258 20 30 GGEDRN COCCOc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000068532861 1409429986 /nfs/dbraw/zinc/42/99/86/1409429986.db2.gz DAUURXDASLMHIA-GOSISDBHSA-N 0 0 397.450 3.121 20 30 GGEDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000068532828 1409430069 /nfs/dbraw/zinc/43/00/69/1409430069.db2.gz FORJBNYVTWYQBM-HNNXBMFYSA-N 0 0 382.395 3.313 20 30 GGEDRN CC(=O)N(C)c1ccc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 ZINC000068558673 1409439007 /nfs/dbraw/zinc/43/90/07/1409439007.db2.gz LDNPBARPCDCHNO-UHFFFAOYSA-N 0 0 395.438 3.034 20 30 GGEDRN Cc1cccc2nc(CNC(=O)CSc3nc(C)c(C)c(C)c3C#N)cn21 ZINC000068571072 1409441925 /nfs/dbraw/zinc/44/19/25/1409441925.db2.gz RELXUDCXOQLRPX-UHFFFAOYSA-N 0 0 379.489 3.243 20 30 GGEDRN CSc1nc(C2CC2)cc(C(=O)NCc2cn3c(cccc3C)n2)c1C#N ZINC000068571759 1409442825 /nfs/dbraw/zinc/44/28/25/1409442825.db2.gz JWHVSYGQMBMCAB-UHFFFAOYSA-N 0 0 377.473 3.439 20 30 GGEDRN CCCNC(=O)Nc1cccc(OC(=O)CCc2c(C)nn(CCC#N)c2C)c1 ZINC000068587602 1409446294 /nfs/dbraw/zinc/44/62/94/1409446294.db2.gz SGGOZBRZOYHOFI-UHFFFAOYSA-N 0 0 397.479 3.483 20 30 GGEDRN C#CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1)c1ccccn1 ZINC000068595124 1409446891 /nfs/dbraw/zinc/44/68/91/1409446891.db2.gz XXCHITYRZOZIRJ-KBXCAEBGSA-N 0 0 398.846 3.404 20 30 GGEDRN C#CC[C@H](OC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1)c1ccccn1 ZINC000068595191 1409446924 /nfs/dbraw/zinc/44/69/24/1409446924.db2.gz SRRLKCAKBNHMCH-IBGZPJMESA-N 0 0 386.473 3.032 20 30 GGEDRN C#CC[C@@H](OC(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1ccccn1 ZINC000068594971 1409446927 /nfs/dbraw/zinc/44/69/27/1409446927.db2.gz HOIQODVXCIMSNA-GOSISDBHSA-N 0 0 377.400 3.381 20 30 GGEDRN C#CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1)c1ccccn1 ZINC000068595118 1409446949 /nfs/dbraw/zinc/44/69/49/1409446949.db2.gz XXCHITYRZOZIRJ-RDTXWAMCSA-N 0 0 398.846 3.404 20 30 GGEDRN C#CC[C@H](OC(=O)CSc1nncn1-c1ccc(C)cc1)c1ccccn1 ZINC000068595747 1409447522 /nfs/dbraw/zinc/44/75/22/1409447522.db2.gz KVKSTBAHMFYVLO-SFHVURJKSA-N 0 0 378.457 3.371 20 30 GGEDRN C#CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2OCC)C1)c1ccccn1 ZINC000068596322 1409447660 /nfs/dbraw/zinc/44/76/60/1409447660.db2.gz FNPNYMCPIJCRRV-VQIMIIECSA-N 0 0 378.428 3.141 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 ZINC000068599120 1409448246 /nfs/dbraw/zinc/44/82/46/1409448246.db2.gz HLSCXJZZFKWGCY-UHFFFAOYSA-N 0 0 381.436 3.340 20 30 GGEDRN N#Cc1cccnc1NCCOC(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000068602579 1409448293 /nfs/dbraw/zinc/44/82/93/1409448293.db2.gz BVXNPLBRGLELFB-UHFFFAOYSA-N 0 0 396.447 3.337 20 30 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GGEDRN CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000113943726 1412356722 /nfs/dbraw/zinc/35/67/22/1412356722.db2.gz MOUAUVSOGHGYML-UHFFFAOYSA-N 0 0 391.880 3.033 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000113944170 1412357153 /nfs/dbraw/zinc/35/71/53/1412357153.db2.gz PJADSBMBJBZLCC-MRXNPFEDSA-N 0 0 398.818 3.252 20 30 GGEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)NCCc2cn3ccccc3n2)c1 ZINC000113967114 1412360188 /nfs/dbraw/zinc/36/01/88/1412360188.db2.gz SXJIACVKVYDXQS-GOSISDBHSA-N 0 0 377.448 3.057 20 30 GGEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)NCCN2CCc3sccc3C2)c1 ZINC000113971870 1412360567 /nfs/dbraw/zinc/36/05/67/1412360567.db2.gz MDZUPUQCVIUPFF-GOSISDBHSA-N 0 0 398.532 3.287 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)c1 ZINC000113971526 1412360726 /nfs/dbraw/zinc/36/07/26/1412360726.db2.gz YCPZTBHZTPUEST-KDOFPFPSSA-N 0 0 392.459 3.423 20 30 GGEDRN CCOC[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000113975205 1412361527 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ZINC000114713860 1412508451 /nfs/dbraw/zinc/50/84/51/1412508451.db2.gz AVXAHVHREMOQDD-UHFFFAOYSA-N 0 0 386.517 3.497 20 30 GGEDRN COCCN(Cc1csc(N(C(C)=O)C2CC2)n1)Cc1ccc(C#N)cc1 ZINC000114716437 1412509428 /nfs/dbraw/zinc/50/94/28/1412509428.db2.gz VQUSJEWHWSIXHL-UHFFFAOYSA-N 0 0 384.505 3.179 20 30 GGEDRN C=CCN(CC=C)CC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000114723996 1412511576 /nfs/dbraw/zinc/51/15/76/1412511576.db2.gz DVPBVMHGVAWLEW-UHFFFAOYSA-N 0 0 388.464 3.271 20 30 GGEDRN CC[C@@H](C)C(=O)Nc1cccc(CNS(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000114737082 1412514862 /nfs/dbraw/zinc/51/48/62/1412514862.db2.gz FVNRTQGMVLGLBY-CQSZACIVSA-N 0 0 385.489 3.330 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)Oc1ccccc1C(=O)NC1CCCC1 ZINC000114737596 1412514895 /nfs/dbraw/zinc/51/48/95/1412514895.db2.gz UBZOIDJOXDVIMZ-UHFFFAOYSA-N 0 0 384.457 3.307 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000114737009 1412514912 /nfs/dbraw/zinc/51/49/12/1412514912.db2.gz BFPLHIIIZMLFFJ-CQSZACIVSA-N 0 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392.452 3.486 20 30 GGEDRN CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000114873791 1412542909 /nfs/dbraw/zinc/54/29/09/1412542909.db2.gz OLJAUDHBBSOCGY-GFCCVEGCSA-N 0 0 377.397 3.377 20 30 GGEDRN CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000114874078 1412543101 /nfs/dbraw/zinc/54/31/01/1412543101.db2.gz NZYPTFPAVZIZBN-CYBMUJFWSA-N 0 0 389.433 3.247 20 30 GGEDRN CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000114904139 1412544690 /nfs/dbraw/zinc/54/46/90/1412544690.db2.gz LMGUDSUWSGEBSE-MRXNPFEDSA-N 0 0 378.432 3.340 20 30 GGEDRN N#CCc1ccc(OCc2ccccc2NC(=O)NCCn2cccn2)cc1 ZINC000114903365 1412544804 /nfs/dbraw/zinc/54/48/04/1412544804.db2.gz VJGSFXXTKLTZCL-UHFFFAOYSA-N 0 0 375.432 3.350 20 30 GGEDRN C=CCc1cc(CNC(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc(OC)c1OC ZINC000114949658 1412555845 /nfs/dbraw/zinc/55/58/45/1412555845.db2.gz PFKNWPLEMHRNBW-KRWDZBQOSA-N 0 0 384.480 3.245 20 30 GGEDRN C=CCc1cc(CNC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc(OC)c1OC ZINC000114949660 1412555882 /nfs/dbraw/zinc/55/58/82/1412555882.db2.gz PFKNWPLEMHRNBW-QGZVFWFLSA-N 0 0 384.480 3.245 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)ccc1OC ZINC000114968662 1412557970 /nfs/dbraw/zinc/55/79/70/1412557970.db2.gz YNEGBRZHWFKTAW-IAGOWNOFSA-N 0 0 397.479 3.188 20 30 GGEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCn2cccn2)cc1 ZINC000114972447 1412559185 /nfs/dbraw/zinc/55/91/85/1412559185.db2.gz TVAXLJMELAPDCM-UHFFFAOYSA-N 0 0 377.423 3.306 20 30 GGEDRN Cc1sc(=O)n(CCC(=O)Nc2cccc(C#Cc3ccccn3)c2)c1C ZINC000115015289 1412568222 /nfs/dbraw/zinc/56/82/22/1412568222.db2.gz DOWJUKUEJQKEBE-UHFFFAOYSA-N 0 0 377.469 3.350 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1sc(-c2cnn(C)c2)nc1C ZINC000115022091 1412569461 /nfs/dbraw/zinc/56/94/61/1412569461.db2.gz IYCNBWHBBXPUBG-UHFFFAOYSA-N 0 0 395.488 3.013 20 30 GGEDRN CCc1nc(COc2ccc(C(=O)N(C)Cc3cccc(C#N)c3)cc2)no1 ZINC000115021129 1412569480 /nfs/dbraw/zinc/56/94/80/1412569480.db2.gz KLQDPPLBPVFJFV-UHFFFAOYSA-N 0 0 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COCCOC1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000116826921 1412934544 /nfs/dbraw/zinc/93/45/44/1412934544.db2.gz XKDHBJNOIWSGJU-UHFFFAOYSA-N 0 0 394.471 3.405 20 30 GGEDRN C=CC[C@@H](C)NC(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000116854148 1412942134 /nfs/dbraw/zinc/94/21/34/1412942134.db2.gz NQIYQCBZTIERJL-CQSZACIVSA-N 0 0 390.530 3.190 20 30 GGEDRN C=CC[C@@H](C)NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000116850728 1412942663 /nfs/dbraw/zinc/94/26/63/1412942663.db2.gz SRRHFJMFYPOYNB-CQSZACIVSA-N 0 0 394.518 3.033 20 30 GGEDRN C=CC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000116858493 1412943324 /nfs/dbraw/zinc/94/33/24/1412943324.db2.gz HGOGPQYJAYGFJW-VYDXJSESSA-N 0 0 394.537 3.247 20 30 GGEDRN C=CC[C@H](C)NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC ZINC000116858401 1412943528 /nfs/dbraw/zinc/94/35/28/1412943528.db2.gz OUFBOWNNMPXJTG-AWEZNQCLSA-N 0 0 378.428 3.186 20 30 GGEDRN Cc1ccc([C@H]2COCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)o1 ZINC000116865583 1412944669 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GGEDRN C=CCn1c(Sc2cnn(C)c(=O)c2Cl)nnc1-c1ccccc1OC ZINC000116932314 1412957020 /nfs/dbraw/zinc/95/70/20/1412957020.db2.gz BCMWGGKSQWPUAU-UHFFFAOYSA-N 0 0 389.868 3.038 20 30 GGEDRN N#Cc1cccc(CNC(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)c1 ZINC000116945136 1412961501 /nfs/dbraw/zinc/96/15/01/1412961501.db2.gz MOKXMIYRYWQINE-INIZCTEOSA-N 0 0 386.402 3.238 20 30 GGEDRN C=CCOc1ccccc1CNC(=O)Nc1cccc(CS(C)(=O)=O)c1C ZINC000117016601 1412979614 /nfs/dbraw/zinc/97/96/14/1412979614.db2.gz JIRPFNWTHVVWPX-UHFFFAOYSA-N 0 0 388.489 3.426 20 30 GGEDRN COCC[S@](=O)Cc1cccc(NC(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC000117018584 1412980732 /nfs/dbraw/zinc/98/07/32/1412980732.db2.gz UBRDRLYLPVHQTQ-HHHXNRCGSA-N 0 0 385.489 3.117 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccc(F)cc23)cc1 ZINC000117072432 1412992736 /nfs/dbraw/zinc/99/27/36/1412992736.db2.gz IZESRSFDQYVQPP-UHFFFAOYSA-N 0 0 392.434 3.406 20 30 GGEDRN C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1 ZINC000117076627 1412993930 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C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000121817489 1414267250 /nfs/dbraw/zinc/26/72/50/1414267250.db2.gz YVSQOZAGSKAOQJ-HXUWFJFHSA-N 0 0 380.444 3.008 20 30 GGEDRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(C(C)(C)C)s2)[C@@H](C#N)C1 ZINC000121830870 1414271738 /nfs/dbraw/zinc/27/17/38/1414271738.db2.gz PPFLCVVIBPSAFN-LBPRGKRZSA-N 0 0 378.498 3.026 20 30 GGEDRN C[C@H](CCc1ccccc1F)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000121833245 1414272169 /nfs/dbraw/zinc/27/21/69/1414272169.db2.gz JBDHDGKLPZSNGE-WBVHZDCISA-N 0 0 389.471 3.366 20 30 GGEDRN CCCn1c(CO)nnc1SCC(=O)c1cn(CCC#N)c2ccccc12 ZINC000121832809 1414272328 /nfs/dbraw/zinc/27/23/28/1414272328.db2.gz XTSGPGWADFAVBW-UHFFFAOYSA-N 0 0 383.477 3.024 20 30 GGEDRN CC(C)c1csc(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1 ZINC000121840187 1414274999 /nfs/dbraw/zinc/27/49/99/1414274999.db2.gz FIQIRZYSFLPFNU-KRWDZBQOSA-N 0 0 383.521 3.186 20 30 GGEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccccc2Cl)cc1 ZINC000121840416 1414275117 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APRVLSIOUPKJPK-AWEZNQCLSA-N 0 0 389.406 3.380 20 30 GGEDRN C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ccc(Cl)s1 ZINC000121907746 1414302395 /nfs/dbraw/zinc/30/23/95/1414302395.db2.gz XWOTXMYGGGALAE-NWDGAFQWSA-N 0 0 383.901 3.476 20 30 GGEDRN C[C@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1sccc1C(N)=O ZINC000121909016 1414302795 /nfs/dbraw/zinc/30/27/95/1414302795.db2.gz JGRYBIRNCAWEOU-JTQLQIEISA-N 0 0 386.502 3.112 20 30 GGEDRN C[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000121908813 1414303056 /nfs/dbraw/zinc/30/30/56/1414303056.db2.gz PRWCTTFLRNDZJI-LLVKDONJSA-N 0 0 393.472 3.121 20 30 GGEDRN C=C(Br)CNC(=O)C(=O)Nc1ccc(C)c(OCCC(C)C)c1 ZINC000121920391 1414307795 /nfs/dbraw/zinc/30/77/95/1414307795.db2.gz GMGMPTMZNOFZQV-UHFFFAOYSA-N 0 0 383.286 3.383 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1 ZINC000121928141 1414310399 /nfs/dbraw/zinc/31/03/99/1414310399.db2.gz AJDYYNFLNVDWNA-IBGZPJMESA-N 0 0 395.503 3.088 20 30 GGEDRN 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GGEDRN CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC000121966105 1414326286 /nfs/dbraw/zinc/32/62/86/1414326286.db2.gz IMZBCSIRCVQROR-CABCVRRESA-N 0 0 390.427 3.401 20 30 GGEDRN N#CCCN(CCC#N)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000121968281 1414326992 /nfs/dbraw/zinc/32/69/92/1414326992.db2.gz BIHBEUVEDLPMFD-MRXNPFEDSA-N 0 0 381.461 3.148 20 30 GGEDRN CCOC(=O)C[C@H](C)CNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000121989280 1414333590 /nfs/dbraw/zinc/33/35/90/1414333590.db2.gz NTCDOSSKDMLLPL-INIZCTEOSA-N 0 0 380.444 3.456 20 30 GGEDRN C=CCn1c(S[C@H](C)c2nc(-c3nc[nH]n3)no2)nnc1-c1ccc(F)cc1 ZINC000121994839 1414334940 /nfs/dbraw/zinc/33/49/40/1414334940.db2.gz FICHZQHXRUOENG-SNVBAGLBSA-N 0 0 398.427 3.292 20 30 GGEDRN Cc1c(C(=O)Nc2ccc(F)cc2C#N)nnn1-c1ccc(OC(F)F)cc1 ZINC000177573175 1428799406 /nfs/dbraw/zinc/79/94/06/1428799406.db2.gz CSPHNWQSECOLNY-UHFFFAOYSA-N 0 0 387.321 3.440 20 30 GGEDRN CC[C@H](Cc1ccc(C)cc1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000121996844 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BQRBUOPDSWHJTL-UHFFFAOYSA-N 0 0 386.337 3.479 20 30 GGEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(=O)n(C)c2)cc1 ZINC000128992865 1416121569 /nfs/dbraw/zinc/12/15/69/1416121569.db2.gz XHHAGCOEPHWTEZ-UHFFFAOYSA-N 0 0 375.384 3.310 20 30 GGEDRN COc1ccc(Br)c(CC(=O)[C@@H](C#N)C(=O)NC2CCCCC2)c1 ZINC000178413604 1429072487 /nfs/dbraw/zinc/07/24/87/1429072487.db2.gz YBUMAIITWDRSQJ-OAHLLOKOSA-N 0 0 393.281 3.158 20 30 GGEDRN COc1ccc(CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1Cl ZINC000129015961 1416126026 /nfs/dbraw/zinc/12/60/26/1416126026.db2.gz DUKRPIHTLKMNSG-UHFFFAOYSA-N 0 0 397.866 3.129 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000178369994 1429063434 /nfs/dbraw/zinc/06/34/34/1429063434.db2.gz ULKHURNQIOJCOA-LJQANCHMSA-N 0 0 397.500 3.047 20 30 GGEDRN C=CCSc1ccccc1NC(=O)CNc1ccc(F)c(-n2nnnc2C)c1 ZINC000178371903 1429063731 /nfs/dbraw/zinc/06/37/31/1429063731.db2.gz XTSOGMODKXWLIO-UHFFFAOYSA-N 0 0 398.467 3.439 20 30 GGEDRN N#CCOc1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000178373167 1429063881 /nfs/dbraw/zinc/06/38/81/1429063881.db2.gz XJJGXGXABLGCQC-UHFFFAOYSA-N 0 0 380.404 3.371 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cnn(-c2ccccc2)c1C ZINC000129066108 1416137309 /nfs/dbraw/zinc/13/73/09/1416137309.db2.gz PFPPVIQXWJNGJI-UHFFFAOYSA-N 0 0 376.464 3.479 20 30 GGEDRN CCOc1ccc2[nH]c(SCCS(=O)(=O)c3ccc(C#N)cc3)nc2c1 ZINC000178413623 1429072663 /nfs/dbraw/zinc/07/26/63/1429072663.db2.gz AUXVLSBIMSBFHJ-UHFFFAOYSA-N 0 0 387.486 3.399 20 30 GGEDRN N#CCCCCNC(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000178377804 1429064972 /nfs/dbraw/zinc/06/49/72/1429064972.db2.gz HNTYYUHIYWTDMJ-ZDUSSCGKSA-N 0 0 394.401 3.331 20 30 GGEDRN CNC(=O)c1cc(Br)ccc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000129081696 1416140198 /nfs/dbraw/zinc/14/01/98/1416140198.db2.gz OQUHKLXUGRGGPP-UHFFFAOYSA-N 0 0 394.175 3.211 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000178380267 1429065549 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C[C@@H]1C[C@@H](C)CN(C(=O)CON=C(N)c2ccc(Oc3ccccc3)nc2)C1 ZINC000129163305 1416160032 /nfs/dbraw/zinc/16/00/32/1416160032.db2.gz RLEQHPLZJZDEEX-HZPDHXFCSA-N 0 0 382.464 3.015 20 30 GGEDRN C=CCNc1ncc(C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)s1 ZINC000129169676 1416161679 /nfs/dbraw/zinc/16/16/79/1416161679.db2.gz UYFALEFEMLWRNO-UHFFFAOYSA-N 0 0 380.514 3.307 20 30 GGEDRN N#CCCSc1ccccc1NC(=O)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000129180588 1416164194 /nfs/dbraw/zinc/16/41/94/1416164194.db2.gz RHCLKUSLAACYKZ-MBOZVWFJSA-N 0 0 391.496 3.333 20 30 GGEDRN N#Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)c1 ZINC000129187123 1416166516 /nfs/dbraw/zinc/16/65/16/1416166516.db2.gz LEWQCXNIBDCJIV-KRWDZBQOSA-N 0 0 394.500 3.449 20 30 GGEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000129200990 1416168966 /nfs/dbraw/zinc/16/89/66/1416168966.db2.gz HIQLEMZNKPUHII-GOSISDBHSA-N 0 0 386.492 3.388 20 30 GGEDRN COc1ccc([C@H]2[C@H](C(=O)Nc3cccc(C#N)c3C)CCC(=O)N2C)cc1 ZINC000178405641 1429071078 /nfs/dbraw/zinc/07/10/78/1429071078.db2.gz PJRUMHJSKKASBO-NQIIRXRSSA-N 0 0 377.444 3.424 20 30 GGEDRN COc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(C#N)c3C)CCC(=O)N2C)cc1 ZINC000178405648 1429071161 /nfs/dbraw/zinc/07/11/61/1429071161.db2.gz PJRUMHJSKKASBO-RXVVDRJESA-N 0 0 377.444 3.424 20 30 GGEDRN N#CCCN(CC1CC1)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000129204788 1416170256 /nfs/dbraw/zinc/17/02/56/1416170256.db2.gz UVGHWPKHVGWNDM-UHFFFAOYSA-N 0 0 378.358 3.444 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O ZINC000178404338 1429071362 /nfs/dbraw/zinc/07/13/62/1429071362.db2.gz AXZAACLHFVQMTH-UHFFFAOYSA-N 0 0 396.406 3.310 20 30 GGEDRN Cc1cnn(CCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 ZINC000129207048 1416170904 /nfs/dbraw/zinc/17/09/04/1416170904.db2.gz XBRVRGXQCITFDC-UHFFFAOYSA-N 0 0 384.490 3.236 20 30 GGEDRN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cccc(C#N)c3C)CCC(=O)N2C)cc1 ZINC000178405633 1429071461 /nfs/dbraw/zinc/07/14/61/1429071461.db2.gz PJRUMHJSKKASBO-GHTZIAJQSA-N 0 0 377.444 3.424 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2CC)cc1 ZINC000129211155 1416171300 /nfs/dbraw/zinc/17/13/00/1416171300.db2.gz UNSNTIYELQQDCK-MAUKXSAKSA-N 0 0 386.496 3.360 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(C)[C@H]2CCCC[C@@H]2CC)cc1 ZINC000129210755 1416171515 /nfs/dbraw/zinc/17/15/15/1416171515.db2.gz UNSNTIYELQQDCK-YJBOKZPZSA-N 0 0 386.496 3.360 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000178407900 1429071963 /nfs/dbraw/zinc/07/19/63/1429071963.db2.gz YTFGHWSYIYZVAX-SFHVURJKSA-N 0 0 375.432 3.195 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)CSCC(=O)Nc1cccc(C#N)c1C ZINC000178406100 1429071985 /nfs/dbraw/zinc/07/19/85/1429071985.db2.gz BCHCMUCJDXTGPF-UHFFFAOYSA-N 0 0 378.457 3.357 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000178407831 1429071992 /nfs/dbraw/zinc/07/19/92/1429071992.db2.gz OSRXAIRACHRJEM-UHFFFAOYSA-N 0 0 393.262 3.285 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)N1CCc2ccccc2[C@H]1CO ZINC000178407508 1429072018 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N#Cc1ncn(CC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)n1 ZINC000178430207 1429075207 /nfs/dbraw/zinc/07/52/07/1429075207.db2.gz GPPGNMWLSQOFGZ-JTQLQIEISA-N 0 0 382.276 3.074 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccccc2C[S@](C)=O)c1 ZINC000129310847 1416189032 /nfs/dbraw/zinc/18/90/32/1416189032.db2.gz AFRYNMWJAAAFBD-HHHXNRCGSA-N 0 0 386.473 3.097 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000178429316 1429075388 /nfs/dbraw/zinc/07/53/88/1429075388.db2.gz OFFNWQKIPXXUMM-INIZCTEOSA-N 0 0 383.473 3.075 20 30 GGEDRN COC(=O)Cc1cccc(NCC(=O)N(CCC#N)c2ccc(C)c(C)c2)c1 ZINC000129316472 1416190112 /nfs/dbraw/zinc/19/01/12/1416190112.db2.gz JHLZEMIZTGUNHW-UHFFFAOYSA-N 0 0 379.460 3.378 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(-n3cccn3)cc2)c1 ZINC000129331443 1416192176 /nfs/dbraw/zinc/19/21/76/1416192176.db2.gz SKAITTMWZABOAW-UHFFFAOYSA-N 0 0 376.416 3.404 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2nc(-c3nccn3C)cs2)c1 ZINC000129331711 1416192804 /nfs/dbraw/zinc/19/28/04/1416192804.db2.gz ZSUXSITYRPYSRX-UHFFFAOYSA-N 0 0 397.460 3.076 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000178427165 1429075547 /nfs/dbraw/zinc/07/55/47/1429075547.db2.gz GOZKGJILMFYNBG-UHFFFAOYSA-N 0 0 375.350 3.483 20 30 GGEDRN CN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000129336115 1416193048 /nfs/dbraw/zinc/19/30/48/1416193048.db2.gz XVXFDKDLACIPHD-CQSZACIVSA-N 0 0 396.802 3.090 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2cccc(Cn3cccn3)c2)c1 ZINC000129335892 1416193071 /nfs/dbraw/zinc/19/30/71/1416193071.db2.gz KWIFZEDBPMHHNI-UHFFFAOYSA-N 0 0 376.416 3.073 20 30 GGEDRN CC(C)(C)n1cc(C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)cn1 ZINC000129340452 1416194010 /nfs/dbraw/zinc/19/40/10/1416194010.db2.gz NHLNELMVBRDQFI-UHFFFAOYSA-N 0 0 388.475 3.020 20 30 GGEDRN CC(C)(CO)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1 ZINC000129349364 1416194955 /nfs/dbraw/zinc/19/49/55/1416194955.db2.gz SQIAIGFMWMZTBH-QGZVFWFLSA-N 0 0 392.908 3.292 20 30 GGEDRN N#CCCn1cc(CNc2cccc(NC(=O)CO)c2)c(-c2ccccc2)n1 ZINC000129347196 1416194975 /nfs/dbraw/zinc/19/49/75/1416194975.db2.gz WKWKWKQNDPWHKX-UHFFFAOYSA-N 0 0 375.432 3.007 20 30 GGEDRN CC(C)(CO)[C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000129359237 1416196467 /nfs/dbraw/zinc/19/64/67/1416196467.db2.gz CWWMWOBDUNBQPB-QGZVFWFLSA-N 0 0 392.908 3.292 20 30 GGEDRN CC(C)(CO)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000129359015 1416196543 /nfs/dbraw/zinc/19/65/43/1416196543.db2.gz CWWMWOBDUNBQPB-KRWDZBQOSA-N 0 0 392.908 3.292 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)CN(C)Cc2ccc([S@](C)=O)cc2)cc1C ZINC000178433227 1429075946 /nfs/dbraw/zinc/07/59/46/1429075946.db2.gz HNGZYQHJNFJYOU-NDEPHWFRSA-N 0 0 397.544 3.420 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)Nc2cccc(Cn3cccn3)c2)c1 ZINC000129383414 1416200633 /nfs/dbraw/zinc/20/06/33/1416200633.db2.gz BPWAMIHKKLQRLS-UHFFFAOYSA-N 0 0 379.807 3.034 20 30 GGEDRN C=CCNc1ncc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000129386271 1416200855 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C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000129455075 1416212261 /nfs/dbraw/zinc/21/22/61/1416212261.db2.gz BWAKUEYMHSLLJE-DLBZAZTESA-N 0 0 388.537 3.409 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000129455498 1416212466 /nfs/dbraw/zinc/21/24/66/1416212466.db2.gz BWAKUEYMHSLLJE-IRXDYDNUSA-N 0 0 388.537 3.409 20 30 GGEDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000129468078 1416214101 /nfs/dbraw/zinc/21/41/01/1416214101.db2.gz KMRXQEIHQANZPY-BRWVUGGUSA-N 0 0 395.484 3.209 20 30 GGEDRN COc1ccccc1[C@@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccccn1 ZINC000129500340 1416219166 /nfs/dbraw/zinc/21/91/66/1416219166.db2.gz QITHIQCGSAWEAS-HSZRJFAPSA-N 0 0 387.439 3.441 20 30 GGEDRN C=CCN(C(=O)c1cncc(-c2ccc(Cl)cc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000129499511 1416219181 /nfs/dbraw/zinc/21/91/81/1416219181.db2.gz DXXYWKUONSSLDL-SFHVURJKSA-N 0 0 390.892 3.217 20 30 GGEDRN N#Cc1ncn(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)n1 ZINC000178438665 1429077883 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Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)[C@@H](C)CC#N ZINC000132294812 1416730857 /nfs/dbraw/zinc/73/08/57/1416730857.db2.gz RIZNBFBFIJWXIO-INIZCTEOSA-N 0 0 390.443 3.145 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000132294259 1416730968 /nfs/dbraw/zinc/73/09/68/1416730968.db2.gz RFWHBJFEHNLHIX-UHFFFAOYSA-N 0 0 388.349 3.125 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000132314707 1416733500 /nfs/dbraw/zinc/73/35/00/1416733500.db2.gz YJLDHTRXTVYAAH-TZIWHRDSSA-N 0 0 380.492 3.383 20 30 GGEDRN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2cccc(C#N)c2C)C1 ZINC000178627567 1429124483 /nfs/dbraw/zinc/12/44/83/1429124483.db2.gz XCBXDBLYWQLKTF-IBGZPJMESA-N 0 0 376.416 3.003 20 30 GGEDRN COc1cc(N[C@@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000178643762 1429127935 /nfs/dbraw/zinc/12/79/35/1429127935.db2.gz FEQQAGVPSOHQDH-GOSISDBHSA-N 0 0 379.460 3.221 20 30 GGEDRN Cc1nc(CONC(N)=CC(=O)N2CCCCC2)oc1-c1ccc(Cl)cc1 ZINC000132335747 1416739953 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GGEDRN CC(=O)N(c1nc(Cn2c(C)nc(C#N)c2C#N)cs1)c1ccc(C)cc1 ZINC000135479866 1417225589 /nfs/dbraw/zinc/22/55/89/1417225589.db2.gz RSZMWEXWWKBSLI-UHFFFAOYSA-N 0 0 376.445 3.433 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCC(=NOCCCC(C)(C)C#N)CC2)cc1 ZINC000135483120 1417225970 /nfs/dbraw/zinc/22/59/70/1417225970.db2.gz BEGJCFLRAQXZHP-UHFFFAOYSA-N 0 0 377.510 3.482 20 30 GGEDRN CC(C)(C#N)CCCN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000135489259 1417227073 /nfs/dbraw/zinc/22/70/73/1417227073.db2.gz YUPUMHKBJWZICP-KRWDZBQOSA-N 0 0 375.494 3.058 20 30 GGEDRN CC(C)c1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000135492731 1417228205 /nfs/dbraw/zinc/22/82/05/1417228205.db2.gz UPSINPSPFXYSQQ-SFHVURJKSA-N 0 0 379.464 3.222 20 30 GGEDRN CC[C@H]1C(=O)NCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000135507358 1417230714 /nfs/dbraw/zinc/23/07/14/1417230714.db2.gz HHDUOIWGLAOHEC-FQEVSTJZSA-N 0 0 392.459 3.074 20 30 GGEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC(C)(C)C)c1 ZINC000135523253 1417232868 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C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc2c(c1)NC(=O)CO2 ZINC000178790048 1429170507 /nfs/dbraw/zinc/17/05/07/1429170507.db2.gz TVELKRPQGBLEHW-WMLDXEAASA-N 0 0 378.432 3.423 20 30 GGEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(C3CCCC3)[nH]n2)cc1 ZINC000135694186 1417259210 /nfs/dbraw/zinc/25/92/10/1417259210.db2.gz OZOQKULPHLNDDT-UHFFFAOYSA-N 0 0 386.477 3.397 20 30 GGEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@H](CCO)c1ccccc1 ZINC000178792116 1429171068 /nfs/dbraw/zinc/17/10/68/1429171068.db2.gz UZIIQRAWMDRJGY-AWEZNQCLSA-N 0 0 398.406 3.022 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccc(OC(F)(F)F)cc1 ZINC000135785137 1417268095 /nfs/dbraw/zinc/26/80/95/1417268095.db2.gz QONKNGSYZJWARA-JTQLQIEISA-N 0 0 395.312 3.412 20 30 GGEDRN O=C(C#Cc1ccc2c(c1)OCO2)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000135821659 1417270880 /nfs/dbraw/zinc/27/08/80/1417270880.db2.gz BEDHMSZGGTVBSH-LJQANCHMSA-N 0 0 387.794 3.159 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccc(OC(F)F)cc1 ZINC000135829116 1417271741 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GGEDRN Cc1cc(C(=O)N[C@H](C(N)=O)c2ccc(F)cc2)c(C)n1-c1ccc(C#N)cc1 ZINC000137108750 1417368769 /nfs/dbraw/zinc/36/87/69/1417368769.db2.gz OCBVZSUJQCUNBG-FQEVSTJZSA-N 0 0 390.418 3.061 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2c(C)noc2C2CC2)cc1 ZINC000137122413 1417369074 /nfs/dbraw/zinc/36/90/74/1417369074.db2.gz GVHZHSRCVIZJLJ-UHFFFAOYSA-N 0 0 390.465 3.311 20 30 GGEDRN COc1cc(-c2noc(CS(=O)(=O)Cc3ccc(C#N)cc3)n2)ccc1C ZINC000137162578 1417371780 /nfs/dbraw/zinc/37/17/80/1417371780.db2.gz LLRDKCYPQXKYEO-UHFFFAOYSA-N 0 0 383.429 3.040 20 30 GGEDRN CC[C@@](C)(CCO)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000137155417 1417371817 /nfs/dbraw/zinc/37/18/17/1417371817.db2.gz AJSIABJWSQNPIO-NRFANRHFSA-N 0 0 380.448 3.483 20 30 GGEDRN COc1cc(-c2noc(CS(=O)(=O)Cc3cccc(C#N)c3)n2)ccc1C ZINC000137158223 1417371974 /nfs/dbraw/zinc/37/19/74/1417371974.db2.gz ARAGWFFFUQOBHO-UHFFFAOYSA-N 0 0 383.429 3.040 20 30 GGEDRN COc1cc(-c2noc(CS(=O)(=O)CCCC(C)(C)C#N)n2)ccc1C ZINC000137159333 1417372099 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GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(C)c2Br)c1 ZINC000179249016 1429304212 /nfs/dbraw/zinc/30/42/12/1429304212.db2.gz GOMRIMRBHUMRRM-UHFFFAOYSA-N 0 0 385.261 3.450 20 30 GGEDRN CC[C@H](C#N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000179247083 1429304289 /nfs/dbraw/zinc/30/42/89/1429304289.db2.gz XBSYANBHYMBYFW-WEOJZSAUSA-N 0 0 393.531 3.349 20 30 GGEDRN CCOC(=O)CN([C@H](C)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000179276403 1429312032 /nfs/dbraw/zinc/31/20/32/1429312032.db2.gz PAFQKDKEEJRAJD-MRXNPFEDSA-N 0 0 386.473 3.182 20 30 GGEDRN C[C@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@@H]1COc2ccccc21 ZINC000179280064 1429312715 /nfs/dbraw/zinc/31/27/15/1429312715.db2.gz CLZBGAJSOPVYAK-YJBOKZPZSA-N 0 0 394.450 3.094 20 30 GGEDRN COC[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CCO1 ZINC000179282649 1429313618 /nfs/dbraw/zinc/31/36/18/1429313618.db2.gz PJJNEBVRABAXLS-INIZCTEOSA-N 0 0 386.835 3.491 20 30 GGEDRN N#Cc1ccccc1N1CCCN(C(=O)c2csc([C@@H]3CCCO3)n2)CC1 ZINC000179300452 1429320197 /nfs/dbraw/zinc/32/01/97/1429320197.db2.gz XSGFVBKAOKEZCJ-SFHVURJKSA-N 0 0 382.489 3.219 20 30 GGEDRN CCS(=O)(=O)c1ccc(CCC(=O)N[C@H](C#N)c2ccccc2Cl)cc1 ZINC000179325596 1429329364 /nfs/dbraw/zinc/32/93/64/1429329364.db2.gz GXCXACPJKJEBDV-GOSISDBHSA-N 0 0 390.892 3.447 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c1C ZINC000179346379 1429337752 /nfs/dbraw/zinc/33/77/52/1429337752.db2.gz VJXQWFLDAZFQNW-AUUYWEPGSA-N 0 0 393.491 3.336 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)[C@H]2CCC[C@@H](C)C2)c1C ZINC000179346387 1429337873 /nfs/dbraw/zinc/33/78/73/1429337873.db2.gz VJXQWFLDAZFQNW-KUHUBIRLSA-N 0 0 393.491 3.336 20 30 GGEDRN C=C[C@@H](CC(=O)Nc1ccc(CC(=O)N[C@@H](CC)CO)cc1)c1ccccc1 ZINC000179360177 1429343454 /nfs/dbraw/zinc/34/34/54/1429343454.db2.gz PWXJLXGNAXNSNR-ICSRJNTNSA-N 0 0 380.488 3.415 20 30 GGEDRN Cc1nnc([C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C#N)cc2C)o1 ZINC000179364538 1429345602 /nfs/dbraw/zinc/34/56/02/1429345602.db2.gz IUUFCZRLUQLRAG-GOSISDBHSA-N 0 0 394.456 3.046 20 30 GGEDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000179374012 1429348807 /nfs/dbraw/zinc/34/88/07/1429348807.db2.gz CIOQXBUITCFDDD-OAHLLOKOSA-N 0 0 390.852 3.419 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@@H]2CCCC(C)(C)C2)cc1OC ZINC000179382692 1429351834 /nfs/dbraw/zinc/35/18/34/1429351834.db2.gz ONUULSBKROAEKN-IAGOWNOFSA-N 0 0 386.492 3.288 20 30 GGEDRN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)[C@@H]2CCCC(C)(C)C2)cc1OC ZINC000179382711 1429351911 /nfs/dbraw/zinc/35/19/11/1429351911.db2.gz ONUULSBKROAEKN-SJORKVTESA-N 0 0 386.492 3.288 20 30 GGEDRN CC[C@@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1c(C)noc1C ZINC000179394196 1429357591 /nfs/dbraw/zinc/35/75/91/1429357591.db2.gz AKVRNFFTQLCDQF-QGZVFWFLSA-N 0 0 385.443 3.285 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)NCC3(c4ccccc4Cl)CC3)CC2)nc1 ZINC000179400943 1429359558 /nfs/dbraw/zinc/35/95/58/1429359558.db2.gz IJZLIBQJRBOKKJ-UHFFFAOYSA-N 0 0 395.894 3.170 20 30 GGEDRN N#CCOc1cccc(CC(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179409468 1429363272 /nfs/dbraw/zinc/36/32/72/1429363272.db2.gz YVYZAUXOVHQBGN-QFIPXVFZSA-N 0 0 378.428 3.170 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000179425832 1429370575 /nfs/dbraw/zinc/37/05/75/1429370575.db2.gz PTNGKUSCACIMTL-MRXNPFEDSA-N 0 0 388.493 3.022 20 30 GGEDRN C=CCOc1cccc(CN2CCN(C(=O)c3ccc(OC)cc3OC)CC2)c1 ZINC000179416319 1429365824 /nfs/dbraw/zinc/36/58/24/1429365824.db2.gz BQKCYRXXNOYELC-UHFFFAOYSA-N 0 0 396.487 3.227 20 30 GGEDRN C[C@H](O)c1ccc(CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000179449026 1429380402 /nfs/dbraw/zinc/38/04/02/1429380402.db2.gz BAZWDQVLKUGOBU-VMEOHVCESA-N 0 0 394.475 3.196 20 30 GGEDRN C=C(Br)CNC(=O)N1CCC(OCc2ccccc2OC)CC1 ZINC000179449302 1429380541 /nfs/dbraw/zinc/38/05/41/1429380541.db2.gz RHDZIJCQWFCTRI-UHFFFAOYSA-N 0 0 383.286 3.294 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000179450634 1429381242 /nfs/dbraw/zinc/38/12/42/1429381242.db2.gz GEHACAFDBMXUAP-UHFFFAOYSA-N 0 0 399.397 3.022 20 30 GGEDRN Cc1cc(S(C)(=O)=O)cc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000179451083 1429381394 /nfs/dbraw/zinc/38/13/94/1429381394.db2.gz YUJHZMZKQOHUNQ-UHFFFAOYSA-N 0 0 382.485 3.383 20 30 GGEDRN CCCCCNC(=O)[C@@H](C#N)C(=O)Cc1cc(OC)ccc1Br ZINC000179456244 1429383285 /nfs/dbraw/zinc/38/32/85/1429383285.db2.gz WFYYKQCDLOAWKZ-AWEZNQCLSA-N 0 0 381.270 3.015 20 30 GGEDRN C=C[C@H](CC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000179460068 1429383566 /nfs/dbraw/zinc/38/35/66/1429383566.db2.gz URXBSWPZVQMREY-OAHLLOKOSA-N 0 0 392.908 3.094 20 30 GGEDRN C=C[C@@H](CC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccccc1 ZINC000179463900 1429384300 /nfs/dbraw/zinc/38/43/00/1429384300.db2.gz GVNORQZDGMLEMI-GHTZIAJQSA-N 0 0 378.472 3.272 20 30 GGEDRN C=C[C@H](CC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccccc1 ZINC000179463870 1429384307 /nfs/dbraw/zinc/38/43/07/1429384307.db2.gz GVNORQZDGMLEMI-NQIIRXRSSA-N 0 0 378.472 3.272 20 30 GGEDRN C=C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccccc1 ZINC000179463881 1429384488 /nfs/dbraw/zinc/38/44/88/1429384488.db2.gz GVNORQZDGMLEMI-WIYYLYMNSA-N 0 0 378.472 3.272 20 30 GGEDRN COc1ccc(-c2csc([C@H](C#N)C(=O)Nc3cccnc3OC)n2)cc1 ZINC000179471286 1429386147 /nfs/dbraw/zinc/38/61/47/1429386147.db2.gz UCIGOZQBKFCDAI-CQSZACIVSA-N 0 0 380.429 3.468 20 30 GGEDRN C=CCCOCCNC(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000179487157 1429390507 /nfs/dbraw/zinc/39/05/07/1429390507.db2.gz SDGNAKVYUMDPTO-UHFFFAOYSA-N 0 0 380.872 3.309 20 30 GGEDRN CC(C)n1cccc1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N ZINC000179486924 1429390509 /nfs/dbraw/zinc/39/05/09/1429390509.db2.gz TXNJAVLMIVKKQY-UHFFFAOYSA-N 0 0 394.454 3.210 20 30 GGEDRN CC(C)NC(=O)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000179488068 1429390928 /nfs/dbraw/zinc/39/09/28/1429390928.db2.gz LUJBPLNONRLXAS-KRWDZBQOSA-N 0 0 383.835 3.439 20 30 GGEDRN Cc1cc(F)ccc1-n1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)nn1 ZINC000179488039 1429390985 /nfs/dbraw/zinc/39/09/85/1429390985.db2.gz AOEMELKWSDHCEX-HNNXBMFYSA-N 0 0 397.797 3.329 20 30 GGEDRN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cn(-c3ccc(F)cc3C)nn2)cc1 ZINC000179488300 1429391129 /nfs/dbraw/zinc/39/11/29/1429391129.db2.gz OSCQOJNJMHXEMV-KRWDZBQOSA-N 0 0 391.406 3.238 20 30 GGEDRN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179497803 1429395516 /nfs/dbraw/zinc/39/55/16/1429395516.db2.gz MQKHRAMVZJEDFM-REOHEROTSA-N 0 0 398.555 3.181 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)CCc3nc4ccccc4[nH]3)CC2)nc1 ZINC000179492160 1429392404 /nfs/dbraw/zinc/39/24/04/1429392404.db2.gz BAHHCGNBUGUSCU-UHFFFAOYSA-N 0 0 389.459 3.269 20 30 GGEDRN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000179494667 1429394160 /nfs/dbraw/zinc/39/41/60/1429394160.db2.gz ZFJCLCDUSADXCL-ZDUSSCGKSA-N 0 0 393.447 3.414 20 30 GGEDRN C=C[C@H](CC(=O)N[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C)c1ccccc1 ZINC000179501978 1429397847 /nfs/dbraw/zinc/39/78/47/1429397847.db2.gz BXCZEOZFISHILG-CJNGLKHVSA-N 0 0 380.452 3.418 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H]2c2cccc(Cl)c2)n1 ZINC000179504983 1429399650 /nfs/dbraw/zinc/39/96/50/1429399650.db2.gz NYXGIMWVVUVPRY-INIZCTEOSA-N 0 0 399.882 3.465 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)n1 ZINC000179504760 1429400130 /nfs/dbraw/zinc/40/01/30/1429400130.db2.gz GXCXNTPYVBUIRQ-INIZCTEOSA-N 0 0 399.882 3.465 20 30 GGEDRN CC[C@H]1c2ccsc2CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000179516287 1429405002 /nfs/dbraw/zinc/40/50/02/1429405002.db2.gz JAFUCSGJAUXRPF-AWEZNQCLSA-N 0 0 385.493 3.046 20 30 GGEDRN CC[C@@H](C#N)NC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C ZINC000179522570 1429408671 /nfs/dbraw/zinc/40/86/71/1429408671.db2.gz GWSOYZGAUARFPY-ZDUSSCGKSA-N 0 0 378.354 3.109 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCCC2)n1 ZINC000179526212 1429410086 /nfs/dbraw/zinc/41/00/86/1429410086.db2.gz GFMMUHCDRLFZKC-GOSISDBHSA-N 0 0 379.464 3.322 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC000179531663 1429413088 /nfs/dbraw/zinc/41/30/88/1429413088.db2.gz LRFUGHWQNWGSCV-KRWDZBQOSA-N 0 0 395.369 3.338 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000179531675 1429413251 /nfs/dbraw/zinc/41/32/51/1429413251.db2.gz LRFUGHWQNWGSCV-QGZVFWFLSA-N 0 0 395.369 3.338 20 30 GGEDRN N#Cc1ccc(CN(C(=O)NCc2cccnc2OCC(F)F)C2CC2)cc1 ZINC000179539667 1429418428 /nfs/dbraw/zinc/41/84/28/1429418428.db2.gz KBDDRTPVVGMONC-UHFFFAOYSA-N 0 0 386.402 3.471 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC(C)(C)c2ccc(Cl)cc2)n1 ZINC000179545445 1429422197 /nfs/dbraw/zinc/42/21/97/1429422197.db2.gz WCCZCOGUUOPHOE-UHFFFAOYSA-N 0 0 387.871 3.022 20 30 GGEDRN CC(C)(C)c1cc(NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)c(C#N)s1 ZINC000179545773 1429422305 /nfs/dbraw/zinc/42/23/05/1429422305.db2.gz ISGSXWRQNRXITA-AWEZNQCLSA-N 0 0 395.484 3.375 20 30 GGEDRN CC(C)(C)c1cc(NC(=O)CCc2nc(-c3ncccn3)no2)c(C#N)s1 ZINC000179544736 1429422378 /nfs/dbraw/zinc/42/23/78/1429422378.db2.gz NLAIPAYLBDGORK-UHFFFAOYSA-N 0 0 382.449 3.329 20 30 GGEDRN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](C#N)c1ccccc1Cl ZINC000179551472 1429426546 /nfs/dbraw/zinc/42/65/46/1429426546.db2.gz RSSJCDRKEKQXTF-UYAOXDASSA-N 0 0 383.879 3.404 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)NCc1cccnc1OCC(F)F ZINC000179555866 1429429471 /nfs/dbraw/zinc/42/94/71/1429429471.db2.gz JVDVDAYVHAOVAQ-UHFFFAOYSA-N 0 0 376.363 3.318 20 30 GGEDRN N#C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)c1ccccc1Cl ZINC000179553647 1429427897 /nfs/dbraw/zinc/42/78/97/1429427897.db2.gz DNRYSGWLLWYDTN-MOPGFXCFSA-N 0 0 381.863 3.255 20 30 GGEDRN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C#N)c1ccccc1Cl ZINC000179550739 1429425530 /nfs/dbraw/zinc/42/55/30/1429425530.db2.gz JTFCLIIJZQGTTO-VQTJNVASSA-N 0 0 394.862 3.250 20 30 GGEDRN Cc1ccc2c(c1)[C@H](NC(=O)N1CCN(c3ncccc3C#N)CC1)CCC2 ZINC000179572161 1429442829 /nfs/dbraw/zinc/44/28/29/1429442829.db2.gz HRICAQHDGUADSQ-HXUWFJFHSA-N 0 0 375.476 3.171 20 30 GGEDRN C[C@@H]1c2cccn2CCN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000179576229 1429446482 /nfs/dbraw/zinc/44/64/82/1429446482.db2.gz HQFJSABDDJUWJK-FAEJEUNOSA-N 0 0 379.464 3.231 20 30 GGEDRN C=C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1)c1ccccc1 ZINC000179578197 1429448264 /nfs/dbraw/zinc/44/82/64/1429448264.db2.gz WQBZWZHRBFIKMC-HNNXBMFYSA-N 0 0 388.489 3.244 20 30 GGEDRN C=CC[N@@H+](Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1 ZINC000823919801 1429459750 /nfs/dbraw/zinc/45/97/50/1429459750.db2.gz RHEQQXGNBZBFJN-UHFFFAOYSA-N 0 0 385.475 3.455 20 30 GGEDRN COc1cc(C#N)ccc1CSc1nn2c(nnc(C(C)(C)C)c2=O)s1 ZINC000179598969 1429463791 /nfs/dbraw/zinc/46/37/91/1429463791.db2.gz DKOIRNYEGIQNTO-UHFFFAOYSA-N 0 0 387.490 3.016 20 30 GGEDRN CCN(Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000179598927 1429463996 /nfs/dbraw/zinc/46/39/96/1429463996.db2.gz MBKHKJJNFTVYAZ-FQEVSTJZSA-N 0 0 384.501 3.146 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)n1 ZINC000179614900 1429471610 /nfs/dbraw/zinc/47/16/10/1429471610.db2.gz VEKFJXISTTYMKY-QGZVFWFLSA-N 0 0 393.491 3.377 20 30 GGEDRN N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccnc(OCC(F)F)c1 ZINC000179611029 1429470351 /nfs/dbraw/zinc/47/03/51/1429470351.db2.gz OFQXZHCCNSWFCK-ZDUSSCGKSA-N 0 0 379.750 3.340 20 30 GGEDRN Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)cnn1-c1ccccn1 ZINC000179610820 1429470397 /nfs/dbraw/zinc/47/03/97/1429470397.db2.gz LXUBMTWIWHOYJP-HNNXBMFYSA-N 0 0 379.807 3.190 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCC(C)(C)c3ccccc32)n1 ZINC000179614890 1429471426 /nfs/dbraw/zinc/47/14/26/1429471426.db2.gz VEKFJXISTTYMKY-KRWDZBQOSA-N 0 0 393.491 3.377 20 30 GGEDRN C=CCN(Cc1ccccc1F)C(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000179621824 1429475348 /nfs/dbraw/zinc/47/53/48/1429475348.db2.gz SQPFRDRQNSBKAR-UHFFFAOYSA-N 0 0 381.382 3.339 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)Nc2nnc(/C=C/c3ccco3)s2)c1 ZINC000179615900 1429472203 /nfs/dbraw/zinc/47/22/03/1429472203.db2.gz UPACHYJDBMWMDZ-CMDGGOBGSA-N 0 0 393.428 3.043 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)CCc2cccc3ccccc32)n1 ZINC000179628870 1429479104 /nfs/dbraw/zinc/47/91/04/1429479104.db2.gz OSKAMHYHQQCVQW-UHFFFAOYSA-N 0 0 389.459 3.128 20 30 GGEDRN CC(C)(COc1ncccc1C(F)(F)F)NC(=O)Nc1ccn(CCC#N)n1 ZINC000179638639 1429484170 /nfs/dbraw/zinc/48/41/70/1429484170.db2.gz ZIMAUTUHXBYZES-UHFFFAOYSA-N 0 0 396.373 3.190 20 30 GGEDRN C[C@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000179646139 1429487818 /nfs/dbraw/zinc/48/78/18/1429487818.db2.gz FZPQJXUVJROYAM-HRAATJIYSA-N 0 0 375.476 3.108 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC(C)(C)c2ccccc2Cl)n1 ZINC000179652038 1429490852 /nfs/dbraw/zinc/49/08/52/1429490852.db2.gz AMLZRRGMWZPNKH-UHFFFAOYSA-N 0 0 387.871 3.022 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000179654450 1429491491 /nfs/dbraw/zinc/49/14/91/1429491491.db2.gz PSZBQYGVFATKCM-IEBWSBKVSA-N 0 0 393.491 3.192 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)n1 ZINC000179654479 1429491630 /nfs/dbraw/zinc/49/16/30/1429491630.db2.gz PSZBQYGVFATKCM-PKOBYXMFSA-N 0 0 393.491 3.192 20 30 GGEDRN COCCOc1c(Cl)cc(NCC(=O)N[C@](C)(C#N)C(C)C)cc1Cl ZINC000179660906 1429495543 /nfs/dbraw/zinc/49/55/43/1429495543.db2.gz SDLOZXJFQIOBGH-QGZVFWFLSA-N 0 0 388.295 3.485 20 30 GGEDRN CCSc1ccc([C@H](C)NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)cc1 ZINC000179658123 1429494264 /nfs/dbraw/zinc/49/42/64/1429494264.db2.gz WVFNHWXGMZJTTQ-ZDUSSCGKSA-N 0 0 385.493 3.264 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000179662460 1429496346 /nfs/dbraw/zinc/49/63/46/1429496346.db2.gz MFOZRMGUXFVGBN-KRWDZBQOSA-N 0 0 397.454 3.245 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCC2)n1 ZINC000179662290 1429496409 /nfs/dbraw/zinc/49/64/09/1429496409.db2.gz LJHCNZGOBKWDBG-KRWDZBQOSA-N 0 0 379.464 3.106 20 30 GGEDRN C=CCN(C(=O)Nc1ccccc1C#Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000179665168 1429497046 /nfs/dbraw/zinc/49/70/46/1429497046.db2.gz PPNFOUSQEKNPMM-FQEVSTJZSA-N 0 0 394.496 3.293 20 30 GGEDRN CCCc1cc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)n(C)n1 ZINC000179665389 1429497957 /nfs/dbraw/zinc/49/79/57/1429497957.db2.gz WCGFNBWNFSTKSC-UHFFFAOYSA-N 0 0 382.468 3.151 20 30 GGEDRN C[C@H](c1ccncc1)N(C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000179666848 1429498593 /nfs/dbraw/zinc/49/85/93/1429498593.db2.gz XGZIZIKIXFOEDC-OAHLLOKOSA-N 0 0 375.394 3.261 20 30 GGEDRN C=CCN(C(=O)Nc1cccc(CCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000179674637 1429502258 /nfs/dbraw/zinc/50/22/58/1429502258.db2.gz RBBONMSFBJTNCN-HNNXBMFYSA-N 0 0 390.427 3.389 20 30 GGEDRN C=CCN(C(=O)Nc1ccccc1CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000179679212 1429504198 /nfs/dbraw/zinc/50/41/98/1429504198.db2.gz FOYDYCUQTMPCNR-AWEZNQCLSA-N 0 0 390.427 3.389 20 30 GGEDRN COCCN(C(=O)c1cccc(-c2nnc(COC)o2)c1)c1ccc(C#N)cc1 ZINC000179680096 1429504578 /nfs/dbraw/zinc/50/45/78/1429504578.db2.gz YJYMDNKMPDVPMX-UHFFFAOYSA-N 0 0 392.415 3.048 20 30 GGEDRN CCCc1cc(NC(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)n(C)n1 ZINC000179687440 1429507532 /nfs/dbraw/zinc/50/75/32/1429507532.db2.gz ZGVVOTKGXMNYRS-INIZCTEOSA-N 0 0 385.468 3.384 20 30 GGEDRN N#Cc1cc(C#N)c(S[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)nc1N ZINC000179689659 1429508397 /nfs/dbraw/zinc/50/83/97/1429508397.db2.gz INMGYBWUFJKPQT-CQSZACIVSA-N 0 0 387.827 3.097 20 30 GGEDRN C=CCNC(=O)c1ccccc1NC(=O)C[C@@](O)(c1ccc(C)o1)C(F)(F)F ZINC000179695987 1429510813 /nfs/dbraw/zinc/51/08/13/1429510813.db2.gz LAVSBISOLLJEDC-GOSISDBHSA-N 0 0 396.365 3.283 20 30 GGEDRN CCC(CC)n1nc(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1C ZINC000179709182 1429516763 /nfs/dbraw/zinc/51/67/63/1429516763.db2.gz YUCHPTVAPZOKCB-UHFFFAOYSA-N 0 0 377.452 3.316 20 30 GGEDRN CC(C)c1ccc(CCCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 ZINC000179721591 1429521847 /nfs/dbraw/zinc/52/18/47/1429521847.db2.gz LVSKYQLOVHTCQT-UHFFFAOYSA-N 0 0 395.507 3.321 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)n1 ZINC000179732466 1429527569 /nfs/dbraw/zinc/52/75/69/1429527569.db2.gz ZTWHKRASVODRKW-JTQLQIEISA-N 0 0 394.262 3.458 20 30 GGEDRN N#CCc1ccc(S(=O)(=O)NCc2cccc(COCC(F)(F)F)c2)cc1 ZINC000152306420 1422068155 /nfs/dbraw/zinc/06/81/55/1422068155.db2.gz VUEGAWIZOXKWOY-UHFFFAOYSA-N 0 0 398.406 3.310 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)Cn1nc(COc2ccccc2)n(C)c1=S ZINC000152316877 1422071211 /nfs/dbraw/zinc/07/12/11/1422071211.db2.gz YWWREZZDHXVWGG-UHFFFAOYSA-N 0 0 379.489 3.491 20 30 GGEDRN CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)C1(C(N)=O)CCCC1 ZINC000152319900 1422071669 /nfs/dbraw/zinc/07/16/69/1422071669.db2.gz DZIYBCRRTUTCPZ-UHFFFAOYSA-N 0 0 377.444 3.007 20 30 GGEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(Cl)cc2C)c1 ZINC000152333340 1422074950 /nfs/dbraw/zinc/07/49/50/1422074950.db2.gz CVJINRXNIHPROZ-UHFFFAOYSA-N 0 0 396.874 3.135 20 30 GGEDRN C=CCn1c(C)nn(CN2CCCN(C(=O)Oc3ccccc3)CC2)c1=S ZINC000152334863 1422075507 /nfs/dbraw/zinc/07/55/07/1422075507.db2.gz VAMBRAYXAGHEIF-UHFFFAOYSA-N 0 0 387.509 3.073 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2csc(-c3ccoc3)n2)c1 ZINC000152337434 1422076652 /nfs/dbraw/zinc/07/66/52/1422076652.db2.gz REWGFYGHRIOAPY-UHFFFAOYSA-N 0 0 379.441 3.024 20 30 GGEDRN C#C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C1CC1 ZINC000152346115 1422079398 /nfs/dbraw/zinc/07/93/98/1422079398.db2.gz KENKMPMHGGYGHM-MRXNPFEDSA-N 0 0 381.881 3.083 20 30 GGEDRN C=CCn1c(Sc2nc3sccn3c2[N+](=O)[O-])nnc1-c1ccccn1 ZINC000152393619 1422091667 /nfs/dbraw/zinc/09/16/67/1422091667.db2.gz LNQRXSUKMDRTTM-UHFFFAOYSA-N 0 0 385.434 3.295 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(C)cc2SC)c1 ZINC000152407590 1422095132 /nfs/dbraw/zinc/09/51/32/1422095132.db2.gz JMLAOUBNVMOOAA-UHFFFAOYSA-N 0 0 390.530 3.111 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC000152453033 1422107689 /nfs/dbraw/zinc/10/76/89/1422107689.db2.gz PFCTYDWHLTXYIH-OAQYLSRUSA-N 0 0 396.535 3.265 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000152452948 1422108036 /nfs/dbraw/zinc/10/80/36/1422108036.db2.gz PFCTYDWHLTXYIH-NRFANRHFSA-N 0 0 396.535 3.265 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)Nc3cccc(-c4ncco4)c3)CC2)nc1 ZINC000152459672 1422110045 /nfs/dbraw/zinc/11/00/45/1422110045.db2.gz ATMRGISYOCCMQX-UHFFFAOYSA-N 0 0 388.431 3.399 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000152468681 1422111645 /nfs/dbraw/zinc/11/16/45/1422111645.db2.gz MZLHAAGFONGMIX-HNNXBMFYSA-N 0 0 387.530 3.462 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000152470281 1422112126 /nfs/dbraw/zinc/11/21/26/1422112126.db2.gz SSMGOFLSPOWMNN-HNNXBMFYSA-N 0 0 387.530 3.462 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCc1ccc(Cl)nc1C ZINC000152496314 1422121810 /nfs/dbraw/zinc/12/18/10/1422121810.db2.gz KPHMHTDSTNHBTG-UHFFFAOYSA-N 0 0 383.839 3.251 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)Oc2cccc3c(C)ccnc23)c1 ZINC000152501317 1422123272 /nfs/dbraw/zinc/12/32/72/1422123272.db2.gz LNYCVIFYXXYVTH-UHFFFAOYSA-N 0 0 382.441 3.227 20 30 GGEDRN CC(C)COC[C@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1ccco1 ZINC000152522747 1422130713 /nfs/dbraw/zinc/13/07/13/1422130713.db2.gz MCTFHFRDNMFZSL-IBGZPJMESA-N 0 0 383.448 3.338 20 30 GGEDRN CCc1nn(C)cc1/C=C/C(=O)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000179742204 1429532792 /nfs/dbraw/zinc/53/27/92/1429532792.db2.gz QZTWMXUNAKBYCP-RMKNXTFCSA-N 0 0 386.395 3.215 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179744441 1429533493 /nfs/dbraw/zinc/53/34/93/1429533493.db2.gz CGZZLQWNDQHXCT-OAHLLOKOSA-N 0 0 380.452 3.364 20 30 GGEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000152551258 1422140166 /nfs/dbraw/zinc/14/01/66/1422140166.db2.gz FUQCYYLGGUBPRK-NJDAHSKKSA-N 0 0 394.496 3.080 20 30 GGEDRN COC(=O)[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)(C)C ZINC000152561142 1422144835 /nfs/dbraw/zinc/14/48/35/1422144835.db2.gz MHBVZWVIVWUPJY-MRXNPFEDSA-N 0 0 377.510 3.004 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)CCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000152569351 1422147647 /nfs/dbraw/zinc/14/76/47/1422147647.db2.gz AAAKARCIQMINIJ-UHFFFAOYSA-N 0 0 399.447 3.324 20 30 GGEDRN CC(C)(C)c1csc(CCNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)n1 ZINC000152569655 1422148081 /nfs/dbraw/zinc/14/80/81/1422148081.db2.gz YKUKGHWNEHUFMN-UHFFFAOYSA-N 0 0 384.505 3.328 20 30 GGEDRN Cc1cc(-c2noc(CCC(=O)Nc3ccc(C#N)c(C#N)c3)n2)ccc1F ZINC000152583895 1422151832 /nfs/dbraw/zinc/15/18/32/1422151832.db2.gz INOLXOLNLZLPCB-UHFFFAOYSA-N 0 0 375.363 3.499 20 30 GGEDRN Cc1ccc(-c2noc(CCC(=O)Nc3ccc(C#N)c(C#N)c3)n2)cc1F ZINC000152583778 1422151957 /nfs/dbraw/zinc/15/19/57/1422151957.db2.gz HHTIAHPOXSKEMS-UHFFFAOYSA-N 0 0 375.363 3.499 20 30 GGEDRN COCCn1c(SCc2cc(C#N)ccc2OC)nnc1-c1ccncc1 ZINC000152598241 1422157073 /nfs/dbraw/zinc/15/70/73/1422157073.db2.gz HBDZZMKYZIPDAW-UHFFFAOYSA-N 0 0 381.461 3.159 20 30 GGEDRN C#CCOCCC(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 ZINC000152598476 1422157324 /nfs/dbraw/zinc/15/73/24/1422157324.db2.gz VDGMHEMUVUPVFB-UHFFFAOYSA-N 0 0 376.254 3.230 20 30 GGEDRN 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CC[C@H](C)[C@H](C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccccc1 ZINC000155607056 1423442574 /nfs/dbraw/zinc/44/25/74/1423442574.db2.gz SLWXBPQHUGVBKL-ZWOKBUDYSA-N 0 0 377.492 3.215 20 30 GGEDRN CC(C)c1ccc(C[C@H](C)NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)cc1 ZINC000179922690 1429642301 /nfs/dbraw/zinc/64/23/01/1429642301.db2.gz FXNCHNWSWATCFR-HNNXBMFYSA-N 0 0 381.480 3.145 20 30 GGEDRN CN(C(=O)Nc1ccc(CC#N)cc1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000155615029 1423447613 /nfs/dbraw/zinc/44/76/13/1423447613.db2.gz NQUMXSOTJDYEES-INIZCTEOSA-N 0 0 389.864 3.398 20 30 GGEDRN C[C@@]1(c2cc(F)cc(F)c2)NC(=O)N(CCCOc2ccc(C#N)cc2)C1=O ZINC000155614499 1423447666 /nfs/dbraw/zinc/44/76/66/1423447666.db2.gz RJPTXFWDRBQDAA-FQEVSTJZSA-N 0 0 385.370 3.073 20 30 GGEDRN CN(CCCOc1cccc(C#N)c1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000155615971 1423448720 /nfs/dbraw/zinc/44/87/20/1423448720.db2.gz FMDMIBOSMRNQIO-GOSISDBHSA-N 0 0 390.892 3.441 20 30 GGEDRN N#Cc1ccc(C(=O)NCC(=O)NCCc2cccc(-c3ccccc3)c2)cc1 ZINC000155616217 1423448822 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GGEDRN N#Cc1ccc(C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)cc1Cl ZINC000155660138 1423473106 /nfs/dbraw/zinc/47/31/06/1423473106.db2.gz HMZWBRYYXUVTKW-UHFFFAOYSA-N 0 0 382.851 3.166 20 30 GGEDRN N#C[C@H](C(=O)Nc1ccccc1F)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000155663139 1423475062 /nfs/dbraw/zinc/47/50/62/1423475062.db2.gz XPLPPYXINQFJIQ-NSHDSACASA-N 0 0 382.420 3.248 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3F)CC2)c1 ZINC000155664616 1423475412 /nfs/dbraw/zinc/47/54/12/1423475412.db2.gz NQJRQMXCYZSBJJ-UHFFFAOYSA-N 0 0 386.398 3.316 20 30 GGEDRN N#C[C@@H](C(=O)Nc1cccc(F)c1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000155667533 1423477086 /nfs/dbraw/zinc/47/70/86/1423477086.db2.gz GWBLIQMYCPEEFF-CYBMUJFWSA-N 0 0 382.420 3.248 20 30 GGEDRN Cc1ccc(NC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000155668332 1423477369 /nfs/dbraw/zinc/47/73/69/1423477369.db2.gz YCXABKGAICNMAR-CQSZACIVSA-N 0 0 378.457 3.418 20 30 GGEDRN N#Cc1csc(CN2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1 ZINC000179932899 1429649406 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C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)Oc1ccccc1Cl ZINC000155933211 1423599704 /nfs/dbraw/zinc/59/97/04/1423599704.db2.gz LOGPXIGMGVPSFC-NSHDSACASA-N 0 0 392.242 3.387 20 30 GGEDRN CC[C@H](C(=O)N1CCC(/N=C/c2ccc(O)c(O)c2O)CC1)c1ccccc1 ZINC000155933946 1423599970 /nfs/dbraw/zinc/59/99/70/1423599970.db2.gz HCGLOPMWBJLKPI-TTXZLZEXSA-N 0 0 382.460 3.407 20 30 GGEDRN C#CCCCCNC(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1 ZINC000155938481 1423602197 /nfs/dbraw/zinc/60/21/97/1423602197.db2.gz LTEDOCLPZDPIOW-UHFFFAOYSA-N 0 0 384.501 3.435 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C)c1cccc(F)c1F ZINC000155951773 1423607448 /nfs/dbraw/zinc/60/74/48/1423607448.db2.gz ZUALWIWYDXYKRN-LBPRGKRZSA-N 0 0 383.402 3.306 20 30 GGEDRN COc1cc(/C=C/C(=O)N[C@H](C)CCc2ccc(O)cc2)ccc1OCC#N ZINC000155972136 1423615353 /nfs/dbraw/zinc/61/53/53/1423615353.db2.gz XGTRQDMMFMLVMY-OQRGYWNNSA-N 0 0 380.444 3.454 20 30 GGEDRN COc1cc(/C=C/C(=O)N[C@@H](C)CCc2ccc(O)cc2)ccc1OCC#N ZINC000155972013 1423615462 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C#Cc1cccc(NC(=O)CN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000179947836 1429657729 /nfs/dbraw/zinc/65/77/29/1429657729.db2.gz JNVHNLZGSUAFPY-UHFFFAOYSA-N 0 0 383.455 3.011 20 30 GGEDRN COC[C@@](C)(C#N)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000156012147 1423633692 /nfs/dbraw/zinc/63/36/92/1423633692.db2.gz HHVIEWQZELKYMD-JOCHJYFZSA-N 0 0 392.434 3.266 20 30 GGEDRN COC[C@@](C)(C#N)NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC000156025277 1423640098 /nfs/dbraw/zinc/64/00/98/1423640098.db2.gz DVWBKDZAWZKDLA-HXUWFJFHSA-N 0 0 385.489 3.368 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1nccc2sccc21 ZINC000156035417 1423643459 /nfs/dbraw/zinc/64/34/59/1423643459.db2.gz UTWNUPPHOWNIBK-UHFFFAOYSA-N 0 0 376.445 3.399 20 30 GGEDRN Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000156043746 1423648291 /nfs/dbraw/zinc/64/82/91/1423648291.db2.gz XKZVCGCVDZGHLO-GUYCJALGSA-N 0 0 399.470 3.374 20 30 GGEDRN Cc1cc(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)cc3C#N)ccc12 ZINC000156046176 1423648311 /nfs/dbraw/zinc/64/83/11/1423648311.db2.gz AFESXKWFHAQNER-UHFFFAOYSA-N 0 0 375.789 3.394 20 30 GGEDRN N#Cc1cccc(OCCCN2CCN(C(=O)c3c(F)cccc3F)CC2)c1 ZINC000156050584 1423651054 /nfs/dbraw/zinc/65/10/54/1423651054.db2.gz OCWRZBJZRUHEAW-UHFFFAOYSA-N 0 0 385.414 3.063 20 30 GGEDRN C=CCc1cc(OC)ccc1OC(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000156050698 1423651495 /nfs/dbraw/zinc/65/14/95/1423651495.db2.gz OJCBVSVOMBJITD-UHFFFAOYSA-N 0 0 380.375 3.328 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000156053343 1423652029 /nfs/dbraw/zinc/65/20/29/1423652029.db2.gz UORRQPMIYUKOFU-QFBILLFUSA-N 0 0 392.846 3.449 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000156053105 1423652155 /nfs/dbraw/zinc/65/21/55/1423652155.db2.gz UORRQPMIYUKOFU-LPHOPBHVSA-N 0 0 392.846 3.449 20 30 GGEDRN CCCNc1ccc(C#N)cc1NC(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000156063746 1423657414 /nfs/dbraw/zinc/65/74/14/1423657414.db2.gz HFVOUITUOIWVHR-UHFFFAOYSA-N 0 0 391.406 3.317 20 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/nfs/dbraw/zinc/67/73/83/1423677383.db2.gz JBZAAIMLNMQIIY-UHFFFAOYSA-N 0 0 375.421 3.056 20 30 GGEDRN Cc1c(NC(=O)CNc2cccc(C#N)c2)cccc1C(=O)N1CCSCC1 ZINC000156119524 1423680358 /nfs/dbraw/zinc/68/03/58/1423680358.db2.gz XZBKJTZKXBIKAD-UHFFFAOYSA-N 0 0 394.500 3.106 20 30 GGEDRN CCC(CC)C(=O)N1CCC(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000156119878 1423680550 /nfs/dbraw/zinc/68/05/50/1423680550.db2.gz POHSWFWIJUEDRI-UHFFFAOYSA-N 0 0 385.508 3.259 20 30 GGEDRN C#CCCOc1ccc(CNc2ccc(N3CCNC(=O)C3)c(Cl)c2)cc1 ZINC000156124976 1423683104 /nfs/dbraw/zinc/68/31/04/1423683104.db2.gz TZKLSEGVHCHZJS-UHFFFAOYSA-N 0 0 383.879 3.290 20 30 GGEDRN Cc1cccc(S(=O)(=O)Oc2ccc(C=O)cc2Br)c1C#N ZINC000156124902 1423683317 /nfs/dbraw/zinc/68/33/17/1423683317.db2.gz VHSXUMLTUUNJOA-UHFFFAOYSA-N 0 0 380.219 3.209 20 30 GGEDRN CCCCN(C)C(=O)C1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000156124988 1423683343 /nfs/dbraw/zinc/68/33/43/1423683343.db2.gz RMSNIEWJQPTNAN-UHFFFAOYSA-N 0 0 385.508 3.213 20 30 GGEDRN C=CC[N@H+](CCCn1c2ccccc2[nH]c1=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823903699 1423684099 /nfs/dbraw/zinc/68/40/99/1423684099.db2.gz HUYHYDWBQDDVJH-UHFFFAOYSA-N 0 0 389.463 3.000 20 30 GGEDRN C#CCSCCNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000156128723 1423685231 /nfs/dbraw/zinc/68/52/31/1423685231.db2.gz NLKFEIUWVLYVJQ-SFHVURJKSA-N 0 0 380.513 3.175 20 30 GGEDRN C=C(C)CNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 ZINC000156144462 1423693088 /nfs/dbraw/zinc/69/30/88/1423693088.db2.gz ACFHCMXGGMACIS-UHFFFAOYSA-N 0 0 394.541 3.015 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)CSc2nccc3ccccc32)c1 ZINC000156185125 1423711381 /nfs/dbraw/zinc/71/13/81/1423711381.db2.gz KEIOGMJCNSPVPC-UHFFFAOYSA-N 0 0 375.453 3.063 20 30 GGEDRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[C@H](CO)C3)sc2C1 ZINC000156197254 1423719117 /nfs/dbraw/zinc/71/91/17/1423719117.db2.gz OODKANJURFDYJA-LSDHHAIUSA-N 0 0 389.565 3.414 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccccc1OCC(F)F ZINC000156195017 1423719505 /nfs/dbraw/zinc/71/95/05/1423719505.db2.gz QAIHRXPSHJUYGY-UHFFFAOYSA-N 0 0 399.397 3.355 20 30 GGEDRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@H]1CC[C@H](C#N)C1 ZINC000179965697 1429665843 /nfs/dbraw/zinc/66/58/43/1429665843.db2.gz ULUNSODXKKKIRS-XEZPLFJOSA-N 0 0 380.897 3.427 20 30 GGEDRN Cc1sc2ncc(C(=O)Nc3cc(C#N)ccc3OC(C)C)c(=O)n2c1C ZINC000179965619 1429666032 /nfs/dbraw/zinc/66/60/32/1429666032.db2.gz VLWROIOUAPVRIM-UHFFFAOYSA-N 0 0 382.445 3.284 20 30 GGEDRN CCS(=O)(=O)c1ccc(CCC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1 ZINC000156209934 1423726204 /nfs/dbraw/zinc/72/62/04/1423726204.db2.gz KFDWZACQYMTZFT-INIZCTEOSA-N 0 0 381.457 3.166 20 30 GGEDRN N#CC1CCN(C(=O)CSc2nc3ccccc3nc2N2CCCC2)CC1 ZINC000156210622 1423727681 /nfs/dbraw/zinc/72/76/81/1423727681.db2.gz YPMMOBVABYUUDA-UHFFFAOYSA-N 0 0 381.505 3.084 20 30 GGEDRN NC(=NOCc1ncn(-c2ccccc2)n1)c1cccnc1Oc1ccccc1 ZINC000179967219 1429666726 /nfs/dbraw/zinc/66/67/26/1429666726.db2.gz XMJMERVJSFIARS-UHFFFAOYSA-N 0 0 386.415 3.292 20 30 GGEDRN C#CCCCCNC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O ZINC000156222039 1423733444 /nfs/dbraw/zinc/73/34/44/1423733444.db2.gz QMLOECXLVXXGRB-UHFFFAOYSA-N 0 0 377.366 3.093 20 30 GGEDRN CCCCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1(C)C ZINC000156226096 1423734496 /nfs/dbraw/zinc/73/44/96/1423734496.db2.gz MOHOUTHKYGOBGX-JKSUJKDBSA-N 0 0 377.872 3.250 20 30 GGEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(Cc1cccnc1)C1CC1 ZINC000156227321 1423735344 /nfs/dbraw/zinc/73/53/44/1423735344.db2.gz AKHVNKJFGPEHPO-UHFFFAOYSA-N 0 0 381.379 3.325 20 30 GGEDRN CS(=O)(=O)c1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cn1 ZINC000156227470 1423735573 /nfs/dbraw/zinc/73/55/73/1423735573.db2.gz HNCRHROIWJGGTG-UHFFFAOYSA-N 0 0 392.440 3.353 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1ccc(N2CCCC2=O)cc1 ZINC000156238052 1423738707 /nfs/dbraw/zinc/73/87/07/1423738707.db2.gz OXKBMKAUJLHLGY-UHFFFAOYSA-N 0 0 376.821 3.106 20 30 GGEDRN CCc1oc2ccccc2c1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000156242012 1423739514 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/nfs/dbraw/zinc/98/71/16/1423987116.db2.gz CQOPLNODARMSGC-UHFFFAOYSA-N 0 0 381.407 3.050 20 30 GGEDRN N#C[C@H]1CN(Cc2ccc(Oc3cnccn3)cc2)CCN1Cc1ccccc1 ZINC000157338087 1423988743 /nfs/dbraw/zinc/98/87/43/1423988743.db2.gz VKRBLKRCAYKMOO-NRFANRHFSA-N 0 0 385.471 3.479 20 30 GGEDRN COc1ccc(-c2n[nH]cc2CN2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 ZINC000157342734 1423989417 /nfs/dbraw/zinc/98/94/17/1423989417.db2.gz QNSAOUQHOVXSSJ-OAQYLSRUSA-N 0 0 387.487 3.295 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(OC)c(NC(C)=O)c1 ZINC000157344386 1423990365 /nfs/dbraw/zinc/99/03/65/1423990365.db2.gz VCHKVXXOMUDXSS-UHFFFAOYSA-N 0 0 392.459 3.423 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N2CCOC[C@H]2c2ccc(CC)o2)cc1 ZINC000157383853 1423999579 /nfs/dbraw/zinc/99/95/79/1423999579.db2.gz BOLKDQXGNRSOGF-SFHVURJKSA-N 0 0 383.448 3.363 20 30 GGEDRN C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@H]1CN(C)CCO1 ZINC000157442022 1424011800 /nfs/dbraw/zinc/01/18/00/1424011800.db2.gz OTBBFYLKPFWWAN-DNVCBOLYSA-N 0 0 381.501 3.158 20 30 GGEDRN N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(F)cc3NC3CC3)cc2)c1N ZINC000157465884 1424016803 /nfs/dbraw/zinc/01/68/03/1424016803.db2.gz IESKQONBUJNTBY-UHFFFAOYSA-N 0 0 376.395 3.292 20 30 GGEDRN CC[C@H](CC#N)NC(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC000157474864 1424018920 /nfs/dbraw/zinc/01/89/20/1424018920.db2.gz JWDWBWCYHJOJKN-OAHLLOKOSA-N 0 0 392.525 3.454 20 30 GGEDRN N#CCc1ccc(OC[C@@H](O)CN2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000157508687 1424026631 /nfs/dbraw/zinc/02/66/31/1424026631.db2.gz OHBROOROQZCSMZ-URXFXBBRSA-N 0 0 387.483 3.399 20 30 GGEDRN Cc1c(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)cnn1CCC(C)C ZINC000157510187 1424026669 /nfs/dbraw/zinc/02/66/69/1424026669.db2.gz HAVPZMARLIUJMX-GOSISDBHSA-N 0 0 381.480 3.337 20 30 GGEDRN N#CCc1ccc(OC[C@@H](O)CN2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000157508531 1424026736 /nfs/dbraw/zinc/02/67/36/1424026736.db2.gz OHBROOROQZCSMZ-XUZZJYLKSA-N 0 0 387.483 3.399 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000157516267 1424028021 /nfs/dbraw/zinc/02/80/21/1424028021.db2.gz NKGGTQGAKYMNAQ-LJQANCHMSA-N 0 0 382.508 3.272 20 30 GGEDRN Cc1c(NC(=O)c2ccc(C#N)c(Cl)c2)cccc1S(=O)(=O)NC1CC1 ZINC000157532667 1424031795 /nfs/dbraw/zinc/03/17/95/1424031795.db2.gz BNOBERIVHBFRLB-UHFFFAOYSA-N 0 0 389.864 3.213 20 30 GGEDRN COc1cccc(CNS(=O)(=O)c2ccccc2C#N)c1OC1CCCC1 ZINC000157550278 1424036149 /nfs/dbraw/zinc/03/61/49/1424036149.db2.gz BIBFYPUQIIXHJF-UHFFFAOYSA-N 0 0 386.473 3.367 20 30 GGEDRN C=CCN(C)C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 ZINC000157582158 1424042746 /nfs/dbraw/zinc/04/27/46/1424042746.db2.gz ZBQQRRDTXUNTEC-UHFFFAOYSA-N 0 0 391.537 3.385 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)CCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000157600871 1424046897 /nfs/dbraw/zinc/04/68/97/1424046897.db2.gz UPZNMDGNCWZFFE-UHFFFAOYSA-N 0 0 394.862 3.484 20 30 GGEDRN CCNC(=O)c1ccc(CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1 ZINC000157612785 1424049089 /nfs/dbraw/zinc/04/90/89/1424049089.db2.gz XBCKIMPLQDEACV-UHFFFAOYSA-N 0 0 380.448 3.417 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)NCc2ccnc(-n3cccn3)c2)cc1C#N ZINC000157616235 1424050020 /nfs/dbraw/zinc/05/00/20/1424050020.db2.gz SAEHFQANKVYLIB-UHFFFAOYSA-N 0 0 376.420 3.248 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)NCc2ccc(C(=O)N(C)C)cc2)cc1C#N ZINC000157658063 1424059514 /nfs/dbraw/zinc/05/95/14/1424059514.db2.gz CEDSJEMGVWYLJR-UHFFFAOYSA-N 0 0 380.448 3.369 20 30 GGEDRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N(CCC#N)CC(C)(C)C ZINC000157660932 1424060077 /nfs/dbraw/zinc/06/00/77/1424060077.db2.gz JAUXYILJXWOHMT-IBGZPJMESA-N 0 0 386.471 3.143 20 30 GGEDRN COc1cc(Cl)c(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1OC ZINC000157688178 1424064721 /nfs/dbraw/zinc/06/47/21/1424064721.db2.gz OXSWWZGWBACHNY-UHFFFAOYSA-N 0 0 397.822 3.121 20 30 GGEDRN Cc1ccoc1C(=O)NCCCNC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000157689834 1424065376 /nfs/dbraw/zinc/06/53/76/1424065376.db2.gz ROZJWOWYACRDJV-UHFFFAOYSA-N 0 0 384.436 3.189 20 30 GGEDRN C=C1c2ccccc2C(=O)N1CC(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 ZINC000157730581 1424076160 /nfs/dbraw/zinc/07/61/60/1424076160.db2.gz GREQGSNNADWTDZ-UHFFFAOYSA-N 0 0 397.438 3.426 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCNC(=O)OC(C)(C)C)c1C ZINC000157731832 1424076566 /nfs/dbraw/zinc/07/65/66/1424076566.db2.gz JCLIBDMBJQVNBF-UHFFFAOYSA-N 0 0 383.452 3.214 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)Cc2cn3ccsc3n2)c1C ZINC000157736589 1424077138 /nfs/dbraw/zinc/07/71/38/1424077138.db2.gz HWBGARUEAGILET-UHFFFAOYSA-N 0 0 376.445 3.251 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(N3CCCC3)nn2)c1C ZINC000157745109 1424078972 /nfs/dbraw/zinc/07/89/72/1424078972.db2.gz AVHSZVASDHFVGK-UHFFFAOYSA-N 0 0 387.447 3.003 20 30 GGEDRN N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC(Cn2ccnn2)CC1 ZINC000157747052 1424079645 /nfs/dbraw/zinc/07/96/45/1424079645.db2.gz USUDLXIVAIIYCH-UHFFFAOYSA-N 0 0 384.390 3.216 20 30 GGEDRN CCOc1cc(CCCNS(=O)(=O)c2ccc(F)cc2C#N)ccc1OC ZINC000157750377 1424080306 /nfs/dbraw/zinc/08/03/06/1424080306.db2.gz RJJBNNLTXHVGEB-UHFFFAOYSA-N 0 0 392.452 3.016 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@](C)(O)c1ccc(F)cc1F ZINC000180019005 1429696627 /nfs/dbraw/zinc/69/66/27/1429696627.db2.gz SAHQDHRVVVGPNA-CWTRNNRKSA-N 0 0 375.375 3.285 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1C#N ZINC000157760534 1424081512 /nfs/dbraw/zinc/08/15/12/1424081512.db2.gz MMLVQNLESPEPKF-KXBFYZLASA-N 0 0 397.479 3.056 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)COCCOc2ccccc2)c1C ZINC000157765831 1424083224 /nfs/dbraw/zinc/08/32/24/1424083224.db2.gz ZBNMMYMLMUNLEG-UHFFFAOYSA-N 0 0 390.443 3.395 20 30 GGEDRN CC(=O)Nc1cc(F)c(S(=O)(=O)N(CCC#N)c2ccc(C)cc2)c(F)c1 ZINC000157772251 1424084681 /nfs/dbraw/zinc/08/46/81/1424084681.db2.gz JKEISZKFLANVPL-UHFFFAOYSA-N 0 0 393.415 3.341 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)NCC[S@@](=O)Cc2ccccc2)cc1C#N ZINC000157777839 1424085646 /nfs/dbraw/zinc/08/56/46/1424085646.db2.gz HBPWWKLVGORZSI-MHZLTWQESA-N 0 0 385.489 3.416 20 30 GGEDRN CSc1nnc(CCCNC(=O)Nc2ccc(CC#N)cc2)n1CC(C)C ZINC000157790060 1424089250 /nfs/dbraw/zinc/08/92/50/1424089250.db2.gz UREPBHHLDZIIAM-UHFFFAOYSA-N 0 0 386.525 3.476 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)NCCNC(=O)c2ccccc2F)cc1C#N ZINC000157801028 1424091526 /nfs/dbraw/zinc/09/15/26/1424091526.db2.gz WIZISRHHDSUWDD-UHFFFAOYSA-N 0 0 384.411 3.036 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCc2nc(C(C)C)no2)c1C ZINC000157819072 1424095653 /nfs/dbraw/zinc/09/56/53/1424095653.db2.gz IKXYMLYKIZEZNG-UHFFFAOYSA-N 0 0 378.436 3.439 20 30 GGEDRN C=CCn1c(S[C@@H]2CCN(c3ccc(C)cc3)C2=O)nnc1-c1cnccn1 ZINC000157825758 1424096922 /nfs/dbraw/zinc/09/69/22/1424096922.db2.gz XSGJHRQUOPAKRM-QGZVFWFLSA-N 0 0 392.488 3.127 20 30 GGEDRN C=CCn1c(SCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)nnc1-c1cnccn1 ZINC000157833162 1424098357 /nfs/dbraw/zinc/09/83/57/1424098357.db2.gz YHDNVBQEJHPJOY-RDJZCZTQSA-N 0 0 398.536 3.194 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C ZINC000157844689 1424102758 /nfs/dbraw/zinc/10/27/58/1424102758.db2.gz UMYFKQODEDHVGT-UHFFFAOYSA-N 0 0 391.387 3.287 20 30 GGEDRN C[C@@](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)(C(N)=O)c1ccccc1 ZINC000157861335 1424106141 /nfs/dbraw/zinc/10/61/41/1424106141.db2.gz SDGLFPSZEUFLBB-QHCPKHFHSA-N 0 0 384.439 3.432 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)NCCCNC(=O)c2cccc(F)c2)cc1C#N ZINC000157874617 1424109719 /nfs/dbraw/zinc/10/97/19/1424109719.db2.gz ZCIMGYVBRXUCDM-UHFFFAOYSA-N 0 0 398.438 3.426 20 30 GGEDRN C=CCn1c(S[C@H](C)C(=O)N2CCCC[C@H]2CC)nnc1-c1cnccn1 ZINC000157901490 1424115910 /nfs/dbraw/zinc/11/59/10/1424115910.db2.gz RXXCZFZUUODRGB-HUUCEWRRSA-N 0 0 386.525 3.193 20 30 GGEDRN C=CCn1c(S[C@H](C)C(=O)N2CCCC[C@@H]2CC)nnc1-c1cnccn1 ZINC000157901654 1424116000 /nfs/dbraw/zinc/11/60/00/1424116000.db2.gz RXXCZFZUUODRGB-CABCVRRESA-N 0 0 386.525 3.193 20 30 GGEDRN Cc1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000157938670 1424124538 /nfs/dbraw/zinc/12/45/38/1424124538.db2.gz KASVRCGMNMJRPL-UHFFFAOYSA-N 0 0 382.363 3.473 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CCN(C(=O)CC(C)C)CC1 ZINC000157941612 1424125349 /nfs/dbraw/zinc/12/53/49/1424125349.db2.gz KFVZLEFUKWZRBU-UHFFFAOYSA-N 0 0 382.508 3.293 20 30 GGEDRN CCOCCCn1c(NC(=O)CNc2cccc(C#N)c2)nc2ccccc21 ZINC000157942958 1424125380 /nfs/dbraw/zinc/12/53/80/1424125380.db2.gz AYXPMDUWTUTDBO-UHFFFAOYSA-N 0 0 377.448 3.385 20 30 GGEDRN NC(=O)c1ccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 ZINC000157946551 1424125881 /nfs/dbraw/zinc/12/58/81/1424125881.db2.gz VZGUZPCJTKEQBU-UHFFFAOYSA-N 0 0 379.203 3.113 20 30 GGEDRN C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccc(F)c(C#N)c2)C1=O ZINC000157957813 1424129229 /nfs/dbraw/zinc/12/92/29/1424129229.db2.gz MZYYBOQOFNFHPN-IBGZPJMESA-N 0 0 389.333 3.266 20 30 GGEDRN COCCCn1cc(C(=O)c2cc(F)ccc2OCC2CCC2)cc(C#N)c1=O ZINC000157972929 1424132301 /nfs/dbraw/zinc/13/23/01/1424132301.db2.gz WMFMFRRFUCXMOQ-UHFFFAOYSA-N 0 0 398.434 3.305 20 30 GGEDRN COc1cc(C#N)ccc1CNc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000157981521 1424133946 /nfs/dbraw/zinc/13/39/46/1424133946.db2.gz PMJJEXZCJBIAIP-HZPDHXFCSA-N 0 0 379.460 3.428 20 30 GGEDRN C#Cc1cccc(NC(=O)N2CCN(c3ccc(C(=O)OC)cc3)C[C@@H]2C)c1 ZINC000157986976 1424134547 /nfs/dbraw/zinc/13/45/47/1424134547.db2.gz LZPACJLCYWZRQV-INIZCTEOSA-N 0 0 377.444 3.197 20 30 GGEDRN COc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2C=CCCC2)cc1[N+](=O)[O-] ZINC000157994655 1424136383 /nfs/dbraw/zinc/13/63/83/1424136383.db2.gz RVPAPIJYYXFSOT-HNNXBMFYSA-N 0 0 395.419 3.219 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000158001443 1424137205 /nfs/dbraw/zinc/13/72/05/1424137205.db2.gz ARTZYIKQKFTOFH-QFBILLFUSA-N 0 0 397.479 3.056 20 30 GGEDRN C=CCOc1cc(OC)ccc1C(=O)NCCNC(=O)c1ccccc1Cl ZINC000158008209 1424138672 /nfs/dbraw/zinc/13/86/72/1424138672.db2.gz QZLNYXJHTCLVKQ-UHFFFAOYSA-N 0 0 388.851 3.073 20 30 GGEDRN N#Cc1ccc(OC(=O)Cc2cc3c(cc2Br)OCCO3)c(F)c1 ZINC000158007027 1424138734 /nfs/dbraw/zinc/13/87/34/1424138734.db2.gz SIRXHCQRWBCVHO-UHFFFAOYSA-N 0 0 392.180 3.379 20 30 GGEDRN C=CCOc1cc(OC)ccc1C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000158012514 1424139581 /nfs/dbraw/zinc/13/95/81/1424139581.db2.gz VBOXNNSXJFKPDV-UHFFFAOYSA-N 0 0 391.471 3.484 20 30 GGEDRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)Oc2ccc(C#N)cc2F)CC1=O ZINC000158009720 1424139630 /nfs/dbraw/zinc/13/96/30/1424139630.db2.gz OFAPZRDBTDWVRT-LBPRGKRZSA-N 0 0 388.782 3.318 20 30 GGEDRN CC[C@@](C)(COc1ncccc1Cl)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000158016701 1424140411 /nfs/dbraw/zinc/14/04/11/1424140411.db2.gz CLNCNMBNIOOTTE-SFHVURJKSA-N 0 0 393.896 3.274 20 30 GGEDRN CC(C)(C)c1nsc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 ZINC000158027605 1424142566 /nfs/dbraw/zinc/14/25/66/1424142566.db2.gz KJEKHKHJYRLBTL-UHFFFAOYSA-N 0 0 384.465 3.282 20 30 GGEDRN CC(C)NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000158068881 1424156295 /nfs/dbraw/zinc/15/62/95/1424156295.db2.gz MFMUCXPHMVJSAE-UHFFFAOYSA-N 0 0 395.843 3.290 20 30 GGEDRN COc1cc(C#N)ccc1CNc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1 ZINC000158072500 1424157752 /nfs/dbraw/zinc/15/77/52/1424157752.db2.gz WKORUHABBGJHPB-QGZVFWFLSA-N 0 0 379.460 3.023 20 30 GGEDRN C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H]1CN(C)CCO1 ZINC000158081947 1424160157 /nfs/dbraw/zinc/16/01/57/1424160157.db2.gz JRUZAUWSCLPGHZ-MGPUTAFESA-N 0 0 380.448 3.191 20 30 GGEDRN CCCCCCCCc1nnc(NC(=O)N2CCOC[C@@H]2C[C@@H](C)O)s1 ZINC000158084278 1424160796 /nfs/dbraw/zinc/16/07/96/1424160796.db2.gz MCMAGDWDPVCNTA-CABCVRRESA-N 0 0 384.546 3.445 20 30 GGEDRN CCCCCCCCc1nnc(NC(=O)N2CCOC[C@@H]2C[C@H](C)O)s1 ZINC000158084588 1424162214 /nfs/dbraw/zinc/16/22/14/1424162214.db2.gz MCMAGDWDPVCNTA-GJZGRUSLSA-N 0 0 384.546 3.445 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000180039956 1429708258 /nfs/dbraw/zinc/70/82/58/1429708258.db2.gz PPHCNMXXXUPTBL-INIZCTEOSA-N 0 0 384.480 3.234 20 30 GGEDRN C=CCn1c(S[C@@H](C)C(=O)N2CCN(CC)CC2)nnc1-c1ccccc1C ZINC000158112030 1424170143 /nfs/dbraw/zinc/17/01/43/1424170143.db2.gz NQUPQOCYYJHEQL-KRWDZBQOSA-N 0 0 399.564 3.084 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)c1 ZINC000158121033 1424172497 /nfs/dbraw/zinc/17/24/97/1424172497.db2.gz ZPPGUHZLKBMDBZ-OXJNMPFZSA-N 0 0 382.460 3.208 20 30 GGEDRN C=CCn1c(SCC(=O)N[C@@](C)(C#N)C2CC2)nnc1-c1ccccc1C ZINC000158137307 1424176192 /nfs/dbraw/zinc/17/61/92/1424176192.db2.gz BMZSGTWFKZSPDJ-FQEVSTJZSA-N 0 0 381.505 3.340 20 30 GGEDRN COc1cc(C#N)ccc1CNc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000158138144 1424176280 /nfs/dbraw/zinc/17/62/80/1424176280.db2.gz OIOLLOZAVYIUAC-UHFFFAOYSA-N 0 0 381.501 3.297 20 30 GGEDRN C=CCn1c(SCC(=O)N[C@](C)(C#N)C2CC2)nnc1-c1ccccc1C ZINC000158137453 1424176301 /nfs/dbraw/zinc/17/63/01/1424176301.db2.gz BMZSGTWFKZSPDJ-HXUWFJFHSA-N 0 0 381.505 3.340 20 30 GGEDRN CN(C)S(=O)(=O)c1ccc2oc(SCc3ccc(F)c(C#N)c3)nc2c1 ZINC000158138437 1424177111 /nfs/dbraw/zinc/17/71/11/1424177111.db2.gz FMYOIDUCWRQBBV-UHFFFAOYSA-N 0 0 391.449 3.381 20 30 GGEDRN C=CCC[C@@H](NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)c1ccccc1 ZINC000158146278 1424178554 /nfs/dbraw/zinc/17/85/54/1424178554.db2.gz RQSUTKSDPAEHCI-QGZVFWFLSA-N 0 0 397.493 3.215 20 30 GGEDRN COc1cccc(Cc2nnc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)o2)c1 ZINC000158147928 1424179199 /nfs/dbraw/zinc/17/91/99/1424179199.db2.gz PXGTVMSTEZHCIW-DJJJIMSYSA-N 0 0 388.493 3.204 20 30 GGEDRN COc1cc(C#N)ccc1CNc1ccc(C)c(S(=O)(=O)NC2CC2)c1C ZINC000158153187 1424180937 /nfs/dbraw/zinc/18/09/37/1424180937.db2.gz CJIMHMIDEIMNHV-UHFFFAOYSA-N 0 0 385.489 3.237 20 30 GGEDRN N#CCC[C@H](NC(=O)NCc1ccccc1N1CCOCC1)c1ccccc1 ZINC000158162409 1424183747 /nfs/dbraw/zinc/18/37/47/1424183747.db2.gz UKUVFRUBKSUIHS-FQEVSTJZSA-N 0 0 378.476 3.367 20 30 GGEDRN CS(=O)(=O)c1cc(C(=O)Oc2ccc(C#N)cc2F)ccc1Br ZINC000158175518 1424186625 /nfs/dbraw/zinc/18/66/25/1424186625.db2.gz KOEJYJFRXXCZJV-UHFFFAOYSA-N 0 0 398.209 3.083 20 30 GGEDRN CCc1ccccc1NC(=O)CN1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000158182405 1424188307 /nfs/dbraw/zinc/18/83/07/1424188307.db2.gz DNBZVTHDECTNBE-UHFFFAOYSA-N 0 0 380.467 3.016 20 30 GGEDRN COc1ccc(CNc2cccnc2N2CCOCC2)cc1OCCCC#N ZINC000158187074 1424189074 /nfs/dbraw/zinc/18/90/74/1424189074.db2.gz 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GGEDRN N#Cc1ccc(N2CCN(C(=O)c3ncccc3C(F)(F)F)CC2)c(F)c1 ZINC000180056876 1429717416 /nfs/dbraw/zinc/71/74/16/1429717416.db2.gz WYPDPJXMXHOAEO-UHFFFAOYSA-N 0 0 378.329 3.074 20 30 GGEDRN C[C@H](NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C)c1ccc(C#N)cc1 ZINC000158716924 1424325857 /nfs/dbraw/zinc/32/58/57/1424325857.db2.gz CAGFXQKUVHHYFY-ZDUSSCGKSA-N 0 0 391.452 3.341 20 30 GGEDRN N#Cc1cccc(NCC(=O)NCC2(c3ccccc3Cl)CCOCC2)c1 ZINC000158737027 1424330842 /nfs/dbraw/zinc/33/08/42/1424330842.db2.gz PRLCOVYMDMGZNP-UHFFFAOYSA-N 0 0 383.879 3.488 20 30 GGEDRN Cc1ccccc1[C@@H]1C[C@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000158770495 1424338338 /nfs/dbraw/zinc/33/83/38/1424338338.db2.gz PXUIURPSLFLPKD-XUVXKRRUSA-N 0 0 389.455 3.148 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@H]2c2ccccc2C)cc1 ZINC000158774562 1424338404 /nfs/dbraw/zinc/33/84/04/1424338404.db2.gz BNIDHJGCZSFAQD-PWRODBHTSA-N 0 0 376.456 3.175 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000158770265 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GGEDRN COc1ccc(CS(=O)(=O)c2nccn2-c2cccc(Cl)c2)cc1C#N ZINC000161186077 1424665564 /nfs/dbraw/zinc/66/55/64/1424665564.db2.gz FCNSKUJHYOZOOI-UHFFFAOYSA-N 0 0 387.848 3.380 20 30 GGEDRN N#CCOc1cc(F)ccc1NC(=O)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000161201887 1424666711 /nfs/dbraw/zinc/66/67/11/1424666711.db2.gz NIKOMJAWVWIPRU-UHFFFAOYSA-N 0 0 395.434 3.295 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CCc3ccccc3C2)cc1C#N ZINC000161199374 1424666725 /nfs/dbraw/zinc/66/67/25/1424666725.db2.gz FOVCGIUVOBQKRQ-FQEVSTJZSA-N 0 0 391.471 3.300 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000161198482 1424666753 /nfs/dbraw/zinc/66/67/53/1424666753.db2.gz QCSUQKBAQZYYCJ-PXNSSMCTSA-N 0 0 388.464 3.285 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCc3ccccc3C2)cc1C#N ZINC000161199235 1424666872 /nfs/dbraw/zinc/66/68/72/1424666872.db2.gz FOVCGIUVOBQKRQ-HXUWFJFHSA-N 0 0 391.471 3.300 20 30 GGEDRN CC(C)C[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000161227110 1424667612 /nfs/dbraw/zinc/66/76/12/1424667612.db2.gz IOZWFZMUCDAVFN-NNLSSIJJSA-N 0 0 380.514 3.056 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)cc1C#N ZINC000161227504 1424667720 /nfs/dbraw/zinc/66/77/20/1424667720.db2.gz QIGGMSKLJPAFFM-PBHICJAKSA-N 0 0 399.397 3.234 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)Cc2ccc(-n3cccn3)cc2)cc1C#N ZINC000161225181 1424667742 /nfs/dbraw/zinc/66/77/42/1424667742.db2.gz VQVLARDPYKHZNA-UHFFFAOYSA-N 0 0 389.415 3.494 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)NCCc2ccncc2C)ccc1OC ZINC000161222881 1424667749 /nfs/dbraw/zinc/66/77/49/1424667749.db2.gz VHIYTQSRBZKDAW-SFHVURJKSA-N 0 0 382.464 3.122 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CCc3ccccc3C2)cc1C#N ZINC000161236221 1424668570 /nfs/dbraw/zinc/66/85/70/1424668570.db2.gz STZLFUBBHLRAJF-MRXNPFEDSA-N 0 0 391.471 3.205 20 30 GGEDRN COc1cc(C(=O)N[C@@H](C#N)c2ccccc2F)c([N+](=O)[O-])cc1OC(F)F ZINC000161281755 1424672620 /nfs/dbraw/zinc/67/26/20/1424672620.db2.gz PZUINKWGGPRARH-LBPRGKRZSA-N 0 0 395.293 3.339 20 30 GGEDRN C=C(C)COCCNC(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000161283663 1424672656 /nfs/dbraw/zinc/67/26/56/1424672656.db2.gz IPPXHAYKRHUSFE-UHFFFAOYSA-N 0 0 380.872 3.309 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1C#N ZINC000161308757 1424675307 /nfs/dbraw/zinc/67/53/07/1424675307.db2.gz JZLZQEOYKGMBGJ-FQEVSTJZSA-N 0 0 391.471 3.421 20 30 GGEDRN N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CCN(c3ccccn3)C2)c1 ZINC000161313278 1424676419 /nfs/dbraw/zinc/67/64/19/1424676419.db2.gz LXLREQJYICQPGI-GOSISDBHSA-N 0 0 388.427 3.134 20 30 GGEDRN C[C@@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1ccc(F)cc1F ZINC000161319759 1424676480 /nfs/dbraw/zinc/67/64/80/1424676480.db2.gz JHJVLVSZDIBPIZ-ZFWWWQNUSA-N 0 0 393.434 3.430 20 30 GGEDRN C=C(C)COCCNC(=O)C(=O)Nc1ccc(C)cc1OCc1ccccc1 ZINC000161313734 1424676887 /nfs/dbraw/zinc/67/68/87/1424676887.db2.gz JTRMQBKKIABGLI-UHFFFAOYSA-N 0 0 382.460 3.221 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)C(=O)NCCc2cc3ccccc3o2)cc1C#N ZINC000161336707 1424678433 /nfs/dbraw/zinc/67/84/33/1424678433.db2.gz NSHFFWBZUJOFNK-UHFFFAOYSA-N 0 0 391.427 3.389 20 30 GGEDRN C#CCNC(=O)c1ccccc1NC(=O)c1cnn2c1nccc2-c1ccccc1 ZINC000161349476 1424679451 /nfs/dbraw/zinc/67/94/51/1424679451.db2.gz MQLSJTMNJFKLIV-UHFFFAOYSA-N 0 0 395.422 3.012 20 30 GGEDRN C[C@@H]1CN(Cc2cccc(NC(=O)CNc3cccc(C#N)c3)c2)C[C@@H](C)O1 ZINC000161382032 1424684046 /nfs/dbraw/zinc/68/40/46/1424684046.db2.gz NTIWJQUOOQVIMM-IAGOWNOFSA-N 0 0 378.476 3.218 20 30 GGEDRN C[C@@H]1CN(Cc2cccc(NC(=O)CNc3cccc(C#N)c3)c2)C[C@H](C)O1 ZINC000161381757 1424684115 /nfs/dbraw/zinc/68/41/15/1424684115.db2.gz NTIWJQUOOQVIMM-CALCHBBNSA-N 0 0 378.476 3.218 20 30 GGEDRN CC(C)C[C@H](C(=O)N[C@@H](C#N)c1ccccc1F)N1C(=O)c2ccccc2C1=O ZINC000161396930 1424684727 /nfs/dbraw/zinc/68/47/27/1424684727.db2.gz WANAKXIMDQONOJ-RBUKOAKNSA-N 0 0 393.418 3.217 20 30 GGEDRN N#C[C@@H](NC(=O)[C@H]1CCCN1c1ncnc2sccc21)c1ccccc1F ZINC000161411600 1424685673 /nfs/dbraw/zinc/68/56/73/1424685673.db2.gz LIJASSNSEFSNHL-HZPDHXFCSA-N 0 0 381.436 3.180 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](O)c2cccc(OC)c2)cc1 ZINC000161428189 1424688765 /nfs/dbraw/zinc/68/87/65/1424688765.db2.gz FAACMQVMPVXKSN-FQEVSTJZSA-N 0 0 380.444 3.182 20 30 GGEDRN N#CCOc1ccc(CC(=O)NCc2ccc(COC3CCOCC3)cc2)cc1 ZINC000161474328 1424693222 /nfs/dbraw/zinc/69/32/22/1424693222.db2.gz WPZOXKOEAKFJAU-UHFFFAOYSA-N 0 0 394.471 3.143 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)CN2CCC([C@@H](O)C(F)(F)F)CC2)cc1C ZINC000161466490 1424693527 /nfs/dbraw/zinc/69/35/27/1424693527.db2.gz VMFWFDBGMGVBIH-LJQANCHMSA-N 0 0 397.441 3.185 20 30 GGEDRN COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)CCc2ccc(C#N)cc2)c1 ZINC000161498138 1424695929 /nfs/dbraw/zinc/69/59/29/1424695929.db2.gz FNVVUUZWIMJYDI-UHFFFAOYSA-N 0 0 388.427 3.410 20 30 GGEDRN CC(C)Oc1cc(CN(C2CC2)S(=O)(=O)c2ccc(F)cc2C#N)ccn1 ZINC000161527971 1424701027 /nfs/dbraw/zinc/70/10/27/1424701027.db2.gz WAKQSYYHQFGBJI-UHFFFAOYSA-N 0 0 389.452 3.233 20 30 GGEDRN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)OCC(C)(C)C#N ZINC000180112574 1429742655 /nfs/dbraw/zinc/74/26/55/1429742655.db2.gz ONZQVBTUWKCFNQ-UHFFFAOYSA-N 0 0 386.473 3.180 20 30 GGEDRN CC(=O)Nc1ccc(C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)cc1 ZINC000161539756 1424704497 /nfs/dbraw/zinc/70/44/97/1424704497.db2.gz JMBJVTWCCFKYIU-UHFFFAOYSA-N 0 0 379.803 3.368 20 30 GGEDRN C=CCn1c(-c2cccs2)nn(CN2CC[C@@H](COCCOC)C2)c1=S ZINC000161551353 1424707784 /nfs/dbraw/zinc/70/77/84/1424707784.db2.gz IXPQKCJEMBFXCT-OAHLLOKOSA-N 0 0 394.566 3.271 20 30 GGEDRN COCc1ccc([C@H]2CCCN2C(=O)CCc2c(C)nn(CCC#N)c2C)o1 ZINC000161558544 1424710399 /nfs/dbraw/zinc/71/03/99/1424710399.db2.gz AXDDVHYJAPMTFZ-LJQANCHMSA-N 0 0 384.480 3.449 20 30 GGEDRN CC[C@H](NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1c(C)noc1C ZINC000161567080 1424713512 /nfs/dbraw/zinc/71/35/12/1424713512.db2.gz VOTOHTSGACHJEO-KRWDZBQOSA-N 0 0 380.452 3.023 20 30 GGEDRN C=CCn1c(-c2cnccn2)nn(CN2CCC(C(F)(F)F)CC2)c1=S ZINC000161572942 1424715462 /nfs/dbraw/zinc/71/54/62/1424715462.db2.gz MEZMBSJABPPXJD-UHFFFAOYSA-N 0 0 384.431 3.289 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)N(CC)C[C@H]2CCCO2)nnc1-c1ccco1 ZINC000161600977 1424722407 /nfs/dbraw/zinc/72/24/07/1424722407.db2.gz VDODVZRDNSTQRU-OAHLLOKOSA-N 0 0 390.509 3.234 20 30 GGEDRN COCCOc1cc(C)ccc1CNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180125096 1429748139 /nfs/dbraw/zinc/74/81/39/1429748139.db2.gz JOPJSSQXOIAYOL-UHFFFAOYSA-N 0 0 394.880 3.024 20 30 GGEDRN Cc1c(NC(=O)N2CCN(c3ccccc3C#N)CC2)cnn1CCC(C)C ZINC000161672946 1424738159 /nfs/dbraw/zinc/73/81/59/1424738159.db2.gz FUSYECRRABCKJJ-UHFFFAOYSA-N 0 0 380.496 3.463 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)CNc2ccn(CC(F)(F)F)n2)c1C ZINC000161703902 1424744613 /nfs/dbraw/zinc/74/46/13/1424744613.db2.gz QZXNHGXTYHYZEO-UHFFFAOYSA-N 0 0 379.386 3.421 20 30 GGEDRN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)OCCCC#N ZINC000180127870 1429749888 /nfs/dbraw/zinc/74/98/88/1429749888.db2.gz OOMJWBNTLZPZEV-UHFFFAOYSA-N 0 0 376.409 3.396 20 30 GGEDRN N#CCCN(C(=O)CNc1ccn(CC(F)(F)F)n1)c1cccc(Cl)c1 ZINC000161751641 1424757567 /nfs/dbraw/zinc/75/75/67/1424757567.db2.gz OZVGMZYTSAPVDW-UHFFFAOYSA-N 0 0 385.777 3.458 20 30 GGEDRN O=C(CNc1ccn(CC(F)(F)F)n1)NCc1ccc(F)cc1C(F)(F)F ZINC000161753069 1424757633 /nfs/dbraw/zinc/75/76/33/1424757633.db2.gz QWFCRIQHAYMAAJ-UHFFFAOYSA-N 0 0 398.282 3.332 20 30 GGEDRN N#Cc1ccccc1S(=O)(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000161789483 1424765353 /nfs/dbraw/zinc/76/53/53/1424765353.db2.gz QHYXVGGTBRGZIL-IBGZPJMESA-N 0 0 390.892 3.346 20 30 GGEDRN N#Cc1cccc(S(=O)(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000161791716 1424765632 /nfs/dbraw/zinc/76/56/32/1424765632.db2.gz FAKWEWGOBZCWBV-IBGZPJMESA-N 0 0 390.892 3.346 20 30 GGEDRN C=CCN(C)C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OCC ZINC000161816903 1424771415 /nfs/dbraw/zinc/77/14/15/1424771415.db2.gz YKWSYOZXKAGQGR-UHFFFAOYSA-N 0 0 378.428 3.140 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)NCC2(c3ccc(F)cc3)CCC2)c1 ZINC000161824712 1424773282 /nfs/dbraw/zinc/77/32/82/1424773282.db2.gz COGYNETXDARDGS-UHFFFAOYSA-N 0 0 376.428 3.378 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000161924388 1424797642 /nfs/dbraw/zinc/79/76/42/1424797642.db2.gz HMKUXQUOLFSDAJ-UHFFFAOYSA-N 0 0 379.386 3.305 20 30 GGEDRN COc1ccc(CS(=O)(=O)Cc2coc(-c3cccc(F)c3)n2)cc1C#N ZINC000162006983 1424807800 /nfs/dbraw/zinc/80/78/00/1424807800.db2.gz DVUJBKQEWHDEPJ-UHFFFAOYSA-N 0 0 386.404 3.476 20 30 GGEDRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccn(CCC#N)n1)c1ccccc1 ZINC000162003075 1424807961 /nfs/dbraw/zinc/80/79/61/1424807961.db2.gz NSSINPPLNMKIQS-INIZCTEOSA-N 0 0 383.452 3.391 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)NCCCc2nc3c(s2)CCCC3)c1 ZINC000162030640 1424810479 /nfs/dbraw/zinc/81/04/79/1424810479.db2.gz GNLWUSBDPVKUGN-UHFFFAOYSA-N 0 0 393.509 3.085 20 30 GGEDRN CC[C@](C)(C#N)NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000162065000 1424813105 /nfs/dbraw/zinc/81/31/05/1424813105.db2.gz DVBWCXXFXSMHPA-GOSISDBHSA-N 0 0 381.398 3.366 20 30 GGEDRN CC1(C)CO[C@@H](c2ccccc2)CN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000162064833 1424813192 /nfs/dbraw/zinc/81/31/92/1424813192.db2.gz ODILQYDTXKLMDO-LJQANCHMSA-N 0 0 388.464 3.379 20 30 GGEDRN CC[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000162137224 1424819228 /nfs/dbraw/zinc/81/92/28/1424819228.db2.gz SKGOZJCETBELTD-SFHVURJKSA-N 0 0 375.425 3.049 20 30 GGEDRN CC[C@](C)(C#N)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000162166532 1424821891 /nfs/dbraw/zinc/82/18/91/1424821891.db2.gz QSJFVFIFOLRYII-GOSISDBHSA-N 0 0 375.425 3.049 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c1 ZINC000162181850 1424823804 /nfs/dbraw/zinc/82/38/04/1424823804.db2.gz AFJHGDWHUOBEEL-GOSISDBHSA-N 0 0 394.855 3.254 20 30 GGEDRN Cn1cc(C[NH2+]CC(=O)N2CCCc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000180141090 1429756079 /nfs/dbraw/zinc/75/60/79/1429756079.db2.gz XXAJJMNEBLLBNG-UHFFFAOYSA-N 0 0 385.471 3.028 20 30 GGEDRN Cc1nnc([C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccc(C)c2C#N)o1 ZINC000162231278 1424829331 /nfs/dbraw/zinc/82/93/31/1424829331.db2.gz XWDRDSFAKJJRRS-SFHVURJKSA-N 0 0 394.456 3.046 20 30 GGEDRN CC(C)(C)OC1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000162245165 1424830225 /nfs/dbraw/zinc/83/02/25/1424830225.db2.gz UURVAXVGJJMQDO-UHFFFAOYSA-N 0 0 396.453 3.453 20 30 GGEDRN N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000162255894 1424831703 /nfs/dbraw/zinc/83/17/03/1424831703.db2.gz XDGKSADBJLDAPY-UHFFFAOYSA-N 0 0 395.434 3.148 20 30 GGEDRN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC1(C#N)CCSCC1 ZINC000162275424 1424833392 /nfs/dbraw/zinc/83/33/92/1424833392.db2.gz UOKTWWFHMAOQDJ-UHFFFAOYSA-N 0 0 393.516 3.338 20 30 GGEDRN CC[C@@H](Cc1ccccc1)N(CC)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000162286534 1424834799 /nfs/dbraw/zinc/83/47/99/1424834799.db2.gz QDNRASLKHRRMSV-NRFANRHFSA-N 0 0 398.528 3.343 20 30 GGEDRN CS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](C#N)C2CCCCC2)c1 ZINC000162296345 1424835155 /nfs/dbraw/zinc/83/51/55/1424835155.db2.gz QRPSAVQKJSBHOI-OAHLLOKOSA-N 0 0 399.310 3.055 20 30 GGEDRN Cc1nn(-c2ccccc2)c2nc(C(=O)NC3(C#N)CCSCC3)ccc12 ZINC000162347329 1424840101 /nfs/dbraw/zinc/84/01/01/1424840101.db2.gz PVHQYXDWBJTBJK-UHFFFAOYSA-N 0 0 377.473 3.248 20 30 GGEDRN CN(C)c1nnc(-c2ccc(NC(=O)N(C)Cc3ccc(C#N)cc3)cc2)o1 ZINC000162372069 1424843243 /nfs/dbraw/zinc/84/32/43/1424843243.db2.gz GRIOERNPYOHQMY-UHFFFAOYSA-N 0 0 376.420 3.338 20 30 GGEDRN COc1ccccc1CN1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000162400835 1424846857 /nfs/dbraw/zinc/84/68/57/1424846857.db2.gz QESICMRPJDGXPI-UHFFFAOYSA-N 0 0 393.487 3.069 20 30 GGEDRN Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cnn1CC(C)C ZINC000162410826 1424847816 /nfs/dbraw/zinc/84/78/16/1424847816.db2.gz UVLGUAZAEJKAOW-QGZVFWFLSA-N 0 0 383.471 3.257 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 ZINC000162415274 1424848446 /nfs/dbraw/zinc/84/84/46/1424848446.db2.gz DWJCNGKNPSNTSZ-GFCCVEGCSA-N 0 0 394.884 3.402 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 ZINC000162415141 1424848503 /nfs/dbraw/zinc/84/85/03/1424848503.db2.gz DWJCNGKNPSNTSZ-LBPRGKRZSA-N 0 0 394.884 3.402 20 30 GGEDRN Cc1c(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)cccc1C(F)(F)F ZINC000162446249 1424853095 /nfs/dbraw/zinc/85/30/95/1424853095.db2.gz HHWAXXJSNDDZCI-UHFFFAOYSA-N 0 0 375.350 3.483 20 30 GGEDRN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(-c2nnc(C)o2)c1 ZINC000162448594 1424853576 /nfs/dbraw/zinc/85/35/76/1424853576.db2.gz NQTZJRXBSZBNGK-INIZCTEOSA-N 0 0 390.399 3.405 20 30 GGEDRN C[C@H]1C[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)C(=O)N1c1ccccc1 ZINC000162454662 1424854099 /nfs/dbraw/zinc/85/40/99/1424854099.db2.gz AUNSWPACGPSJMN-KXBFYZLASA-N 0 0 377.444 3.026 20 30 GGEDRN COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(-c2nnc(C)o2)c1 ZINC000162458202 1424854607 /nfs/dbraw/zinc/85/46/07/1424854607.db2.gz BGFFKBCVYMZEBJ-HNNXBMFYSA-N 0 0 376.372 3.015 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1 ZINC000162460460 1424855040 /nfs/dbraw/zinc/85/50/40/1424855040.db2.gz YPMZKCUXEHEBBG-LLVKDONJSA-N 0 0 396.419 3.438 20 30 GGEDRN CCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000162473482 1424856867 /nfs/dbraw/zinc/85/68/67/1424856867.db2.gz GXKSXDDYGDKLEX-UHFFFAOYSA-N 0 0 389.814 3.369 20 30 GGEDRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NC3(C#N)CCSCC3)C2)c1 ZINC000162485100 1424857843 /nfs/dbraw/zinc/85/78/43/1424857843.db2.gz ZBRQPVVPMSJPCF-QGZVFWFLSA-N 0 0 385.533 3.061 20 30 GGEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nnc(C3CCCC3)o2)cc1 ZINC000162486174 1424857917 /nfs/dbraw/zinc/85/79/17/1424857917.db2.gz OTZMWJWAYXFUBF-INIZCTEOSA-N 0 0 382.420 3.016 20 30 GGEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-c3nnc(C)o3)c2)cc1 ZINC000162485109 1424857974 /nfs/dbraw/zinc/85/79/74/1424857974.db2.gz FLQKQYPKHQCDBP-QGZVFWFLSA-N 0 0 376.372 3.015 20 30 GGEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-c3nnc(C)o3)c2)cc1 ZINC000162485250 1424858107 /nfs/dbraw/zinc/85/81/07/1424858107.db2.gz FLQKQYPKHQCDBP-KRWDZBQOSA-N 0 0 376.372 3.015 20 30 GGEDRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)NC1(C#N)CCSCC1 ZINC000162492597 1424858531 /nfs/dbraw/zinc/85/85/31/1424858531.db2.gz NPFPAWDJJGTDDX-UHFFFAOYSA-N 0 0 384.505 3.426 20 30 GGEDRN CC[C@H]1c2ccsc2CCN1C(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000162516632 1424860733 /nfs/dbraw/zinc/86/07/33/1424860733.db2.gz MJCZVLIVENUZIP-HNNXBMFYSA-N 0 0 387.436 3.264 20 30 GGEDRN CN(CCCCc1ccccc1)C(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000162520902 1424861217 /nfs/dbraw/zinc/86/12/17/1424861217.db2.gz QWVRYVHIIBBHIG-UHFFFAOYSA-N 0 0 383.423 3.148 20 30 GGEDRN C/C(=C/C(=O)N(CCC#N)CCN1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000162521226 1424861263 /nfs/dbraw/zinc/86/12/63/1424861263.db2.gz ADSDOMXLKNFJON-NXVVXOECSA-N 0 0 395.425 3.183 20 30 GGEDRN CCCCCCC[C@@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000162566977 1424866975 /nfs/dbraw/zinc/86/69/75/1424866975.db2.gz HTALRHCLJCMMJS-MRXNPFEDSA-N 0 0 387.524 3.366 20 30 GGEDRN CCCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000162583134 1424868953 /nfs/dbraw/zinc/86/89/53/1424868953.db2.gz HWXFAPAUZFAOAL-UHFFFAOYSA-N 0 0 375.444 3.485 20 30 GGEDRN CN(C(=O)c1cccc(C(=O)NC2(C#N)CCSCC2)c1)c1ccccc1 ZINC000162624636 1424873247 /nfs/dbraw/zinc/87/32/47/1424873247.db2.gz YQVXEKWQIDVEHZ-UHFFFAOYSA-N 0 0 379.485 3.482 20 30 GGEDRN N#CC1(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CCSCC1 ZINC000162634630 1424873557 /nfs/dbraw/zinc/87/35/57/1424873557.db2.gz PUQVTLARJUFGJU-UHFFFAOYSA-N 0 0 389.484 3.453 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(Cc1cccnc1)C1CC1 ZINC000162711093 1424883441 /nfs/dbraw/zinc/88/34/41/1424883441.db2.gz MLHVHTGIKXIUNV-OAHLLOKOSA-N 0 0 394.500 3.463 20 30 GGEDRN N#CC1(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)CCSCC1 ZINC000162737861 1424886714 /nfs/dbraw/zinc/88/67/14/1424886714.db2.gz CMONYOUXFTWITC-LJQANCHMSA-N 0 0 393.512 3.453 20 30 GGEDRN N#Cc1ccc(OCc2cccc(C(=O)N3CCS[C@@H]4COCC[C@@H]43)c2)cc1 ZINC000162783690 1424890098 /nfs/dbraw/zinc/89/00/98/1424890098.db2.gz RRLJZJOGHNDLFB-LEWJYISDSA-N 0 0 394.496 3.484 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2cnn(CC(C)C)c2C)ccc1OC ZINC000162800930 1424891438 /nfs/dbraw/zinc/89/14/38/1424891438.db2.gz ACMBZVLHXORUJI-KRWDZBQOSA-N 0 0 384.480 3.467 20 30 GGEDRN C[C@H](OC(=O)c1cc(I)cc([N+](=O)[O-])c1)C(C)(C)C#N ZINC000162800498 1424891471 /nfs/dbraw/zinc/89/14/71/1424891471.db2.gz PZJKPSLEQUOOCI-QMMMGPOBSA-N 0 0 388.161 3.294 20 30 GGEDRN C=CCN1C(=S)N=NC1Cc1csc(NC(=O)c2cccc(C)c2F)n1 ZINC000162801828 1424891629 /nfs/dbraw/zinc/89/16/29/1424891629.db2.gz ISGBXSMXDBHFPF-UHFFFAOYSA-N 0 0 389.481 3.500 20 30 GGEDRN C=CCn1c(-c2cccnc2)nn(CN(C)CCCn2ccnc2C)c1=S ZINC000162838450 1424895276 /nfs/dbraw/zinc/89/52/76/1424895276.db2.gz WOVAGFRCZJCMOQ-UHFFFAOYSA-N 0 0 383.525 3.147 20 30 GGEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCC2(C3CC3)CCC2)CC1 ZINC000162839422 1424895893 /nfs/dbraw/zinc/89/58/93/1424895893.db2.gz WEPRULKTOIDAAI-UHFFFAOYSA-N 0 0 395.463 3.218 20 30 GGEDRN C=CCn1c(=S)n(CN2CCS[C@H]3CCCC[C@@H]32)nc1-c1cnccn1 ZINC000162855778 1424897026 /nfs/dbraw/zinc/89/70/26/1424897026.db2.gz WYLUWMGAFHKRBD-HOTGVXAUSA-N 0 0 388.566 3.375 20 30 GGEDRN CN(C(=O)CSc1nc2ccccc2nc1N1CCCC1)C1(C#N)CCC1 ZINC000162906819 1424903641 /nfs/dbraw/zinc/90/36/41/1424903641.db2.gz PPKKWSIYJAHPSK-UHFFFAOYSA-N 0 0 381.505 3.227 20 30 GGEDRN COC(=O)c1cccn2cc(Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)nc12 ZINC000163002799 1424921094 /nfs/dbraw/zinc/92/10/94/1424921094.db2.gz LNVVDDYOMJZBCA-UHFFFAOYSA-N 0 0 392.802 3.009 20 30 GGEDRN COc1ccc(CNc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1C#N ZINC000163010431 1424922779 /nfs/dbraw/zinc/92/27/79/1424922779.db2.gz AXPYUOUTQHNUKI-UHFFFAOYSA-N 0 0 385.489 3.354 20 30 GGEDRN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000163078760 1424936109 /nfs/dbraw/zinc/93/61/09/1424936109.db2.gz BHJCDDSUJWLLKK-HOCLYGCPSA-N 0 0 375.444 3.388 20 30 GGEDRN CC(C)CC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000163079019 1424936207 /nfs/dbraw/zinc/93/62/07/1424936207.db2.gz BHJCDDSUJWLLKK-GDBMZVCRSA-N 0 0 375.444 3.388 20 30 GGEDRN COc1ccc(CNc2ccc(C(=O)N3CCOCC3)c(Cl)c2)cc1C#N ZINC000163086966 1424937218 /nfs/dbraw/zinc/93/72/18/1424937218.db2.gz UOPGMQFLJDKNBC-UHFFFAOYSA-N 0 0 385.851 3.305 20 30 GGEDRN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000163091853 1424938116 /nfs/dbraw/zinc/93/81/16/1424938116.db2.gz SBMFGAGMDRXGAA-UHFFFAOYSA-N 0 0 391.387 3.226 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCSC[C@H]2c2ccccc2)c1 ZINC000163105773 1424941506 /nfs/dbraw/zinc/94/15/06/1424941506.db2.gz UGNKYTBBYMZGAZ-KRWDZBQOSA-N 0 0 385.876 3.467 20 30 GGEDRN C=CCN(C)C(=O)NCCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000163110239 1424942820 /nfs/dbraw/zinc/94/28/20/1424942820.db2.gz UVPWNBRKZHBBDY-UHFFFAOYSA-N 0 0 381.476 3.382 20 30 GGEDRN Cc1ccc(C(C)(C)CNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)cc1 ZINC000163125156 1424946957 /nfs/dbraw/zinc/94/69/57/1424946957.db2.gz DQRCWBIKFMOHAG-UHFFFAOYSA-N 0 0 383.423 3.069 20 30 GGEDRN C[C@H](CC#N)N(C)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC000163138727 1424948953 /nfs/dbraw/zinc/94/89/53/1424948953.db2.gz YJVDBFUAFZLCOB-CYBMUJFWSA-N 0 0 385.449 3.032 20 30 GGEDRN C#CCCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000163146984 1424949980 /nfs/dbraw/zinc/94/99/80/1424949980.db2.gz XNPYSUQLEVOCAS-UHFFFAOYSA-N 0 0 388.464 3.468 20 30 GGEDRN N#Cc1ccc(Oc2ccc(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)cc2)cc1 ZINC000163167033 1424952349 /nfs/dbraw/zinc/95/23/49/1424952349.db2.gz XOKWYWNYQBFHOU-UHFFFAOYSA-N 0 0 390.355 3.059 20 30 GGEDRN COC(=O)C1(NCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CCCCC1 ZINC000163173094 1424953289 /nfs/dbraw/zinc/95/32/89/1424953289.db2.gz YKBQAKUGSKOVIB-UHFFFAOYSA-N 0 0 391.899 3.361 20 30 GGEDRN N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000163179132 1424954161 /nfs/dbraw/zinc/95/41/61/1424954161.db2.gz YATOPILIGCFORI-IBGZPJMESA-N 0 0 399.397 3.463 20 30 GGEDRN N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000163178190 1424954280 /nfs/dbraw/zinc/95/42/80/1424954280.db2.gz YHWZEHUGAFVDMV-LJQANCHMSA-N 0 0 381.407 3.324 20 30 GGEDRN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000163229322 1424963173 /nfs/dbraw/zinc/96/31/73/1424963173.db2.gz BDKYJRDVPCVFIT-MRXNPFEDSA-N 0 0 397.548 3.149 20 30 GGEDRN C[C@@H](c1cccnc1)N1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180156010 1429767977 /nfs/dbraw/zinc/76/79/77/1429767977.db2.gz SWXBPQIDULSXKD-SFHVURJKSA-N 0 0 386.503 3.233 20 30 GGEDRN C#Cc1cccc(N(CC)C(=O)c2cncc(I)c2)c1 ZINC000163249132 1424966655 /nfs/dbraw/zinc/96/66/55/1424966655.db2.gz XFGJCOMRFHMLFY-UHFFFAOYSA-N 0 0 376.197 3.334 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000163282666 1424973130 /nfs/dbraw/zinc/97/31/30/1424973130.db2.gz FNCZKGMUCFDRLZ-FXAWDEMLSA-N 0 0 376.522 3.448 20 30 GGEDRN C=CCn1c(=O)[nH]nc1SCc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000163361461 1424984873 /nfs/dbraw/zinc/98/48/73/1424984873.db2.gz ZZTNOKZVQFTUTM-UHFFFAOYSA-N 0 0 390.490 3.190 20 30 GGEDRN C=CCn1c(=O)[nH]nc1SCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000163409792 1424993048 /nfs/dbraw/zinc/99/30/48/1424993048.db2.gz LIRJVYTWQLJWFL-UHFFFAOYSA-N 0 0 380.473 3.079 20 30 GGEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCc1nccn1Cc1ccccc1 ZINC000163411388 1424994222 /nfs/dbraw/zinc/99/42/22/1424994222.db2.gz RVDHUPCEDFMDJA-UHFFFAOYSA-N 0 0 388.471 3.319 20 30 GGEDRN C=CCn1c(=O)[nH]nc1SCC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000163456221 1425002559 /nfs/dbraw/zinc/00/25/59/1425002559.db2.gz LGBGGJAENAFZDF-SFHVURJKSA-N 0 0 386.521 3.287 20 30 GGEDRN C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccccc3)c2C)n[nH]c1=O ZINC000163465559 1425004062 /nfs/dbraw/zinc/00/40/62/1425004062.db2.gz JJEJXOCDLSEDNA-UHFFFAOYSA-N 0 0 382.489 3.199 20 30 GGEDRN C=CCn1c(=O)c2c3c(sc2nc1SCCC1OCCO1)CCCC3 ZINC000163516650 1425010694 /nfs/dbraw/zinc/01/06/94/1425010694.db2.gz GJFBQBIDUIJFKA-UHFFFAOYSA-N 0 0 378.519 3.378 20 30 GGEDRN CC(=O)N[C@@H](CC(=O)N[C@H](C#N)c1ccccc1F)c1ccc(F)cc1F ZINC000163516229 1425010999 /nfs/dbraw/zinc/01/09/99/1425010999.db2.gz YSGUNOYAOAACGY-ZWKOTPCHSA-N 0 0 375.350 3.052 20 30 GGEDRN CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000163518285 1425012070 /nfs/dbraw/zinc/01/20/70/1425012070.db2.gz NYGOACUBWULUAO-IAGOWNOFSA-N 0 0 399.516 3.052 20 30 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CC[C@H](C)CN(C)C(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C ZINC000171785708 1425819930 /nfs/dbraw/zinc/81/99/30/1425819930.db2.gz FILHDRYBOJJUFK-AWEZNQCLSA-N 0 0 380.448 3.497 20 30 GGEDRN C=CCOc1ccccc1CNC(=O)C(=O)Nc1cccc(Cl)c1N(C)C ZINC000171790678 1425821390 /nfs/dbraw/zinc/82/13/90/1425821390.db2.gz HFGRPLCIYKCAGH-UHFFFAOYSA-N 0 0 387.867 3.226 20 30 GGEDRN CN(CC1CCC1)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000171794006 1425821794 /nfs/dbraw/zinc/82/17/94/1425821794.db2.gz IELZSXUMNLUVCG-UHFFFAOYSA-N 0 0 377.444 3.334 20 30 GGEDRN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000171811846 1425826603 /nfs/dbraw/zinc/82/66/03/1425826603.db2.gz PILHUORYRJOACI-ZDUSSCGKSA-N 0 0 377.489 3.492 20 30 GGEDRN CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)CSc1ccc(C#N)cc1 ZINC000171814968 1425827644 /nfs/dbraw/zinc/82/76/44/1425827644.db2.gz BPGGYIQAWRLCRR-LJQANCHMSA-N 0 0 382.485 3.283 20 30 GGEDRN C[C@@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)c1ccccc1F ZINC000171822476 1425829335 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GGEDRN CCOc1ccc2c(c1)CN(S(=O)(=O)c1ccc(Cl)cc1C#N)CC2 ZINC000173077551 1426333133 /nfs/dbraw/zinc/33/31/33/1426333133.db2.gz IFGKKMQCAJQLEQ-UHFFFAOYSA-N 0 0 376.865 3.357 20 30 GGEDRN N#Cc1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1C#N ZINC000173098129 1426340762 /nfs/dbraw/zinc/34/07/62/1426340762.db2.gz UWLKAQJPUULAMY-UHFFFAOYSA-N 0 0 392.374 3.483 20 30 GGEDRN CCc1c(C(=O)Nc2ccc(C#N)c(C#N)c2)nnn1-c1cccc(Cl)c1 ZINC000173099964 1426341306 /nfs/dbraw/zinc/34/13/06/1426341306.db2.gz RUWFALSDXPFQGB-UHFFFAOYSA-N 0 0 376.807 3.479 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000173109487 1426347022 /nfs/dbraw/zinc/34/70/22/1426347022.db2.gz HQNZRCHHUANKAF-UHFFFAOYSA-N 0 0 393.512 3.499 20 30 GGEDRN C#Cc1cccc(N(CC)S(=O)(=O)c2cnn(-c3ccccc3OC)c2)c1 ZINC000173113899 1426349110 /nfs/dbraw/zinc/34/91/10/1426349110.db2.gz LVBDBLRAUSDDSG-UHFFFAOYSA-N 0 0 381.457 3.077 20 30 GGEDRN C=CCOCCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C ZINC000173116680 1426350791 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C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173799595 1426854252 /nfs/dbraw/zinc/85/42/52/1426854252.db2.gz WNJYDQLBEFQNGE-HNNXBMFYSA-N 0 0 394.431 3.337 20 30 GGEDRN N#Cc1ccsc1NC(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173798906 1426854380 /nfs/dbraw/zinc/85/43/80/1426854380.db2.gz XIZPSPRTPXQEJM-UHFFFAOYSA-N 0 0 386.433 3.010 20 30 GGEDRN Cc1oc(NC(=O)CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C#N)c1C ZINC000173799707 1426854430 /nfs/dbraw/zinc/85/44/30/1426854430.db2.gz IRVFPWCUAZYVIG-UHFFFAOYSA-N 0 0 398.419 3.158 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000173801484 1426855158 /nfs/dbraw/zinc/85/51/58/1426855158.db2.gz FULIBPZVGJBGOI-UHFFFAOYSA-N 0 0 384.823 3.392 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)NCc1cccc(C(=O)NCCC)c1 ZINC000173801182 1426855227 /nfs/dbraw/zinc/85/52/27/1426855227.db2.gz YYBZVVSWBXXGFH-UHFFFAOYSA-N 0 0 383.423 3.299 20 30 GGEDRN C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)c1 ZINC000173807150 1426856534 /nfs/dbraw/zinc/85/65/34/1426856534.db2.gz CYTXDUNJLNYJMH-PZJWPPBQSA-N 0 0 376.456 3.199 20 30 GGEDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C(=O)Nc2cccc(C)c2C#N)cc1 ZINC000173809772 1426857185 /nfs/dbraw/zinc/85/71/85/1426857185.db2.gz DOYOCSBQTUOOFZ-RXVVDRJESA-N 0 0 391.471 3.398 20 30 GGEDRN N#CCCn1ccc(NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)n1 ZINC000173817186 1426859151 /nfs/dbraw/zinc/85/91/51/1426859151.db2.gz HYPBNKRHDMMVOT-UHFFFAOYSA-N 0 0 386.765 3.305 20 30 GGEDRN CC1(C)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000173816646 1426859227 /nfs/dbraw/zinc/85/92/27/1426859227.db2.gz KIBLYVMHEBYQIX-INIZCTEOSA-N 0 0 384.524 3.088 20 30 GGEDRN CC(=O)N1CCc2cc(N[C@@H](C)C(=O)N(CCC#N)c3ccccc3)ccc21 ZINC000173820106 1426859839 /nfs/dbraw/zinc/85/98/39/1426859839.db2.gz WTPLRTAIUNKUTI-INIZCTEOSA-N 0 0 376.460 3.343 20 30 GGEDRN CC(=O)N1CCc2cc(N[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)ccc21 ZINC000173819704 1426859937 /nfs/dbraw/zinc/85/99/37/1426859937.db2.gz YNUQTZAKZMBDCL-HNNXBMFYSA-N 0 0 394.450 3.482 20 30 GGEDRN CNC(=O)CC1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000173821459 1426860500 /nfs/dbraw/zinc/86/05/00/1426860500.db2.gz OCVUWSAAZBOERY-UHFFFAOYSA-N 0 0 391.471 3.126 20 30 GGEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cccc(-n2cccn2)c1 ZINC000173828642 1426862796 /nfs/dbraw/zinc/86/27/96/1426862796.db2.gz ZWTWVDRFLKTGDM-ZDUSSCGKSA-N 0 0 386.864 3.437 20 30 GGEDRN CNC(=O)CC1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000173829081 1426862818 /nfs/dbraw/zinc/86/28/18/1426862818.db2.gz XAIFRBIFMKHWEG-UHFFFAOYSA-N 0 0 377.444 3.339 20 30 GGEDRN C=CCOc1cccc(C[N@@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000823932083 1426864189 /nfs/dbraw/zinc/86/41/89/1426864189.db2.gz NLDWEQUYJXARHM-UHFFFAOYSA-N 0 0 390.491 3.144 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2C)cc1 ZINC000173838426 1426865759 /nfs/dbraw/zinc/86/57/59/1426865759.db2.gz BRLQHNRWZZMCKX-IRXDYDNUSA-N 0 0 383.492 3.086 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2C)cc1 ZINC000173838409 1426865870 /nfs/dbraw/zinc/86/58/70/1426865870.db2.gz BRLQHNRWZZMCKX-SJORKVTESA-N 0 0 383.492 3.086 20 30 GGEDRN Cc1nc(CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)sc1C ZINC000173846307 1426869111 /nfs/dbraw/zinc/86/91/11/1426869111.db2.gz KSNQWIJTBMRHBS-LLVKDONJSA-N 0 0 388.518 3.409 20 30 GGEDRN CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000173848238 1426869684 /nfs/dbraw/zinc/86/96/84/1426869684.db2.gz WDERXSJJPCTVSY-UHFFFAOYSA-N 0 0 396.512 3.087 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](n2cccn2)Cc2ccccc21 ZINC000173848878 1426869881 /nfs/dbraw/zinc/86/98/81/1426869881.db2.gz FJHQWJTVHYTHCZ-GOSISDBHSA-N 0 0 378.457 3.056 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2C[C@H](n3cccn3)Cc3ccccc32)cc1Cl ZINC000173851230 1426870962 /nfs/dbraw/zinc/87/09/62/1426870962.db2.gz OFSFGCQOAXOCLB-MRXNPFEDSA-N 0 0 398.875 3.401 20 30 GGEDRN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(CCCSCC#N)CC2)cc1 ZINC000173858744 1426873234 /nfs/dbraw/zinc/87/32/34/1426873234.db2.gz QDMDGXUYMFFAJF-KRWDZBQOSA-N 0 0 395.594 3.153 20 30 GGEDRN N#CCSCCCN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000173859769 1426873370 /nfs/dbraw/zinc/87/33/70/1426873370.db2.gz JJSOWUKMVVOHCR-UHFFFAOYSA-N 0 0 391.928 3.154 20 30 GGEDRN C#CCN(Cc1ccc(F)cc1)C(=O)Cc1csc(NC(=O)C(C)(C)C)n1 ZINC000173891015 1426882832 /nfs/dbraw/zinc/88/28/32/1426882832.db2.gz ITIGZEYXYPUBFT-UHFFFAOYSA-N 0 0 387.480 3.471 20 30 GGEDRN C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(NC(C)=O)c(OC)c(OC)c1 ZINC000173890811 1426882833 /nfs/dbraw/zinc/88/28/33/1426882833.db2.gz WZAGDTOZRJEFEM-UHFFFAOYSA-N 0 0 384.407 3.077 20 30 GGEDRN CCOC(=O)[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@H](C)CC ZINC000173897937 1426884009 /nfs/dbraw/zinc/88/40/09/1426884009.db2.gz VQJPOUBAMOWLEK-KUHUBIRLSA-N 0 0 384.432 3.438 20 30 GGEDRN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCOc1ccc(C#N)cc1 ZINC000173898320 1426884673 /nfs/dbraw/zinc/88/46/73/1426884673.db2.gz WCDDQQKZQDJTEP-LJQANCHMSA-N 0 0 399.878 3.161 20 30 GGEDRN CC(C)(C)C(=O)Nc1nc(CC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cs1 ZINC000173905268 1426886639 /nfs/dbraw/zinc/88/66/39/1426886639.db2.gz MQNRGEAVDKYUDB-GFCCVEGCSA-N 0 0 381.461 3.423 20 30 GGEDRN CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)c1ccc(F)cc1F ZINC000173904937 1426886693 /nfs/dbraw/zinc/88/66/93/1426886693.db2.gz ZDUDYUNBZDIOCT-KDOFPFPSSA-N 0 0 382.370 3.285 20 30 GGEDRN CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1)c1ccc(F)cc1F ZINC000173905009 1426886771 /nfs/dbraw/zinc/88/67/71/1426886771.db2.gz ZDUDYUNBZDIOCT-KSSFIOAISA-N 0 0 382.370 3.285 20 30 GGEDRN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000173915785 1426890996 /nfs/dbraw/zinc/89/09/96/1426890996.db2.gz XRGQDBIGPQIYOD-MRXNPFEDSA-N 0 0 383.452 3.049 20 30 GGEDRN C[C@@H]1CC[C@H](CCC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)O1 ZINC000173916427 1426891058 /nfs/dbraw/zinc/89/10/58/1426891058.db2.gz FPGKWOMOEDARSB-YRGRVCCFSA-N 0 0 385.489 3.387 20 30 GGEDRN CC(C)OCCN1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000173919941 1426891952 /nfs/dbraw/zinc/89/19/52/1426891952.db2.gz IAZIYAOXCBHPQA-UHFFFAOYSA-N 0 0 376.863 3.446 20 30 GGEDRN C[C@@H](CC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C(=O)c1cccc(F)c1 ZINC000173922629 1426893070 /nfs/dbraw/zinc/89/30/70/1426893070.db2.gz YEZBGOVUHSJQQD-HNNXBMFYSA-N 0 0 397.425 3.394 20 30 GGEDRN C=CCn1c(SCCn2cc([N+](=O)[O-])cn2)nnc1-c1ccc(OC)cc1 ZINC000173923322 1426893702 /nfs/dbraw/zinc/89/37/02/1426893702.db2.gz ZYVHJIFXBODEHT-UHFFFAOYSA-N 0 0 386.437 3.037 20 30 GGEDRN C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c2cc(Cl)ccc2O1 ZINC000173928171 1426896005 /nfs/dbraw/zinc/89/60/05/1426896005.db2.gz KJKFYKQJILNWJX-SNVBAGLBSA-N 0 0 393.808 3.096 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)Oc1ccccc1C ZINC000173929795 1426896573 /nfs/dbraw/zinc/89/65/73/1426896573.db2.gz ISFQPZZCUNUCAZ-SFHVURJKSA-N 0 0 381.476 3.492 20 30 GGEDRN CC[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCS1 ZINC000173932267 1426897901 /nfs/dbraw/zinc/89/79/01/1426897901.db2.gz IDYVXVLHJZXGPB-QGZVFWFLSA-N 0 0 386.521 3.384 20 30 GGEDRN CCOCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000173934597 1426898339 /nfs/dbraw/zinc/89/83/39/1426898339.db2.gz DABJAGPEIYOPMN-BZUAXINKSA-N 0 0 383.275 3.349 20 30 GGEDRN C[C@H](C(=O)[C@@H](C#N)c1nc(N)nc(Nc2ccccc2)n1)c1cccc(F)c1 ZINC000173946435 1426904165 /nfs/dbraw/zinc/90/41/65/1426904165.db2.gz JVSALMZCLGXKLB-BLLLJJGKSA-N 0 0 376.395 3.316 20 30 GGEDRN C[C@H](C(=O)[C@H](C#N)c1nc(N)nc(Nc2ccccc2)n1)c1cccc(F)c1 ZINC000173946456 1426904273 /nfs/dbraw/zinc/90/42/73/1426904273.db2.gz JVSALMZCLGXKLB-LRDDRELGSA-N 0 0 376.395 3.316 20 30 GGEDRN CC(C)C(=O)N(C)Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)cc1 ZINC000173965978 1426913822 /nfs/dbraw/zinc/91/38/22/1426913822.db2.gz HOXJBTHSKUDGDF-LJQANCHMSA-N 0 0 377.444 3.262 20 30 GGEDRN Cc1cccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c1 ZINC000173965027 1426913832 /nfs/dbraw/zinc/91/38/32/1426913832.db2.gz PMFDRHHTEMRSLL-OAHLLOKOSA-N 0 0 398.488 3.326 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@@H](C)c2cccc(F)c2)cc1OC ZINC000173971436 1426916876 /nfs/dbraw/zinc/91/68/76/1426916876.db2.gz IZVTZJZPWWKAJJ-KBXCAEBGSA-N 0 0 398.434 3.014 20 30 GGEDRN C[C@@H](Nc1ccc(CN2CCOC2=O)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000173975468 1426919747 /nfs/dbraw/zinc/91/97/47/1426919747.db2.gz OFFXGLNPLVIOMH-QGZVFWFLSA-N 0 0 392.459 3.386 20 30 GGEDRN C[C@H](Nc1ccc(CN2CCOC2=O)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000173975457 1426919825 /nfs/dbraw/zinc/91/98/25/1426919825.db2.gz OFFXGLNPLVIOMH-KRWDZBQOSA-N 0 0 392.459 3.386 20 30 GGEDRN Cc1nn(C)c(C)c1C[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000173978916 1426922694 /nfs/dbraw/zinc/92/26/94/1426922694.db2.gz KXVHSMVTVBJXCV-ZUZCIYMTSA-N 0 0 390.846 3.356 20 30 GGEDRN CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c2cccc(F)c2)cc1 ZINC000173980727 1426924429 /nfs/dbraw/zinc/92/44/29/1426924429.db2.gz BKMGLEUIOJLDJN-UGSOOPFHSA-N 0 0 382.391 3.453 20 30 GGEDRN CC(C)NC(=O)CCCC(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000173981265 1426924785 /nfs/dbraw/zinc/92/47/85/1426924785.db2.gz 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ZINC000174256213 1427072294 /nfs/dbraw/zinc/07/22/94/1427072294.db2.gz CUBFPJUVLSIWNF-UHFFFAOYSA-N 0 0 398.488 3.308 20 30 GGEDRN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000174256551 1427072623 /nfs/dbraw/zinc/07/26/23/1427072623.db2.gz RRYQQSDDBUSCPK-UHFFFAOYSA-N 0 0 390.440 3.278 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000174259055 1427073403 /nfs/dbraw/zinc/07/34/03/1427073403.db2.gz LALDDQQDKRURHP-INIZCTEOSA-N 0 0 384.480 3.260 20 30 GGEDRN N#Cc1ccc(NC(=O)CNc2ccc(Cl)c(-n3nnnc3C3CC3)c2)cc1 ZINC000174319990 1427099870 /nfs/dbraw/zinc/09/98/70/1427099870.db2.gz YVPRUKWOQNVYEZ-UHFFFAOYSA-N 0 0 393.838 3.115 20 30 GGEDRN COc1cccc(-c2noc([C@H](C)N[C@H](C)C(=O)NC3(C#N)CCCCC3)n2)c1 ZINC000174328011 1427104371 /nfs/dbraw/zinc/10/43/71/1427104371.db2.gz AZGLIAVSBLJUTM-CABCVRRESA-N 0 0 397.479 3.127 20 30 GGEDRN COc1cccc(-c2noc([C@@H](C)N[C@@H](C)C(=O)Nc3cccc(C#N)c3)n2)c1 ZINC000174329419 1427104877 /nfs/dbraw/zinc/10/48/77/1427104877.db2.gz HARHGYFSCHIHBU-UONOGXRCSA-N 0 0 391.431 3.295 20 30 GGEDRN COc1cccc(-c2noc([C@H](C)N[C@@H](C)C(=O)Nc3cccc(C#N)c3)n2)c1 ZINC000174329406 1427105006 /nfs/dbraw/zinc/10/50/06/1427105006.db2.gz HARHGYFSCHIHBU-KBPBESRZSA-N 0 0 391.431 3.295 20 30 GGEDRN N#Cc1ccc(CSCC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000174340403 1427110308 /nfs/dbraw/zinc/11/03/08/1427110308.db2.gz HIFZZOZLAFHQEN-UHFFFAOYSA-N 0 0 394.475 3.475 20 30 GGEDRN N#CCN1CCN(C(=O)CCN2c3ccccc3Sc3ccccc32)CC1 ZINC000174343787 1427111638 /nfs/dbraw/zinc/11/16/38/1427111638.db2.gz XYJNEIADLAUTMB-UHFFFAOYSA-N 0 0 378.501 3.347 20 30 GGEDRN N#CCN1CCN(C(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)CC1 ZINC000174343092 1427111698 /nfs/dbraw/zinc/11/16/98/1427111698.db2.gz UZSDHHZHCSRPHQ-IBGZPJMESA-N 0 0 387.842 3.267 20 30 GGEDRN N#CCN1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1 ZINC000174347121 1427113343 /nfs/dbraw/zinc/11/33/43/1427113343.db2.gz URRCKVNUJNYUCK-YADHBBJMSA-N 0 0 375.472 3.037 20 30 GGEDRN N#CCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1 ZINC000174347138 1427113359 /nfs/dbraw/zinc/11/33/59/1427113359.db2.gz URRCKVNUJNYUCK-FCHUYYIVSA-N 0 0 375.472 3.037 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000174355679 1427117368 /nfs/dbraw/zinc/11/73/68/1427117368.db2.gz WYYYNJKFFZIUEG-FQEVSTJZSA-N 0 0 394.519 3.437 20 30 GGEDRN C=C(Br)CNC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000174376696 1427127760 /nfs/dbraw/zinc/12/77/60/1427127760.db2.gz HJSFIMODJZAZGB-UHFFFAOYSA-N 0 0 393.184 3.067 20 30 GGEDRN C[C@@H]1C[C@H]1[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000174378370 1427128236 /nfs/dbraw/zinc/12/82/36/1427128236.db2.gz NCHGKSLALZHOSB-CFSSXQINSA-N 0 0 381.863 3.455 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000174388387 1427133086 /nfs/dbraw/zinc/13/30/86/1427133086.db2.gz XKFJWKXMBXALQI-WOJBJXKFSA-N 0 0 381.480 3.097 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)Cn2c3ccccc3nc2-c2cscn2)c1 ZINC000174394856 1427137064 /nfs/dbraw/zinc/13/70/64/1427137064.db2.gz XAXXUWWZISFXJI-UHFFFAOYSA-N 0 0 391.431 3.487 20 30 GGEDRN Cc1c(C(=O)NCc2cc(C#N)ccc2F)nnn1-c1ccc(F)c(Cl)c1 ZINC000174397608 1427137354 /nfs/dbraw/zinc/13/73/54/1427137354.db2.gz BPFXSEOBJHUKFJ-UHFFFAOYSA-N 0 0 387.777 3.309 20 30 GGEDRN Cc1c(C(=O)NCc2cc(C#N)ccc2F)nnn1-c1ccc2ncccc2c1 ZINC000174402501 1427141320 /nfs/dbraw/zinc/14/13/20/1427141320.db2.gz ODWPRHKEESAFNJ-UHFFFAOYSA-N 0 0 386.390 3.065 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)c2nn(-c3ccccc3F)c3c2CCC3)c1 ZINC000174406042 1427143790 /nfs/dbraw/zinc/14/37/90/1427143790.db2.gz NUZHNUCXCBXSDJ-UHFFFAOYSA-N 0 0 378.382 3.441 20 30 GGEDRN CC(C)c1nc(C(=O)NCc2cc(C#N)ccc2F)nn1-c1ccccc1F ZINC000174407746 1427144603 /nfs/dbraw/zinc/14/46/03/1427144603.db2.gz BVEDKPZOLNSSIR-UHFFFAOYSA-N 0 0 381.386 3.471 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1 ZINC000174409593 1427145106 /nfs/dbraw/zinc/14/51/06/1427145106.db2.gz YMTWTZFZFQCBMU-INIZCTEOSA-N 0 0 383.398 3.005 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000174411346 1427145848 /nfs/dbraw/zinc/14/58/48/1427145848.db2.gz PUPOQVIZUFFGGT-IIBYNOLFSA-N 0 0 380.444 3.243 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)c1 ZINC000174412084 1427146380 /nfs/dbraw/zinc/14/63/80/1427146380.db2.gz YEFPNBXLDBOLRA-UHFFFAOYSA-N 0 0 385.292 3.302 20 30 GGEDRN CCc1nc(C(=O)NCc2cc(C#N)ccc2F)nn1-c1ccccc1Cl ZINC000174416258 1427147999 /nfs/dbraw/zinc/14/79/99/1427147999.db2.gz MWDKITAEJBIPQA-UHFFFAOYSA-N 0 0 383.814 3.424 20 30 GGEDRN CN(C(=O)c1ccco1)c1ccccc1C(=O)NCc1cc(C#N)ccc1F ZINC000174416900 1427148970 /nfs/dbraw/zinc/14/89/70/1427148970.db2.gz ZNZXBCHUFSQOIH-UHFFFAOYSA-N 0 0 377.375 3.497 20 30 GGEDRN COc1ccc(-c2noc(CCC(=O)NCc3cc(C#N)ccc3F)n2)cc1 ZINC000174422703 1427150834 /nfs/dbraw/zinc/15/08/34/1427150834.db2.gz QJSHGWMCGKBJDG-UHFFFAOYSA-N 0 0 380.379 3.005 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000174426822 1427151661 /nfs/dbraw/zinc/15/16/61/1427151661.db2.gz NLNWAHOLVUZNFW-UHFFFAOYSA-N 0 0 382.395 3.138 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1 ZINC000174427449 1427152111 /nfs/dbraw/zinc/15/21/11/1427152111.db2.gz PMCRQNLUAOZDRY-NRFANRHFSA-N 0 0 387.414 3.485 20 30 GGEDRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N(CCC#N)CC(F)(F)F)C2)cc1 ZINC000174436284 1427155574 /nfs/dbraw/zinc/15/55/74/1427155574.db2.gz YPGHAYUUNKAOBC-MRXNPFEDSA-N 0 0 381.398 3.152 20 30 GGEDRN C#C[C@H](C)OC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000174437830 1427156316 /nfs/dbraw/zinc/15/63/16/1427156316.db2.gz RAEBERCXQNDGGX-NSHDSACASA-N 0 0 376.503 3.052 20 30 GGEDRN CCO[C@@H](C)c1nc(CN2CCN(C(=O)c3cccc(C#N)c3)CC2)cs1 ZINC000174439307 1427156421 /nfs/dbraw/zinc/15/64/21/1427156421.db2.gz RSAXWSJPJSMNRD-HNNXBMFYSA-N 0 0 384.505 3.070 20 30 GGEDRN CCO[C@@H](C)c1nc(CN2CCN(C(=O)c3cccc(CC#N)c3)CC2)cs1 ZINC000174439953 1427156794 /nfs/dbraw/zinc/15/67/94/1427156794.db2.gz HXTVKPNRCQRLMA-INIZCTEOSA-N 0 0 398.532 3.265 20 30 GGEDRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N(CCC#N)CC(F)(F)F)C2)c1 ZINC000174440220 1427156983 /nfs/dbraw/zinc/15/69/83/1427156983.db2.gz XLKUEUQNEOOFPC-INIZCTEOSA-N 0 0 395.425 3.460 20 30 GGEDRN COc1ccc2c(C)c(CCC(=O)N(CCC#N)CC(F)(F)F)c(=O)oc2c1 ZINC000174440994 1427157961 /nfs/dbraw/zinc/15/79/61/1427157961.db2.gz VUKZOQLTZQWJDZ-UHFFFAOYSA-N 0 0 396.365 3.347 20 30 GGEDRN CS(=O)(=O)c1cccc(Oc2ncccc2CNCc2ccc(C#N)cc2)c1 ZINC000174445469 1427159304 /nfs/dbraw/zinc/15/93/04/1427159304.db2.gz XLIISFFDCRPDQJ-UHFFFAOYSA-N 0 0 393.468 3.439 20 30 GGEDRN C#C[C@H](C)OC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000174469446 1427170955 /nfs/dbraw/zinc/17/09/55/1427170955.db2.gz QEPOVPJCOMXLFM-NSHDSACASA-N 0 0 376.206 3.402 20 30 GGEDRN Cc1c(NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cccc1[N+](=O)[O-] ZINC000174476661 1427173886 /nfs/dbraw/zinc/17/38/86/1427173886.db2.gz KGIGNLYUNVUTPS-UHFFFAOYSA-N 0 0 395.419 3.380 20 30 GGEDRN CC(=O)N1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000174494155 1427180986 /nfs/dbraw/zinc/18/09/86/1427180986.db2.gz AMOLOMPTPOOWBH-UHFFFAOYSA-N 0 0 382.395 3.186 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](OC)c1ccc(F)cc1 ZINC000174500678 1427186119 /nfs/dbraw/zinc/18/61/19/1427186119.db2.gz NUAKLFJUIQGRJI-HXUWFJFHSA-N 0 0 386.423 3.369 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2c(F)cccc2NC2CC2)cc1 ZINC000174510014 1427191975 /nfs/dbraw/zinc/19/19/75/1427191975.db2.gz XEAQGBJSYIOTRO-UHFFFAOYSA-N 0 0 389.452 3.117 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)CN1CCOc2ccc(Cl)cc21 ZINC000174514471 1427195655 /nfs/dbraw/zinc/19/56/55/1427195655.db2.gz GRJRCVMONYPUBX-UHFFFAOYSA-N 0 0 386.839 3.255 20 30 GGEDRN CC(C)n1cnnc1[C@H]1CCCN(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000174548840 1427217763 /nfs/dbraw/zinc/21/77/63/1427217763.db2.gz MZPLBRURFMSCAX-INIZCTEOSA-N 0 0 398.536 3.293 20 30 GGEDRN Cc1nc(SCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)n[nH]1 ZINC000174551933 1427220178 /nfs/dbraw/zinc/22/01/78/1427220178.db2.gz OMJSVEXJDAIKCC-SFHVURJKSA-N 0 0 393.472 3.165 20 30 GGEDRN Cc1nc(SCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)n[nH]1 ZINC000174551949 1427220279 /nfs/dbraw/zinc/22/02/79/1427220279.db2.gz OMJSVEXJDAIKCC-GOSISDBHSA-N 0 0 393.472 3.165 20 30 GGEDRN CC(C)n1cnnc1[C@@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000174557605 1427222823 /nfs/dbraw/zinc/22/28/23/1427222823.db2.gz UCRSGBPCNPPGSB-RBUKOAKNSA-N 0 0 394.523 3.374 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1C#N ZINC000174566851 1427227291 /nfs/dbraw/zinc/22/72/91/1427227291.db2.gz YRKAKQSXCIVRDZ-GOSISDBHSA-N 0 0 375.432 3.195 20 30 GGEDRN Cc1ccc(OCCNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000174566187 1427227484 /nfs/dbraw/zinc/22/74/84/1427227484.db2.gz MKMRHYAYZCQBOW-UHFFFAOYSA-N 0 0 391.349 3.019 20 30 GGEDRN C#CCCCNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000174571798 1427232043 /nfs/dbraw/zinc/23/20/43/1427232043.db2.gz MMOBJDUBZYJASI-UHFFFAOYSA-N 0 0 379.298 3.210 20 30 GGEDRN CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000174573774 1427233885 /nfs/dbraw/zinc/23/38/85/1427233885.db2.gz PYDQPTRDQQXJGX-VQTJNVASSA-N 0 0 395.507 3.363 20 30 GGEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000174575628 1427234963 /nfs/dbraw/zinc/23/49/63/1427234963.db2.gz FHQKCHLFIHWJQT-UHFFFAOYSA-N 0 0 378.432 3.356 20 30 GGEDRN Cc1ccc(NC(=O)CN2CCN([C@H](C#N)c3ccccc3)CC2)c(Cl)c1 ZINC000174576720 1427235359 /nfs/dbraw/zinc/23/53/59/1427235359.db2.gz MAJJEPKFQOYFJB-HXUWFJFHSA-N 0 0 382.895 3.469 20 30 GGEDRN N#Cc1cc(NC(=O)c2ccc(Br)o2)ccc1N1CCC(O)CC1 ZINC000174577430 1427236043 /nfs/dbraw/zinc/23/60/43/1427236043.db2.gz CGGCIIMKVHPHBM-UHFFFAOYSA-N 0 0 390.237 3.127 20 30 GGEDRN N#Cc1cc(NC(=O)CCC(=O)c2cccs2)ccc1N1CCC(O)CC1 ZINC000174578711 1427236671 /nfs/dbraw/zinc/23/66/71/1427236671.db2.gz QHHJJSNINUWTOP-UHFFFAOYSA-N 0 0 383.473 3.182 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCN(Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000174578282 1427237105 /nfs/dbraw/zinc/23/71/05/1427237105.db2.gz RUZXLEXJEIXWEE-HSZRJFAPSA-N 0 0 388.515 3.305 20 30 GGEDRN COc1ccc(CCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1F ZINC000174579057 1427237443 /nfs/dbraw/zinc/23/74/43/1427237443.db2.gz CSQJWHWKGAYLCK-UHFFFAOYSA-N 0 0 397.450 3.238 20 30 GGEDRN N#Cc1cc(NC(=O)c2cccc(OC(F)F)c2)ccc1N1CCC(O)CC1 ZINC000174579137 1427237537 /nfs/dbraw/zinc/23/75/37/1427237537.db2.gz DFVHMYLLQYEAAM-UHFFFAOYSA-N 0 0 387.386 3.373 20 30 GGEDRN CC(=O)N(c1nc(CN2CCN([C@H](C#N)c3ccccc3)CC2)cs1)C1CC1 ZINC000174580384 1427238222 /nfs/dbraw/zinc/23/82/22/1427238222.db2.gz OMHADYXFORXXLL-HXUWFJFHSA-N 0 0 395.532 3.041 20 30 GGEDRN C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000174581491 1427239057 /nfs/dbraw/zinc/23/90/57/1427239057.db2.gz INODXDUDXAVTHX-HNNXBMFYSA-N 0 0 381.451 3.476 20 30 GGEDRN N#Cc1cc(NC(=O)c2cc(-c3cccs3)[nH]n2)ccc1N1CCC(O)CC1 ZINC000174583746 1427240744 /nfs/dbraw/zinc/24/07/44/1427240744.db2.gz IAXFDXSYXPVFDN-UHFFFAOYSA-N 0 0 393.472 3.223 20 30 GGEDRN CC(=O)Nc1cc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)ccc1C ZINC000174584078 1427241201 /nfs/dbraw/zinc/24/12/01/1427241201.db2.gz OZULAIMLCZRPKS-UHFFFAOYSA-N 0 0 392.459 3.039 20 30 GGEDRN N#Cc1cc(NC(=O)CCOCc2ccccc2)ccc1N1CCC(O)CC1 ZINC000174586271 1427241812 /nfs/dbraw/zinc/24/18/12/1427241812.db2.gz UPRBMWISCDPRRZ-UHFFFAOYSA-N 0 0 379.460 3.065 20 30 GGEDRN COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000174586996 1427242570 /nfs/dbraw/zinc/24/25/70/1427242570.db2.gz CCQZFAUQPLGZED-HNNXBMFYSA-N 0 0 389.459 3.038 20 30 GGEDRN CCO[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C12CCCC2 ZINC000174588792 1427243650 /nfs/dbraw/zinc/24/36/50/1427243650.db2.gz YOLQVGXWMPVMRI-CVEARBPZSA-N 0 0 375.856 3.004 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000174593014 1427245643 /nfs/dbraw/zinc/24/56/43/1427245643.db2.gz AHCOTGTVQSLLAK-UHFFFAOYSA-N 0 0 378.457 3.028 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1nc2cc(F)ccc2n1C ZINC000174595548 1427247942 /nfs/dbraw/zinc/24/79/42/1427247942.db2.gz FCFGOUQMQUAXBP-UHFFFAOYSA-N 0 0 382.395 3.390 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCCO[C@H](C)c1ccccc1 ZINC000174600604 1427251193 /nfs/dbraw/zinc/25/11/93/1427251193.db2.gz MSMOECCFOSLCTP-MRXNPFEDSA-N 0 0 398.434 3.060 20 30 GGEDRN C=CCN1C(=O)N[C@H](c2ccc(C#N)o2)C(C(=O)Nc2ccc(F)cc2)=C1C ZINC000174603197 1427253280 /nfs/dbraw/zinc/25/32/80/1427253280.db2.gz HJZUWMMMVNGVGY-GOSISDBHSA-N 0 0 380.379 3.455 20 30 GGEDRN Cc1nnc(-c2cccc(C(=O)N3CCN(c4cccc(F)c4C#N)CC3)c2)o1 ZINC000174605466 1427256354 /nfs/dbraw/zinc/25/63/54/1427256354.db2.gz LSUXAPHAKKUTRI-UHFFFAOYSA-N 0 0 391.406 3.018 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1C#N ZINC000174614186 1427262958 /nfs/dbraw/zinc/26/29/58/1427262958.db2.gz CVWIYIOIOJTPIP-UHFFFAOYSA-N 0 0 391.349 3.063 20 30 GGEDRN Cc1ccc(N2C(=O)N[C@H](c3ccc(C#N)o3)C(C(=O)N(C)C)=C2C)cc1F ZINC000174615869 1427264199 /nfs/dbraw/zinc/26/41/99/1427264199.db2.gz CLGOORJJUSVJMC-GOSISDBHSA-N 0 0 382.395 3.232 20 30 GGEDRN Cc1ccc(N2C(=O)N[C@@H](c3ccc(C#N)o3)C(C(=O)N(C)C)=C2C)cc1F ZINC000174615859 1427264801 /nfs/dbraw/zinc/26/48/01/1427264801.db2.gz CLGOORJJUSVJMC-SFHVURJKSA-N 0 0 382.395 3.232 20 30 GGEDRN COCCOc1ccc(CNc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 ZINC000174616713 1427264866 /nfs/dbraw/zinc/26/48/66/1427264866.db2.gz BMNZNEXIYLNMCR-UHFFFAOYSA-N 0 0 381.476 3.157 20 30 GGEDRN N#CC1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CCCCC1 ZINC000174617197 1427265278 /nfs/dbraw/zinc/26/52/78/1427265278.db2.gz LDCUGPORPGICCW-MRXNPFEDSA-N 0 0 391.418 3.374 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCc2cc(F)cc(F)c2)cc1C(F)(F)F ZINC000174618791 1427266432 /nfs/dbraw/zinc/26/64/32/1427266432.db2.gz OUUTZQDFPSWKDW-UHFFFAOYSA-N 0 0 383.276 3.110 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)CC(F)F)c1 ZINC000174623593 1427269733 /nfs/dbraw/zinc/26/97/33/1427269733.db2.gz MMAGANPMFUBRHO-UHFFFAOYSA-N 0 0 394.443 3.058 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1cccc(OCCCC)c1 ZINC000174623282 1427269983 /nfs/dbraw/zinc/26/99/83/1427269983.db2.gz SKILBEVOVMLHSD-UHFFFAOYSA-N 0 0 398.434 3.272 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000174625946 1427271654 /nfs/dbraw/zinc/27/16/54/1427271654.db2.gz XOYWFZKNULORDX-OAHLLOKOSA-N 0 0 398.434 3.441 20 30 GGEDRN CCOc1cc2c(cc1CNC(=O)NCc1cc(C#N)ccc1F)O[C@H](C)C2 ZINC000174631332 1427276828 /nfs/dbraw/zinc/27/68/28/1427276828.db2.gz HHDIDUFQQIUXNC-CYBMUJFWSA-N 0 0 383.423 3.419 20 30 GGEDRN COc1cccc(-c2noc([C@H](C)NC(=O)Cc3ccc(OCC#N)cc3)n2)c1 ZINC000174642053 1427281435 /nfs/dbraw/zinc/28/14/35/1427281435.db2.gz HLUDIECQCUARKP-AWEZNQCLSA-N 0 0 392.415 3.067 20 30 GGEDRN C=CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)Cc1ccccc1F ZINC000174641783 1427281466 /nfs/dbraw/zinc/28/14/66/1427281466.db2.gz UBNOXABRSAFGKT-UHFFFAOYSA-N 0 0 387.436 3.253 20 30 GGEDRN C=CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000174641818 1427281499 /nfs/dbraw/zinc/28/14/99/1427281499.db2.gz WCEIHYJGAZPERZ-UHFFFAOYSA-N 0 0 387.436 3.253 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000174641120 1427281613 /nfs/dbraw/zinc/28/16/13/1427281613.db2.gz UKPPXCLYTKIXKQ-OAHLLOKOSA-N 0 0 398.434 3.441 20 30 GGEDRN C[C@@H]1CCCC[C@@H]1OCCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174645415 1427284617 /nfs/dbraw/zinc/28/46/17/1427284617.db2.gz NSSJVMPKNCWSSE-WBMJQRKESA-N 0 0 397.397 3.227 20 30 GGEDRN C[C@@H]1CCCC[C@H]1OCCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174645441 1427284999 /nfs/dbraw/zinc/28/49/99/1427284999.db2.gz NSSJVMPKNCWSSE-MLGOLLRUSA-N 0 0 397.397 3.227 20 30 GGEDRN C#CCOc1ccc(C(=O)N[C@H](C)c2nc(-c3cccc(OC)c3)no2)cc1 ZINC000174646884 1427285681 /nfs/dbraw/zinc/28/56/81/1427285681.db2.gz UYIKKTNXHNJNJK-CQSZACIVSA-N 0 0 377.400 3.248 20 30 GGEDRN C#CCOc1ccc(C(=O)N[C@@H](C)c2nc(-c3cccc(OC)c3)no2)cc1 ZINC000174646873 1427285718 /nfs/dbraw/zinc/28/57/18/1427285718.db2.gz UYIKKTNXHNJNJK-AWEZNQCLSA-N 0 0 377.400 3.248 20 30 GGEDRN Cc1nc(SCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n[nH]1 ZINC000174649340 1427286979 /nfs/dbraw/zinc/28/69/79/1427286979.db2.gz BHHFWBDXYUAVKA-UHFFFAOYSA-N 0 0 395.463 3.445 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000174651226 1427289286 /nfs/dbraw/zinc/28/92/86/1427289286.db2.gz BUAIVYLVODLKCZ-INIZCTEOSA-N 0 0 380.419 3.013 20 30 GGEDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C(=O)Nc2cccc(C)c2C#N)c1 ZINC000174666894 1427297378 /nfs/dbraw/zinc/29/73/78/1427297378.db2.gz PEEMIDQKCCUNCS-CQSZACIVSA-N 0 0 392.459 3.106 20 30 GGEDRN C=CCn1c2nnc(SCC3(O)CCC(C)CC3)n2c2ccccc2c1=O ZINC000174669085 1427299174 /nfs/dbraw/zinc/29/91/74/1427299174.db2.gz CUBJCRNDAXZOIN-UHFFFAOYSA-N 0 0 384.505 3.264 20 30 GGEDRN C=CCn1c2nnc(SC[C@@H](O)c3ccc(C)cc3)n2c2ccccc2c1=O ZINC000174669053 1427299192 /nfs/dbraw/zinc/29/91/92/1427299192.db2.gz IORQMASJEUDZLD-GOSISDBHSA-N 0 0 392.484 3.364 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000174671469 1427300405 /nfs/dbraw/zinc/30/04/05/1427300405.db2.gz VDAGDHGVVNWTHX-ZDUSSCGKSA-N 0 0 386.452 3.284 20 30 GGEDRN Cc1cc(CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc(C)c1O ZINC000174672602 1427301179 /nfs/dbraw/zinc/30/11/79/1427301179.db2.gz XWWQHOGJXPPAPI-UHFFFAOYSA-N 0 0 391.349 3.154 20 30 GGEDRN CN(CCOc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174693505 1427313386 /nfs/dbraw/zinc/31/33/86/1427313386.db2.gz AUAFQTUBUFFPGK-UHFFFAOYSA-N 0 0 391.349 3.053 20 30 GGEDRN CN1CCOc2ccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)cc21 ZINC000174699410 1427316726 /nfs/dbraw/zinc/31/67/26/1427316726.db2.gz OUATZWCVCIAZTB-UHFFFAOYSA-N 0 0 392.459 3.181 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1sc(C)cc1C(=O)OCC ZINC000174702551 1427318379 /nfs/dbraw/zinc/31/83/79/1427318379.db2.gz YMAYWKHYZROGQO-UHFFFAOYSA-N 0 0 392.502 3.448 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2N2CCCC2)c1C#N ZINC000174706098 1427320682 /nfs/dbraw/zinc/32/06/82/1427320682.db2.gz KQIWRDWQIBNGAZ-UHFFFAOYSA-N 0 0 376.460 3.064 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1C#N ZINC000174711959 1427324193 /nfs/dbraw/zinc/32/41/93/1427324193.db2.gz GFKNDEOXNMHCIX-UHFFFAOYSA-N 0 0 387.443 3.088 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000174712575 1427324845 /nfs/dbraw/zinc/32/48/45/1427324845.db2.gz QCKHCSGEYKHMST-LBPRGKRZSA-N 0 0 390.361 3.274 20 30 GGEDRN N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000174716287 1427327058 /nfs/dbraw/zinc/32/70/58/1427327058.db2.gz XMDQBMQXJIFCKH-HNNXBMFYSA-N 0 0 379.485 3.437 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000174723868 1427332208 /nfs/dbraw/zinc/33/22/08/1427332208.db2.gz XRWZWCZZZOKTAD-UHFFFAOYSA-N 0 0 384.382 3.107 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000174727342 1427333960 /nfs/dbraw/zinc/33/39/60/1427333960.db2.gz GNTALZJRFROMAH-UHFFFAOYSA-N 0 0 375.350 3.260 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccccc1CC(F)(F)F ZINC000174727092 1427334007 /nfs/dbraw/zinc/33/40/07/1427334007.db2.gz FLNMOOVVUJQLIU-UHFFFAOYSA-N 0 0 375.350 3.260 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000174729084 1427334838 /nfs/dbraw/zinc/33/48/38/1427334838.db2.gz QEAHYQBHFQSJEK-GFCCVEGCSA-N 0 0 390.361 3.274 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000174729070 1427334914 /nfs/dbraw/zinc/33/49/14/1427334914.db2.gz QEAHYQBHFQSJEK-LBPRGKRZSA-N 0 0 390.361 3.274 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCCc2c(F)cccc2F)cc1C(F)(F)F ZINC000174733188 1427337333 /nfs/dbraw/zinc/33/73/33/1427337333.db2.gz GHWQXGIUBOJHGZ-UHFFFAOYSA-N 0 0 397.303 3.153 20 30 GGEDRN COc1ccc(C(=O)N[C@H](C(=O)OCC2(CC#N)CC2)c2ccccc2)cc1 ZINC000174734111 1427338084 /nfs/dbraw/zinc/33/80/84/1427338084.db2.gz RBNQONNVQUITRV-IBGZPJMESA-N 0 0 378.428 3.403 20 30 GGEDRN N#CCC1(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000174733529 1427338233 /nfs/dbraw/zinc/33/82/33/1427338233.db2.gz UUHOYSXFZCLYOA-UHFFFAOYSA-N 0 0 396.896 3.365 20 30 GGEDRN N#CCC1(COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1 ZINC000174737285 1427340541 /nfs/dbraw/zinc/34/05/41/1427340541.db2.gz WVQVFWCBUZLZDF-UHFFFAOYSA-N 0 0 396.896 3.365 20 30 GGEDRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)OCC3(CC#N)CC3)c2)C1 ZINC000174743068 1427343781 /nfs/dbraw/zinc/34/37/81/1427343781.db2.gz HSDQHCANSIDYQT-HZPDHXFCSA-N 0 0 390.505 3.204 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000174744523 1427344487 /nfs/dbraw/zinc/34/44/87/1427344487.db2.gz OPGWKNIXOLSNTK-OAHLLOKOSA-N 0 0 376.416 3.009 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)OCC1(CC#N)CC1 ZINC000174748602 1427346318 /nfs/dbraw/zinc/34/63/18/1427346318.db2.gz RNUMHOIDHSFYDP-INIZCTEOSA-N 0 0 390.505 3.409 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)CCCCc1ccccc1 ZINC000174749201 1427347273 /nfs/dbraw/zinc/34/72/73/1427347273.db2.gz DRBWXMLHBGVEMX-UHFFFAOYSA-N 0 0 382.435 3.258 20 30 GGEDRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)OCC3(CC#N)CC3)cc2)c1C ZINC000174750005 1427347536 /nfs/dbraw/zinc/34/75/36/1427347536.db2.gz QTAZKBHKNVHFRR-UHFFFAOYSA-N 0 0 395.459 3.445 20 30 GGEDRN N#CCC1(COC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)CC1 ZINC000174756616 1427350694 /nfs/dbraw/zinc/35/06/94/1427350694.db2.gz DCGSNTWEKXTKBH-UHFFFAOYSA-N 0 0 388.420 3.477 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N(C)CCCOc2cccc(Cl)c2)c1C#N ZINC000174758878 1427351889 /nfs/dbraw/zinc/35/18/89/1427351889.db2.gz USZCWMMOCAUFBP-UHFFFAOYSA-N 0 0 385.851 3.386 20 30 GGEDRN C#CCCCNC(=O)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 ZINC000174768397 1427357488 /nfs/dbraw/zinc/35/74/88/1427357488.db2.gz JPDGZUWBUNDTCY-UHFFFAOYSA-N 0 0 385.489 3.437 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NS(=O)(=O)C[C@@H]2CCCO2)cc1F ZINC000174771455 1427358510 /nfs/dbraw/zinc/35/85/10/1427358510.db2.gz PCTJCJBJCNZLDE-HNNXBMFYSA-N 0 0 376.409 3.410 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](CC(C)C)C2)cc1 ZINC000174781896 1427364661 /nfs/dbraw/zinc/36/46/61/1427364661.db2.gz FYYAGDBFNXKIHE-MRXNPFEDSA-N 0 0 379.526 3.393 20 30 GGEDRN C=CCOc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000174788229 1427368424 /nfs/dbraw/zinc/36/84/24/1427368424.db2.gz WMZWXYHLPFJQOQ-GOSISDBHSA-N 0 0 385.508 3.232 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccoc2)cc1F ZINC000174791270 1427370048 /nfs/dbraw/zinc/37/00/48/1427370048.db2.gz WUAHCZZQSVCUHQ-UHFFFAOYSA-N 0 0 379.347 3.338 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c1C#N ZINC000174793099 1427371055 /nfs/dbraw/zinc/37/10/55/1427371055.db2.gz QUBURGMDDYJPPX-PXNSSMCTSA-N 0 0 377.444 3.089 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)NCc2cccc(NC(=O)CC(C)C)c2)c1C#N ZINC000174794546 1427372383 /nfs/dbraw/zinc/37/23/83/1427372383.db2.gz HCMCLLQCQXVKAZ-UHFFFAOYSA-N 0 0 392.459 3.106 20 30 GGEDRN C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cccc(-c2nnc(C)o2)c1 ZINC000174802338 1427377374 /nfs/dbraw/zinc/37/73/74/1427377374.db2.gz VVTVWQRLRPJXIB-UHFFFAOYSA-N 0 0 390.443 3.241 20 30 GGEDRN CSCCCOC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000174803529 1427377538 /nfs/dbraw/zinc/37/75/38/1427377538.db2.gz GEBYUCPTIKVJDI-UHFFFAOYSA-N 0 0 375.450 3.319 20 30 GGEDRN Cc1cnc(COC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 ZINC000174803517 1427377785 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Cc1cc(NC(=O)CN(CCC#N)Cc2ccccn2)n(-c2ccc(C)cc2)n1 ZINC000174833255 1427393661 /nfs/dbraw/zinc/39/36/61/1427393661.db2.gz DZRTXEOMVNADIH-UHFFFAOYSA-N 0 0 388.475 3.239 20 30 GGEDRN CCc1ccccc1Nc1nc(N)nc(CN(CCC#N)Cc2ccccn2)n1 ZINC000174837469 1427396900 /nfs/dbraw/zinc/39/69/00/1427396900.db2.gz HHOHHGWTWLRJRN-UHFFFAOYSA-N 0 0 388.479 3.071 20 30 GGEDRN CCN(C(=O)CN(CCC#N)Cc1ccccn1)c1nc2ccccc2s1 ZINC000174837682 1427397288 /nfs/dbraw/zinc/39/72/88/1427397288.db2.gz PJBOHTSAKFWASV-UHFFFAOYSA-N 0 0 379.489 3.460 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N[C@@H](c2nccs2)c2ccccc2)c1C#N ZINC000174838466 1427397360 /nfs/dbraw/zinc/39/73/60/1427397360.db2.gz GTOQJEINHXBKIT-QGZVFWFLSA-N 0 0 376.441 3.168 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000174839295 1427397843 /nfs/dbraw/zinc/39/78/43/1427397843.db2.gz YXVIZVITCBKVGU-HXUWFJFHSA-N 0 0 380.419 3.434 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)NCCOc2ccccc2C(F)(F)F)c1C#N ZINC000174845200 1427403132 /nfs/dbraw/zinc/40/31/32/1427403132.db2.gz 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/nfs/dbraw/zinc/89/67/34/1427896734.db2.gz BRUNGEMPFKZQFK-GFCCVEGCSA-N 0 0 392.864 3.380 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1cccc(OC(F)(F)F)c1 ZINC000175803267 1427898655 /nfs/dbraw/zinc/89/86/55/1427898655.db2.gz ILMPHDJAEZQGGN-SNVBAGLBSA-N 0 0 395.312 3.412 20 30 GGEDRN C#Cc1cccc(NC(=O)C(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)c1 ZINC000175803792 1427899430 /nfs/dbraw/zinc/89/94/30/1427899430.db2.gz PJSSVNXRFFGXSQ-GFCCVEGCSA-N 0 0 376.334 3.382 20 30 GGEDRN N#Cc1ccc(CNC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)cc1 ZINC000175837352 1427920322 /nfs/dbraw/zinc/92/03/22/1427920322.db2.gz MCSZFRXQMXPQFS-UHFFFAOYSA-N 0 0 379.419 3.213 20 30 GGEDRN CN1C(=O)CN(C(=O)c2occc2COc2cccc(C#N)c2)c2ccccc21 ZINC000175837666 1427921360 /nfs/dbraw/zinc/92/13/60/1427921360.db2.gz ZZQOEMKNGFOZSP-UHFFFAOYSA-N 0 0 387.395 3.353 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)NCc3cccs3)c(C#N)c2N)cc1 ZINC000175867584 1427941553 /nfs/dbraw/zinc/94/15/53/1427941553.db2.gz NMYIMXVJDNNBBT-UHFFFAOYSA-N 0 0 394.504 3.128 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([S@@](C)=O)c(F)c1 ZINC000175884698 1427950578 /nfs/dbraw/zinc/95/05/78/1427950578.db2.gz GQXQLIYZWHQEDZ-HHHXNRCGSA-N 0 0 389.452 3.115 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000175884685 1427950623 /nfs/dbraw/zinc/95/06/23/1427950623.db2.gz GQXQLIYZWHQEDZ-MHZLTWQESA-N 0 0 389.452 3.115 20 30 GGEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCCCN1CCCCCC1=O ZINC000175885468 1427951483 /nfs/dbraw/zinc/95/14/83/1427951483.db2.gz VNXCIMJIHDAHGB-UHFFFAOYSA-N 0 0 395.425 3.149 20 30 GGEDRN C[C@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000175890017 1427954027 /nfs/dbraw/zinc/95/40/27/1427954027.db2.gz IVXMDDKJXMSFDZ-GFCCVEGCSA-N 0 0 399.501 3.250 20 30 GGEDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000175900405 1427959841 /nfs/dbraw/zinc/95/98/41/1427959841.db2.gz XKVVPDJCCWHQQD-UHFFFAOYSA-N 0 0 384.435 3.389 20 30 GGEDRN C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCOC[C@@H]1C#N ZINC000175900209 1427959857 /nfs/dbraw/zinc/95/98/57/1427959857.db2.gz CSPPDCZCBYSQJV-DOMZBBRYSA-N 0 0 391.880 3.368 20 30 GGEDRN C[C@H](NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1nnc2ccccn21 ZINC000175900862 1427959886 /nfs/dbraw/zinc/95/98/86/1427959886.db2.gz AFNDKZCMDZVPLV-ZDUSSCGKSA-N 0 0 387.365 3.160 20 30 GGEDRN COc1ccc(CC(N)=NOCc2nc(Cc3ccccc3C)no2)cc1OC ZINC000175903900 1427961927 /nfs/dbraw/zinc/96/19/27/1427961927.db2.gz VDKSREQJWSDEJS-UHFFFAOYSA-N 0 0 396.447 3.018 20 30 GGEDRN CCC(CC)c1cc(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)on1 ZINC000175904932 1427962580 /nfs/dbraw/zinc/96/25/80/1427962580.db2.gz CXNOZOXRGMQSDG-LJQANCHMSA-N 0 0 395.507 3.498 20 30 GGEDRN C[S@@](=O)c1ccc(NC(=O)NCCSCc2ccccc2C#N)cc1F ZINC000175908201 1427965470 /nfs/dbraw/zinc/96/54/70/1427965470.db2.gz XZHNJRHDTRKRPR-AREMUKBSSA-N 0 0 391.493 3.490 20 30 GGEDRN CC(C)Oc1ccc(CC[C@@H](C)NC(=O)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000175923817 1427974723 /nfs/dbraw/zinc/97/47/23/1427974723.db2.gz FACZVIFBDZCKPV-MRXNPFEDSA-N 0 0 379.460 3.421 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1c(C)c2ccccc2[nH]c1=O ZINC000175929681 1427979599 /nfs/dbraw/zinc/97/95/99/1427979599.db2.gz ARYHOJDGJPLZGP-UHFFFAOYSA-N 0 0 375.428 3.409 20 30 GGEDRN COc1ccc(C(=O)CCC(=O)N2CCN(c3ccccc3C#N)CC2)cc1F ZINC000175931211 1427979893 /nfs/dbraw/zinc/97/98/93/1427979893.db2.gz HATPQDYDZWHVGS-UHFFFAOYSA-N 0 0 395.434 3.018 20 30 GGEDRN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C#Cc1ccccc1 ZINC000175931975 1427981054 /nfs/dbraw/zinc/98/10/54/1427981054.db2.gz KLEQRVDUYMZEBF-UHFFFAOYSA-N 0 0 385.261 3.206 20 30 GGEDRN N#Cc1cc(F)ccc1NC(=O)C(=O)NCCCSc1ccc(F)cc1 ZINC000175939177 1427984847 /nfs/dbraw/zinc/98/48/47/1427984847.db2.gz NBTKQCAIUBBLRX-UHFFFAOYSA-N 0 0 375.400 3.074 20 30 GGEDRN CC(C)[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1nc2ccccc2[nH]1 ZINC000175938885 1427985055 /nfs/dbraw/zinc/98/50/55/1427985055.db2.gz MNAVBKMCMDMYKQ-KRWDZBQOSA-N 0 0 379.395 3.026 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C[C@H](C)c2cccc(OC)c2)cc1 ZINC000175946716 1427988876 /nfs/dbraw/zinc/98/88/76/1427988876.db2.gz KXTWIZCYGBOTJO-HRAATJIYSA-N 0 0 394.471 3.265 20 30 GGEDRN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c2cccc(OC)c2)cc1 ZINC000175946764 1427988935 /nfs/dbraw/zinc/98/89/35/1427988935.db2.gz KXTWIZCYGBOTJO-IERDGZPVSA-N 0 0 394.471 3.265 20 30 GGEDRN CCC1(CNC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCC1 ZINC000175950287 1427991156 /nfs/dbraw/zinc/99/11/56/1427991156.db2.gz HUPLLSXYTGKMJP-OQKWZONESA-N 0 0 392.525 3.201 20 30 GGEDRN COc1cc(F)ccc1N1CCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC000175949915 1427991262 /nfs/dbraw/zinc/99/12/62/1427991262.db2.gz UAVDWWAOKHJIPJ-UHFFFAOYSA-N 0 0 385.464 3.412 20 30 GGEDRN C[C@H](NC(=O)NCc1cc(C#N)ccc1F)c1ccc(N2CCOC2=O)cc1 ZINC000175950304 1427991374 /nfs/dbraw/zinc/99/13/74/1427991374.db2.gz FFXFRRLKPQBOBQ-ZDUSSCGKSA-N 0 0 382.395 3.214 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1cccc(OC(F)F)c1 ZINC000175949351 1427991446 /nfs/dbraw/zinc/99/14/46/1427991446.db2.gz WOSAFRNQSBZUFR-JTQLQIEISA-N 0 0 377.322 3.115 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccc(OC(F)F)cc1 ZINC000175949393 1427991515 /nfs/dbraw/zinc/99/15/15/1427991515.db2.gz QPKNSANUYFEALS-JTQLQIEISA-N 0 0 377.322 3.115 20 30 GGEDRN N#Cc1ccc(N2CC[C@@H](N3CC[C@H](OCCCc4ccccc4)C3)C2=O)cc1 ZINC000175949502 1427991543 /nfs/dbraw/zinc/99/15/43/1427991543.db2.gz BSZIZTIZJYFDNX-XZOQPEGZSA-N 0 0 389.499 3.387 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccc(OC(F)F)cc1 ZINC000175949411 1427991602 /nfs/dbraw/zinc/99/16/02/1427991602.db2.gz QPKNSANUYFEALS-SNVBAGLBSA-N 0 0 377.322 3.115 20 30 GGEDRN N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CC1 ZINC000175953061 1427993970 /nfs/dbraw/zinc/99/39/70/1427993970.db2.gz AKFFJAZNTSRLKW-QFIPXVFZSA-N 0 0 398.466 3.268 20 30 GGEDRN Cn1c2ccccc2n2c(SCc3nnc(-c4ccc(C#N)cc4)o3)nnc12 ZINC000175954566 1427994995 /nfs/dbraw/zinc/99/49/95/1427994995.db2.gz FFNRSNZYMBQSNB-UHFFFAOYSA-N 0 0 387.428 3.435 20 30 GGEDRN CCOc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(F)cc2C#N)cc1 ZINC000175957486 1427997181 /nfs/dbraw/zinc/99/71/81/1427997181.db2.gz NYVQJZOGNICLCC-IBGZPJMESA-N 0 0 381.407 3.398 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)CCN2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000175957991 1427997295 /nfs/dbraw/zinc/99/72/95/1427997295.db2.gz CLABWLDUYUDGGT-NRFANRHFSA-N 0 0 398.528 3.056 20 30 GGEDRN C=C(Br)CNC(=O)N(CC)CC1CCN(c2ccccn2)CC1 ZINC000175958563 1427997871 /nfs/dbraw/zinc/99/78/71/1427997871.db2.gz LKHPOJJFDNDGFT-UHFFFAOYSA-N 0 0 381.318 3.238 20 30 GGEDRN C=C(Br)CNC(=O)N[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000175959113 1427998266 /nfs/dbraw/zinc/99/82/66/1427998266.db2.gz DWBFLLOGPPBNRK-SNVBAGLBSA-N 0 0 381.230 3.014 20 30 GGEDRN COCCCCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175969552 1428004751 /nfs/dbraw/zinc/00/47/51/1428004751.db2.gz CVVCPWLENROPDZ-UHFFFAOYSA-N 0 0 383.423 3.091 20 30 GGEDRN CC[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)N1CCCC1=O ZINC000175975219 1428007473 /nfs/dbraw/zinc/00/74/73/1428007473.db2.gz RJGLTIFSWPQISM-FQEVSTJZSA-N 0 0 377.444 3.477 20 30 GGEDRN CC(C)(C)OCc1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)c1 ZINC000175975327 1428007760 /nfs/dbraw/zinc/00/77/60/1428007760.db2.gz RQPMMFNCOZUTHD-UHFFFAOYSA-N 0 0 383.423 3.267 20 30 GGEDRN COCC[S@@](=O)Cc1cccc(NC(=O)c2cccc(SCC#N)c2)c1 ZINC000175981179 1428011499 /nfs/dbraw/zinc/01/14/99/1428011499.db2.gz MGIHCTWFYLPUKP-AREMUKBSSA-N 0 0 388.514 3.450 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NCc2nnc(-c3ccccc3)o2)cc1 ZINC000175984231 1428013289 /nfs/dbraw/zinc/01/32/89/1428013289.db2.gz IFDGZFXEKHREME-UHFFFAOYSA-N 0 0 384.461 3.155 20 30 GGEDRN N#CCSc1cccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 ZINC000175996282 1428018959 /nfs/dbraw/zinc/01/89/59/1428018959.db2.gz WQKSOCUHYPMTPG-KRWDZBQOSA-N 0 0 385.876 3.491 20 30 GGEDRN CC[C@H](C)[C@@H](C)NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC000176003091 1428021928 /nfs/dbraw/zinc/02/19/28/1428021928.db2.gz UVSNDZWRFQOULG-JKSUJKDBSA-N 0 0 382.512 3.301 20 30 GGEDRN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1cccc(SCC#N)c1 ZINC000176004218 1428022447 /nfs/dbraw/zinc/02/24/47/1428022447.db2.gz CINRWKSZOKIQLA-SFHVURJKSA-N 0 0 394.544 3.243 20 30 GGEDRN N#CCCCCNC(=O)C(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 ZINC000176003385 1428022458 /nfs/dbraw/zinc/02/24/58/1428022458.db2.gz AZIXVIOFLMWIRO-UHFFFAOYSA-N 0 0 387.827 3.016 20 30 GGEDRN N#CCSc1cccc(C(=O)NCc2ccccc2CN2CCOCC2)c1 ZINC000176003901 1428022568 /nfs/dbraw/zinc/02/25/68/1428022568.db2.gz LVPQMSVWFLTACN-UHFFFAOYSA-N 0 0 381.501 3.064 20 30 GGEDRN CN(C)c1ccc(N2CCC(NC(=O)N(C)Cc3cccc(C#N)c3)CC2)cc1 ZINC000176006774 1428023982 /nfs/dbraw/zinc/02/39/82/1428023982.db2.gz NIXJCCIUPJPNFA-UHFFFAOYSA-N 0 0 391.519 3.435 20 30 GGEDRN CC[C@H](C#N)OC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000176006672 1428024134 /nfs/dbraw/zinc/02/41/34/1428024134.db2.gz LIOUAIQBOVOHOJ-QGZVFWFLSA-N 0 0 378.494 3.056 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)NC[C@@H]3CC=CCC3)c(C#N)c2N)cc1 ZINC000176009071 1428025178 /nfs/dbraw/zinc/02/51/78/1428025178.db2.gz HWIAOVRUFUFOEN-QGZVFWFLSA-N 0 0 392.507 3.223 20 30 GGEDRN C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000176009144 1428025199 /nfs/dbraw/zinc/02/51/99/1428025199.db2.gz JQNGEGQDUNRJJX-HNNXBMFYSA-N 0 0 384.480 3.169 20 30 GGEDRN CC[C@@H](C#N)OC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 ZINC000176009358 1428025498 /nfs/dbraw/zinc/02/54/98/1428025498.db2.gz WIGHIRXKWUYLPD-VIFPVBQESA-N 0 0 398.238 3.139 20 30 GGEDRN C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3cccc(SCC#N)c3)CC2)C1 ZINC000176010780 1428025970 /nfs/dbraw/zinc/02/59/70/1428025970.db2.gz XAJNHVBSSBUYHG-INIZCTEOSA-N 0 0 385.533 3.413 20 30 GGEDRN CNC(=O)Cn1ccc2ccc(NC(=O)c3cccc(SCC#N)c3)cc21 ZINC000176013857 1428027456 /nfs/dbraw/zinc/02/74/56/1428027456.db2.gz VPCROFIWDIXGKL-UHFFFAOYSA-N 0 0 378.457 3.255 20 30 GGEDRN COC(=O)[C@@H]1CCC[C@H](C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000176020035 1428031001 /nfs/dbraw/zinc/03/10/01/1428031001.db2.gz ITASPJLMFNGSPY-DMDPSCGWSA-N 0 0 380.803 3.106 20 30 GGEDRN Cc1ccc(CCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)s1 ZINC000176021477 1428031069 /nfs/dbraw/zinc/03/10/69/1428031069.db2.gz WKIAUZMNDNSZRB-GOSISDBHSA-N 0 0 397.500 3.429 20 30 GGEDRN Cc1cc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c(F)cc1F ZINC000176022087 1428031573 /nfs/dbraw/zinc/03/15/73/1428031573.db2.gz ZSHSLTLQWHNXCS-UHFFFAOYSA-N 0 0 395.413 3.275 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CCCc2ccc(C)s2)cc1 ZINC000176021864 1428031839 /nfs/dbraw/zinc/03/18/39/1428031839.db2.gz NOJUEZLJDVRFFR-LJQANCHMSA-N 0 0 384.501 3.456 20 30 GGEDRN C[C@@H]1CN(Cc2cccc(CNC(=O)c3cccc(SCC#N)c3)c2)CCO1 ZINC000176030719 1428036130 /nfs/dbraw/zinc/03/61/30/1428036130.db2.gz UYLINPIQTXHASN-QGZVFWFLSA-N 0 0 395.528 3.453 20 30 GGEDRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)O[C@H](C#N)C(C)C)CC2)c(C)c1 ZINC000176031713 1428036184 /nfs/dbraw/zinc/03/61/84/1428036184.db2.gz XCILEHAILCMWLQ-GOSISDBHSA-N 0 0 392.521 3.104 20 30 GGEDRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)O[C@@H](C#N)C(C)C)CC2)c(C)c1 ZINC000176031699 1428036222 /nfs/dbraw/zinc/03/62/22/1428036222.db2.gz XCILEHAILCMWLQ-SFHVURJKSA-N 0 0 392.521 3.104 20 30 GGEDRN CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1cccnc1 ZINC000176033916 1428037718 /nfs/dbraw/zinc/03/77/18/1428037718.db2.gz XIJWTSXUWUVBCV-LJQANCHMSA-N 0 0 378.476 3.377 20 30 GGEDRN N#C[C@H](NC(=O)CCOc1cccc(C(N)=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000176041104 1428043377 /nfs/dbraw/zinc/04/33/77/1428043377.db2.gz FLCPNTGKPAWBPR-INIZCTEOSA-N 0 0 392.242 3.242 20 30 GGEDRN N#C[C@@H](NC(=O)CCOc1cccc(C(N)=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000176041123 1428043693 /nfs/dbraw/zinc/04/36/93/1428043693.db2.gz FLCPNTGKPAWBPR-MRXNPFEDSA-N 0 0 392.242 3.242 20 30 GGEDRN COc1ccccc1CN1CCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC000176042154 1428044482 /nfs/dbraw/zinc/04/44/82/1428044482.db2.gz QKPCSIBVJSLSFQ-UHFFFAOYSA-N 0 0 381.501 3.269 20 30 GGEDRN CC(C)[C@H](C#N)OC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000176047859 1428048557 /nfs/dbraw/zinc/04/85/57/1428048557.db2.gz ZXVWJPPJILDLEH-KRWDZBQOSA-N 0 0 394.399 3.471 20 30 GGEDRN CC(=O)Nc1cccc(-n2cnn(CN(CCC#N)CC(F)(F)F)c2=S)c1 ZINC000176054298 1428053476 /nfs/dbraw/zinc/05/34/76/1428053476.db2.gz FDFIERFLZPINRX-UHFFFAOYSA-N 0 0 398.414 3.097 20 30 GGEDRN Cc1nc(Cc2nn(CN(CCC#N)CC(F)(F)F)c(=S)o2)cs1 ZINC000176056899 1428056380 /nfs/dbraw/zinc/05/63/80/1428056380.db2.gz CSIDSANKLFXQCT-UHFFFAOYSA-N 0 0 377.417 3.297 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000176059186 1428058269 /nfs/dbraw/zinc/05/82/69/1428058269.db2.gz STZCHBNRHAODMV-UHFFFAOYSA-N 0 0 381.407 3.226 20 30 GGEDRN Cc1cc(C(=O)O[C@@H](C#N)C2CC2)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000176063060 1428061152 /nfs/dbraw/zinc/06/11/52/1428061152.db2.gz KPQIZXGWVMHIOC-SFHVURJKSA-N 0 0 390.505 3.183 20 30 GGEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(NC(N)=O)CC2)c1 ZINC000176062690 1428061355 /nfs/dbraw/zinc/06/13/55/1428061355.db2.gz URKHAAUGZKHVHL-UHFFFAOYSA-N 0 0 398.850 3.277 20 30 GGEDRN N#CCSc1cccc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)c1 ZINC000176063475 1428061705 /nfs/dbraw/zinc/06/17/05/1428061705.db2.gz JVLQFMZRGFNYDF-UHFFFAOYSA-N 0 0 378.457 3.406 20 30 GGEDRN O=C(NCCNc1nccc(C(F)(F)F)n1)c1cccc(C(F)(F)F)c1F ZINC000176064065 1428062172 /nfs/dbraw/zinc/06/21/72/1428062172.db2.gz NZZCQKRGJBPRDG-UHFFFAOYSA-N 0 0 396.266 3.495 20 30 GGEDRN CN(CCN1CCN(c2ccccc2)CC1)C(=O)c1cccc(SCC#N)c1 ZINC000176064760 1428062427 /nfs/dbraw/zinc/06/24/27/1428062427.db2.gz ARLZJZHLFIFOEQ-UHFFFAOYSA-N 0 0 394.544 3.196 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000176067173 1428064997 /nfs/dbraw/zinc/06/49/97/1428064997.db2.gz XWBGVQPGOKYZOB-MAUKXSAKSA-N 0 0 377.444 3.300 20 30 GGEDRN Cc1ccc(S(=O)(=O)N(CCC(=O)O[C@H](C#N)C2CC2)c2ccccc2)cc1 ZINC000176068791 1428065718 /nfs/dbraw/zinc/06/57/18/1428065718.db2.gz LWMIUROQIDLUPQ-HXUWFJFHSA-N 0 0 398.484 3.426 20 30 GGEDRN Cc1ccc(S(=O)(=O)N(CCC(=O)O[C@@H](C#N)C2CC2)c2ccccc2)cc1 ZINC000176068766 1428065735 /nfs/dbraw/zinc/06/57/35/1428065735.db2.gz LWMIUROQIDLUPQ-FQEVSTJZSA-N 0 0 398.484 3.426 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)N[C@@H](C)CC3CC3)c(C#N)c2N)cc1 ZINC000176074433 1428069206 /nfs/dbraw/zinc/06/92/06/1428069206.db2.gz BOAACMCADHIOQK-HNNXBMFYSA-N 0 0 380.496 3.055 20 30 GGEDRN CN(C)C(=O)C1(CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000176075888 1428069805 /nfs/dbraw/zinc/06/98/05/1428069805.db2.gz OSOLZDBINPXPRM-UHFFFAOYSA-N 0 0 395.425 3.005 20 30 GGEDRN N#CCOc1ccc(C=CC(=O)N2CCOC[C@H]2CC(=O)c2cccs2)cc1 ZINC000176075664 1428069838 /nfs/dbraw/zinc/06/98/38/1428069838.db2.gz KODQNZGVEYMWPY-ZGRWHYIRSA-N 0 0 396.468 3.164 20 30 GGEDRN Cc1cc(N2CCC(NC(=O)c3cccc(SCC#N)c3)CC2)nc(C)n1 ZINC000176082207 1428072411 /nfs/dbraw/zinc/07/24/11/1428072411.db2.gz ZTUDBKWGPYTMSM-UHFFFAOYSA-N 0 0 381.505 3.108 20 30 GGEDRN N#C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000176084739 1428073612 /nfs/dbraw/zinc/07/36/12/1428073612.db2.gz CYMJPSBVMGWXBV-QGZVFWFLSA-N 0 0 392.383 3.225 20 30 GGEDRN Cc1ccc(N2CCC[C@@H](NC(=O)N(C)Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000176087989 1428075917 /nfs/dbraw/zinc/07/59/17/1428075917.db2.gz LEXFDVQJRLLYNG-HXUWFJFHSA-N 0 0 376.460 3.204 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000176099802 1428081903 /nfs/dbraw/zinc/08/19/03/1428081903.db2.gz SSSYIAGRTJYRJU-UHFFFAOYSA-N 0 0 396.838 3.291 20 30 GGEDRN Cc1cc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccccn2)ccc1Br ZINC000176101014 1428082874 /nfs/dbraw/zinc/08/28/74/1428082874.db2.gz MMWZXLLQOMSNHM-CQSZACIVSA-N 0 0 386.249 3.433 20 30 GGEDRN CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c2ccccc21 ZINC000176105138 1428084749 /nfs/dbraw/zinc/08/47/49/1428084749.db2.gz QTPISXVGNGGFLV-OAHLLOKOSA-N 0 0 382.464 3.246 20 30 GGEDRN CN(c1ccccc1)C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000176108853 1428087768 /nfs/dbraw/zinc/08/77/68/1428087768.db2.gz HTDGVQCCMSFHQZ-UHFFFAOYSA-N 0 0 396.878 3.278 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000176121490 1428096124 /nfs/dbraw/zinc/09/61/24/1428096124.db2.gz IREIXSDQEUQOOO-LLVKDONJSA-N 0 0 392.789 3.446 20 30 GGEDRN C=CCn1c(C)cc(C(=O)CN2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c1C ZINC000176129732 1428103704 /nfs/dbraw/zinc/10/37/04/1428103704.db2.gz HGETUIQOBXCVRW-LJQANCHMSA-N 0 0 384.476 3.040 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)c1 ZINC000176131766 1428105518 /nfs/dbraw/zinc/10/55/18/1428105518.db2.gz UUAZTOIKBBQTLO-UHFFFAOYSA-N 0 0 399.394 3.324 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000176135912 1428109043 /nfs/dbraw/zinc/10/90/43/1428109043.db2.gz CUCKTVHPZFZBCF-DYESRHJHSA-N 0 0 388.471 3.450 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000176135930 1428110259 /nfs/dbraw/zinc/11/02/59/1428110259.db2.gz CUCKTVHPZFZBCF-LAUBAEHRSA-N 0 0 388.471 3.450 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000176139912 1428113222 /nfs/dbraw/zinc/11/32/22/1428113222.db2.gz BRBXJHCILXBEAC-MOPGFXCFSA-N 0 0 382.464 3.077 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000176139925 1428113401 /nfs/dbraw/zinc/11/34/01/1428113401.db2.gz BRBXJHCILXBEAC-OALUTQOASA-N 0 0 382.464 3.077 20 30 GGEDRN COc1cc(/C=C/C(=O)N2CCC[C@H]2[C@@H]2CCCCC2=O)ccc1OCC#N ZINC000176149233 1428118870 /nfs/dbraw/zinc/11/88/70/1428118870.db2.gz IASWPMNTDBVHND-HNDWKTGHSA-N 0 0 382.460 3.361 20 30 GGEDRN COc1cc(NC2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000176152136 1428121851 /nfs/dbraw/zinc/12/18/51/1428121851.db2.gz UDHCMHATWJEFPH-UHFFFAOYSA-N 0 0 379.460 3.221 20 30 GGEDRN N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000176152948 1428123113 /nfs/dbraw/zinc/12/31/13/1428123113.db2.gz AOXDVQQFFVKBOA-DOTOQJQBSA-N 0 0 397.504 3.127 20 30 GGEDRN CN(Cc1nccs1)C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000176160729 1428127579 /nfs/dbraw/zinc/12/75/79/1428127579.db2.gz SYFVMTIMXINRES-UHFFFAOYSA-N 0 0 375.453 3.140 20 30 GGEDRN COc1ccc([C@H](O)CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000176164019 1428130548 /nfs/dbraw/zinc/13/05/48/1428130548.db2.gz ZZVYFBHTWJIHQY-GOSISDBHSA-N 0 0 392.377 3.098 20 30 GGEDRN Cc1noc([C@@H]2CCCN(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000176164779 1428131449 /nfs/dbraw/zinc/13/14/49/1428131449.db2.gz KSHWEOKZWMMJGX-OAHLLOKOSA-N 0 0 392.381 3.338 20 30 GGEDRN Cc1ccccc1[C@@H](O)CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000176164632 1428131638 /nfs/dbraw/zinc/13/16/38/1428131638.db2.gz YGFNBYBJRHWMGU-SFHVURJKSA-N 0 0 376.378 3.398 20 30 GGEDRN C[C@](O)(CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000176164375 1428131710 /nfs/dbraw/zinc/13/17/10/1428131710.db2.gz MHBMHZNQHBOFHZ-KRWDZBQOSA-N 0 0 382.407 3.325 20 30 GGEDRN CN(Cc1nccn1C(F)F)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000176165764 1428132553 /nfs/dbraw/zinc/13/25/53/1428132553.db2.gz SHIBXGACOWDXFO-UHFFFAOYSA-N 0 0 386.324 3.490 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000176181342 1428145704 /nfs/dbraw/zinc/14/57/04/1428145704.db2.gz SUZMFGGJHUEVTK-GTJPDFRWSA-N 0 0 381.451 3.375 20 30 GGEDRN CC1=C(C(=O)N(C)C)[C@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(F)c1 ZINC000176188168 1428151023 /nfs/dbraw/zinc/15/10/23/1428151023.db2.gz VJJNWMZNBITDBO-IBGZPJMESA-N 0 0 394.475 3.495 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000176190225 1428153690 /nfs/dbraw/zinc/15/36/90/1428153690.db2.gz YDZVYUMSQXUXNV-OLZOCXBDSA-N 0 0 392.864 3.183 20 30 GGEDRN Cc1cc(NC(=O)CSCc2ccc(C#N)cc2)n(-c2ccc(C)nn2)n1 ZINC000176192226 1428155559 /nfs/dbraw/zinc/15/55/59/1428155559.db2.gz FUIJLZIRWJUULI-UHFFFAOYSA-N 0 0 378.461 3.023 20 30 GGEDRN N#Cc1cccc(OCCCCC(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)c1 ZINC000176198823 1428160302 /nfs/dbraw/zinc/16/03/02/1428160302.db2.gz ODDKZEJNFKJLSY-LJQANCHMSA-N 0 0 399.878 3.494 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)CCN2CCC(OCc3ccccc3)CC2)cc1 ZINC000176200221 1428162346 /nfs/dbraw/zinc/16/23/46/1428162346.db2.gz SBMHCYIQRLCQLE-UHFFFAOYSA-N 0 0 384.501 3.013 20 30 GGEDRN CN(CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1OC(F)(F)F ZINC000176202652 1428164639 /nfs/dbraw/zinc/16/46/39/1428164639.db2.gz QNWUNHXUTDBZRO-UHFFFAOYSA-N 0 0 398.406 3.363 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)CCN(Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000176216125 1428172869 /nfs/dbraw/zinc/17/28/69/1428172869.db2.gz ILEIQYNZMWWZQY-FQEVSTJZSA-N 0 0 384.501 3.013 20 30 GGEDRN N#Cc1ccc(C(=O)NCC(=O)Nc2cc(CCc3ccccc3)ccn2)cc1 ZINC000176218785 1428173783 /nfs/dbraw/zinc/17/37/83/1428173783.db2.gz JOLDZVKDBCRZCQ-UHFFFAOYSA-N 0 0 384.439 3.107 20 30 GGEDRN C#Cc1cccc(N(C)C(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)c1 ZINC000176218986 1428173974 /nfs/dbraw/zinc/17/39/74/1428173974.db2.gz TYFNEVGLVTZSMA-UHFFFAOYSA-N 0 0 392.484 3.277 20 30 GGEDRN NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)C#Cc2ccccc2)c1 ZINC000176225599 1428177578 /nfs/dbraw/zinc/17/75/78/1428177578.db2.gz XTOYPHIYLVCBJC-UHFFFAOYSA-N 0 0 383.451 3.169 20 30 GGEDRN CSc1ccc(Cl)c(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000176230445 1428180418 /nfs/dbraw/zinc/18/04/18/1428180418.db2.gz XOCQGVHPGPTDTO-LBPRGKRZSA-N 0 0 387.896 3.074 20 30 GGEDRN CSc1ccc(Cl)c(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000176230427 1428180545 /nfs/dbraw/zinc/18/05/45/1428180545.db2.gz XOCQGVHPGPTDTO-GFCCVEGCSA-N 0 0 387.896 3.074 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000176236903 1428184900 /nfs/dbraw/zinc/18/49/00/1428184900.db2.gz XQMJHYSIIAHTKD-UHFFFAOYSA-N 0 0 389.455 3.455 20 30 GGEDRN Cc1ccc([C@@H]2CSCCN2CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000176247694 1428193193 /nfs/dbraw/zinc/19/31/93/1428193193.db2.gz CLOZDMMOLBNDSF-FQEVSTJZSA-N 0 0 386.542 3.431 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735425667 1428196366 /nfs/dbraw/zinc/19/63/66/1428196366.db2.gz DKRDLJXHKPRABO-CABCVRRESA-N 0 0 396.520 3.182 20 30 GGEDRN CC(C)C1(CNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 ZINC000176261896 1428204604 /nfs/dbraw/zinc/20/46/04/1428204604.db2.gz IONMCYGOZVTRMO-XLNRJJMWSA-N 0 0 392.525 3.057 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000180175889 1429781859 /nfs/dbraw/zinc/78/18/59/1429781859.db2.gz ZRIYGQZWLDYIOP-WBVHZDCISA-N 0 0 398.818 3.298 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000180175919 1429781920 /nfs/dbraw/zinc/78/19/20/1429781920.db2.gz ZRIYGQZWLDYIOP-RDJZCZTQSA-N 0 0 398.818 3.298 20 30 GGEDRN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000180175949 1429782591 /nfs/dbraw/zinc/78/25/91/1429782591.db2.gz XKYGCSKPCMNUIB-UHFFFAOYSA-N 0 0 391.880 3.494 20 30 GGEDRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)OCC(C)(C)C#N)c2)C1 ZINC000180177278 1429783318 /nfs/dbraw/zinc/78/33/18/1429783318.db2.gz RIJRPNHYYKEKQG-GASCZTMLSA-N 0 0 378.494 3.060 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)OCC(C)(C)C#N ZINC000180178902 1429784795 /nfs/dbraw/zinc/78/47/95/1429784795.db2.gz CRQXBHSXWBYDOZ-HNNXBMFYSA-N 0 0 378.494 3.265 20 30 GGEDRN CC(C)(C#N)COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000180184446 1429789599 /nfs/dbraw/zinc/78/95/99/1429789599.db2.gz UCZPSPRJWJYVTF-UHFFFAOYSA-N 0 0 376.409 3.333 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(Cl)c1 ZINC000180186087 1429789994 /nfs/dbraw/zinc/78/99/94/1429789994.db2.gz 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RLXQICKKZLNPBA-UHFFFAOYSA-N 0 0 377.303 3.029 20 30 GGEDRN CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1 ZINC000181451507 1430302704 /nfs/dbraw/zinc/30/27/04/1430302704.db2.gz VDXOERRCJODCJO-AWEZNQCLSA-N 0 0 397.479 3.113 20 30 GGEDRN C=CCn1c(C)nn(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1=S ZINC000181463602 1430305084 /nfs/dbraw/zinc/30/50/84/1430305084.db2.gz PZYOMLHGWRNRKC-CYBMUJFWSA-N 0 0 386.447 3.418 20 30 GGEDRN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000181463707 1430305149 /nfs/dbraw/zinc/30/51/49/1430305149.db2.gz HRICPQZFJYPTDY-HNNXBMFYSA-N 0 0 383.452 3.006 20 30 GGEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)CCc2ccncc2)c1C#N ZINC000181469305 1430306306 /nfs/dbraw/zinc/30/63/06/1430306306.db2.gz MAFWGYIVXPYIAX-UHFFFAOYSA-N 0 0 387.487 3.474 20 30 GGEDRN N#CCOc1cccc(CC(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000181481553 1430307962 /nfs/dbraw/zinc/30/79/62/1430307962.db2.gz CNKQSOZCVVBXCV-UHFFFAOYSA-N 0 0 392.381 3.210 20 30 GGEDRN O=C1c2cc(F)cc([N+](=O)[O-])c2OC/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000181480933 1430308108 /nfs/dbraw/zinc/30/81/08/1430308108.db2.gz FYDBKTZSROKLHH-NTEUORMPSA-N 0 0 384.363 3.229 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCc2csc3ccccc23)n1 ZINC000181500752 1430311421 /nfs/dbraw/zinc/31/14/21/1430311421.db2.gz IYLDHNXYZVYSBS-UHFFFAOYSA-N 0 0 395.488 3.022 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)Cc2csc3ccccc23)n1 ZINC000181505563 1430311904 /nfs/dbraw/zinc/31/19/04/1430311904.db2.gz WCXCXSOQOCUYQS-UHFFFAOYSA-N 0 0 381.461 3.147 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N(Cc2ccco2)Cc2cccs2)n1 ZINC000181531452 1430315982 /nfs/dbraw/zinc/31/59/82/1430315982.db2.gz MQNCIJUAINUBGM-UHFFFAOYSA-N 0 0 397.460 3.158 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000181533917 1430316593 /nfs/dbraw/zinc/31/65/93/1430316593.db2.gz KCWSBCIGXSRWMH-UHFFFAOYSA-N 0 0 394.262 3.240 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C)nc1Br ZINC000181537914 1430317159 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CC(C)(C)C1CCC(C#N)(NC(=O)C[C@@H](NC(N)=O)c2cccs2)CC1 ZINC000183902327 1430810914 /nfs/dbraw/zinc/81/09/14/1430810914.db2.gz RDURYLSVLWZUJK-SHYRYGCCSA-N 0 0 376.526 3.462 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)COC ZINC000183903994 1430811236 /nfs/dbraw/zinc/81/12/36/1430811236.db2.gz UXUIRMIQDXDSAE-HOCLYGCPSA-N 0 0 387.509 3.053 20 30 GGEDRN CC(C)(C)C1CCC(C#N)(NC(=O)CNC(=O)c2ccc(F)cc2F)CC1 ZINC000183905152 1430811414 /nfs/dbraw/zinc/81/14/14/1430811414.db2.gz QOMKPTNGZCVNNI-UHFFFAOYSA-N 0 0 377.435 3.309 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)CCc1nc(-c2cc(Cl)c(OC)c(OC)c2)no1 ZINC000183911582 1430812343 /nfs/dbraw/zinc/81/23/43/1430812343.db2.gz MUEXUWCJTFKJHN-LBPRGKRZSA-N 0 0 392.843 3.148 20 30 GGEDRN Cc1csc([C@H](C)CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)n1 ZINC000183913571 1430812418 /nfs/dbraw/zinc/81/24/18/1430812418.db2.gz SKLHVRPABDJXPX-CYBMUJFWSA-N 0 0 387.484 3.098 20 30 GGEDRN C[C@H]1Sc2ccc(C(=O)N[C@]3(C#N)CCc4ccccc4C3)cc2NC1=O ZINC000183921361 1430813590 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20 30 GGEDRN Cc1cc(N(CCC#N)C(=O)COc2cccc(F)c2C(N)=O)ccc1Cl ZINC000183969530 1430820497 /nfs/dbraw/zinc/82/04/97/1430820497.db2.gz KJTXGBHBDZEJEJ-UHFFFAOYSA-N 0 0 389.814 3.212 20 30 GGEDRN COc1cc(/C=C/C(=O)N[C@]2(C#N)CCc3ccccc3C2)ccc1OCC#N ZINC000183981486 1430822858 /nfs/dbraw/zinc/82/28/58/1430822858.db2.gz XBGFJCYEQAZZIV-ISGGHPHESA-N 0 0 387.439 3.178 20 30 GGEDRN N#C[C@@]1(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)CCc2ccccc2C1 ZINC000183982854 1430823070 /nfs/dbraw/zinc/82/30/70/1430823070.db2.gz DXZBNZWTNWZMIY-FYYLOGMGSA-N 0 0 376.456 3.425 20 30 GGEDRN N#C[C@]1(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)CCc2ccccc2C1 ZINC000183982873 1430823149 /nfs/dbraw/zinc/82/31/49/1430823149.db2.gz DXZBNZWTNWZMIY-GGAORHGYSA-N 0 0 376.456 3.425 20 30 GGEDRN COC(=O)COc1c(C)cc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1C ZINC000183987957 1430824352 /nfs/dbraw/zinc/82/43/52/1430824352.db2.gz AMBMPBLCFWAPJH-QHCPKHFHSA-N 0 0 392.455 3.036 20 30 GGEDRN CSc1nc(C)c(CCC(=O)N[C@]2(C#N)CCc3ccccc3C2)c(C)n1 ZINC000183993884 1430825392 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DZFAFPYFQSCUJA-UHFFFAOYSA-N 0 0 381.388 3.321 20 30 GGEDRN Cc1nn(C(C)(C)C)cc1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000184465761 1430890844 /nfs/dbraw/zinc/89/08/44/1430890844.db2.gz XNWWKKIXYGDVTN-UHFFFAOYSA-N 0 0 381.480 3.333 20 30 GGEDRN CC(=O)Nc1cccnc1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000184481144 1430892713 /nfs/dbraw/zinc/89/27/13/1430892713.db2.gz CPIJTXSEMGATNF-UHFFFAOYSA-N 0 0 376.372 3.336 20 30 GGEDRN N#Cc1ccc(OCc2cccc(C(=O)NCc3ccc4[nH]c(=O)[nH]c4c3)c2)cc1 ZINC000184500555 1430895506 /nfs/dbraw/zinc/89/55/06/1430895506.db2.gz ROLMNWFVMFWUJV-UHFFFAOYSA-N 0 0 398.422 3.237 20 30 GGEDRN N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000184511343 1430896808 /nfs/dbraw/zinc/89/68/08/1430896808.db2.gz OSSMOEGXBQVPHP-UHFFFAOYSA-N 0 0 398.422 3.237 20 30 GGEDRN O=C(NCCC[C@H]1CCCCO1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000184528420 1430898958 /nfs/dbraw/zinc/89/89/58/1430898958.db2.gz FAGZUQFRXJGWOA-JOCHJYFZSA-N 0 0 390.483 3.490 20 30 GGEDRN 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ZINC000185168043 1431076128 /nfs/dbraw/zinc/07/61/28/1431076128.db2.gz VPBVLAGHYXDIAT-KRWDZBQOSA-N 0 0 380.492 3.300 20 30 GGEDRN CC(C)(C)OC(=O)NC[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000185203803 1431084301 /nfs/dbraw/zinc/08/43/01/1431084301.db2.gz YVYRQJKKTPRBAM-INIZCTEOSA-N 0 0 383.452 3.001 20 30 GGEDRN CN(C)C(=O)c1cc(F)ccc1NCC(=O)Nc1ccccc1SCC#N ZINC000185206256 1431084660 /nfs/dbraw/zinc/08/46/60/1431084660.db2.gz HMGYNYNUTIPRGP-UHFFFAOYSA-N 0 0 386.452 3.194 20 30 GGEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000185210483 1431085766 /nfs/dbraw/zinc/08/57/66/1431085766.db2.gz SYEMEDNNFNGNIN-CABCVRRESA-N 0 0 399.495 3.362 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000185214102 1431086517 /nfs/dbraw/zinc/08/65/17/1431086517.db2.gz QRXPPOOJJHNUDA-UHFFFAOYSA-N 0 0 388.811 3.486 20 30 GGEDRN CC1CCN(c2ccc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)cn2)CC1 ZINC000185258442 1431095452 /nfs/dbraw/zinc/09/54/52/1431095452.db2.gz VFPRRYFQPOLLKL-QGZVFWFLSA-N 0 0 378.480 3.126 20 30 GGEDRN CCC1(CC)CN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC[S@@]1=O ZINC000185260362 1431095744 /nfs/dbraw/zinc/09/57/44/1431095744.db2.gz QJKLOLNAJWVGQJ-NRRJATNASA-N 0 0 393.578 3.059 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)N1CCN([C@H](C)c2nccs2)CC1 ZINC000185264493 1431096602 /nfs/dbraw/zinc/09/66/02/1431096602.db2.gz RRTXAZJGSFOWOB-CQSZACIVSA-N 0 0 385.493 3.324 20 30 GGEDRN C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccc(Cl)cc2C#N)C1=O ZINC000185281818 1431099274 /nfs/dbraw/zinc/09/92/74/1431099274.db2.gz MDWQUHBAZGJZQF-SFHVURJKSA-N 0 0 375.762 3.457 20 30 GGEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC(F)(F)CO ZINC000185308283 1431108204 /nfs/dbraw/zinc/10/82/04/1431108204.db2.gz JQHHUQBJVQCZMH-UHFFFAOYSA-N 0 0 375.375 3.195 20 30 GGEDRN CC(C)CCN(CCC#N)S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000185321966 1431113567 /nfs/dbraw/zinc/11/35/67/1431113567.db2.gz YHOWKCBMFSDUCP-MRXNPFEDSA-N 0 0 398.500 3.191 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000185322710 1431113897 /nfs/dbraw/zinc/11/38/97/1431113897.db2.gz KFNXWJJSWCPRGV-UHFFFAOYSA-N 0 0 391.836 3.473 20 30 GGEDRN CC(C)(CO)[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000185328431 1431116733 /nfs/dbraw/zinc/11/67/33/1431116733.db2.gz BIEGWWXOHURQCT-MRXNPFEDSA-N 0 0 392.908 3.292 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000185334184 1431117761 /nfs/dbraw/zinc/11/77/61/1431117761.db2.gz SAOUWASDJSRRGH-QFIPXVFZSA-N 0 0 399.450 3.246 20 30 GGEDRN Cc1cnc([C@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C2CC2)s1 ZINC000185350050 1431122631 /nfs/dbraw/zinc/12/26/31/1431122631.db2.gz SMGBVLDHIFCNIC-GOSISDBHSA-N 0 0 392.488 3.188 20 30 GGEDRN C#CCC(C)(C)COC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C ZINC000185350213 1431122701 /nfs/dbraw/zinc/12/27/01/1431122701.db2.gz PBASTJOXWBGYGC-UHFFFAOYSA-N 0 0 382.386 3.285 20 30 GGEDRN CCN(C[C@H]1CCN(C(=O)NCc2ccc(OCC#N)cc2)C1)CC(F)(F)F ZINC000185351165 1431123533 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COC(=O)[C@@H](N[C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000185426256 1431142789 /nfs/dbraw/zinc/14/27/89/1431142789.db2.gz ACIDEPIFBSFCHV-UXHICEINSA-N 0 0 378.407 3.024 20 30 GGEDRN COC(=O)[C@@H](N[C@H](c1cnn(C)c1)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000185426276 1431142929 /nfs/dbraw/zinc/14/29/29/1431142929.db2.gz ACIDEPIFBSFCHV-PMACEKPBSA-N 0 0 378.407 3.024 20 30 GGEDRN Cc1oc(NC(=O)[C@H](C)N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)c(C#N)c1C ZINC000185432193 1431144729 /nfs/dbraw/zinc/14/47/29/1431144729.db2.gz HIMYVRPIMZBHKJ-ORAYPTAESA-N 0 0 395.438 3.347 20 30 GGEDRN CC#CCCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000185435980 1431145518 /nfs/dbraw/zinc/14/55/18/1431145518.db2.gz TWIWUCJDNBMFNV-UHFFFAOYSA-N 0 0 383.370 3.456 20 30 GGEDRN C[C@H](c1ccsc1)N1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000185452975 1431148986 /nfs/dbraw/zinc/14/89/86/1431148986.db2.gz NWLOGRYKHBRHTM-GOSISDBHSA-N 0 0 382.533 3.374 20 30 GGEDRN C=C(C)[C@H](NC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000185455609 1431149429 /nfs/dbraw/zinc/14/94/29/1431149429.db2.gz MBLBGBIQGOLAMV-SFHVURJKSA-N 0 0 377.435 3.282 20 30 GGEDRN C=C(C)[C@@H](NC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000185455630 1431149601 /nfs/dbraw/zinc/14/96/01/1431149601.db2.gz MBLBGBIQGOLAMV-GOSISDBHSA-N 0 0 377.435 3.282 20 30 GGEDRN C=C(C)[C@@H](NC(=O)NCc1ccccc1OCCO)c1ccc(F)c(F)c1 ZINC000185458322 1431149823 /nfs/dbraw/zinc/14/98/23/1431149823.db2.gz DGVGHIKIWABENB-LJQANCHMSA-N 0 0 376.403 3.453 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000185465169 1431151632 /nfs/dbraw/zinc/15/16/32/1431151632.db2.gz YQUVVOTZMANKKM-IBGZPJMESA-N 0 0 388.876 3.074 20 30 GGEDRN Cc1noc(-c2ccccc2)c1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000185468950 1431152035 /nfs/dbraw/zinc/15/20/35/1431152035.db2.gz JGIQMOQLAKDUBO-UHFFFAOYSA-N 0 0 388.431 3.271 20 30 GGEDRN C=C(C)[C@@H](NC(=O)N1CCCN(C(=O)C(C)C)CC1)c1ccc(F)c(F)c1 ZINC000185472748 1431152762 /nfs/dbraw/zinc/15/27/62/1431152762.db2.gz MMNDNOOZXYKOEW-GOSISDBHSA-N 0 0 379.451 3.482 20 30 GGEDRN C=C(C)[C@@H](NC(=O)NC1CCC(S(C)(=O)=O)CC1)c1ccc(F)c(F)c1 ZINC000185474856 1431153253 /nfs/dbraw/zinc/15/32/53/1431153253.db2.gz KXNMGYNRAFTYPU-MQBCKMQZSA-N 0 0 386.464 3.237 20 30 GGEDRN C=C(C)[C@H](NC(=O)NC1CCC(S(C)(=O)=O)CC1)c1ccc(F)c(F)c1 ZINC000185474840 1431153477 /nfs/dbraw/zinc/15/34/77/1431153477.db2.gz KXNMGYNRAFTYPU-KVULBXGLSA-N 0 0 386.464 3.237 20 30 GGEDRN C=C(C)[C@@H](NC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(F)c(F)c1 ZINC000185476875 1431153873 /nfs/dbraw/zinc/15/38/73/1431153873.db2.gz MISWMLBTOYIMON-GOSISDBHSA-N 0 0 389.402 3.343 20 30 GGEDRN C=C(C)[C@@H](NC(=O)N(CC)[C@H](C)CS(=O)(=O)CC)c1ccc(F)c(F)c1 ZINC000185478723 1431154089 /nfs/dbraw/zinc/15/40/89/1431154089.db2.gz HLQUSXGNOFSWLR-CXAGYDPISA-N 0 0 388.480 3.437 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000185479655 1431154308 /nfs/dbraw/zinc/15/43/08/1431154308.db2.gz CGBJENOBMDOLSW-UHFFFAOYSA-N 0 0 388.464 3.349 20 30 GGEDRN C=CCn1c(S[C@H](Cc2ccc(Cl)cc2)C(N)=O)nc2ccccc2c1=O ZINC000185485294 1431154972 /nfs/dbraw/zinc/15/49/72/1431154972.db2.gz KTNSUNZQHLRKFN-QGZVFWFLSA-N 0 0 399.903 3.425 20 30 GGEDRN C#CCC(C)(C)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000185485080 1431155089 /nfs/dbraw/zinc/15/50/89/1431155089.db2.gz CFYHVCHRWKNIKE-UHFFFAOYSA-N 0 0 376.504 3.392 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N(C)CCCOc1ccc(Cl)cc1 ZINC000185490280 1431156315 /nfs/dbraw/zinc/15/63/15/1431156315.db2.gz TUZWWYWULGZZIX-UHFFFAOYSA-N 0 0 394.880 3.310 20 30 GGEDRN COCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1OC ZINC000185496591 1431157790 /nfs/dbraw/zinc/15/77/90/1431157790.db2.gz CUDIRJHPFYURSN-UHFFFAOYSA-N 0 0 388.489 3.184 20 30 GGEDRN C[C@H](c1ccsc1)N1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000185497612 1431158115 /nfs/dbraw/zinc/15/81/15/1431158115.db2.gz GNWDBMDFUHMWRC-UZLBHIALSA-N 0 0 380.517 3.104 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000185497014 1431158152 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N#CCCCOc1cccnc1NC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000186451728 1431423253 /nfs/dbraw/zinc/42/32/53/1431423253.db2.gz PZRJCTDLEVXFME-KRWDZBQOSA-N 0 0 379.464 3.412 20 30 GGEDRN N#Cc1csc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1 ZINC000186473414 1431429825 /nfs/dbraw/zinc/42/98/25/1431429825.db2.gz CGXLKCFYVRJZOG-ZDUSSCGKSA-N 0 0 393.390 3.169 20 30 GGEDRN C=C(C)COCCNC(=O)NC(C)(C)COc1ncccc1C(F)(F)F ZINC000186477528 1431430750 /nfs/dbraw/zinc/43/07/50/1431430750.db2.gz IARBKGIKODRNSA-UHFFFAOYSA-N 0 0 375.391 3.150 20 30 GGEDRN N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@]23CCOC3=O)cc1 ZINC000186484619 1431432818 /nfs/dbraw/zinc/43/28/18/1431432818.db2.gz IPOXDECOYWENEF-JOCHJYFZSA-N 0 0 376.412 3.059 20 30 GGEDRN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186492494 1431435601 /nfs/dbraw/zinc/43/56/01/1431435601.db2.gz HBEAIOCJUQQHNF-LJQANCHMSA-N 0 0 386.398 3.034 20 30 GGEDRN COc1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3C#N)CC2)cc1OC ZINC000186496718 1431436794 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CC(=O)Nc1ccc(NC(=O)Nc2ccn(CCC#N)n2)c(C(F)(F)F)c1 ZINC000186540052 1431449668 /nfs/dbraw/zinc/44/96/68/1431449668.db2.gz KADWIELMRFLRLW-UHFFFAOYSA-N 0 0 380.330 3.418 20 30 GGEDRN C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(NC(=O)OC)cc1 ZINC000186599675 1431464652 /nfs/dbraw/zinc/46/46/52/1431464652.db2.gz CZSINGCQBMDBKO-UHFFFAOYSA-N 0 0 378.425 3.381 20 30 GGEDRN COc1ccc(OC)c(-n2nnnc2SCc2ccc(Cl)cc2C#N)c1 ZINC000186605087 1431467063 /nfs/dbraw/zinc/46/70/63/1431467063.db2.gz ZFKXWVCQDCFFFX-UHFFFAOYSA-N 0 0 387.852 3.497 20 30 GGEDRN N#Cc1c(F)cccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000186607203 1431467539 /nfs/dbraw/zinc/46/75/39/1431467539.db2.gz GNQCXOYQJGXZHQ-IBGZPJMESA-N 0 0 387.842 3.154 20 30 GGEDRN N#C[C@@]1(NS(=O)(=O)C2=Cc3ccccc3OCC2)CCc2ccccc2C1 ZINC000186615619 1431469716 /nfs/dbraw/zinc/46/97/16/1431469716.db2.gz GBUUTCFGOSCOLX-OAQYLSRUSA-N 0 0 380.469 3.181 20 30 GGEDRN N#C[C@]1(NS(=O)(=O)C2=Cc3ccccc3OCC2)CCc2ccccc2C1 ZINC000186615637 1431469814 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GGEDRN N#Cc1c(F)cccc1C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000189005431 1432025747 /nfs/dbraw/zinc/02/57/47/1432025747.db2.gz CGQSKRSXVKBBBD-INIZCTEOSA-N 0 0 375.762 3.025 20 30 GGEDRN CC(=O)C1=C(c2ccc(F)cc2)N(C)C(=S)N[C@H]1c1cn(C(C)(C)C)nn1 ZINC000189007294 1432025940 /nfs/dbraw/zinc/02/59/40/1432025940.db2.gz PJYILVLKABHXGZ-INIZCTEOSA-N 0 0 387.484 3.034 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000189007821 1432025960 /nfs/dbraw/zinc/02/59/60/1432025960.db2.gz GPEDFQHYFWDMOG-OAHLLOKOSA-N 0 0 393.365 3.325 20 30 GGEDRN CCS(=O)(=O)Nc1ccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000189009216 1432026250 /nfs/dbraw/zinc/02/62/50/1432026250.db2.gz DCPQPQFNJIVSME-UHFFFAOYSA-N 0 0 396.390 3.457 20 30 GGEDRN C=CCCOCCNC(=O)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000189011124 1432026651 /nfs/dbraw/zinc/02/66/51/1432026651.db2.gz XREDEYDLMIEMJX-UHFFFAOYSA-N 0 0 380.872 3.309 20 30 GGEDRN N#C[C@@H]1CN(C(=O)c2cc(O)ccc2C(F)(F)F)CCN1Cc1ccccc1 ZINC000189017257 1432027263 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GGEDRN COCCCN(CCO)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000189048110 1432034360 /nfs/dbraw/zinc/03/43/60/1432034360.db2.gz IXNPDTVSZVQQBK-UHFFFAOYSA-N 0 0 388.851 3.475 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CCCO[C@@H]3C(C)(C)C)CC2)o1 ZINC000189055871 1432035824 /nfs/dbraw/zinc/03/58/24/1432035824.db2.gz IGLVKSTUMWSLMV-AEFFLSMTSA-N 0 0 388.512 3.029 20 30 GGEDRN C=C(C)CN(C)C(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000189074741 1432040097 /nfs/dbraw/zinc/04/00/97/1432040097.db2.gz GJDXHRBIDZAMRX-HNNXBMFYSA-N 0 0 380.872 3.261 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000189109406 1432046561 /nfs/dbraw/zinc/04/65/61/1432046561.db2.gz HPNPSQIGNNLBID-OAHLLOKOSA-N 0 0 383.423 3.351 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000189109380 1432046607 /nfs/dbraw/zinc/04/66/07/1432046607.db2.gz HPNPSQIGNNLBID-HNNXBMFYSA-N 0 0 383.423 3.351 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000189112545 1432046997 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3.437 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000189120932 1432048252 /nfs/dbraw/zinc/04/82/52/1432048252.db2.gz GZANHCXPZFGYGW-HNNXBMFYSA-N 0 0 392.459 3.194 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1 ZINC000189120104 1432048270 /nfs/dbraw/zinc/04/82/70/1432048270.db2.gz BPZCWNYTRACROC-MRXNPFEDSA-N 0 0 395.507 3.425 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000189121434 1432048335 /nfs/dbraw/zinc/04/83/35/1432048335.db2.gz PORZIXNSLUXDEQ-KRWDZBQOSA-N 0 0 379.460 3.350 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 ZINC000189121292 1432048449 /nfs/dbraw/zinc/04/84/49/1432048449.db2.gz AEVWYJHNOYYKDF-HNNXBMFYSA-N 0 0 380.448 3.437 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000189120954 1432048619 /nfs/dbraw/zinc/04/86/19/1432048619.db2.gz GZANHCXPZFGYGW-OAHLLOKOSA-N 0 0 392.459 3.194 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000189123531 1432049082 /nfs/dbraw/zinc/04/90/82/1432049082.db2.gz ATIBAVDPFHJHBP-OAHLLOKOSA-N 0 0 376.416 3.297 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000189127327 1432049138 /nfs/dbraw/zinc/04/91/38/1432049138.db2.gz VKSGAVHEPVOZSS-CYBMUJFWSA-N 0 0 386.839 3.474 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000189129587 1432049827 /nfs/dbraw/zinc/04/98/27/1432049827.db2.gz BMTMIOXZOQTCHU-OAHLLOKOSA-N 0 0 377.444 3.235 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1 ZINC000189139751 1432051011 /nfs/dbraw/zinc/05/10/11/1432051011.db2.gz JIUORNGRBLOOQY-CQSZACIVSA-N 0 0 399.470 3.256 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1C ZINC000189146585 1432052387 /nfs/dbraw/zinc/05/23/87/1432052387.db2.gz BPAKVKQDWBBLLG-HNNXBMFYSA-N 0 0 398.507 3.004 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 ZINC000189152544 1432053281 /nfs/dbraw/zinc/05/32/81/1432053281.db2.gz UHYROEWZQGLOJA-INIZCTEOSA-N 0 0 398.507 3.038 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C ZINC000189154168 1432053853 /nfs/dbraw/zinc/05/38/53/1432053853.db2.gz IBGYUMSBASTGSV-OAHLLOKOSA-N 0 0 395.507 3.425 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1 ZINC000189154213 1432053902 /nfs/dbraw/zinc/05/39/02/1432053902.db2.gz LMPNBSUNTFFHIQ-MRXNPFEDSA-N 0 0 395.507 3.425 20 30 GGEDRN COC(=O)C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccc(C(F)(F)F)cc1 ZINC000189180218 1432059250 /nfs/dbraw/zinc/05/92/50/1432059250.db2.gz KUWVVJAAWUSRDX-OAHLLOKOSA-N 0 0 392.333 3.317 20 30 GGEDRN C=CC[C@H](OC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccccc1 ZINC000189206540 1432063318 /nfs/dbraw/zinc/06/33/18/1432063318.db2.gz DGOJCRSVPAIUMP-WMZHIEFXSA-N 0 0 390.439 3.241 20 30 GGEDRN N#Cc1c(F)cccc1C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000189206387 1432063378 /nfs/dbraw/zinc/06/33/78/1432063378.db2.gz BOZQQJGWLFFQPJ-UHFFFAOYSA-N 0 0 379.435 3.005 20 30 GGEDRN CC(C)(C)OC(=O)NCCc1nc(C(=O)N[C@H](C#N)C2CCCCC2)cs1 ZINC000189213588 1432064391 /nfs/dbraw/zinc/06/43/91/1432064391.db2.gz ADKMWKARFAVORN-CQSZACIVSA-N 0 0 392.525 3.413 20 30 GGEDRN CCO[C@@H]1C[C@@H](NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1(CC)CC ZINC000189222765 1432065995 /nfs/dbraw/zinc/06/59/95/1432065995.db2.gz AXXJYGKCNVSQEN-QZTJIDSGSA-N 0 0 388.512 3.171 20 30 GGEDRN Cc1conc1NC(=O)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000189222978 1432066225 /nfs/dbraw/zinc/06/62/25/1432066225.db2.gz FRCLHTSWSSJOIN-UHFFFAOYSA-N 0 0 392.390 3.161 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc4c(c3)C(=O)CCC4)CC2)o1 ZINC000189224919 1432066352 /nfs/dbraw/zinc/06/63/52/1432066352.db2.gz OBDLNZSOOSLMMP-UHFFFAOYSA-N 0 0 378.432 3.229 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(CCCC)cc2)c1 ZINC000189225297 1432066432 /nfs/dbraw/zinc/06/64/32/1432066432.db2.gz SEQBWEFNGPTFCO-UHFFFAOYSA-N 0 0 391.471 3.046 20 30 GGEDRN CCc1ccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(O)c1 ZINC000189225278 1432066741 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Cc1nc(C#N)c(N2CCC(C(=O)N(Cc3cccc(O)c3)CC3CC3)CC2)o1 ZINC000189282883 1432078080 /nfs/dbraw/zinc/07/80/80/1432078080.db2.gz KIMPPAFGCIHXCE-UHFFFAOYSA-N 0 0 394.475 3.216 20 30 GGEDRN C[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000189286985 1432078792 /nfs/dbraw/zinc/07/87/92/1432078792.db2.gz NRBGLZWTTFLLEX-ZDUSSCGKSA-N 0 0 389.377 3.227 20 30 GGEDRN CC[C@H](C)Oc1ccc(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 ZINC000189305033 1432082416 /nfs/dbraw/zinc/08/24/16/1432082416.db2.gz KKMAHEZCTRKMRP-ZDUSSCGKSA-N 0 0 383.452 3.264 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)NCC(C)(C)c3ccccc3F)CC2)o1 ZINC000189308883 1432083299 /nfs/dbraw/zinc/08/32/99/1432083299.db2.gz YQIJLSRLMDMGCH-UHFFFAOYSA-N 0 0 384.455 3.304 20 30 GGEDRN CCN(Cc1c(F)cccc1F)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000189312929 1432084096 /nfs/dbraw/zinc/08/40/96/1432084096.db2.gz XWOUQIVYSSZNSU-UHFFFAOYSA-N 0 0 388.418 3.398 20 30 GGEDRN N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CC[C@@H](Cc4ccccc4)C3)cc2)c1N ZINC000189329937 1432087452 /nfs/dbraw/zinc/08/74/52/1432087452.db2.gz PNSCONWBMRJWNN-PXNSSMCTSA-N 0 0 385.471 3.467 20 30 GGEDRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000189341490 1432089770 /nfs/dbraw/zinc/08/97/70/1432089770.db2.gz LRRSXQQLEZFJCI-LAUBAEHRSA-N 0 0 383.517 3.034 20 30 GGEDRN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cc(C#N)ccc1F ZINC000189341776 1432090044 /nfs/dbraw/zinc/09/00/44/1432090044.db2.gz FNLVEQYZYADWJK-OAHLLOKOSA-N 0 0 387.480 3.430 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000189342526 1432090510 /nfs/dbraw/zinc/09/05/10/1432090510.db2.gz KQVOQLZTEQNMQF-UHFFFAOYSA-N 0 0 381.407 3.015 20 30 GGEDRN C[C@H](C(=O)NC1(C#N)CCCCC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000189348266 1432090827 /nfs/dbraw/zinc/09/08/27/1432090827.db2.gz TUFVEHTUWUOFBE-GFCCVEGCSA-N 0 0 388.411 3.210 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@@H](C)c3sc(C)nc3C)CC2)o1 ZINC000189355647 1432092577 /nfs/dbraw/zinc/09/25/77/1432092577.db2.gz AQSJQXNFGONVKP-LBPRGKRZSA-N 0 0 387.509 3.364 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)c3c[nH]nc3-c3ccsc3)CC2)c(F)c1 ZINC000189385971 1432097135 /nfs/dbraw/zinc/09/71/35/1432097135.db2.gz FVDDTYKXVCDGHR-UHFFFAOYSA-N 0 0 381.436 3.111 20 30 GGEDRN CCC(CC)c1cc(CNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)on1 ZINC000189436284 1432110698 /nfs/dbraw/zinc/11/06/98/1432110698.db2.gz LXYZFAUMPLTHJX-UHFFFAOYSA-N 0 0 385.468 3.279 20 30 GGEDRN CC(C)OCc1ccc(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 ZINC000189441925 1432113032 /nfs/dbraw/zinc/11/30/32/1432113032.db2.gz NARFJBITPLBYIX-UHFFFAOYSA-N 0 0 383.452 3.012 20 30 GGEDRN CC(=O)N1CCN(Cc2ccccc2NCc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000189443237 1432113567 /nfs/dbraw/zinc/11/35/67/1432113567.db2.gz OFZATIZHHOFUDV-GOSISDBHSA-N 0 0 392.503 3.254 20 30 GGEDRN C#CCCOc1ccc(CNc2ccccc2CN2CCN(C(C)=O)CC2)cc1 ZINC000189444785 1432113884 /nfs/dbraw/zinc/11/38/84/1432113884.db2.gz HNOSSRCWPNMMKD-UHFFFAOYSA-N 0 0 391.515 3.365 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](C)Sc3ccccc3)CC2)o1 ZINC000189446808 1432114386 /nfs/dbraw/zinc/11/43/86/1432114386.db2.gz YKSPJHSUQIKAOI-AWEZNQCLSA-N 0 0 384.505 3.368 20 30 GGEDRN CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C[C@@H](O)C(F)(F)F ZINC000189461533 1432120156 /nfs/dbraw/zinc/12/01/56/1432120156.db2.gz VLJVXAFEAXRASI-SWLSCSKDSA-N 0 0 389.443 3.122 20 30 GGEDRN N#Cc1cccnc1-n1cc(NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cn1 ZINC000189467509 1432122728 /nfs/dbraw/zinc/12/27/28/1432122728.db2.gz SHISDWZWXRDABH-HKUYNNGSSA-N 0 0 388.431 3.038 20 30 GGEDRN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000189474126 1432125713 /nfs/dbraw/zinc/12/57/13/1432125713.db2.gz XAODVZXAZTVKEV-NRFANRHFSA-N 0 0 399.878 3.340 20 30 GGEDRN CC(=O)N1CCN(c2cccc(NCc3ccc(O[C@@H](C)C#N)cc3)c2)CC1 ZINC000189479114 1432127984 /nfs/dbraw/zinc/12/79/84/1432127984.db2.gz DLTMEGCTARCOCZ-KRWDZBQOSA-N 0 0 378.476 3.258 20 30 GGEDRN Cc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(Oc3ccccc3)c(C#N)c1)CC2 ZINC000189481938 1432130195 /nfs/dbraw/zinc/13/01/95/1432130195.db2.gz LWIHHQKLPPSEKB-KRWDZBQOSA-N 0 0 388.431 3.387 20 30 GGEDRN CC(=O)N1CCN(Cc2cccc(NCc3ccc(O[C@@H](C)C#N)cc3)c2)CC1 ZINC000189509614 1432141464 /nfs/dbraw/zinc/14/14/64/1432141464.db2.gz YHDNERRUVDNKTP-SFHVURJKSA-N 0 0 392.503 3.254 20 30 GGEDRN C#CCCOc1ccc(CNc2cccc(CN3CCN(C(C)=O)CC3)c2)cc1 ZINC000189513232 1432143252 /nfs/dbraw/zinc/14/32/52/1432143252.db2.gz SQELLOODPOHHHK-UHFFFAOYSA-N 0 0 391.515 3.365 20 30 GGEDRN COCCO[C@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000189526385 1432148803 /nfs/dbraw/zinc/14/88/03/1432148803.db2.gz DHLHZSWKZQLGJS-FQEVSTJZSA-N 0 0 380.444 3.015 20 30 GGEDRN N#Cc1cccc(OC2CCN(C(=O)C(=O)Nc3ccsc3Cl)CC2)c1 ZINC000189540764 1432154042 /nfs/dbraw/zinc/15/40/42/1432154042.db2.gz UDSJZJFPSITJAE-UHFFFAOYSA-N 0 0 389.864 3.282 20 30 GGEDRN N#Cc1ccc(-c2nnc(Cn3ccnc3[C@@H](O)c3ccc(F)cc3)o2)cc1 ZINC000189542945 1432154870 /nfs/dbraw/zinc/15/48/70/1432154870.db2.gz MCAOZXRMQUDVAH-SFHVURJKSA-N 0 0 375.363 3.074 20 30 GGEDRN N#Cc1ccc(-c2nnc(Cn3ccnc3[C@H](O)c3ccc(F)cc3)o2)cc1 ZINC000189542923 1432154940 /nfs/dbraw/zinc/15/49/40/1432154940.db2.gz MCAOZXRMQUDVAH-GOSISDBHSA-N 0 0 375.363 3.074 20 30 GGEDRN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000189568863 1432162103 /nfs/dbraw/zinc/16/21/03/1432162103.db2.gz MXAPHMZNPMJJQW-HNNXBMFYSA-N 0 0 382.382 3.183 20 30 GGEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC[C@@H]3CC[C@H](O)C3)c2)c1 ZINC000189573788 1432163444 /nfs/dbraw/zinc/16/34/44/1432163444.db2.gz BLNFWSUZVAIAFE-BEFAXECRSA-N 0 0 378.432 3.093 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N(c2cccc(N)c2)C2CCCC2)n1 ZINC000189575612 1432164311 /nfs/dbraw/zinc/16/43/11/1432164311.db2.gz QWDMKUINOLVHFM-UHFFFAOYSA-N 0 0 394.479 3.006 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N(C)[C@@H](COC)Cc2ccccc2)cc1 ZINC000189575664 1432164654 /nfs/dbraw/zinc/16/46/54/1432164654.db2.gz IXZCAQVQSKAFLS-HXUWFJFHSA-N 0 0 381.476 3.324 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000189579633 1432165267 /nfs/dbraw/zinc/16/52/67/1432165267.db2.gz LNZZHEAYOPFTPF-UHFFFAOYSA-N 0 0 387.436 3.016 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)N(c1cccc(N)c1)C1CCCC1 ZINC000189576735 1432165298 /nfs/dbraw/zinc/16/52/98/1432165298.db2.gz AEZCISOJOSJMPB-UHFFFAOYSA-N 0 0 377.444 3.195 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000189579602 1432165433 /nfs/dbraw/zinc/16/54/33/1432165433.db2.gz GKJQGIVSQLFIJR-UHFFFAOYSA-N 0 0 396.871 3.329 20 30 GGEDRN Cc1nc(N2CCOCC2)ccc1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000189581205 1432165955 /nfs/dbraw/zinc/16/59/55/1432165955.db2.gz RJNYXWWKVATWHO-UHFFFAOYSA-N 0 0 389.377 3.236 20 30 GGEDRN COc1ccccc1CN(CCO)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000189588051 1432168353 /nfs/dbraw/zinc/16/83/53/1432168353.db2.gz PUIDAOVRTKQYHU-UHFFFAOYSA-N 0 0 377.362 3.087 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)CNc1ccccc1 ZINC000189608251 1432175066 /nfs/dbraw/zinc/17/50/66/1432175066.db2.gz AYEFGIBJUWIXOU-HOTGVXAUSA-N 0 0 396.516 3.494 20 30 GGEDRN N#Cc1cnc2c(F)cc(F)cc2c1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000189650226 1432190330 /nfs/dbraw/zinc/19/03/30/1432190330.db2.gz XEQCCWKMTIKHAR-UHFFFAOYSA-N 0 0 394.381 3.053 20 30 GGEDRN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(C#N)cs1 ZINC000189683790 1432202521 /nfs/dbraw/zinc/20/25/21/1432202521.db2.gz VHVFLVHXQKVWNB-UHFFFAOYSA-N 0 0 382.363 3.454 20 30 GGEDRN C=C(C)CS(=O)(=O)N[C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000189683319 1432202917 /nfs/dbraw/zinc/20/29/17/1432202917.db2.gz DHHAUNSZLXVSIW-IBGZPJMESA-N 0 0 379.453 3.428 20 30 GGEDRN C[C@H](O)CN1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC000189684703 1432203611 /nfs/dbraw/zinc/20/36/11/1432203611.db2.gz RAIFIHYOMPYJGU-HNNXBMFYSA-N 0 0 399.878 3.143 20 30 GGEDRN C[C@H](C1CC1)n1cc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cn1 ZINC000189699599 1432208273 /nfs/dbraw/zinc/20/82/73/1432208273.db2.gz INJSWTHICDMVOO-CQSZACIVSA-N 0 0 382.443 3.219 20 30 GGEDRN CCOC(=O)[C@@](C)(CNC(=O)NCc1cc(C#N)ccc1F)c1ccccc1 ZINC000189704289 1432209319 /nfs/dbraw/zinc/20/93/19/1432209319.db2.gz RZIJDCNOUOHSRF-NRFANRHFSA-N 0 0 383.423 3.018 20 30 GGEDRN CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000189717378 1432212938 /nfs/dbraw/zinc/21/29/38/1432212938.db2.gz VXOPFUXQHVBIDS-HNNXBMFYSA-N 0 0 382.489 3.321 20 30 GGEDRN CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000189717432 1432213553 /nfs/dbraw/zinc/21/35/53/1432213553.db2.gz RGTOPFDQYPYBLF-OAHLLOKOSA-N 0 0 382.489 3.463 20 30 GGEDRN C[C@@H](C1CC1)n1cc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000189723734 1432215581 /nfs/dbraw/zinc/21/55/81/1432215581.db2.gz TWAYRJLFMKQLKW-KRWDZBQOSA-N 0 0 392.507 3.466 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000189759234 1432226237 /nfs/dbraw/zinc/22/62/37/1432226237.db2.gz IGVMPKDDMKPIRO-UHFFFAOYSA-N 0 0 391.471 3.261 20 30 GGEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CC[C@H](C)[C@H]3CO)c2)c1 ZINC000189762008 1432227538 /nfs/dbraw/zinc/22/75/38/1432227538.db2.gz JFCZVIQTEDVDHU-HRAATJIYSA-N 0 0 392.455 3.108 20 30 GGEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CC[C@H](C)[C@@H]3CO)c2)c1 ZINC000189762046 1432227841 /nfs/dbraw/zinc/22/78/41/1432227841.db2.gz JFCZVIQTEDVDHU-KKSFZXQISA-N 0 0 392.455 3.108 20 30 GGEDRN COC(=O)[C@@](C)(CNC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccccc1 ZINC000189780428 1432233198 /nfs/dbraw/zinc/23/31/98/1432233198.db2.gz UYFHBQAQXSHTAR-UGKGYDQZSA-N 0 0 379.460 3.462 20 30 GGEDRN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C)c1cccc(C#N)c1 ZINC000189806430 1432240037 /nfs/dbraw/zinc/24/00/37/1432240037.db2.gz JMYWQKYOMOCIDD-GFCCVEGCSA-N 0 0 386.502 3.429 20 30 GGEDRN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000189819731 1432244193 /nfs/dbraw/zinc/24/41/93/1432244193.db2.gz DAETWPLLVIXBBP-FZKQIMNGSA-N 0 0 383.835 3.139 20 30 GGEDRN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000189819686 1432244224 /nfs/dbraw/zinc/24/42/24/1432244224.db2.gz DAETWPLLVIXBBP-ACJLOTCBSA-N 0 0 383.835 3.139 20 30 GGEDRN C[C@H](Sc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000189823505 1432245082 /nfs/dbraw/zinc/24/50/82/1432245082.db2.gz JFCNPSKDCILFHA-YJBOKZPZSA-N 0 0 399.520 3.019 20 30 GGEDRN COc1ccc(Cn2ccc(NC(=O)N(C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000189855115 1432254184 /nfs/dbraw/zinc/25/41/84/1432254184.db2.gz MFBRFIMISXNWOX-UHFFFAOYSA-N 0 0 375.432 3.476 20 30 GGEDRN COc1ccc(Cn2ccc(NC(=O)NCc3cc(C#N)ccc3F)n2)cc1 ZINC000189873317 1432259047 /nfs/dbraw/zinc/25/90/47/1432259047.db2.gz YRFKVHIVFXCOCJ-UHFFFAOYSA-N 0 0 379.395 3.272 20 30 GGEDRN N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)n1 ZINC000189890367 1432264650 /nfs/dbraw/zinc/26/46/50/1432264650.db2.gz IMELTVLWIJSMKT-FQEVSTJZSA-N 0 0 399.454 3.206 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)Nc1ncnc2c1c(C)c(C)n2C[C@@H]1CCCO1 ZINC000189891580 1432265057 /nfs/dbraw/zinc/26/50/57/1432265057.db2.gz FTHVGPBGEMRKTO-HRAATJIYSA-N 0 0 386.496 3.394 20 30 GGEDRN C=CCCN(OCc1ccccc1)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000189903358 1432268593 /nfs/dbraw/zinc/26/85/93/1432268593.db2.gz JZWGCXHPJMGUKL-UHFFFAOYSA-N 0 0 392.455 3.486 20 30 GGEDRN CS(=O)(=O)c1cc(NC(=O)N(CCC#N)Cc2ccccn2)ccc1Cl ZINC000189906084 1432269083 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375.436 3.446 20 30 GGEDRN CC(C)c1c(NC(=O)C(=O)NCc2cccc(C#N)c2)cnn1-c1ccccc1 ZINC000190383077 1432371138 /nfs/dbraw/zinc/37/11/38/1432371138.db2.gz NLQIGQJFSJFFDS-UHFFFAOYSA-N 0 0 387.443 3.122 20 30 GGEDRN Cc1cc(C)nc(-n2nccc2NC(=O)N[C@H](CCC#N)c2ccccc2)n1 ZINC000190384355 1432371218 /nfs/dbraw/zinc/37/12/18/1432371218.db2.gz LQHXLTJZVMVSQI-QGZVFWFLSA-N 0 0 375.436 3.446 20 30 GGEDRN N#C[C@@H]1CN(C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)CCO1 ZINC000190387888 1432371840 /nfs/dbraw/zinc/37/18/40/1432371840.db2.gz KLUMROQQTIEAQG-GFCCVEGCSA-N 0 0 387.789 3.324 20 30 GGEDRN COC(=O)C[C@@](C)(NC(=O)C#Cc1ccc(C(F)(F)F)cc1)c1ccccn1 ZINC000190391033 1432372502 /nfs/dbraw/zinc/37/25/02/1432372502.db2.gz VNAFFQJOYZAZKA-LJQANCHMSA-N 0 0 390.361 3.047 20 30 GGEDRN C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c2cccc(Cl)c2O1 ZINC000190410905 1432376205 /nfs/dbraw/zinc/37/62/05/1432376205.db2.gz IDESUXZQEZAKLB-SNVBAGLBSA-N 0 0 393.808 3.096 20 30 GGEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NOC[C@H]2CCOC2)cc1 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3.418 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000193113550 1432937954 /nfs/dbraw/zinc/93/79/54/1432937954.db2.gz GANSHUOYIFYCOL-UHFFFAOYSA-N 0 0 394.855 3.023 20 30 GGEDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000193119511 1432939104 /nfs/dbraw/zinc/93/91/04/1432939104.db2.gz NCVQLCVXZDWLAS-CYBMUJFWSA-N 0 0 397.435 3.147 20 30 GGEDRN CC[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)Oc1cccc(C)c1 ZINC000193120515 1432939289 /nfs/dbraw/zinc/93/92/89/1432939289.db2.gz WMOPSEGFSBEOFV-QGZVFWFLSA-N 0 0 396.491 3.336 20 30 GGEDRN CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193125590 1432940253 /nfs/dbraw/zinc/94/02/53/1432940253.db2.gz HJJGZRNULZABBH-GJZGRUSLSA-N 0 0 376.526 3.234 20 30 GGEDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193125580 1432940314 /nfs/dbraw/zinc/94/03/14/1432940314.db2.gz HJJGZRNULZABBH-LSDHHAIUSA-N 0 0 376.526 3.234 20 30 GGEDRN Cc1sc2nc([C@@H](C)Sc3nc(N)c(C#N)cc3C#N)nc(N)c2c1C ZINC000193134099 1432942208 /nfs/dbraw/zinc/94/22/08/1432942208.db2.gz NMCGBMKQZMIMKY-SECBINFHSA-N 0 0 381.490 3.464 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)CS(=O)(=O)CCCc2ccccc2)cc1 ZINC000193139258 1432943212 /nfs/dbraw/zinc/94/32/12/1432943212.db2.gz QJUZGGYLRJVTNI-UHFFFAOYSA-N 0 0 384.501 3.474 20 30 GGEDRN COc1cc(C#N)ccc1OC(=O)[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1 ZINC000193143951 1432943983 /nfs/dbraw/zinc/94/39/83/1432943983.db2.gz WQCPSHDEHNBYCD-QGZVFWFLSA-N 0 0 378.428 3.451 20 30 GGEDRN Cc1nc(C(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)ccc1C#N ZINC000193169390 1432949770 /nfs/dbraw/zinc/94/97/70/1432949770.db2.gz HASYLMGDFFDCEG-UHFFFAOYSA-N 0 0 398.469 3.041 20 30 GGEDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCC#N)c1ccc(C)cc1 ZINC000193176591 1432951434 /nfs/dbraw/zinc/95/14/34/1432951434.db2.gz MELUEHLEPLPTBA-UHFFFAOYSA-N 0 0 375.406 3.021 20 30 GGEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCCCO)cc1Cl ZINC000193182930 1432952671 /nfs/dbraw/zinc/95/26/71/1432952671.db2.gz UMCYTOCFJLFGOM-GOSISDBHSA-N 0 0 399.878 3.213 20 30 GGEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCCCO)cc1Cl ZINC000193182944 1432952788 /nfs/dbraw/zinc/95/27/88/1432952788.db2.gz UMCYTOCFJLFGOM-SFHVURJKSA-N 0 0 399.878 3.213 20 30 GGEDRN Cc1cc(NC(=O)CNC(=O)c2ccc(C#N)cc2)ccc1Oc1ccncc1 ZINC000193193809 1432955636 /nfs/dbraw/zinc/95/56/36/1432955636.db2.gz HRSPZESWRNZPRT-UHFFFAOYSA-N 0 0 386.411 3.423 20 30 GGEDRN CC(=O)c1c(C)cc(C)c(CS(=O)(=O)CC(=O)Nc2ccc(C#N)cc2)c1C ZINC000193195052 1432955645 /nfs/dbraw/zinc/95/56/45/1432955645.db2.gz ABPWWRCGJUVKMH-UHFFFAOYSA-N 0 0 398.484 3.240 20 30 GGEDRN CCOC(=O)c1sc2ncn(CCCOc3ccc(C#N)cc3)c(=O)c2c1C ZINC000193223750 1432961537 /nfs/dbraw/zinc/96/15/37/1432961537.db2.gz IJTIDPHDEYCCQB-UHFFFAOYSA-N 0 0 397.456 3.284 20 30 GGEDRN C=CCOc1ccccc1CNC(=O)C(=O)Nc1cnn(C2CCCC2)c1C ZINC000193225872 1432962542 /nfs/dbraw/zinc/96/25/42/1432962542.db2.gz CVJSUKRUTPEVRI-UHFFFAOYSA-N 0 0 382.464 3.126 20 30 GGEDRN Cc1ccccc1[C@H](CC(=O)N(Cc1ccc(C#N)cc1)C1CC1)NC(N)=O ZINC000193232908 1432963631 /nfs/dbraw/zinc/96/36/31/1432963631.db2.gz LNJMZCNRGAKTJI-FQEVSTJZSA-N 0 0 376.460 3.157 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCc2c([nH]c3ccccc32)C1 ZINC000193234484 1432963957 /nfs/dbraw/zinc/96/39/57/1432963957.db2.gz WRCOZLXBIRITJQ-UHFFFAOYSA-N 0 0 389.459 3.119 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)/C(=C/c1cccc(OC)c1)n1nnnc1C ZINC000193236702 1432964837 /nfs/dbraw/zinc/96/48/37/1432964837.db2.gz AYZKIENYIWDMLZ-UYRXBGFRSA-N 0 0 395.488 3.265 20 30 GGEDRN CNC(=O)c1cccc(N[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000193237162 1432965021 /nfs/dbraw/zinc/96/50/21/1432965021.db2.gz ODXBVSBDUKKZNL-KRWDZBQOSA-N 0 0 378.476 3.410 20 30 GGEDRN CNC(=O)c1cccc(N[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000193237149 1432965028 /nfs/dbraw/zinc/96/50/28/1432965028.db2.gz ODXBVSBDUKKZNL-QGZVFWFLSA-N 0 0 378.476 3.410 20 30 GGEDRN N#Cc1ccc(CNC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000193246073 1432967141 /nfs/dbraw/zinc/96/71/41/1432967141.db2.gz FXUWOZPBVIBVTN-UHFFFAOYSA-N 0 0 381.391 3.289 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000193255965 1432968438 /nfs/dbraw/zinc/96/84/38/1432968438.db2.gz VKPSAGHRPZTGDH-GOSISDBHSA-N 0 0 393.491 3.156 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000193255950 1432968446 /nfs/dbraw/zinc/96/84/46/1432968446.db2.gz VKPSAGHRPZTGDH-SFHVURJKSA-N 0 0 393.491 3.156 20 30 GGEDRN N#C[C@@H](C(=O)c1ccc(N2CCCCCC2)nc1)c1nnc2n1CCCCC2 ZINC000193260475 1432969570 /nfs/dbraw/zinc/96/95/70/1432969570.db2.gz QVNLQXFNXKAPKS-KRWDZBQOSA-N 0 0 378.480 3.270 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccnn3-c3ccccc3C)CC2)o1 ZINC000193262109 1432970166 /nfs/dbraw/zinc/97/01/66/1432970166.db2.gz JIVNMNSXWSIEBD-UHFFFAOYSA-N 0 0 390.447 3.204 20 30 GGEDRN C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(OC)c2C)ccc1F ZINC000193262277 1432970169 /nfs/dbraw/zinc/97/01/69/1432970169.db2.gz KCTBRRKKEHBTHM-UHFFFAOYSA-N 0 0 392.452 3.168 20 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ZINC000193294329 1432974871 /nfs/dbraw/zinc/97/48/71/1432974871.db2.gz KNLKCOSFGXIWJO-MSOLQXFVSA-N 0 0 394.475 3.090 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCc1ccc(Cl)cc1F ZINC000193313199 1432977695 /nfs/dbraw/zinc/97/76/95/1432977695.db2.gz OKDGILDLZNPDKQ-UHFFFAOYSA-N 0 0 376.819 3.162 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCSC[C@@H]1c1ccccc1 ZINC000193323379 1432979319 /nfs/dbraw/zinc/97/93/19/1432979319.db2.gz HXJLISVIWZPTFM-QGZVFWFLSA-N 0 0 396.516 3.370 20 30 GGEDRN C=CCOC(=O)c1sc2[nH]c(Cc3ccc([N+](=O)[O-])cc3)nc(=O)c2c1C ZINC000193324977 1432979623 /nfs/dbraw/zinc/97/96/23/1432979623.db2.gz VFQUPCOOABBPCA-UHFFFAOYSA-N 0 0 385.401 3.135 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c2nnc3ccccn32)cc1 ZINC000193327709 1432980123 /nfs/dbraw/zinc/98/01/23/1432980123.db2.gz KPERUIVXLQPOMF-DLBZAZTESA-N 0 0 376.464 3.024 20 30 GGEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c2nnc3ccccn32)c1 ZINC000193327674 1432980155 /nfs/dbraw/zinc/98/01/55/1432980155.db2.gz ZLPHNVMFPUTUTH-ROUUACIJSA-N 0 0 390.491 3.332 20 30 GGEDRN N#CCCN(Cc1cccnc1)C(=O)C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000193338255 1432981693 /nfs/dbraw/zinc/98/16/93/1432981693.db2.gz XGMWLKQMGRSRSE-UHFFFAOYSA-N 0 0 397.504 3.078 20 30 GGEDRN O=c1[nH]c2ccccc2cc1C=NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000193336260 1432981802 /nfs/dbraw/zinc/98/18/02/1432981802.db2.gz IIWHMJDBZFDRRI-PXLXIMEGSA-N 0 0 395.484 3.344 20 30 GGEDRN C[C@@H](Nc1ccc2c(c1)CC(=O)N2C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000193339929 1432982098 /nfs/dbraw/zinc/98/20/98/1432982098.db2.gz ABYILUNNDFKJBJ-CQSZACIVSA-N 0 0 380.423 3.092 20 30 GGEDRN Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)C(=O)N3CCCC3)cc12 ZINC000193353946 1432984430 /nfs/dbraw/zinc/98/44/30/1432984430.db2.gz PALVHZLIAPMAJP-QGZVFWFLSA-N 0 0 392.484 3.399 20 30 GGEDRN Cc1nc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)ccc1C#N ZINC000193354390 1432984826 /nfs/dbraw/zinc/98/48/26/1432984826.db2.gz AZAHMJGUVUOFNV-UHFFFAOYSA-N 0 0 392.440 3.315 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@H](C)Oc4cc(F)ccc43)CC2)o1 ZINC000193354957 1432984903 /nfs/dbraw/zinc/98/49/03/1432984903.db2.gz MLXAUGMIOFCZIE-LBPRGKRZSA-N 0 0 384.411 3.024 20 30 GGEDRN N#CCc1ccccc1NS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000193356811 1432985073 /nfs/dbraw/zinc/98/50/73/1432985073.db2.gz ZMHIYEXNJUUHKU-CQSZACIVSA-N 0 0 390.436 3.108 20 30 GGEDRN CCN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@@H](C)c1cccc(O)c1 ZINC000193361770 1432985711 /nfs/dbraw/zinc/98/57/11/1432985711.db2.gz FYVQLGYAYKITCZ-AWEZNQCLSA-N 0 0 382.464 3.369 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(F)cc3OC(F)F)CC2)o1 ZINC000193369212 1432986331 /nfs/dbraw/zinc/98/63/31/1432986331.db2.gz UQVDVRSMRCFQTR-UHFFFAOYSA-N 0 0 394.353 3.450 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000193367014 1432986370 /nfs/dbraw/zinc/98/63/70/1432986370.db2.gz NDCUHGADFDRAPU-UHFFFAOYSA-N 0 0 397.454 3.431 20 30 GGEDRN CCCCCNC(=O)[C@H](C#N)C(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000193369926 1432986543 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C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc21)N(C)CC(F)(F)F ZINC000194886693 1433257315 /nfs/dbraw/zinc/25/73/15/1433257315.db2.gz BFMLXNUILAJBCH-WFASDCNBSA-N 0 0 377.366 3.370 20 30 GGEDRN C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc21)N(C)CC(F)(F)F ZINC000194886679 1433257385 /nfs/dbraw/zinc/25/73/85/1433257385.db2.gz BFMLXNUILAJBCH-IUODEOHRSA-N 0 0 377.366 3.370 20 30 GGEDRN C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)N(C)CC(F)(F)F ZINC000194887399 1433258002 /nfs/dbraw/zinc/25/80/02/1433258002.db2.gz KWFIEHGJJPDNKL-WCBMZHEXSA-N 0 0 379.741 3.009 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(CC2CCC2)C(C)C)c1C ZINC000194892540 1433258203 /nfs/dbraw/zinc/25/82/03/1433258203.db2.gz XKGUAFQHTTWHSC-UHFFFAOYSA-N 0 0 393.491 3.336 20 30 GGEDRN N#Cc1ccc(CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)cc1 ZINC000194902142 1433260814 /nfs/dbraw/zinc/26/08/14/1433260814.db2.gz YRMKZMPPFQRVAK-UHFFFAOYSA-N 0 0 387.399 3.457 20 30 GGEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cnn(Cc2ccccn2)c1 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N#Cc1ccc(CN(C2CC2)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000195021037 1433281866 /nfs/dbraw/zinc/28/18/66/1433281866.db2.gz AFIDSVMBROZMJL-UHFFFAOYSA-N 0 0 391.836 3.473 20 30 GGEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCC(=O)N1CCCCCC1 ZINC000195021876 1433281874 /nfs/dbraw/zinc/28/18/74/1433281874.db2.gz HKZFJAFWRIPXPR-UHFFFAOYSA-N 0 0 395.425 3.149 20 30 GGEDRN N#Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000195022903 1433282099 /nfs/dbraw/zinc/28/20/99/1433282099.db2.gz XOTHQIYMCRXTLA-UHFFFAOYSA-N 0 0 384.457 3.073 20 30 GGEDRN N#Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000195023290 1433282147 /nfs/dbraw/zinc/28/21/47/1433282147.db2.gz CFCXKYGRKXOLTJ-UHFFFAOYSA-N 0 0 391.836 3.473 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(C)(C)CCC#N)s1 ZINC000195041386 1433284541 /nfs/dbraw/zinc/28/45/41/1433284541.db2.gz HFTIKSUNWCGPFJ-AWEZNQCLSA-N 0 0 384.523 3.083 20 30 GGEDRN CC(C)(CCC#N)COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000195051082 1433285543 /nfs/dbraw/zinc/28/55/43/1433285543.db2.gz ZBLNDRFSDGLHQD-UHFFFAOYSA-N 0 0 388.489 3.381 20 30 GGEDRN CC(C)(CCC#N)COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000195067164 1433287969 /nfs/dbraw/zinc/28/79/69/1433287969.db2.gz JARFBUBMUWHJPE-LBPRGKRZSA-N 0 0 379.438 3.134 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1oc2ccc(F)cc2c1C ZINC000195070176 1433288515 /nfs/dbraw/zinc/28/85/15/1433288515.db2.gz GHOGIIIVZKGSFL-UHFFFAOYSA-N 0 0 395.390 3.406 20 30 GGEDRN CC(C)n1ncc2cc(CN3CCN(c4cccc(F)c4C#N)CC3)cnc21 ZINC000195072274 1433288795 /nfs/dbraw/zinc/28/87/95/1433288795.db2.gz LFIXOHRRZMIHSP-UHFFFAOYSA-N 0 0 378.455 3.345 20 30 GGEDRN CCCCOc1ncccc1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000195076315 1433289289 /nfs/dbraw/zinc/28/92/89/1433289289.db2.gz PEDLJICAJSSAQI-UHFFFAOYSA-N 0 0 394.475 3.317 20 30 GGEDRN CCc1ccc(OCc2nnc(S(=O)(=O)CCCC#N)n2CC(C)C)cc1 ZINC000195083952 1433290519 /nfs/dbraw/zinc/29/05/19/1433290519.db2.gz FVWYAXWJRBZDFX-UHFFFAOYSA-N 0 0 390.509 3.153 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc2scnc2c1 ZINC000195086797 1433290850 /nfs/dbraw/zinc/29/08/50/1433290850.db2.gz MCZTVRFMRBWKDP-UHFFFAOYSA-N 0 0 376.445 3.399 20 30 GGEDRN COc1cc(OCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)ccc1C#N ZINC000195093954 1433291474 /nfs/dbraw/zinc/29/14/74/1433291474.db2.gz UVLCHBRAZSAVKT-UHFFFAOYSA-N 0 0 376.416 3.387 20 30 GGEDRN COc1cc(OCc2nnc(C(=O)NCc3ccc(F)cc3)s2)ccc1C#N ZINC000195093259 1433291482 /nfs/dbraw/zinc/29/14/82/1433291482.db2.gz CUVLOZWEZUOTLJ-UHFFFAOYSA-N 0 0 398.419 3.066 20 30 GGEDRN CN(CCC#N)c1ccc(CNc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000195097132 1433292054 /nfs/dbraw/zinc/29/20/54/1433292054.db2.gz JHQGBZNRGHDMOK-UHFFFAOYSA-N 0 0 378.476 3.121 20 30 GGEDRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)/C=C/c2ccccc2C#N)c1 ZINC000195100529 1433292257 /nfs/dbraw/zinc/29/22/57/1433292257.db2.gz YEKJSCBMHGDOIC-YXBWYFRISA-N 0 0 377.469 3.420 20 30 GGEDRN CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000195102012 1433292796 /nfs/dbraw/zinc/29/27/96/1433292796.db2.gz BBUVZQISHHSKPJ-HNNXBMFYSA-N 0 0 385.489 3.032 20 30 GGEDRN COc1nn(C)c2nc(C)c(CCC(=O)N(CC#N)c3ccccc3)c(C)c12 ZINC000195119391 1433294875 /nfs/dbraw/zinc/29/48/75/1433294875.db2.gz RVOXKRYQWSBSJT-UHFFFAOYSA-N 0 0 377.448 3.083 20 30 GGEDRN N#CCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccccc1 ZINC000195122890 1433295212 /nfs/dbraw/zinc/29/52/12/1433295212.db2.gz FMAHHHUBAMCBEN-UHFFFAOYSA-N 0 0 383.398 3.374 20 30 GGEDRN N#CCCCCS(=O)(=O)c1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000195123130 1433295659 /nfs/dbraw/zinc/29/56/59/1433295659.db2.gz OXADHHWKZIZNNI-UHFFFAOYSA-N 0 0 394.884 3.313 20 30 GGEDRN CCOc1ccc(C(=O)N[C@H](C(=O)N(CC#N)c2ccccc2)C(C)C)cc1 ZINC000195123719 1433295679 /nfs/dbraw/zinc/29/56/79/1433295679.db2.gz BJDPQIKJGAGFJU-FQEVSTJZSA-N 0 0 379.460 3.396 20 30 GGEDRN C=CCNC(=O)c1ccc(NCc2ccccc2OCC(=O)N2CCCC2)cc1 ZINC000195125749 1433295993 /nfs/dbraw/zinc/29/59/93/1433295993.db2.gz FNRHXDFJKNYBJC-UHFFFAOYSA-N 0 0 393.487 3.216 20 30 GGEDRN C=CCNC(=O)c1ccc(NCc2ccc(OCc3noc(C)n3)cc2)cc1 ZINC000195126214 1433296021 /nfs/dbraw/zinc/29/60/21/1433296021.db2.gz REHVXSRXIWAQOP-UHFFFAOYSA-N 0 0 378.432 3.485 20 30 GGEDRN C=CCNC(=O)c1ccc(NCc2ccccc2OCC(=O)NCC2CC2)cc1 ZINC000195126460 1433296347 /nfs/dbraw/zinc/29/63/47/1433296347.db2.gz QTRNHYCHOIJQMV-UHFFFAOYSA-N 0 0 393.487 3.120 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000195142878 1433298774 /nfs/dbraw/zinc/29/87/74/1433298774.db2.gz OCKLXDZJANJPEK-LJQANCHMSA-N 0 0 392.459 3.441 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000195143730 1433298941 /nfs/dbraw/zinc/29/89/41/1433298941.db2.gz MQYLDDCQXZIJEJ-SFHVURJKSA-N 0 0 378.432 3.052 20 30 GGEDRN COc1cc(OC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)ccc1C#N ZINC000195154792 1433300446 /nfs/dbraw/zinc/30/04/46/1433300446.db2.gz LSMAWDDELAPOAN-MRXNPFEDSA-N 0 0 382.391 3.164 20 30 GGEDRN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000195160139 1433301101 /nfs/dbraw/zinc/30/11/01/1433301101.db2.gz WEBYQZLNFKXVJE-AUUYWEPGSA-N 0 0 379.485 3.105 20 30 GGEDRN Cc1nn(C)c2ncc(/C=C/C(=O)c3nnn(-c4ccc(F)cc4)c3C)cc12 ZINC000195175467 1433302916 /nfs/dbraw/zinc/30/29/16/1433302916.db2.gz HRUXVEYTTLHLDJ-RUDMXATFSA-N 0 0 376.395 3.201 20 30 GGEDRN C=C(Br)CNC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000195178468 1433303668 /nfs/dbraw/zinc/30/36/68/1433303668.db2.gz ZDSXECKSKBUVHJ-UHFFFAOYSA-N 0 0 380.286 3.021 20 30 GGEDRN Cc1c([C@H](C)Nc2ccc(C#N)c(N[C@@H](C)c3cnn(C)c3C)n2)cnn1C ZINC000195181884 1433304077 /nfs/dbraw/zinc/30/40/77/1433304077.db2.gz WXCWLQDVXIXOSQ-STQMWFEESA-N 0 0 378.484 3.383 20 30 GGEDRN CCO[C@H](CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccccc1 ZINC000195185020 1433304199 /nfs/dbraw/zinc/30/41/99/1433304199.db2.gz KJSCKSXTFSIMIZ-FGZHOGPDSA-N 0 0 392.503 3.184 20 30 GGEDRN CCCCc1c(C)nc2nc(S(=O)(=O)CCCC(C)(C)C#N)nn2c1C ZINC000195186842 1433304635 /nfs/dbraw/zinc/30/46/35/1433304635.db2.gz JYEHSISQFQATDK-UHFFFAOYSA-N 0 0 377.514 3.187 20 30 GGEDRN CC(C)(C)c1ccc(/N=C2/NC(=O)C(CC(=O)NCC(F)(F)F)S2)cc1 ZINC000195216828 1433308284 /nfs/dbraw/zinc/30/82/84/1433308284.db2.gz APDUWBQQTUGGKY-GFCCVEGCSA-N 0 0 387.427 3.272 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000195225838 1433309255 /nfs/dbraw/zinc/30/92/55/1433309255.db2.gz YWTAOSGNSPTZCA-UYAOXDASSA-N 0 0 377.444 3.089 20 30 GGEDRN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCCSCc2ccccc2C#N)C1 ZINC000195237897 1433310637 /nfs/dbraw/zinc/31/06/37/1433310637.db2.gz HNCCLHJDMSMKBY-AEFFLSMTSA-N 0 0 387.549 3.192 20 30 GGEDRN C#CCNC(=O)c1ccccc1NC(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000195250670 1433311892 /nfs/dbraw/zinc/31/18/92/1433311892.db2.gz KXOHIBOLCFRWJJ-UHFFFAOYSA-N 0 0 386.455 3.164 20 30 GGEDRN C=C(Br)CNC(=O)C(=O)Nc1ccccc1N1CCCCCC1 ZINC000195260059 1433312612 /nfs/dbraw/zinc/31/26/12/1433312612.db2.gz ISRVBIVPHYARPH-UHFFFAOYSA-N 0 0 380.286 3.030 20 30 GGEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)Cc2cccc(F)c2)cc1OC ZINC000195262162 1433312827 /nfs/dbraw/zinc/31/28/27/1433312827.db2.gz VYTOURHBWATCLV-DYVFJYSZSA-N 0 0 384.407 3.369 20 30 GGEDRN Cc1cc(NC(=O)CNC(=O)/C=C/c2ccccc2C#N)ccc1Br ZINC000195289556 1433315484 /nfs/dbraw/zinc/31/54/84/1433315484.db2.gz RDJMGUCFSUGLNX-RMKNXTFCSA-N 0 0 398.260 3.397 20 30 GGEDRN N#CCOc1ccccc1C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000195290853 1433315736 /nfs/dbraw/zinc/31/57/36/1433315736.db2.gz JDHVRUGMAPRUAS-UHFFFAOYSA-N 0 0 386.411 3.166 20 30 GGEDRN Cc1nc(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2C)ccc1C#N ZINC000195304670 1433317042 /nfs/dbraw/zinc/31/70/42/1433317042.db2.gz UHPXTCPVPOGKAF-UHFFFAOYSA-N 0 0 380.473 3.011 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)c2ccc(OCc3ccccc3)nc2)c1 ZINC000195305746 1433317247 /nfs/dbraw/zinc/31/72/47/1433317247.db2.gz DHOCCVULALPOJN-UHFFFAOYSA-N 0 0 385.423 3.010 20 30 GGEDRN N#Cc1ccccc1/C=C/C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000195306492 1433317399 /nfs/dbraw/zinc/31/73/99/1433317399.db2.gz RJYGMWZQCZTBKJ-BUHFOSPRSA-N 0 0 387.483 3.265 20 30 GGEDRN COc1ccc(C(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)cc1Cn1cccn1 ZINC000195305676 1433317418 /nfs/dbraw/zinc/31/74/18/1433317418.db2.gz CJCDERWOQFXBHL-ZZXKWVIFSA-N 0 0 389.411 3.167 20 30 GGEDRN N#Cc1ccccc1/C=C/C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000195309695 1433317654 /nfs/dbraw/zinc/31/76/54/1433317654.db2.gz SWLLQGDFAWXUGT-MDZDMXLPSA-N 0 0 393.450 3.340 20 30 GGEDRN O=C1COc2ccc(/C=C3\COc4cc(Br)ccc4C3=O)cc2N1 ZINC000195307929 1433317660 /nfs/dbraw/zinc/31/76/60/1433317660.db2.gz PRHUAFJXPGKRHK-VZUCSPMQSA-N 0 0 386.201 3.439 20 30 GGEDRN O=C(/C=C/c1sccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000195334183 1433320249 /nfs/dbraw/zinc/32/02/49/1433320249.db2.gz QMQGQHDSDSZYPN-AATRIKPKSA-N 0 0 397.905 3.319 20 30 GGEDRN CN1c2ccccc2N(C)C1=C1C(=N)N(Cc2ccccc2-n2cccn2)CC1=O ZINC000195339581 1433320498 /nfs/dbraw/zinc/32/04/98/1433320498.db2.gz HPSRUYGJFFYGJV-UHFFFAOYSA-N 0 0 398.470 3.032 20 30 GGEDRN O=C(/C=C/c1sccc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000195338531 1433320515 /nfs/dbraw/zinc/32/05/15/1433320515.db2.gz VHFFPUTVNOIWQG-SNAWJCMRSA-N 0 0 397.905 3.319 20 30 GGEDRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)Cc1ccc(C#N)cc1 ZINC000195348728 1433321367 /nfs/dbraw/zinc/32/13/67/1433321367.db2.gz SXDWYLBFAFQCSP-UHFFFAOYSA-N 0 0 398.362 3.042 20 30 GGEDRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1cccc(CC#N)c1 ZINC000195348769 1433321373 /nfs/dbraw/zinc/32/13/73/1433321373.db2.gz BWSWRCTZTHGMDW-UHFFFAOYSA-N 0 0 398.362 3.307 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)c2csc(-c3ccccn3)n2)CC1 ZINC000195350108 1433321746 /nfs/dbraw/zinc/32/17/46/1433321746.db2.gz ZPPZAJHWLAWGIQ-UHFFFAOYSA-N 0 0 375.457 3.039 20 30 GGEDRN C[C@H](NC(=O)/C=C/c1ccccc1C#N)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000195356059 1433322063 /nfs/dbraw/zinc/32/20/63/1433322063.db2.gz HANCEPBMAFYQJI-FLVLSHQESA-N 0 0 388.471 3.315 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)Nc1ccc2nc(N(C)C)ccc2c1 ZINC000195355974 1433322239 /nfs/dbraw/zinc/32/22/39/1433322239.db2.gz WTJMPNGFXVAGKN-UHFFFAOYSA-N 0 0 376.416 3.199 20 30 GGEDRN Cc1cc(C)c(N2C[C@@H](C(=O)N(CCC#N)Cc3cccnc3)CC2=O)c(C)c1 ZINC000195359926 1433322736 /nfs/dbraw/zinc/32/27/36/1433322736.db2.gz UGUMBFGGKHHVBI-FQEVSTJZSA-N 0 0 390.487 3.302 20 30 GGEDRN CCC[C@@H](CC)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000195366845 1433323077 /nfs/dbraw/zinc/32/30/77/1433323077.db2.gz CFFFJSVHVJXCHT-GICLCMKGSA-N 0 0 380.514 3.200 20 30 GGEDRN CCC[C@H](CC)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000195366422 1433323238 /nfs/dbraw/zinc/32/32/38/1433323238.db2.gz DRXRDVLQOPPOCX-HGNXGAGXSA-N 0 0 380.514 3.200 20 30 GGEDRN Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)Cc1ccc(C#N)cc1 ZINC000195373558 1433323609 /nfs/dbraw/zinc/32/36/09/1433323609.db2.gz VMIRJPHVATUBAE-UHFFFAOYSA-N 0 0 379.485 3.237 20 30 GGEDRN C=CCN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)S/C1=N\c1ccccc1F ZINC000195379460 1433324167 /nfs/dbraw/zinc/32/41/67/1433324167.db2.gz ZUVDREMRPUIMIT-FLLWUHORSA-N 0 0 389.374 3.012 20 30 GGEDRN CCN1C(=O)[C@H](CC(=O)NCC(F)(F)F)S/C1=N\[C@H](C)c1cccs1 ZINC000195392578 1433325350 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385.395 3.369 20 30 GGEDRN N#Cc1ccnc(N2CCN(C(=O)Nc3ccc(F)cc3OC(F)F)CC2)c1 ZINC000266424398 1434334638 /nfs/dbraw/zinc/33/46/38/1434334638.db2.gz VVAVPSZLHMWVPR-UHFFFAOYSA-N 0 0 391.353 3.048 20 30 GGEDRN O=C(NCCCOC1CCOCC1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000266425995 1434334771 /nfs/dbraw/zinc/33/47/71/1434334771.db2.gz LVOXMUPSOMBIGM-UHFFFAOYSA-N 0 0 379.460 3.189 20 30 GGEDRN N#Cc1ccc(NC(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)cc1C(F)(F)F ZINC000266431948 1434335589 /nfs/dbraw/zinc/33/55/89/1434335589.db2.gz YIXZOPYOEWFIGX-RYUDHWBXSA-N 0 0 381.276 3.497 20 30 GGEDRN COC(=O)c1cc(NC(=O)N(C)Cc2ccc(C#N)cc2)c(OC)c(OC)c1 ZINC000266430809 1434335653 /nfs/dbraw/zinc/33/56/53/1434335653.db2.gz UVTBJCQJOVHCDH-UHFFFAOYSA-N 0 0 383.404 3.026 20 30 GGEDRN COC(=O)COc1ccc(N[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 ZINC000266438761 1434336966 /nfs/dbraw/zinc/33/69/66/1434336966.db2.gz GEQRGUXKNQQRJZ-KRWDZBQOSA-N 0 0 395.459 3.294 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(N2CCOC2=O)c1C ZINC000266449244 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GGEDRN C[C@H](CCc1ccco1)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000266514270 1434345502 /nfs/dbraw/zinc/34/55/02/1434345502.db2.gz AQPVZOIWJPLFCT-LLVKDONJSA-N 0 0 379.338 3.246 20 30 GGEDRN CC[C@@](C)(O)CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC000266520072 1434346165 /nfs/dbraw/zinc/34/61/65/1434346165.db2.gz DPYCSBIXUWZRDS-OAQYLSRUSA-N 0 0 397.500 3.180 20 30 GGEDRN CC(C)(CO)CCCNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000266520322 1434346187 /nfs/dbraw/zinc/34/61/87/1434346187.db2.gz AIGDBVKDBPVKAK-UHFFFAOYSA-N 0 0 395.459 3.204 20 30 GGEDRN COc1ccccc1O[C@@H](C)CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000266539522 1434347884 /nfs/dbraw/zinc/34/78/84/1434347884.db2.gz AUGRGZATWHNQKS-HNNXBMFYSA-N 0 0 395.459 3.019 20 30 GGEDRN N#Cc1ccc(-c2nnc(CN3CCN(C(=O)CCC4CCCC4)CC3)o2)cc1 ZINC000266542875 1434348130 /nfs/dbraw/zinc/34/81/30/1434348130.db2.gz QMOYAOUTEYPCJH-UHFFFAOYSA-N 0 0 393.491 3.223 20 30 GGEDRN CCC(O)(CC)CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000266556935 1434349317 /nfs/dbraw/zinc/34/93/17/1434349317.db2.gz OSLFJQRZRXUHOS-UHFFFAOYSA-N 0 0 399.422 3.095 20 30 GGEDRN CCOC(=O)c1cc(CC)sc1NC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000266561435 1434349776 /nfs/dbraw/zinc/34/97/76/1434349776.db2.gz PNRUEUOUONIVPW-GFCCVEGCSA-N 0 0 399.472 3.175 20 30 GGEDRN COc1ccc(CNc2ccc3c(c2)N(C)C(=O)CO3)cc1OCCCC#N ZINC000266563893 1434349951 /nfs/dbraw/zinc/34/99/51/1434349951.db2.gz JZOHQQZDBCOGKA-UHFFFAOYSA-N 0 0 381.432 3.345 20 30 GGEDRN CCc1ccc([C@@H](COC)NC(=O)N(CCOC)Cc2ccc(C#N)cc2)o1 ZINC000266569000 1434350389 /nfs/dbraw/zinc/35/03/89/1434350389.db2.gz VQHBGNSCDFSOLL-LJQANCHMSA-N 0 0 385.464 3.259 20 30 GGEDRN COc1cc(C)c([C@H](C)NC(=O)C(=O)Nc2cccc(C)c2C#N)cc1OC ZINC000266567959 1434350410 /nfs/dbraw/zinc/35/04/10/1434350410.db2.gz OPAHVLYQPYZARC-AWEZNQCLSA-N 0 0 381.432 3.008 20 30 GGEDRN CN(C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1Cc2ccccc2C1 ZINC000266579031 1434351302 /nfs/dbraw/zinc/35/13/02/1434351302.db2.gz SURSWBVEDCJDCM-UHFFFAOYSA-N 0 0 387.361 3.141 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[C@H](O)c1ccccc1 ZINC000266585237 1434351627 /nfs/dbraw/zinc/35/16/27/1434351627.db2.gz JOGBQGXJJWCQEK-YJBOKZPZSA-N 0 0 397.500 3.117 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[C@@H](O)c1ccccc1 ZINC000266585227 1434351655 /nfs/dbraw/zinc/35/16/55/1434351655.db2.gz JOGBQGXJJWCQEK-MAUKXSAKSA-N 0 0 397.500 3.117 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)c1C#N ZINC000266592982 1434352525 /nfs/dbraw/zinc/35/25/25/1434352525.db2.gz UVYPIJGHRVWSGU-IBGZPJMESA-N 0 0 393.443 3.004 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C#N ZINC000266594775 1434352792 /nfs/dbraw/zinc/35/27/92/1434352792.db2.gz WQXGOAYDIPKYSO-UHFFFAOYSA-N 0 0 376.460 3.062 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[C@H](O)c1ccccc1 ZINC000266597188 1434352960 /nfs/dbraw/zinc/35/29/60/1434352960.db2.gz LPMZKPMDLOVEPA-YJBOKZPZSA-N 0 0 397.500 3.259 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[C@@H](O)c1ccccc1 ZINC000266597182 1434352965 /nfs/dbraw/zinc/35/29/65/1434352965.db2.gz LPMZKPMDLOVEPA-CRAIPNDOSA-N 0 0 397.500 3.259 20 30 GGEDRN CCO[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C12CCCC2 ZINC000266607435 1434353721 /nfs/dbraw/zinc/35/37/21/1434353721.db2.gz NCWPPGCEWQSWFL-OALUTQOASA-N 0 0 399.491 3.162 20 30 GGEDRN CCO[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C12CCCC2 ZINC000266607432 1434353724 /nfs/dbraw/zinc/35/37/24/1434353724.db2.gz NCWPPGCEWQSWFL-MOPGFXCFSA-N 0 0 399.491 3.162 20 30 GGEDRN CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C12CCCC2 ZINC000266607439 1434353903 /nfs/dbraw/zinc/35/39/03/1434353903.db2.gz NCWPPGCEWQSWFL-RBUKOAKNSA-N 0 0 399.491 3.162 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCc3occc32)cc1C(F)(F)F ZINC000266610823 1434354225 /nfs/dbraw/zinc/35/42/25/1434354225.db2.gz ZWPVNWNYTRTXNI-AWEZNQCLSA-N 0 0 377.322 3.302 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000266619533 1434355156 /nfs/dbraw/zinc/35/51/56/1434355156.db2.gz GJFKBTKGTUQYBJ-ZWKOTPCHSA-N 0 0 377.444 3.031 20 30 GGEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H]1CCSC1 ZINC000266627494 1434356051 /nfs/dbraw/zinc/35/60/51/1434356051.db2.gz RGMXILKZGVVVKI-QGZVFWFLSA-N 0 0 395.484 3.006 20 30 GGEDRN C[C@@H](CCO)CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000266630058 1434356205 /nfs/dbraw/zinc/35/62/05/1434356205.db2.gz RQVWZMGJPJBFJR-KBXCAEBGSA-N 0 0 399.878 3.069 20 30 GGEDRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@H](C)Oc3ccc(C#N)cc3)ccc2NC1=O ZINC000266639035 1434357368 /nfs/dbraw/zinc/35/73/68/1434357368.db2.gz KNVGMNRMHQBLKC-NJSLBKSFSA-N 0 0 393.443 3.312 20 30 GGEDRN C[C@H](COCc1ccccc1)NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000266639870 1434357499 /nfs/dbraw/zinc/35/74/99/1434357499.db2.gz UFYKKSDVHOZNAW-QGZVFWFLSA-N 0 0 395.459 3.029 20 30 GGEDRN CCN(CCCO)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000266643912 1434357968 /nfs/dbraw/zinc/35/79/68/1434357968.db2.gz UYWWLBGFICXGDC-GOSISDBHSA-N 0 0 399.878 3.165 20 30 GGEDRN CSC(C)(C)CNC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C ZINC000266645952 1434358259 /nfs/dbraw/zinc/35/82/59/1434358259.db2.gz NJVNTQDEQOZHAO-UHFFFAOYSA-N 0 0 398.488 3.250 20 30 GGEDRN CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C12CCC2 ZINC000266647122 1434358564 /nfs/dbraw/zinc/35/85/64/1434358564.db2.gz KCFUPKPSHIJSKK-DLBZAZTESA-N 0 0 387.505 3.095 20 30 GGEDRN Cc1ccc(-c2nc(CNC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)co2)cc1 ZINC000266651670 1434359193 /nfs/dbraw/zinc/35/91/93/1434359193.db2.gz OFJPTZNKCHLHIU-UHFFFAOYSA-N 0 0 390.443 3.488 20 30 GGEDRN CO[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000266658516 1434360118 /nfs/dbraw/zinc/36/01/18/1434360118.db2.gz HGAVGZDYRHBKPL-SQWLQELKSA-N 0 0 375.494 3.093 20 30 GGEDRN C[C@H](O)CC(C)(C)CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000266663143 1434360914 /nfs/dbraw/zinc/36/09/14/1434360914.db2.gz MHYSXYAJTLAJNE-HNNXBMFYSA-N 0 0 395.459 3.202 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)CC)cc1 ZINC000266669562 1434361761 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KYRUIECJOIEMTE-CABCVRRESA-N 0 0 386.452 3.101 20 30 GGEDRN CC(C)CO[C@H](C)c1noc(CN(C)CC(=O)N(CCC#N)c2ccccc2)n1 ZINC000266693546 1434364433 /nfs/dbraw/zinc/36/44/33/1434364433.db2.gz CUAACFWDZOHXJK-QGZVFWFLSA-N 0 0 399.495 3.182 20 30 GGEDRN COC(C)(C)C[C@H](C)NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000266696930 1434364598 /nfs/dbraw/zinc/36/45/98/1434364598.db2.gz MISQJVCOGLXZIA-UONOGXRCSA-N 0 0 377.510 3.339 20 30 GGEDRN CC[C@@H]1CN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)c2ccccc2O1 ZINC000266713894 1434366855 /nfs/dbraw/zinc/36/68/55/1434366855.db2.gz FNGQQHGTWLAWOT-ZBFHGGJFSA-N 0 0 388.427 3.189 20 30 GGEDRN CCC1(CNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CCOCC1 ZINC000266721228 1434367479 /nfs/dbraw/zinc/36/74/79/1434367479.db2.gz JQHPRAZFPYUKCJ-UHFFFAOYSA-N 0 0 398.507 3.125 20 30 GGEDRN CCOCCOCc1cccc(NCC(=O)NCc2ccc(C#N)cc2)c1C ZINC000266729202 1434368356 /nfs/dbraw/zinc/36/83/56/1434368356.db2.gz JBUAMQYGCQTRBJ-UHFFFAOYSA-N 0 0 381.476 3.148 20 30 GGEDRN CCC(CC)CN(CCC#N)CC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000266730825 1434368731 /nfs/dbraw/zinc/36/87/31/1434368731.db2.gz KPQYIRHXIZGVBF-UHFFFAOYSA-N 0 0 377.485 3.303 20 30 GGEDRN Cc1ccc(O[C@@H](C)CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)cc1 ZINC000266737381 1434369549 /nfs/dbraw/zinc/36/95/49/1434369549.db2.gz QLBDZYXTQUCJCH-KRWDZBQOSA-N 0 0 395.459 3.200 20 30 GGEDRN COC(=O)c1ccsc1N1CC[C@@H](Nc2cccc(OCCCC#N)c2)C1=O ZINC000266749184 1434370720 /nfs/dbraw/zinc/37/07/20/1434370720.db2.gz ZTJRCAGAZHHTLJ-QGZVFWFLSA-N 0 0 399.472 3.435 20 30 GGEDRN C[C@H](CNC(=O)OC(C)(C)C)N(C)CC(=O)Nc1ccccc1SCC#N ZINC000266748626 1434370793 /nfs/dbraw/zinc/37/07/93/1434370793.db2.gz PHZJCJNTWMDOGY-CQSZACIVSA-N 0 0 392.525 3.086 20 30 GGEDRN CC[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccncc1 ZINC000266753340 1434371386 /nfs/dbraw/zinc/37/13/86/1434371386.db2.gz FWNXMWLRZZIVSI-HXUWFJFHSA-N 0 0 391.475 3.465 20 30 GGEDRN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)Nc2cccc(OCC#N)c2)n1 ZINC000266780688 1434374553 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GGEDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1CC(=O)N(CCC#N)CCC#N ZINC000266862454 1434382993 /nfs/dbraw/zinc/38/29/93/1434382993.db2.gz KQHISDCFQGUDKQ-FQEVSTJZSA-N 0 0 392.507 3.410 20 30 GGEDRN COc1cc(/C=C/C(=O)Nc2ccc(OCC(C)(C)O)cc2)ccc1OCC#N ZINC000266870169 1434383512 /nfs/dbraw/zinc/38/35/12/1434383512.db2.gz SKUXPBQLVOOUBD-VZUCSPMQSA-N 0 0 396.443 3.399 20 30 GGEDRN CCC1(CNC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)CCOCC1 ZINC000266881018 1434384912 /nfs/dbraw/zinc/38/49/12/1434384912.db2.gz PGFLCSYGMZNSDA-OAHLLOKOSA-N 0 0 389.521 3.200 20 30 GGEDRN CCN(CCC#N)[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000266885736 1434385205 /nfs/dbraw/zinc/38/52/05/1434385205.db2.gz BFNAGIYMMJYUMQ-ZDUSSCGKSA-N 0 0 387.402 3.293 20 30 GGEDRN CO[C@H](CNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)(C)C ZINC000266906430 1434387261 /nfs/dbraw/zinc/38/72/61/1434387261.db2.gz VITRDNDOOGJTFM-CZUORRHYSA-N 0 0 377.510 3.054 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)c1c(F)cccc1F ZINC000266930734 1434389693 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GGEDRN N#C[C@@H](C(=O)CN1CCSC2(CCCCC2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000267458333 1434435798 /nfs/dbraw/zinc/43/57/98/1434435798.db2.gz QKTXBHXUKOYPPC-INIZCTEOSA-N 0 0 396.516 3.263 20 30 GGEDRN CCn1nc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1C1CC1 ZINC000267466387 1434436707 /nfs/dbraw/zinc/43/67/07/1434436707.db2.gz NLAAOOLUHYZIIM-UHFFFAOYSA-N 0 0 378.480 3.002 20 30 GGEDRN CCN(CC)C(=O)COc1ccc(NC(=O)N(CC)CCC#N)cc1Cl ZINC000267467710 1434436902 /nfs/dbraw/zinc/43/69/02/1434436902.db2.gz SSWXMXCRCKQDCB-UHFFFAOYSA-N 0 0 380.876 3.355 20 30 GGEDRN COC(=O)c1cc(NC(=O)N(CCC#N)CCC(C)C)c(OC)c(OC)c1 ZINC000267475427 1434437966 /nfs/dbraw/zinc/43/79/66/1434437966.db2.gz QNLYYSTYQAEDCQ-UHFFFAOYSA-N 0 0 377.441 3.284 20 30 GGEDRN CCN(CCC#N)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000267481691 1434439174 /nfs/dbraw/zinc/43/91/74/1434439174.db2.gz YXIUMKHQAKUARN-UHFFFAOYSA-N 0 0 392.525 3.407 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(OCCCOC)c1 ZINC000267487501 1434439674 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30 GGEDRN C[C@@H](c1cccc(N[C@H]2CCN(c3sccc3C#N)C2=O)c1)N1CCOCC1 ZINC000267572084 1434446814 /nfs/dbraw/zinc/44/68/14/1434446814.db2.gz NXRHZLUIBMEACJ-KXBFYZLASA-N 0 0 396.516 3.230 20 30 GGEDRN C[C@@H](c1cccc(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1)N1CCOCC1 ZINC000267582620 1434447546 /nfs/dbraw/zinc/44/75/46/1434447546.db2.gz RHRLFKFSUWVBLK-JTSKRJEESA-N 0 0 390.487 3.169 20 30 GGEDRN N#CCOc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000267582363 1434447585 /nfs/dbraw/zinc/44/75/85/1434447585.db2.gz GWKYPNTUWMPTPQ-UHFFFAOYSA-N 0 0 377.488 3.256 20 30 GGEDRN COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000267586694 1434447842 /nfs/dbraw/zinc/44/78/42/1434447842.db2.gz HZHUTHGOJLBUBE-RDTXWAMCSA-N 0 0 386.452 3.021 20 30 GGEDRN N#Cc1cc(F)ccc1NC(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000267586680 1434447857 /nfs/dbraw/zinc/44/78/57/1434447857.db2.gz KEWIOSMIEVUTLH-GOSISDBHSA-N 0 0 382.395 3.137 20 30 GGEDRN CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(F)cc1C#N)C[C@@H]1CCCO1 ZINC000267593070 1434448346 /nfs/dbraw/zinc/44/83/46/1434448346.db2.gz VEQFMPYIVVGXSK-HNNXBMFYSA-N 0 0 377.416 3.052 20 30 GGEDRN COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000267598192 1434448796 /nfs/dbraw/zinc/44/87/96/1434448796.db2.gz LAIWNROUJJVJNB-FQEVSTJZSA-N 0 0 395.434 3.262 20 30 GGEDRN CC(C)[C@H]1OCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000267607983 1434449459 /nfs/dbraw/zinc/44/94/59/1434449459.db2.gz CCUQYHVVRBTPJE-MAUKXSAKSA-N 0 0 389.521 3.198 20 30 GGEDRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)[C@@H](C)CC#N ZINC000267607768 1434449471 /nfs/dbraw/zinc/44/94/71/1434449471.db2.gz QNOCCHPDYKWREI-NSHDSACASA-N 0 0 392.381 3.451 20 30 GGEDRN COc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCC(C#N)CC2)cc1F ZINC000267643678 1434452323 /nfs/dbraw/zinc/45/23/23/1434452323.db2.gz AJRKTMRWLPBGDV-UHFFFAOYSA-N 0 0 397.406 3.327 20 30 GGEDRN COC(=O)[C@@H](N[C@@H](C)c1cc(OC)c(OC)c(OC)c1)c1cccc(C#N)c1 ZINC000267669293 1434454269 /nfs/dbraw/zinc/45/42/69/1434454269.db2.gz JLBFLUKONKSOGV-DJJJIMSYSA-N 0 0 384.432 3.149 20 30 GGEDRN CCCS(=O)(=O)Nc1cccc(N[C@H](C(=O)OC)c2cccc(C#N)c2)c1 ZINC000267686974 1434455593 /nfs/dbraw/zinc/45/55/93/1434455593.db2.gz NHOBCVHJEOXKRM-SFHVURJKSA-N 0 0 387.461 3.036 20 30 GGEDRN CCOCCOCc1cccc(CN[C@@H](C(=O)OC)c2cccc(C#N)c2)c1 ZINC000267695158 1434455954 /nfs/dbraw/zinc/45/59/54/1434455954.db2.gz PAEOQHYMHGVFPI-OAQYLSRUSA-N 0 0 382.460 3.115 20 30 GGEDRN COC(=O)[C@]1(F)CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000267704798 1434456867 /nfs/dbraw/zinc/45/68/67/1434456867.db2.gz CCSZFDBEQOAFDR-FQEVSTJZSA-N 0 0 383.379 3.469 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000267704393 1434456901 /nfs/dbraw/zinc/45/69/01/1434456901.db2.gz HKRXAKFENMCFLJ-UHFFFAOYSA-N 0 0 399.422 3.205 20 30 GGEDRN CO[C@H](C)c1nc(CN2CCCN(C(=O)c3cc(C#N)cs3)CC2)cs1 ZINC000267705237 1434457080 /nfs/dbraw/zinc/45/70/80/1434457080.db2.gz IODQDGJSWOEVPG-CYBMUJFWSA-N 0 0 390.534 3.132 20 30 GGEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000267705210 1434457151 /nfs/dbraw/zinc/45/71/51/1434457151.db2.gz GUXNRIQBUMPNBG-UHFFFAOYSA-N 0 0 392.343 3.447 20 30 GGEDRN COC(=O)CCCOc1ccc(N[C@@H](C(=O)OC)c2cccc(C#N)c2)cc1 ZINC000267708257 1434457294 /nfs/dbraw/zinc/45/72/94/1434457294.db2.gz RPPGDLNIWIHWMS-HXUWFJFHSA-N 0 0 382.416 3.216 20 30 GGEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCOC3CCOCC3)c2)c1 ZINC000267723219 1434458546 /nfs/dbraw/zinc/45/85/46/1434458546.db2.gz CXEUZBXLQUROPC-UHFFFAOYSA-N 0 0 393.443 3.335 20 30 GGEDRN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccccc1SCCC#N ZINC000267733729 1434459512 /nfs/dbraw/zinc/45/95/12/1434459512.db2.gz HILIMSMNNQKSMJ-UHFFFAOYSA-N 0 0 393.490 3.096 20 30 GGEDRN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000267734508 1434459526 /nfs/dbraw/zinc/45/95/26/1434459526.db2.gz QFUZDTONGDLTKU-CZUORRHYSA-N 0 0 397.397 3.083 20 30 GGEDRN CC(C)[C@](C)(CNC(=O)c1cc(C#N)cs1)NC(=O)c1cc(C#N)cs1 ZINC000267759844 1434461980 /nfs/dbraw/zinc/46/19/80/1434461980.db2.gz RDYPBXGOZRUDOC-SFHVURJKSA-N 0 0 386.502 3.127 20 30 GGEDRN COCCN(C(=O)c1cc(C)c(OCC(=O)OC)c(C)c1)c1ccc(C#N)cc1 ZINC000267764892 1434462408 /nfs/dbraw/zinc/46/24/08/1434462408.db2.gz FVWGUVNCMIUVFL-UHFFFAOYSA-N 0 0 396.443 3.020 20 30 GGEDRN CC1CC(NC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000267777990 1434463639 /nfs/dbraw/zinc/46/36/39/1434463639.db2.gz VRBTVPDVTAYFHB-UHFFFAOYSA-N 0 0 377.444 3.185 20 30 GGEDRN O=C(CCNC(=O)C1N=CC=CC1=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000267785112 1434464496 /nfs/dbraw/zinc/46/44/96/1434464496.db2.gz KJMVLIMLPFEHJR-MSUUIHNZSA-N 0 0 381.354 3.037 20 30 GGEDRN Cc1ccc(C)n1C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000267787167 1434464674 /nfs/dbraw/zinc/46/46/74/1434464674.db2.gz MNEYGVCGTCHVII-UHFFFAOYSA-N 0 0 384.867 3.432 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CCc2c1cccc2O ZINC000267812725 1434467101 /nfs/dbraw/zinc/46/71/01/1434467101.db2.gz PPHXDYZDZGZGPS-CJNGLKHVSA-N 0 0 395.484 3.386 20 30 GGEDRN COCCc1nc2cc(N[C@H]3CCN(c4ccc(C#N)cc4)C3=O)ccc2o1 ZINC000267825296 1434468278 /nfs/dbraw/zinc/46/82/78/1434468278.db2.gz YTQCOJNLAODZAH-KRWDZBQOSA-N 0 0 376.416 3.106 20 30 GGEDRN N#CC1CCN(C(=O)C(=O)Nc2ccccc2COCc2ccccc2)CC1 ZINC000267831820 1434469001 /nfs/dbraw/zinc/46/90/01/1434469001.db2.gz SXXGEVGBGKXGNJ-UHFFFAOYSA-N 0 0 377.444 3.104 20 30 GGEDRN C[C@H]1CN(C(=O)c2cc(C#N)cs2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000267833647 1434469185 /nfs/dbraw/zinc/46/91/85/1434469185.db2.gz RVZCPGVBEQUGJF-ZDUSSCGKSA-N 0 0 387.892 3.189 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)N2CCc3c(F)ccc(F)c3C2)c1 ZINC000267857072 1434471218 /nfs/dbraw/zinc/47/12/18/1434471218.db2.gz GIIYUMNXSLQXFC-UHFFFAOYSA-N 0 0 399.397 3.171 20 30 GGEDRN N#CCCN(CC(F)(F)F)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000267875714 1434472908 /nfs/dbraw/zinc/47/29/08/1434472908.db2.gz MKDRIPSLYCVUKD-UHFFFAOYSA-N 0 0 380.370 3.018 20 30 GGEDRN CC(C)(C)OC(=O)CN(C(=O)c1cc(C#N)cs1)c1ccc2c(c1)OCO2 ZINC000267886869 1434474267 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C=CCN(C(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1)C1CC1 ZINC000271575459 1434836112 /nfs/dbraw/zinc/83/61/12/1434836112.db2.gz QIFNTPLNRJXHRD-UHFFFAOYSA-N 0 0 379.464 3.263 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H](OC)c2ccc(OC)cc2)c1 ZINC000271589988 1434837374 /nfs/dbraw/zinc/83/73/74/1434837374.db2.gz SYFMXHMWHFUSEP-YWZLYKJASA-N 0 0 398.459 3.091 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1ccc(COC(C)C)cc1 ZINC000271601556 1434838276 /nfs/dbraw/zinc/83/82/76/1434838276.db2.gz VEHQHECNSCGXKX-UHFFFAOYSA-N 0 0 384.436 3.151 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1sc(C(C)(C)C)nc1C ZINC000271611303 1434839006 /nfs/dbraw/zinc/83/90/06/1434839006.db2.gz WIYGXZDERDSMEE-UHFFFAOYSA-N 0 0 389.481 3.288 20 30 GGEDRN CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000271636235 1434840718 /nfs/dbraw/zinc/84/07/18/1434840718.db2.gz ZLCPJJDTEQVDSM-LQALUOEASA-N 0 0 392.525 3.294 20 30 GGEDRN N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC3(CNC(=O)C3)CC2)cc1 ZINC000271644389 1434841482 /nfs/dbraw/zinc/84/14/82/1434841482.db2.gz LNEKSNMCEMDBEJ-UHFFFAOYSA-N 0 0 388.471 3.037 20 30 GGEDRN CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(OCC#N)c1 ZINC000271654876 1434842129 /nfs/dbraw/zinc/84/21/29/1434842129.db2.gz JTXCFWIMEZZVFG-UHFFFAOYSA-N 0 0 388.445 3.032 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1cccc2c1NC(=O)CO2 ZINC000271658052 1434842514 /nfs/dbraw/zinc/84/25/14/1434842514.db2.gz WWSLCUHSBGUAQN-ZDUSSCGKSA-N 0 0 397.456 3.429 20 30 GGEDRN C[C@H]([NH2+]CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000271692065 1434844559 /nfs/dbraw/zinc/84/45/59/1434844559.db2.gz ROMBXTVLLYLOPY-KURKYZTESA-N 0 0 392.503 3.461 20 30 GGEDRN N#C[C@@H]1CSCCN1C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000271691830 1434844564 /nfs/dbraw/zinc/84/45/64/1434844564.db2.gz FLDJMLVRWCTPNM-LLVKDONJSA-N 0 0 391.855 3.210 20 30 GGEDRN C#CC[C@H](NCc1cc(OCC)n2nc(C(F)(F)F)nc2n1)c1ccccc1 ZINC000271700829 1434845044 /nfs/dbraw/zinc/84/50/44/1434845044.db2.gz MLFAEEZZKOCBRH-HNNXBMFYSA-N 0 0 389.381 3.396 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1[N+](=O)[O-] ZINC000271709148 1434845553 /nfs/dbraw/zinc/84/55/53/1434845553.db2.gz UUJIKILFSYAXKT-CYBMUJFWSA-N 0 0 380.404 3.212 20 30 GGEDRN COc1cc(-c2nnc(CN[C@H](C)c3ccc(C#N)cc3)o2)cc(OC)c1OC ZINC000271710816 1434845575 /nfs/dbraw/zinc/84/55/75/1434845575.db2.gz VTEAHYMGXCOTOS-CYBMUJFWSA-N 0 0 394.431 3.485 20 30 GGEDRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N1CCSC[C@@H]1C#N ZINC000271717871 1434845879 /nfs/dbraw/zinc/84/58/79/1434845879.db2.gz KUQZJWQMOCHUBD-ZDUSSCGKSA-N 0 0 381.461 3.353 20 30 GGEDRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCSC[C@H]1C#N)c1ccccc1 ZINC000271724555 1434846286 /nfs/dbraw/zinc/84/62/86/1434846286.db2.gz MHAOKRUGKVNILI-HZPDHXFCSA-N 0 0 375.494 3.110 20 30 GGEDRN N#C[C@H]1CSCCN1C(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F ZINC000271725715 1434846548 /nfs/dbraw/zinc/84/65/48/1434846548.db2.gz MMVNIKXSVZKMQV-FWEMWIAWSA-N 0 0 390.358 3.370 20 30 GGEDRN Cc1cc([C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C2CC2)ccc1F ZINC000271732083 1434846843 /nfs/dbraw/zinc/84/68/43/1434846843.db2.gz CIWKUVSTWCIQFM-QGZVFWFLSA-N 0 0 397.454 3.163 20 30 GGEDRN CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000271744432 1434847519 /nfs/dbraw/zinc/84/75/19/1434847519.db2.gz QQVWKWSRIFEQNE-AWEZNQCLSA-N 0 0 386.473 3.240 20 30 GGEDRN N#C[C@H]1CSCCN1C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 ZINC000271749087 1434847953 /nfs/dbraw/zinc/84/79/53/1434847953.db2.gz RYRBYHMMQWPKTN-INIZCTEOSA-N 0 0 396.497 3.449 20 30 GGEDRN CCOc1cc(C(=O)N2CCSC[C@@H]2C#N)ccc1OCc1cccnc1 ZINC000271756008 1434848289 /nfs/dbraw/zinc/84/82/89/1434848289.db2.gz NZBXJYMBKNIPOK-KRWDZBQOSA-N 0 0 383.473 3.140 20 30 GGEDRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCSC[C@H]3C#N)c12 ZINC000271760123 1434848479 /nfs/dbraw/zinc/84/84/79/1434848479.db2.gz VJKMVJIATPOIQS-GFCCVEGCSA-N 0 0 383.502 3.086 20 30 GGEDRN Cc1ccc2nc(COc3cccc(C(=O)N4CCSC[C@@H]4C#N)c3)cn2c1 ZINC000271763460 1434848751 /nfs/dbraw/zinc/84/87/51/1434848751.db2.gz VZCCVRFPSCYGPO-SFHVURJKSA-N 0 0 392.484 3.303 20 30 GGEDRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000271765374 1434848912 /nfs/dbraw/zinc/84/89/12/1434848912.db2.gz BMAGZJPULRHZSF-XOBRGWDASA-N 0 0 385.439 3.240 20 30 GGEDRN CSc1ccc(C)c(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000271775649 1434849732 /nfs/dbraw/zinc/84/97/32/1434849732.db2.gz AQUWZVPLSWPZGU-CQSZACIVSA-N 0 0 382.493 3.121 20 30 GGEDRN CO[C@@H]1[C@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1(C)C ZINC000271801947 1434851580 /nfs/dbraw/zinc/85/15/80/1434851580.db2.gz AYAAEMWCDVZRHC-UWWPHRKUSA-N 0 0 389.521 3.053 20 30 GGEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C(N)=O)C(C)(C)C)cc1 ZINC000271842590 1434854106 /nfs/dbraw/zinc/85/41/06/1434854106.db2.gz UTUWSUFJDSBTHI-GOSISDBHSA-N 0 0 396.447 3.381 20 30 GGEDRN COc1ccc([C@@H]2[C@H](C(=O)OCc3ccc(CC#N)cc3)CCC(=O)N2C)cc1 ZINC000271876027 1434856421 /nfs/dbraw/zinc/85/64/21/1434856421.db2.gz OBXOROBGWCDKJM-IFMALSPDSA-N 0 0 392.455 3.414 20 30 GGEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCCCCCCO ZINC000271878339 1434856549 /nfs/dbraw/zinc/85/65/49/1434856549.db2.gz KZXMFILHZRJFGF-UHFFFAOYSA-N 0 0 395.459 3.266 20 30 GGEDRN Cc1cnccc1CCNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000271887817 1434857348 /nfs/dbraw/zinc/85/73/48/1434857348.db2.gz VCHXVQIZKUDUTF-HNNXBMFYSA-N 0 0 382.489 3.082 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)c2cnc3scc(C)n3c2=O)cc1 ZINC000271962114 1434861966 /nfs/dbraw/zinc/86/19/66/1434861966.db2.gz UOWBHKSNAPTIMD-UHFFFAOYSA-N 0 0 382.445 3.024 20 30 GGEDRN C[C@@H](CCO)C1(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CCC1 ZINC000271969979 1434862551 /nfs/dbraw/zinc/86/25/51/1434862551.db2.gz IAZHCIXKBBXYBQ-KRWDZBQOSA-N 0 0 385.508 3.300 20 30 GGEDRN CC(C)C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CCO1 ZINC000271979043 1434863270 /nfs/dbraw/zinc/86/32/70/1434863270.db2.gz HDBFQMIDUCKEPH-HKUYNNGSSA-N 0 0 387.480 3.018 20 30 GGEDRN CC(C)C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CCO1 ZINC000271979046 1434863303 /nfs/dbraw/zinc/86/33/03/1434863303.db2.gz HDBFQMIDUCKEPH-IEBWSBKVSA-N 0 0 387.480 3.018 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H]1CCCCO1 ZINC000271987247 1434863891 /nfs/dbraw/zinc/86/38/91/1434863891.db2.gz IDIBOIZLQORQQB-MGPUTAFESA-N 0 0 393.443 3.363 20 30 GGEDRN C[C@@H]1[C@H](C)N(Cc2nnc(-c3ccc(C#N)cc3)o2)CCN1C(=O)OC(C)(C)C ZINC000271999970 1434864822 /nfs/dbraw/zinc/86/48/22/1434864822.db2.gz HETGNICGMLEORW-LSDHHAIUSA-N 0 0 397.479 3.438 20 30 GGEDRN C[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000271999964 1434864849 /nfs/dbraw/zinc/86/48/49/1434864849.db2.gz HETGNICGMLEORW-GJZGRUSLSA-N 0 0 397.479 3.438 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000272004954 1434865253 /nfs/dbraw/zinc/86/52/53/1434865253.db2.gz LBTKRDRXAWKQIB-INIZCTEOSA-N 0 0 397.406 3.065 20 30 GGEDRN Cc1cc(NC(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)nn1CCC#N ZINC000272008343 1434865391 /nfs/dbraw/zinc/86/53/91/1434865391.db2.gz AJOXAKPDZFNFMF-HNNXBMFYSA-N 0 0 386.431 3.479 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CCCCO1 ZINC000272012681 1434865859 /nfs/dbraw/zinc/86/58/59/1434865859.db2.gz MDKUPILPTNERKZ-MGPUTAFESA-N 0 0 393.443 3.363 20 30 GGEDRN CN1C(=O)C[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000272028119 1434867147 /nfs/dbraw/zinc/86/71/47/1434867147.db2.gz TXUUARCOXYYPAX-QUCCMNQESA-N 0 0 395.409 3.222 20 30 GGEDRN Cc1cc(NC(=O)NCCc2ccccc2OC(F)(F)F)nn1CCC#N ZINC000272036983 1434867929 /nfs/dbraw/zinc/86/79/29/1434867929.db2.gz FIULZPLQUCFHLP-UHFFFAOYSA-N 0 0 381.358 3.368 20 30 GGEDRN Cc1cc(NC(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)nn1CCC#N ZINC000272038327 1434868112 /nfs/dbraw/zinc/86/81/12/1434868112.db2.gz FLNVLWYYPLQWAN-QGZVFWFLSA-N 0 0 384.459 3.343 20 30 GGEDRN COc1cc(F)c([C@@H](C)NC(=O)Nc2cc(C)n(CCC#N)n2)cc1OC ZINC000272039783 1434868127 /nfs/dbraw/zinc/86/81/27/1434868127.db2.gz FRGOYHTYOKBWON-GFCCVEGCSA-N 0 0 375.404 3.144 20 30 GGEDRN CC[C@@H](C)Oc1cc(CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)ccn1 ZINC000272039827 1434868130 /nfs/dbraw/zinc/86/81/30/1434868130.db2.gz QDAWJMUGKXCFKR-GFCCVEGCSA-N 0 0 386.839 3.039 20 30 GGEDRN CCOc1cc(CNC(=O)Nc2cc(C)n(CCC#N)n2)ccc1OC(F)F ZINC000272041050 1434868317 /nfs/dbraw/zinc/86/83/17/1434868317.db2.gz FUWGGJJOCBPGHK-UHFFFAOYSA-N 0 0 393.394 3.427 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H]1CCCCO1 ZINC000272046508 1434868469 /nfs/dbraw/zinc/86/84/69/1434868469.db2.gz RBCCGSMCEYSNIV-IIAWOOMASA-N 0 0 375.494 3.093 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCOCC2)cc1F ZINC000272056514 1434869256 /nfs/dbraw/zinc/86/92/56/1434869256.db2.gz MNQWCQUIZQJCPI-OAHLLOKOSA-N 0 0 397.406 3.113 20 30 GGEDRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)Nc1cc(C)n(CCC#N)n1 ZINC000272062538 1434869686 /nfs/dbraw/zinc/86/96/86/1434869686.db2.gz JBCPSOAEMYQTDM-OAHLLOKOSA-N 0 0 392.504 3.310 20 30 GGEDRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)Nc1cc(C)n(CCC#N)n1 ZINC000272062535 1434869707 /nfs/dbraw/zinc/86/97/07/1434869707.db2.gz JBCPSOAEMYQTDM-HNNXBMFYSA-N 0 0 392.504 3.310 20 30 GGEDRN CC(C)C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)CCO1 ZINC000272067163 1434870040 /nfs/dbraw/zinc/87/00/40/1434870040.db2.gz UUFPXWMTHOKTJS-HZPDHXFCSA-N 0 0 389.521 3.341 20 30 GGEDRN CC(C)C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)CCO1 ZINC000272067167 1434870071 /nfs/dbraw/zinc/87/00/71/1434870071.db2.gz UUFPXWMTHOKTJS-JKSUJKDBSA-N 0 0 389.521 3.341 20 30 GGEDRN Cc1cc(NC(=O)NCc2c(C)nn(-c3ccccc3)c2C)nn1CCC#N ZINC000272070070 1434870232 /nfs/dbraw/zinc/87/02/32/1434870232.db2.gz KEPYBHWWZVQYIH-UHFFFAOYSA-N 0 0 377.452 3.229 20 30 GGEDRN Cc1cc(C[C@H](C)NC(=O)Nc2cc(C)n(CCC#N)n2)n(-c2ccccc2)n1 ZINC000272082530 1434870892 /nfs/dbraw/zinc/87/08/92/1434870892.db2.gz LVZDGMXKBUPBPX-HNNXBMFYSA-N 0 0 391.479 3.352 20 30 GGEDRN Cc1cc(NC(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)nn1CCC#N ZINC000272087096 1434871320 /nfs/dbraw/zinc/87/13/20/1434871320.db2.gz MMZLNHDZEDMESY-UHFFFAOYSA-N 0 0 390.488 3.064 20 30 GGEDRN CC[C@H](NC(=O)Nc1cc(C)n(CCC#N)n1)[C@@H](O)c1c(F)cccc1F ZINC000272108852 1434872810 /nfs/dbraw/zinc/87/28/10/1434872810.db2.gz PYYYMCSHAUMWHZ-WMLDXEAASA-N 0 0 377.395 3.017 20 30 GGEDRN CC[C@@H](NC(=O)Nc1cc(C)n(CCC#N)n1)[C@@H](O)c1c(F)cccc1F ZINC000272108851 1434872834 /nfs/dbraw/zinc/87/28/34/1434872834.db2.gz PYYYMCSHAUMWHZ-RHSMWYFYSA-N 0 0 377.395 3.017 20 30 GGEDRN Cc1cc(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)nn1CCC#N ZINC000272120741 1434873535 /nfs/dbraw/zinc/87/35/35/1434873535.db2.gz SEOSIRPUNPXQEN-WBVHZDCISA-N 0 0 375.379 3.035 20 30 GGEDRN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2cc(C)n(CCC#N)n2)c1 ZINC000272130831 1434873993 /nfs/dbraw/zinc/87/39/93/1434873993.db2.gz UVJXAYIGICYIEQ-IBGZPJMESA-N 0 0 397.479 3.327 20 30 GGEDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CCO1 ZINC000272145334 1434874693 /nfs/dbraw/zinc/87/46/93/1434874693.db2.gz CAOODLHIESIPGF-YOEHRIQHSA-N 0 0 377.872 3.250 20 30 GGEDRN Cc1cc(NC(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)nn1CCC#N ZINC000272155596 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CS(=O)(=O)Cc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000272192380 1434877098 /nfs/dbraw/zinc/87/70/98/1434877098.db2.gz QDTUKOKPIJWTLI-UHFFFAOYSA-N 0 0 383.517 3.179 20 30 GGEDRN N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(CCC(N)=O)CC1 ZINC000272206099 1434878047 /nfs/dbraw/zinc/87/80/47/1434878047.db2.gz QPYAIWPNCKYELU-UHFFFAOYSA-N 0 0 377.444 3.468 20 30 GGEDRN N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000272216373 1434878739 /nfs/dbraw/zinc/87/87/39/1434878739.db2.gz JUQHJRKARGFVOK-AWEZNQCLSA-N 0 0 381.440 3.411 20 30 GGEDRN CCC(CC)[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CCO1 ZINC000272218655 1434878890 /nfs/dbraw/zinc/87/88/90/1434878890.db2.gz DILACGYPTYQUBJ-PBHICJAKSA-N 0 0 377.872 3.250 20 30 GGEDRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NC[C@@H]1CCCN(CC#N)C1 ZINC000272232032 1434880148 /nfs/dbraw/zinc/88/01/48/1434880148.db2.gz RMPIONVTTPREHR-ZDUSSCGKSA-N 0 0 390.459 3.362 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)Nc1cc(C(=O)OC)cc(OC)c1OC ZINC000272245358 1434881175 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ZINC000272532599 1434904989 /nfs/dbraw/zinc/90/49/89/1434904989.db2.gz FYVPDAVAQYCNKA-LJQANCHMSA-N 0 0 381.476 3.068 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000272539774 1434905668 /nfs/dbraw/zinc/90/56/68/1434905668.db2.gz NOMJHSCLRKWBGV-MRXNPFEDSA-N 0 0 380.452 3.254 20 30 GGEDRN CCc1ccccc1NC(=O)CN1CCN(c2cc(C(C)=O)ccc2C#N)CC1 ZINC000272541691 1434906086 /nfs/dbraw/zinc/90/60/86/1434906086.db2.gz QDINPCAXXKUGAH-UHFFFAOYSA-N 0 0 390.487 3.084 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000272547991 1434906832 /nfs/dbraw/zinc/90/68/32/1434906832.db2.gz NBBBQOUGSPFWSX-HNNXBMFYSA-N 0 0 393.443 3.028 20 30 GGEDRN N#CCN1CCC[C@H](CNC(=O)c2csc(-c3ccc(F)c(F)c3)n2)C1 ZINC000272554705 1434907262 /nfs/dbraw/zinc/90/72/62/1434907262.db2.gz PWXKDELEIHFDEI-GFCCVEGCSA-N 0 0 376.432 3.054 20 30 GGEDRN N#Cc1ccc(Oc2cccc(NC(=O)C(=O)NCC[C@@H]3CCCCO3)c2)cc1 ZINC000272567742 1434908605 /nfs/dbraw/zinc/90/86/05/1434908605.db2.gz JKFHKTNJTIYBLX-SFHVURJKSA-N 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ZINC000272587597 1434911327 /nfs/dbraw/zinc/91/13/27/1434911327.db2.gz VCPVCEVCMMFIRQ-AWEZNQCLSA-N 0 0 382.420 3.088 20 30 GGEDRN COc1ccc(C(=O)N(C)C)cc1NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000272591842 1434912092 /nfs/dbraw/zinc/91/20/92/1434912092.db2.gz VWRNNTSMQJJDMV-ZDUSSCGKSA-N 0 0 382.420 3.332 20 30 GGEDRN CO/N=C/c1ccc(-c2nc([C@H]3CN(Cc4ccccc4)CCO3)no2)cc1 ZINC000272593138 1434912329 /nfs/dbraw/zinc/91/23/29/1434912329.db2.gz GDWGBHMRPQMHJD-PPRFWAEMSA-N 0 0 378.432 3.290 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](COc3ccccc3)C2)ccc1Cl ZINC000272596615 1434912747 /nfs/dbraw/zinc/91/27/47/1434912747.db2.gz NVEZHTCYLPVTBX-CQSZACIVSA-N 0 0 383.835 3.078 20 30 GGEDRN CCOCCC1(CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CCCC1 ZINC000272606979 1434914530 /nfs/dbraw/zinc/91/45/30/1434914530.db2.gz UYXDFEMBFWNWSE-INIZCTEOSA-N 0 0 387.480 3.019 20 30 GGEDRN CC(=O)c1ccc(C#N)c(NCc2cccc(OCCN3CCOCC3)c2)c1 ZINC000272611085 1434914617 /nfs/dbraw/zinc/91/46/17/1434914617.db2.gz ZIOVWXXZEQJUPM-UHFFFAOYSA-N 0 0 379.460 3.084 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000272616631 1434915698 /nfs/dbraw/zinc/91/56/98/1434915698.db2.gz WLANFTZMJTXEQY-SJORKVTESA-N 0 0 395.459 3.200 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCCO[C@H](C)c1ccccc1 ZINC000272616627 1434915739 /nfs/dbraw/zinc/91/57/39/1434915739.db2.gz WLANFTZMJTXEQY-IAGOWNOFSA-N 0 0 395.459 3.200 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](NCc3cnc([C@H]4CCCO4)s3)C2=O)cc1 ZINC000272621347 1434916337 /nfs/dbraw/zinc/91/63/37/1434916337.db2.gz WGAOLBCASVIGTD-QZTJIDSGSA-N 0 0 382.489 3.151 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000272623983 1434916676 /nfs/dbraw/zinc/91/66/76/1434916676.db2.gz XQKWFMBHERIDTD-IUODEOHRSA-N 0 0 399.834 3.209 20 30 GGEDRN CCCCOc1cccc(CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 ZINC000272626419 1434916823 /nfs/dbraw/zinc/91/68/23/1434916823.db2.gz YCOBPZKVGUDUIZ-INIZCTEOSA-N 0 0 395.459 3.411 20 30 GGEDRN CCCCOc1cccc(CNC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)c1 ZINC000272626423 1434916943 /nfs/dbraw/zinc/91/69/43/1434916943.db2.gz YCOBPZKVGUDUIZ-MRXNPFEDSA-N 0 0 395.459 3.411 20 30 GGEDRN COCCN(C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)[C@@H](C)c1ccccc1 ZINC000272632085 1434917711 /nfs/dbraw/zinc/91/77/11/1434917711.db2.gz YWBRUMVNDXPNDU-SJORKVTESA-N 0 0 395.459 3.152 20 30 GGEDRN CC[C@@H](CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)Oc1ccccc1C ZINC000272632024 1434917729 /nfs/dbraw/zinc/91/77/29/1434917729.db2.gz YUDKXXVCAXSEPP-SJORKVTESA-N 0 0 395.459 3.198 20 30 GGEDRN COc1cc(NCCNC(=O)Nc2ccccc2O[C@H](C)C#N)cc(OC)c1 ZINC000272635671 1434917996 /nfs/dbraw/zinc/91/79/96/1434917996.db2.gz CLCPUWHPJRCLQG-CQSZACIVSA-N 0 0 384.436 3.228 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000272653640 1434919914 /nfs/dbraw/zinc/91/99/14/1434919914.db2.gz QNHWMWNJZXWGBB-KRWDZBQOSA-N 0 0 396.487 3.429 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000272653645 1434920070 /nfs/dbraw/zinc/92/00/70/1434920070.db2.gz QNHWMWNJZXWGBB-QGZVFWFLSA-N 0 0 396.487 3.429 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000272654563 1434920092 /nfs/dbraw/zinc/92/00/92/1434920092.db2.gz HPNXIOBMRWJKSA-DGCLKSJQSA-N 0 0 385.342 3.079 20 30 GGEDRN CC(C)COC(=O)N1CCCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000272655992 1434920193 /nfs/dbraw/zinc/92/01/93/1434920193.db2.gz GEWOQMDIAGKYFA-INIZCTEOSA-N 0 0 388.468 3.310 20 30 GGEDRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1=O ZINC000272655492 1434920264 /nfs/dbraw/zinc/92/02/64/1434920264.db2.gz HQHFEVXSHYZBBG-HOTGVXAUSA-N 0 0 393.443 3.368 20 30 GGEDRN COc1cc(C(=O)Nc2ccccc2O[C@H](C)C#N)cc(NC(C)=O)c1OC ZINC000272658671 1434920470 /nfs/dbraw/zinc/92/04/70/1434920470.db2.gz ICVONRRJWUUZRA-GFCCVEGCSA-N 0 0 383.404 3.205 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2cnn(C3CCCCC3)c2C)c1 ZINC000272662782 1434920724 /nfs/dbraw/zinc/92/07/24/1434920724.db2.gz TUAUSACCTFIBQX-UHFFFAOYSA-N 0 0 378.476 3.389 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000272663064 1434920756 /nfs/dbraw/zinc/92/07/56/1434920756.db2.gz IBKSQQGRNSYRQH-AWEZNQCLSA-N 0 0 387.461 3.209 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(NC(=O)N(C)C)c1 ZINC000272687072 1434922610 /nfs/dbraw/zinc/92/26/10/1434922610.db2.gz PJZWEUKMDHGXNL-CQSZACIVSA-N 0 0 381.436 3.393 20 30 GGEDRN CC(C)Oc1cc(F)ccc1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000272688035 1434922959 /nfs/dbraw/zinc/92/29/59/1434922959.db2.gz WPOCARKPGBFNMS-UHFFFAOYSA-N 0 0 390.436 3.038 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000272690360 1434923151 /nfs/dbraw/zinc/92/31/51/1434923151.db2.gz NQUKXVBNWQRQMJ-CHWSQXEVSA-N 0 0 385.370 3.247 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)NC(C)(C)CNC(=O)OC(C)(C)C ZINC000272697093 1434923825 /nfs/dbraw/zinc/92/38/25/1434923825.db2.gz SDPXTWCVVBAIEK-CYBMUJFWSA-N 0 0 376.457 3.402 20 30 GGEDRN CCOc1cc(CNc2cc(C#N)ccc2OC)ccc1O[C@H](C)C(=O)N(C)C ZINC000272701054 1434924076 /nfs/dbraw/zinc/92/40/76/1434924076.db2.gz WEEOWTZSRLVEOW-OAHLLOKOSA-N 0 0 397.475 3.433 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)C[C@H](O)COCc1ccccc1 ZINC000272714733 1434925343 /nfs/dbraw/zinc/92/53/43/1434925343.db2.gz YNISWYXWPZQESC-WMZOPIPTSA-N 0 0 383.448 3.019 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000272715693 1434925426 /nfs/dbraw/zinc/92/54/26/1434925426.db2.gz YQSZQQLRDZEQMP-KRWDZBQOSA-N 0 0 389.459 3.199 20 30 GGEDRN Cc1c(C(=O)Nc2ccccc2O[C@H](C)C#N)cnn1CCO[C@H]1CCCCO1 ZINC000272739836 1434927170 /nfs/dbraw/zinc/92/71/70/1434927170.db2.gz WCXKETJRUSPMNA-QRWLVFNGSA-N 0 0 398.463 3.278 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000272756086 1434928597 /nfs/dbraw/zinc/92/85/97/1434928597.db2.gz YDUHXGZXZRWEQI-CJNGLKHVSA-N 0 0 397.406 3.085 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000272756091 1434928615 /nfs/dbraw/zinc/92/86/15/1434928615.db2.gz YDUHXGZXZRWEQI-CZUORRHYSA-N 0 0 397.406 3.085 20 30 GGEDRN COC(=O)C1(CNC(=O)c2ccccc2Oc2ccccc2C#N)CCOCC1 ZINC000272760270 1434928806 /nfs/dbraw/zinc/92/88/06/1434928806.db2.gz QEANMFWUBOFOBH-UHFFFAOYSA-N 0 0 394.427 3.050 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000272788111 1434931180 /nfs/dbraw/zinc/93/11/80/1434931180.db2.gz BNSKYSASMWINRB-CQSZACIVSA-N 0 0 393.534 3.080 20 30 GGEDRN N#CCc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000272797724 1434931724 /nfs/dbraw/zinc/93/17/24/1434931724.db2.gz YZMCOWBMAUCHDY-QGZVFWFLSA-N 0 0 387.361 3.085 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(C(F)(F)F)CC3)C2=O)cc1 ZINC000272819143 1434933512 /nfs/dbraw/zinc/93/35/12/1434933512.db2.gz OKXJTXQCGLCCRO-MRXNPFEDSA-N 0 0 394.397 3.038 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC(C(F)(F)F)CC3)C2=O)cc1 ZINC000272819139 1434933545 /nfs/dbraw/zinc/93/35/45/1434933545.db2.gz OKXJTXQCGLCCRO-INIZCTEOSA-N 0 0 394.397 3.038 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C[C@H]2CCO[C@@H](CC)C2)cc1 ZINC000272839919 1434935313 /nfs/dbraw/zinc/93/53/13/1434935313.db2.gz YOLJSPHFEKNDGL-RDJZCZTQSA-N 0 0 380.510 3.027 20 30 GGEDRN N#Cc1cccc(NC(=O)C2CCN(Cc3nnc(C4CC4)n3C3CC3)CC2)c1 ZINC000272853361 1434936236 /nfs/dbraw/zinc/93/62/36/1434936236.db2.gz OXSHMOKMVBDDMS-UHFFFAOYSA-N 0 0 390.491 3.213 20 30 GGEDRN CC(=O)c1cccc(NC(=O)[C@H](C)ON=C(N)c2ccc(NC(C)(C)C)cn2)c1 ZINC000272856191 1434936243 /nfs/dbraw/zinc/93/62/43/1434936243.db2.gz UAYVCDXDXKPMPF-AWEZNQCLSA-N 0 0 397.479 3.159 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000272869264 1434937501 /nfs/dbraw/zinc/93/75/01/1434937501.db2.gz RPKXHGMDEHPHDP-UHFFFAOYSA-N 0 0 386.473 3.011 20 30 GGEDRN Cc1cc(C2CCN(CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)n[nH]1 ZINC000272906731 1434940209 /nfs/dbraw/zinc/94/02/09/1434940209.db2.gz GXCHEQSSSQJMCO-UHFFFAOYSA-N 0 0 379.508 3.461 20 30 GGEDRN CO[C@@H](C)c1nc(CN2CCCN(c3nc4ccccn4c3C#N)CC2)cs1 ZINC000272917823 1434940984 /nfs/dbraw/zinc/94/09/84/1434940984.db2.gz PSEZUJRTGMFKHX-HNNXBMFYSA-N 0 0 396.520 3.082 20 30 GGEDRN N#Cc1cc([N+](=O)[O-])cnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272930463 1434941835 /nfs/dbraw/zinc/94/18/35/1434941835.db2.gz SIGKGCLKNBUBTN-OAHLLOKOSA-N 0 0 378.310 3.458 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1cccnc1N1CCCC1 ZINC000272945485 1434943119 /nfs/dbraw/zinc/94/31/19/1434943119.db2.gz LSDYCSVRRWPPDZ-UHFFFAOYSA-N 0 0 381.436 3.223 20 30 GGEDRN Cc1ccnc(OC2CCN(CC(=O)Nc3ccccc3SCC#N)CC2)c1 ZINC000272960645 1434944544 /nfs/dbraw/zinc/94/45/44/1434944544.db2.gz NKXYYWIRXNFMGP-UHFFFAOYSA-N 0 0 396.516 3.488 20 30 GGEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000272977425 1434945881 /nfs/dbraw/zinc/94/58/81/1434945881.db2.gz PTDWZJDZLDDOST-QGZVFWFLSA-N 0 0 395.507 3.242 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000272985708 1434947006 /nfs/dbraw/zinc/94/70/06/1434947006.db2.gz PRQLQNNDLHCSSP-MRXNPFEDSA-N 0 0 379.526 3.096 20 30 GGEDRN N#CCCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\c1cccc(Cl)c1 ZINC000272993934 1434947731 /nfs/dbraw/zinc/94/77/31/1434947731.db2.gz GCYLNXIZTSBVOM-YUCJCZDXSA-N 0 0 390.896 3.244 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000273004003 1434948906 /nfs/dbraw/zinc/94/89/06/1434948906.db2.gz TWRMGNKXSDNWPQ-UHFFFAOYSA-N 0 0 388.489 3.126 20 30 GGEDRN CC(C)OCCCCNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000273003327 1434948937 /nfs/dbraw/zinc/94/89/37/1434948937.db2.gz VWRWILMLCPFBKN-OAHLLOKOSA-N 0 0 377.510 3.341 20 30 GGEDRN CC(C)N1CCc2nc(NC(=O)/C=C/c3ccc(OCC#N)cc3)sc2C1 ZINC000273002015 1434949016 /nfs/dbraw/zinc/94/90/16/1434949016.db2.gz HQRCATZBINQHEJ-VMPITWQZSA-N 0 0 382.489 3.464 20 30 GGEDRN COc1ccc(C(=O)CCC(=O)Nc2ccc(CC#N)cc2)c(OC)c1OC ZINC000273021789 1434951219 /nfs/dbraw/zinc/95/12/19/1434951219.db2.gz DRKQXCAHLIBPPI-UHFFFAOYSA-N 0 0 382.416 3.380 20 30 GGEDRN COc1cc(/C=C/C(=O)N2Cc3ccccc3OC[C@H]2C)ccc1OCC#N ZINC000273024633 1434951516 /nfs/dbraw/zinc/95/15/16/1434951516.db2.gz SPJVAPNHQQLTAU-XAVKZTDYSA-N 0 0 378.428 3.420 20 30 GGEDRN 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ZINC000275401560 1435136986 /nfs/dbraw/zinc/13/69/86/1435136986.db2.gz AXNWJSDZLCJSAV-CQSZACIVSA-N 0 0 396.422 3.052 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)Oc1cc(C(=O)N2CCSCC2)ccc1C ZINC000275405852 1435137071 /nfs/dbraw/zinc/13/70/71/1435137071.db2.gz FMZAWQAUPSTCPD-FQEVSTJZSA-N 0 0 377.506 3.318 20 30 GGEDRN C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(COCCOCCCC)c1 ZINC000275407648 1435137298 /nfs/dbraw/zinc/13/72/98/1435137298.db2.gz KBEYEASCKUDNFN-UHFFFAOYSA-N 0 0 376.497 3.383 20 30 GGEDRN C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(OC)c(OCc2cccnc2)c1 ZINC000275407472 1435137362 /nfs/dbraw/zinc/13/73/62/1435137362.db2.gz JYBCMPHBLDVJQJ-UHFFFAOYSA-N 0 0 383.448 3.032 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 ZINC000275422810 1435138204 /nfs/dbraw/zinc/13/82/04/1435138204.db2.gz CVVJQUAKVXRNFL-XOBRGWDASA-N 0 0 378.900 3.477 20 30 GGEDRN C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(OC)c(OCc2ccncc2)c1 ZINC000275426777 1435138539 /nfs/dbraw/zinc/13/85/39/1435138539.db2.gz NTSUXQOVVYPFIY-UHFFFAOYSA-N 0 0 383.448 3.032 20 30 GGEDRN C#CCCN1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000275430333 1435138745 /nfs/dbraw/zinc/13/87/45/1435138745.db2.gz CWNACALGOCWXGG-UHFFFAOYSA-N 0 0 395.409 3.153 20 30 GGEDRN Cc1cc(NC(=O)C(=O)N[C@H](CC(C)C)c2ccccc2C)nn1CCC#N ZINC000275438753 1435139300 /nfs/dbraw/zinc/13/93/00/1435139300.db2.gz KAHGPVZRGVWNTE-GOSISDBHSA-N 0 0 381.480 3.256 20 30 GGEDRN C[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1nc2ccccc2n1C(F)F ZINC000275457345 1435140568 /nfs/dbraw/zinc/14/05/68/1435140568.db2.gz MAAYCIYOCRNEPD-CYBMUJFWSA-N 0 0 383.402 3.270 20 30 GGEDRN C#CC[C@@H](NCc1nc2oc(C)c(C(=O)OCC)c2c(N)n1)c1ccccc1 ZINC000275466138 1435141087 /nfs/dbraw/zinc/14/10/87/1435141087.db2.gz NQIHHQXILLZUFV-OAHLLOKOSA-N 0 0 378.432 3.144 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCCO[C@@H]1c1nccn1CC ZINC000275464084 1435141163 /nfs/dbraw/zinc/14/11/63/1435141163.db2.gz HRNGSWFLWBPVOX-WMZOPIPTSA-N 0 0 386.427 3.096 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)NCCCc1nnc(SC)n1C1CCCC1 ZINC000275498517 1435143792 /nfs/dbraw/zinc/14/37/92/1435143792.db2.gz SEZXXHMEGNCLHI-IBGZPJMESA-N 0 0 380.558 3.393 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(C(C)C)cc1 ZINC000275499965 1435143827 /nfs/dbraw/zinc/14/38/27/1435143827.db2.gz CAZHFPABUXLMDG-UHFFFAOYSA-N 0 0 381.432 3.284 20 30 GGEDRN C#CC[C@H](NC(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1)c1ccccc1 ZINC000275504632 1435144192 /nfs/dbraw/zinc/14/41/92/1435144192.db2.gz SRDYCKLUDACASB-QFIPXVFZSA-N 0 0 390.487 3.241 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCO[C@@H]1c1nccn1C ZINC000275512138 1435144716 /nfs/dbraw/zinc/14/47/16/1435144716.db2.gz LIBZZJGUKOTKAJ-KMFMINBZSA-N 0 0 385.493 3.324 20 30 GGEDRN C[C@H]1C(=O)CC[C@H](C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000275526245 1435145459 /nfs/dbraw/zinc/14/54/59/1435145459.db2.gz BDRPHKFDEYBYGJ-FXAWDEMLSA-N 0 0 381.520 3.234 20 30 GGEDRN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CC[C@@H](O)C(C)(C)C2)c1C#N ZINC000275544245 1435147024 /nfs/dbraw/zinc/14/70/24/1435147024.db2.gz ZMMFRTJHSGYUMK-HXUWFJFHSA-N 0 0 394.519 3.056 20 30 GGEDRN COCCCN(CCO)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000275555687 1435147814 /nfs/dbraw/zinc/14/78/14/1435147814.db2.gz DJESHPKCDHVTNI-UHFFFAOYSA-N 0 0 397.475 3.308 20 30 GGEDRN CCCCOc1ccc(OC)cc1NC(=O)C(=O)N(CCC#N)Cc1ccco1 ZINC000275556794 1435148180 /nfs/dbraw/zinc/14/81/80/1435148180.db2.gz UXEIWTYVWJCCEV-UHFFFAOYSA-N 0 0 399.447 3.348 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)ccc1Cl ZINC000275594630 1435151486 /nfs/dbraw/zinc/15/14/86/1435151486.db2.gz DWRMFEZZMYQKTL-KRWDZBQOSA-N 0 0 399.834 3.347 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000275600991 1435151769 /nfs/dbraw/zinc/15/17/69/1435151769.db2.gz FOANDFSTEAKISN-UHFFFAOYSA-N 0 0 379.416 3.465 20 30 GGEDRN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000275599164 1435151806 /nfs/dbraw/zinc/15/18/06/1435151806.db2.gz KUMILCUHJBEWMF-BJLQDIEVSA-N 0 0 381.480 3.211 20 30 GGEDRN C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC000275619070 1435153314 /nfs/dbraw/zinc/15/33/14/1435153314.db2.gz AEHLNBFZTOVSTM-AWEZNQCLSA-N 0 0 385.851 3.476 20 30 GGEDRN CC(C)(C)[C@@H](CCO)NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000275624665 1435153660 /nfs/dbraw/zinc/15/36/60/1435153660.db2.gz LUZFMQIAHJDCRG-LJQANCHMSA-N 0 0 395.459 3.202 20 30 GGEDRN CN(CC1(O)CCOCC1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000275629701 1435154392 /nfs/dbraw/zinc/15/43/92/1435154392.db2.gz LIGRKGXFEQGSJG-UHFFFAOYSA-N 0 0 381.432 3.356 20 30 GGEDRN COc1ccccc1Oc1ccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)cc1F ZINC000275641978 1435155653 /nfs/dbraw/zinc/15/56/53/1435155653.db2.gz DXCSSKSEROZJCK-ZDUSSCGKSA-N 0 0 385.395 3.183 20 30 GGEDRN COc1ccccc1Oc1ccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)cc1F ZINC000275641970 1435155736 /nfs/dbraw/zinc/15/57/36/1435155736.db2.gz DXCSSKSEROZJCK-CYBMUJFWSA-N 0 0 385.395 3.183 20 30 GGEDRN CC(C)(C)[C@H](CCO)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000275656531 1435156927 /nfs/dbraw/zinc/15/69/27/1435156927.db2.gz QLQZWBVWXCCPFB-IBGZPJMESA-N 0 0 395.459 3.202 20 30 GGEDRN COc1ccc(Sc2ccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)cc2)cc1 ZINC000275660659 1435157320 /nfs/dbraw/zinc/15/73/20/1435157320.db2.gz HWFSAFQSOOMAFZ-AWEZNQCLSA-N 0 0 383.473 3.403 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000275659224 1435157344 /nfs/dbraw/zinc/15/73/44/1435157344.db2.gz DLYXHFXXRFDSSY-ZDUSSCGKSA-N 0 0 397.456 3.287 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CC)[C@H](C)c1cccc(O)c1 ZINC000275670565 1435158352 /nfs/dbraw/zinc/15/83/52/1435158352.db2.gz JJJXZGRSWPXOMQ-CQSZACIVSA-N 0 0 381.432 3.211 20 30 GGEDRN CC(C)Oc1ncccc1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000275684917 1435159520 /nfs/dbraw/zinc/15/95/20/1435159520.db2.gz IMAAINJJHDJSGA-UHFFFAOYSA-N 0 0 382.420 3.129 20 30 GGEDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000275686958 1435159658 /nfs/dbraw/zinc/15/96/58/1435159658.db2.gz IVWKIYWGRZMQHJ-UHFFFAOYSA-N 0 0 382.439 3.139 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000275687736 1435159736 /nfs/dbraw/zinc/15/97/36/1435159736.db2.gz MBDZRZSHLGKTKU-MRXNPFEDSA-N 0 0 399.834 3.347 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000275690694 1435159848 /nfs/dbraw/zinc/15/98/48/1435159848.db2.gz MSWPJUAYEAALCI-SFHVURJKSA-N 0 0 379.416 3.002 20 30 GGEDRN CCN(CCC#N)C(=O)C(=O)Nc1cccc(OCc2cccc(OC)c2)c1C ZINC000275696249 1435160495 /nfs/dbraw/zinc/16/04/95/1435160495.db2.gz KZORIJOYAYFKSA-UHFFFAOYSA-N 0 0 395.459 3.283 20 30 GGEDRN CC1(C)Oc2ccc(NC(=O)C(=O)Nc3cccc(OCCCC#N)c3)cc2O1 ZINC000275700197 1435160932 /nfs/dbraw/zinc/16/09/32/1435160932.db2.gz KPEVWMLQLSUVHR-UHFFFAOYSA-N 0 0 395.415 3.454 20 30 GGEDRN C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000275713209 1435162093 /nfs/dbraw/zinc/16/20/93/1435162093.db2.gz QLDZXXPAQIOYDN-AWEZNQCLSA-N 0 0 385.851 3.476 20 30 GGEDRN Cc1cc(NC(=O)Nc2nnc(Cc3ccc(C)cc3)s2)nn1CCC#N ZINC000275715754 1435162255 /nfs/dbraw/zinc/16/22/55/1435162255.db2.gz HQYYLQSURYLJGG-UHFFFAOYSA-N 0 0 381.465 3.500 20 30 GGEDRN CC(C)C(C)(C)CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N ZINC000275715823 1435162335 /nfs/dbraw/zinc/16/23/35/1435162335.db2.gz HSLNRUKABQUSQZ-UHFFFAOYSA-N 0 0 380.448 3.482 20 30 GGEDRN COc1cc(/C=C/C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)ccc1OCC#N ZINC000275725430 1435163234 /nfs/dbraw/zinc/16/32/34/1435163234.db2.gz WMXSXIKTJQMUTN-IAADTXTGSA-N 0 0 393.443 3.042 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(Oc2ccccc2OC)c(F)c1 ZINC000275735118 1435163904 /nfs/dbraw/zinc/16/39/04/1435163904.db2.gz ATIATVAURUEJMV-ZDUSSCGKSA-N 0 0 385.395 3.374 20 30 GGEDRN C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cnccc1-c1ccc(C(F)(F)F)cc1 ZINC000275748236 1435165270 /nfs/dbraw/zinc/16/52/70/1435165270.db2.gz XTWZTADXMLJCRY-LBPRGKRZSA-N 0 0 390.365 3.324 20 30 GGEDRN N#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000275751042 1435165453 /nfs/dbraw/zinc/16/54/53/1435165453.db2.gz NZRMJOOOCYGHHK-PKOBYXMFSA-N 0 0 377.444 3.055 20 30 GGEDRN N#CCOc1cccc(NC(=O)C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000275751039 1435165516 /nfs/dbraw/zinc/16/55/16/1435165516.db2.gz NZRMJOOOCYGHHK-MJGOQNOKSA-N 0 0 377.444 3.055 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)NCc2nnc(SC)s2)cc1C#N ZINC000275755654 1435166017 /nfs/dbraw/zinc/16/60/17/1435166017.db2.gz LTSPHWREMPIONU-UHFFFAOYSA-N 0 0 392.466 3.022 20 30 GGEDRN CCN(CCC#N)C(=O)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000275765957 1435167060 /nfs/dbraw/zinc/16/70/60/1435167060.db2.gz VIWFTQUCNKBSML-UHFFFAOYSA-N 0 0 389.506 3.007 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)N([C@H](C)C(C)C)C2CC2)cc1C#N ZINC000275766685 1435167241 /nfs/dbraw/zinc/16/72/41/1435167241.db2.gz UGJHZIFSGIXNMH-CYBMUJFWSA-N 0 0 386.452 3.101 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1 ZINC000275773056 1435167771 /nfs/dbraw/zinc/16/77/71/1435167771.db2.gz IGLYDHALHGCXHW-SFHVURJKSA-N 0 0 395.459 3.159 20 30 GGEDRN N#CCc1ccc(C(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)cc1 ZINC000275774126 1435167980 /nfs/dbraw/zinc/16/79/80/1435167980.db2.gz XYCSDCCFOJLFSP-IBGZPJMESA-N 0 0 376.460 3.041 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c(Cl)c1 ZINC000275777359 1435168144 /nfs/dbraw/zinc/16/81/44/1435168144.db2.gz WRKDYPUZBFCBDO-MRXNPFEDSA-N 0 0 399.834 3.347 20 30 GGEDRN CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc(OCc2cccc(OC)c2)c1C ZINC000275783015 1435168734 /nfs/dbraw/zinc/16/87/34/1435168734.db2.gz JXGLSAAVRITAFG-QGZVFWFLSA-N 0 0 395.459 3.330 20 30 GGEDRN COC(=O)c1ccc(NC(=O)Nc2cc(C)n(CCC#N)n2)c(OC(F)F)c1 ZINC000275786490 1435169159 /nfs/dbraw/zinc/16/91/59/1435169159.db2.gz UOQQDDFFSDXOMS-UHFFFAOYSA-N 0 0 393.350 3.137 20 30 GGEDRN N#C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)CCO1 ZINC000275786883 1435169381 /nfs/dbraw/zinc/16/93/81/1435169381.db2.gz CRVUWBSGPMUCOW-GJZGRUSLSA-N 0 0 379.844 3.044 20 30 GGEDRN COCCOc1c(Cl)cccc1NC(=O)Nc1cc(C)n(CCC#N)n1 ZINC000275800404 1435170824 /nfs/dbraw/zinc/17/08/24/1435170824.db2.gz IJOHQQUOTFFKQK-UHFFFAOYSA-N 0 0 377.832 3.428 20 30 GGEDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000275800509 1435170825 /nfs/dbraw/zinc/17/08/25/1435170825.db2.gz YFIMOUDFNCVCKZ-UHFFFAOYSA-N 0 0 394.475 3.031 20 30 GGEDRN Cc1cc(NC(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)nn1CCC#N ZINC000275805098 1435171158 /nfs/dbraw/zinc/17/11/58/1435171158.db2.gz IWIDAYQKNRFHKE-HOTGVXAUSA-N 0 0 382.468 3.363 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(CSC)cc1 ZINC000275807863 1435171410 /nfs/dbraw/zinc/17/14/10/1435171410.db2.gz NNLOLHRBLUSOCO-UHFFFAOYSA-N 0 0 399.472 3.024 20 30 GGEDRN CCn1nc(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)cc1C1CC1 ZINC000275810460 1435171804 /nfs/dbraw/zinc/17/18/04/1435171804.db2.gz ZMCYZOCUBWHZKR-UHFFFAOYSA-N 0 0 381.436 3.040 20 30 GGEDRN Cc1cc(NC(=O)Nc2cccc(C(=O)N3CCCC3)c2C)nn1CCC#N ZINC000275814190 1435171967 /nfs/dbraw/zinc/17/19/67/1435171967.db2.gz ZAEKSJMSGOLZRV-UHFFFAOYSA-N 0 0 380.452 3.294 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000275821739 1435172514 /nfs/dbraw/zinc/17/25/14/1435172514.db2.gz FSHPGOJTSLUXCN-HNNXBMFYSA-N 0 0 393.443 3.481 20 30 GGEDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C#N)ccc1OCC ZINC000275833140 1435173559 /nfs/dbraw/zinc/17/35/59/1435173559.db2.gz GBNNYCJNSGDBPE-UHFFFAOYSA-N 0 0 381.432 3.040 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)C(=O)Nc1cc(OC)ccc1OC(C)C ZINC000275865994 1435175696 /nfs/dbraw/zinc/17/56/96/1435175696.db2.gz CAZRRENHPINSLH-UHFFFAOYSA-N 0 0 386.448 3.271 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000275876418 1435176407 /nfs/dbraw/zinc/17/64/07/1435176407.db2.gz DCZPTSHZQHWEBW-UHFFFAOYSA-N 0 0 397.475 3.004 20 30 GGEDRN CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(OCC#N)c2)C12CCCCC2 ZINC000275883866 1435177041 /nfs/dbraw/zinc/17/70/41/1435177041.db2.gz DVQXJHRJONWZEO-RTBURBONSA-N 0 0 399.491 3.114 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)C(=O)Nc1cccc2c1CN(CCC)C2 ZINC000275886247 1435177182 /nfs/dbraw/zinc/17/71/82/1435177182.db2.gz DYDOODQSUGKGQW-UHFFFAOYSA-N 0 0 381.476 3.201 20 30 GGEDRN COc1ccccc1CN(C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)C1CC1 ZINC000275899326 1435178241 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389.496 3.053 20 30 GGEDRN C#CCN(C(=O)C(=O)Nc1cccc(OCc2ccccc2OC)c1C)C1CC1 ZINC000275931582 1435180431 /nfs/dbraw/zinc/18/04/31/1435180431.db2.gz CVMJDDQZPFLTLU-UHFFFAOYSA-N 0 0 392.455 3.145 20 30 GGEDRN COCCOc1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1F ZINC000275935514 1435180834 /nfs/dbraw/zinc/18/08/34/1435180834.db2.gz WKSFDHLCDOKNSD-UHFFFAOYSA-N 0 0 399.422 3.229 20 30 GGEDRN COCCCOc1cccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 ZINC000275937317 1435180902 /nfs/dbraw/zinc/18/09/02/1435180902.db2.gz OSQRXSROTJIFBG-UHFFFAOYSA-N 0 0 395.459 3.480 20 30 GGEDRN COc1ccccc1CN(C(=O)C(=O)Nc1ccc(C#N)cc1Cl)C1CC1 ZINC000275941608 1435181361 /nfs/dbraw/zinc/18/13/61/1435181361.db2.gz ZFQARPMQOAUXRP-UHFFFAOYSA-N 0 0 383.835 3.350 20 30 GGEDRN C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1-c1ccccc1 ZINC000275959135 1435182516 /nfs/dbraw/zinc/18/25/16/1435182516.db2.gz HICNKKDYYVVMSB-OAHLLOKOSA-N 0 0 381.480 3.160 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1C#N ZINC000275974604 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GGEDRN C[C@H]1C(=O)CC[C@@H](C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1(C)C ZINC000276060501 1435188424 /nfs/dbraw/zinc/18/84/24/1435188424.db2.gz ZZPDPKTWEXJUIU-KUQKPQIMSA-N 0 0 383.492 3.401 20 30 GGEDRN C[C@H]1C(=O)CC[C@H](C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1(C)C ZINC000276060499 1435188500 /nfs/dbraw/zinc/18/85/00/1435188500.db2.gz ZZPDPKTWEXJUIU-IWCVFHTOSA-N 0 0 383.492 3.401 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)NCc1cccnc1OCC(F)F ZINC000276064715 1435188881 /nfs/dbraw/zinc/18/88/81/1435188881.db2.gz KXJDBCORKXJNNK-UHFFFAOYSA-N 0 0 391.378 3.125 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1)C1CC1 ZINC000276068601 1435189201 /nfs/dbraw/zinc/18/92/01/1435189201.db2.gz LJGSOFSSEUYRQI-UHFFFAOYSA-N 0 0 381.501 3.426 20 30 GGEDRN C=CCCN(C)C(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000276078077 1435189631 /nfs/dbraw/zinc/18/96/31/1435189631.db2.gz AVZKIMXKWIVRRG-UHFFFAOYSA-N 0 0 390.530 3.143 20 30 GGEDRN C=CCCN(C)C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000276082053 1435189802 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GGEDRN C=CCn1c(S[C@H](C(=O)OC)c2cc(OC)cc(OC)c2)nnc1C1CC1 ZINC000276096882 1435190794 /nfs/dbraw/zinc/19/07/94/1435190794.db2.gz VZTBVYKSPGXFJK-INIZCTEOSA-N 0 0 389.477 3.365 20 30 GGEDRN COCCN(CCc1ccccc1)C(=O)Nc1ncccc1OCCCC#N ZINC000276102011 1435190980 /nfs/dbraw/zinc/19/09/80/1435190980.db2.gz RYTDDYZQCGFVOV-UHFFFAOYSA-N 0 0 382.464 3.487 20 30 GGEDRN COc1ccccc1O[C@@H](C)CNC(=O)Nc1ncccc1OCCCC#N ZINC000276106682 1435191331 /nfs/dbraw/zinc/19/13/31/1435191331.db2.gz TWBMVUSXAJNWRA-HNNXBMFYSA-N 0 0 384.436 3.362 20 30 GGEDRN CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000276108836 1435191389 /nfs/dbraw/zinc/19/13/89/1435191389.db2.gz ABSMUUDYRJXXID-VGMNTSGFSA-N 0 0 385.464 3.118 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)N(CCC#N)CC(CC)CC)cc1 ZINC000276113936 1435191830 /nfs/dbraw/zinc/19/18/30/1435191830.db2.gz MELCJBYIEPBVSY-UHFFFAOYSA-N 0 0 388.468 3.372 20 30 GGEDRN COc1cccc(N2CC[C@H](NC(=O)Nc3ncccc3OCCCC#N)C2)c1 ZINC000276118416 1435192193 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GGEDRN CO[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@@H]1OC ZINC000277019788 1435252580 /nfs/dbraw/zinc/25/25/80/1435252580.db2.gz WQSVIDMWYZRUHZ-OYRHEFFESA-N 0 0 395.459 3.209 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)cc1 ZINC000277019370 1435252586 /nfs/dbraw/zinc/25/25/86/1435252586.db2.gz CILYKZJRTNRSRP-LJQANCHMSA-N 0 0 398.507 3.048 20 30 GGEDRN C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[S@@]1=O ZINC000277035926 1435254440 /nfs/dbraw/zinc/25/44/40/1435254440.db2.gz BLFPJNTVRNPPLY-PTFIGZPYSA-N 0 0 393.578 3.060 20 30 GGEDRN C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[S@]1=O ZINC000277035930 1435254468 /nfs/dbraw/zinc/25/44/68/1435254468.db2.gz BLFPJNTVRNPPLY-IYJVBRSBSA-N 0 0 393.578 3.060 20 30 GGEDRN COCCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1cccnc1 ZINC000277043277 1435255436 /nfs/dbraw/zinc/25/54/36/1435255436.db2.gz HAHCKOGFMDLYID-UHFFFAOYSA-N 0 0 386.883 3.130 20 30 GGEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)c3csc4c3CCCC4)C2=O)cc1 ZINC000277054395 1435257149 /nfs/dbraw/zinc/25/71/49/1435257149.db2.gz OBLUKVBOEOBDTK-GOSISDBHSA-N 0 0 379.485 3.029 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCc1ccc(C2CCC2)cc1 ZINC000277057322 1435257379 /nfs/dbraw/zinc/25/73/79/1435257379.db2.gz TVBDRRBXXDMRTP-OAHLLOKOSA-N 0 0 377.444 3.500 20 30 GGEDRN C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCS1(=O)=O ZINC000277058939 1435257533 /nfs/dbraw/zinc/25/75/33/1435257533.db2.gz HUKXGGCBJGUBEO-OAHLLOKOSA-N 0 0 399.472 3.391 20 30 GGEDRN C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCS1(=O)=O ZINC000277058934 1435257609 /nfs/dbraw/zinc/25/76/09/1435257609.db2.gz HUKXGGCBJGUBEO-HNNXBMFYSA-N 0 0 399.472 3.391 20 30 GGEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)C2=O)cc1 ZINC000277070008 1435258869 /nfs/dbraw/zinc/25/88/69/1435258869.db2.gz QLRFNTYWCAGYGZ-ZACQAIPSSA-N 0 0 393.409 3.144 20 30 GGEDRN CCNC(=O)C1(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCC1 ZINC000277074083 1435259333 /nfs/dbraw/zinc/25/93/33/1435259333.db2.gz RFUXTVJYXSVGHC-UHFFFAOYSA-N 0 0 397.504 3.033 20 30 GGEDRN CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)c2ccc(CC#N)cc2)cc1 ZINC000277109206 1435262762 /nfs/dbraw/zinc/26/27/62/1435262762.db2.gz RFAUCYQQEUBYOZ-UHFFFAOYSA-N 0 0 385.489 3.058 20 30 GGEDRN N#Cc1ccc(OC(F)F)c(NC(=O)Nc2cc(C3CCOCC3)[nH]n2)c1 ZINC000277130073 1435265708 /nfs/dbraw/zinc/26/57/08/1435265708.db2.gz TUGMCIHMKGLXCW-UHFFFAOYSA-N 0 0 377.351 3.421 20 30 GGEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)c4ccccc43)CC2)c1 ZINC000277132418 1435266024 /nfs/dbraw/zinc/26/60/24/1435266024.db2.gz JFORATJSRHEALG-FQEVSTJZSA-N 0 0 387.439 3.106 20 30 GGEDRN Cc1cc(NC(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)nn1CCC#N ZINC000277135732 1435266962 /nfs/dbraw/zinc/26/69/62/1435266962.db2.gz UVUNGQKDUSBOTG-WIYYLYMNSA-N 0 0 399.470 3.140 20 30 GGEDRN CC[C@@H](C)c1nnc([C@H](C)NC(=O)C=Cc2ccc(OCC#N)c(OC)c2)[nH]1 ZINC000277139452 1435267201 /nfs/dbraw/zinc/26/72/01/1435267201.db2.gz VAMJFGNPQOAMDB-QPJKDDTCSA-N 0 0 383.452 3.120 20 30 GGEDRN Cc1cc(NC(=O)N(Cc2ccc(F)cc2)C2CCOCC2)nn1CCC#N ZINC000277140500 1435267495 /nfs/dbraw/zinc/26/74/95/1435267495.db2.gz UQHPOQFDAKAAKT-UHFFFAOYSA-N 0 0 385.443 3.457 20 30 GGEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1nnc(C(F)F)s1 ZINC000277144741 1435268483 /nfs/dbraw/zinc/26/84/83/1435268483.db2.gz COXDGBDLOMGNCA-UHFFFAOYSA-N 0 0 375.408 3.160 20 30 GGEDRN O=C(c1c(F)c(F)cc(F)c1F)N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000277180368 1435274561 /nfs/dbraw/zinc/27/45/61/1435274561.db2.gz SZNGMCKKMOJSLB-UHFFFAOYSA-N 0 0 393.262 3.018 20 30 GGEDRN C[C@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC[S@@]1=O ZINC000277184991 1435275466 /nfs/dbraw/zinc/27/54/66/1435275466.db2.gz BEBYIPQARBBYNR-OQRWROFFSA-N 0 0 382.485 3.120 20 30 GGEDRN O=C(c1cc(F)c(F)c(F)c1F)N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000277217718 1435280092 /nfs/dbraw/zinc/28/00/92/1435280092.db2.gz XHNQYMUPZYHXCR-UHFFFAOYSA-N 0 0 393.262 3.018 20 30 GGEDRN C#CC[C@]1(C(=O)N(C)Cc2nccn2C(F)F)CCCN1C(=O)OC(C)(C)C ZINC000277337527 1435295577 /nfs/dbraw/zinc/29/55/77/1435295577.db2.gz GWAJFKIBTJQUGC-LJQANCHMSA-N 0 0 396.438 3.030 20 30 GGEDRN C=CCC[C@@H](NC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2)c1ccccc1 ZINC000277336418 1435295593 /nfs/dbraw/zinc/29/55/93/1435295593.db2.gz WUWXUHVVIWEEHN-FXAWDEMLSA-N 0 0 380.492 3.019 20 30 GGEDRN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000277378227 1435300404 /nfs/dbraw/zinc/30/04/04/1435300404.db2.gz CQDWRHOVTLFACE-OYEJSCKISA-N 0 0 399.491 3.364 20 30 GGEDRN CC(C)N(C)c1ccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)cc1F ZINC000277389558 1435301070 /nfs/dbraw/zinc/30/10/70/1435301070.db2.gz AJYKYNTZYNKXAH-UHFFFAOYSA-N 0 0 394.450 3.286 20 30 GGEDRN N#Cc1ccc(CN2CCCN(C(=O)c3cc4ccccc4c(=O)o3)CC2)cc1 ZINC000277394097 1435301451 /nfs/dbraw/zinc/30/14/51/1435301451.db2.gz KLMXPWKFMBXROK-UHFFFAOYSA-N 0 0 387.439 3.013 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)CC[C@H](C)NC(=O)OC(C)(C)C ZINC000277401794 1435301907 /nfs/dbraw/zinc/30/19/07/1435301907.db2.gz JXYZTOLHKXSJHS-AWEZNQCLSA-N 0 0 391.468 3.215 20 30 GGEDRN CCOc1ccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)cc1Cl ZINC000277411141 1435302819 /nfs/dbraw/zinc/30/28/19/1435302819.db2.gz CESLYEAXVHANGZ-UHFFFAOYSA-N 0 0 383.835 3.354 20 30 GGEDRN CCOc1cc(Cl)ccc1NC(=O)C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000277415482 1435303158 /nfs/dbraw/zinc/30/31/58/1435303158.db2.gz CKYYFGKGFUZJCB-UHFFFAOYSA-N 0 0 383.835 3.354 20 30 GGEDRN COc1cc(Cl)c(C)cc1NC(=O)C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000277425065 1435303693 /nfs/dbraw/zinc/30/36/93/1435303693.db2.gz DFDCGUGIZHMAJX-UHFFFAOYSA-N 0 0 383.835 3.273 20 30 GGEDRN N#Cc1cccc(C2(NC(=O)C(=O)Nc3ccccc3OCC3CC3)CC2)c1 ZINC000277422522 1435303709 /nfs/dbraw/zinc/30/37/09/1435303709.db2.gz CYRAYGRKPCGYMI-UHFFFAOYSA-N 0 0 375.428 3.091 20 30 GGEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCOCC(F)(F)C(F)F ZINC000277435347 1435304665 /nfs/dbraw/zinc/30/46/65/1435304665.db2.gz IVSPSQOTOKUFPM-UHFFFAOYSA-N 0 0 375.366 3.395 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)Nc2ccc(N3CCCCC3)nc2)c1 ZINC000277483939 1435307755 /nfs/dbraw/zinc/30/77/55/1435307755.db2.gz IZMBTENXBREBFW-UHFFFAOYSA-N 0 0 383.839 3.174 20 30 GGEDRN CC(C)n1ncc2ccc(NC(=O)C(=O)NC3(c4cccc(C#N)c4)CC3)cc21 ZINC000277488567 1435307864 /nfs/dbraw/zinc/30/78/64/1435307864.db2.gz JICFKRFBOLVDPH-UHFFFAOYSA-N 0 0 387.443 3.233 20 30 GGEDRN Cc1cc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC3)c2C)ccc1C#N ZINC000277491576 1435308022 /nfs/dbraw/zinc/30/80/22/1435308022.db2.gz CIQDIGAHMMADKL-UHFFFAOYSA-N 0 0 383.473 3.212 20 30 GGEDRN CSCCc1ccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000277517019 1435309732 /nfs/dbraw/zinc/30/97/32/1435309732.db2.gz LJONQSJYASTGFL-UHFFFAOYSA-N 0 0 379.485 3.208 20 30 GGEDRN N#Cc1ccc(CN2CCCN(C(=O)c3ccc(-c4cc[nH]n4)s3)CC2)cc1 ZINC000277516737 1435309756 /nfs/dbraw/zinc/30/97/56/1435309756.db2.gz WPGOTPKGNPOEDJ-UHFFFAOYSA-N 0 0 391.500 3.358 20 30 GGEDRN C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@@H](O)CCOCC ZINC000277521908 1435310203 /nfs/dbraw/zinc/31/02/03/1435310203.db2.gz OCVHYUKTXJFNAW-INIZCTEOSA-N 0 0 377.510 3.231 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)c(F)c1 ZINC000277532943 1435310815 /nfs/dbraw/zinc/31/08/15/1435310815.db2.gz MPYNBXWALOXCDT-UHFFFAOYSA-N 0 0 381.407 3.229 20 30 GGEDRN Cc1cc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)ccc1OC(C)C ZINC000277540898 1435311448 /nfs/dbraw/zinc/31/14/48/1435311448.db2.gz NGVMMKWZOVYFFC-UHFFFAOYSA-N 0 0 377.444 3.398 20 30 GGEDRN CC[C@]1(C)Oc2ccc(NC(=O)C(=O)NC3(c4cccc(C#N)c4)CC3)cc2O1 ZINC000277552064 1435312361 /nfs/dbraw/zinc/31/23/61/1435312361.db2.gz OIVXBUVEEQNKCY-OAQYLSRUSA-N 0 0 391.427 3.200 20 30 GGEDRN CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000277556973 1435312436 /nfs/dbraw/zinc/31/24/36/1435312436.db2.gz OXSCOCQWRHGYNL-OAHLLOKOSA-N 0 0 377.444 3.480 20 30 GGEDRN CC[C@H](C)Oc1ccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000277556970 1435312475 /nfs/dbraw/zinc/31/24/75/1435312475.db2.gz OXSCOCQWRHGYNL-HNNXBMFYSA-N 0 0 377.444 3.480 20 30 GGEDRN N#CCCCCS(=O)(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000277572027 1435313672 /nfs/dbraw/zinc/31/36/72/1435313672.db2.gz SZSNQGYIJAPZGJ-UHFFFAOYSA-N 0 0 390.427 3.012 20 30 GGEDRN Cc1cc(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)ccc1C#N ZINC000277584780 1435314467 /nfs/dbraw/zinc/31/44/67/1435314467.db2.gz UYQAQUREZCRGPV-UHFFFAOYSA-N 0 0 377.444 3.123 20 30 GGEDRN Cc1cc(NC(=O)C(=O)Nc2cccc(C#N)c2)cnc1N1CCCC[C@@H]1C ZINC000277585802 1435314484 /nfs/dbraw/zinc/31/44/84/1435314484.db2.gz RXMOTXAKOLLGGT-HNNXBMFYSA-N 0 0 377.448 3.218 20 30 GGEDRN Cc1cc(S(=O)(=O)Nc2cccc(CN3CCCCC3=O)c2)ccc1C#N ZINC000277586966 1435314489 /nfs/dbraw/zinc/31/44/89/1435314489.db2.gz LEWNZKONUJLKHC-UHFFFAOYSA-N 0 0 383.473 3.180 20 30 GGEDRN CN(C)c1c(Cl)cccc1NC(=O)C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000277592221 1435314918 /nfs/dbraw/zinc/31/49/18/1435314918.db2.gz SOERGCONXKDMGR-UHFFFAOYSA-N 0 0 382.851 3.022 20 30 GGEDRN N#Cc1ccc(-c2ccc(OCc3nnnn3CC3CCOCC3)cc2)cc1 ZINC000277597215 1435315146 /nfs/dbraw/zinc/31/51/46/1435315146.db2.gz WJPHSXFBDVUPIU-UHFFFAOYSA-N 0 0 375.432 3.217 20 30 GGEDRN C[C@@H](C(=O)Nc1ncccc1OCCCC#N)[C@H](C)NC(=O)OC(C)(C)C ZINC000277596049 1435315179 /nfs/dbraw/zinc/31/51/79/1435315179.db2.gz NZWVLYCDONEPJC-KGLIPLIRSA-N 0 0 376.457 3.252 20 30 GGEDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ncccc1OCCCC#N ZINC000277596056 1435315277 /nfs/dbraw/zinc/31/52/77/1435315277.db2.gz NZWVLYCDONEPJC-ZIAGYGMSSA-N 0 0 376.457 3.252 20 30 GGEDRN CC1(C)Cc2cc(NC(=O)C(=O)NC3(c4cccc(C#N)c4)CC3)ccc2O1 ZINC000277599884 1435315484 /nfs/dbraw/zinc/31/54/84/1435315484.db2.gz UCJORSIHSVTQQU-UHFFFAOYSA-N 0 0 375.428 3.016 20 30 GGEDRN C=CCn1c(COc2ccccc2F)nnc1SC[C@@H](O)CCOCC ZINC000277618334 1435316867 /nfs/dbraw/zinc/31/68/67/1435316867.db2.gz YRPKELWLLCXRTG-AWEZNQCLSA-N 0 0 381.473 3.062 20 30 GGEDRN CCCCCCCCOCc1cccc(NC(=O)NN2CC(=O)NC2=O)c1 ZINC000277621275 1435317036 /nfs/dbraw/zinc/31/70/36/1435317036.db2.gz CCIUTKICYNAIRI-UHFFFAOYSA-N 0 0 376.457 3.152 20 30 GGEDRN COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000277622744 1435317191 /nfs/dbraw/zinc/31/71/91/1435317191.db2.gz ANNWPRLKDOJSEP-NRFANRHFSA-N 0 0 378.472 3.090 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@]2(CCO)CCOC2)cc1F ZINC000277624580 1435317251 /nfs/dbraw/zinc/31/72/51/1435317251.db2.gz AVBQMTDRTWFNFL-FQEVSTJZSA-N 0 0 385.395 3.153 20 30 GGEDRN CC(=O)N(Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(C)c2)cc1)C1CC1 ZINC000277625798 1435317415 /nfs/dbraw/zinc/31/74/15/1435317415.db2.gz OONRTFZCBYYKKQ-UHFFFAOYSA-N 0 0 383.473 3.178 20 30 GGEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[S@@](=O)C[C@@H](C)C2)cc1 ZINC000277626130 1435317477 /nfs/dbraw/zinc/31/74/77/1435317477.db2.gz RDKMZHMZBKKWSO-KUNJGFBQSA-N 0 0 382.485 3.500 20 30 GGEDRN N#Cc1ccsc1N1CC[C@@H](N2CCC(CO)(Cc3ccccc3)CC2)C1=O ZINC000277630416 1435317641 /nfs/dbraw/zinc/31/76/41/1435317641.db2.gz BFICIVARPJXAQE-LJQANCHMSA-N 0 0 395.528 3.042 20 30 GGEDRN Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1 ZINC000277644878 1435318831 /nfs/dbraw/zinc/31/88/31/1435318831.db2.gz YICWBZZQBSSGNT-KRWDZBQOSA-N 0 0 382.420 3.095 20 30 GGEDRN COc1cc(OCC(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)ccc1C#N ZINC000277656599 1435319618 /nfs/dbraw/zinc/31/96/18/1435319618.db2.gz RHXMGQYVEOKEDO-CQSZACIVSA-N 0 0 384.432 3.149 20 30 GGEDRN N#Cc1cccc(C2(NC(=O)C(=O)Nc3ccccc3N3CCCCC3)CC2)c1 ZINC000277654950 1435319627 /nfs/dbraw/zinc/31/96/27/1435319627.db2.gz ZGRZHLSPXBBOEM-UHFFFAOYSA-N 0 0 388.471 3.293 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000277668589 1435320546 /nfs/dbraw/zinc/32/05/46/1435320546.db2.gz HHJKVHKNLYYTOC-HOTGVXAUSA-N 0 0 398.536 3.462 20 30 GGEDRN Cc1oc(NC(=O)CN2CCC(CO)(Cc3ccccc3)CC2)c(C#N)c1C ZINC000277669990 1435320789 /nfs/dbraw/zinc/32/07/89/1435320789.db2.gz FQLLHLPCLJFRQX-UHFFFAOYSA-N 0 0 381.476 3.024 20 30 GGEDRN CCS(=O)(=O)C1CCN(c2cc(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000277674869 1435321089 /nfs/dbraw/zinc/32/10/89/1435321089.db2.gz CHEBIDPHGKEWCI-UHFFFAOYSA-N 0 0 382.489 3.071 20 30 GGEDRN Cc1cc(S(=O)(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)ccc1C#N ZINC000277677803 1435321413 /nfs/dbraw/zinc/32/14/13/1435321413.db2.gz UBKMDAUOJYZIJW-UHFFFAOYSA-N 0 0 397.500 3.223 20 30 GGEDRN C[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC[S@]1=O ZINC000277686030 1435322010 /nfs/dbraw/zinc/32/20/10/1435322010.db2.gz WUYGYBMPLSKHQB-CHAGWJKLSA-N 0 0 382.485 3.120 20 30 GGEDRN C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1nccs1 ZINC000277694892 1435322534 /nfs/dbraw/zinc/32/25/34/1435322534.db2.gz HABDDIXDRAKEQC-ZDUSSCGKSA-N 0 0 389.912 3.303 20 30 GGEDRN Cc1cc(S(=O)(=O)Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)ccc1C#N ZINC000277710661 1435323676 /nfs/dbraw/zinc/32/36/76/1435323676.db2.gz WNHVUGVQNYSCLC-SFHVURJKSA-N 0 0 382.445 3.395 20 30 GGEDRN COc1ccc(-c2nnc(SCCCCC(C)(C)C#N)n2N)c(OC)c1 ZINC000277710188 1435323746 /nfs/dbraw/zinc/32/37/46/1435323746.db2.gz NJKDXZPMUQPBGC-UHFFFAOYSA-N 0 0 375.498 3.488 20 30 GGEDRN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000277713474 1435323913 /nfs/dbraw/zinc/32/39/13/1435323913.db2.gz MWMJEPGVENFZIS-OAHLLOKOSA-N 0 0 391.468 3.214 20 30 GGEDRN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277728040 1435325063 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GGEDRN C#CCn1ccc(CN(CC)C(=O)NCc2ccc(F)cc2C(F)(F)F)n1 ZINC000279248239 1435476757 /nfs/dbraw/zinc/47/67/57/1435476757.db2.gz OXWLKWIHGGTMKG-UHFFFAOYSA-N 0 0 382.361 3.406 20 30 GGEDRN C=C[C@](C)(O)CC(=O)N(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000279253374 1435477738 /nfs/dbraw/zinc/47/77/38/1435477738.db2.gz SCWVYDYVVCGVEQ-QFIPXVFZSA-N 0 0 382.460 3.028 20 30 GGEDRN CC(C)(C)C(=O)NC1CCC(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000279254505 1435478004 /nfs/dbraw/zinc/47/80/04/1435478004.db2.gz PVFWHOAHBAOXHW-UHFFFAOYSA-N 0 0 386.496 3.424 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)n1 ZINC000279259743 1435478544 /nfs/dbraw/zinc/47/85/44/1435478544.db2.gz QIVAIWFRJXGMDJ-INIZCTEOSA-N 0 0 384.480 3.135 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1 ZINC000279259633 1435478547 /nfs/dbraw/zinc/47/85/47/1435478547.db2.gz JDQDXCMYJVGKAP-KRWDZBQOSA-N 0 0 386.473 3.114 20 30 GGEDRN C[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1cccc(N2CCCC2=O)c1 ZINC000279259874 1435478551 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MDMFDJZEDMQTRH-GOEBONIOSA-N 0 0 381.501 3.477 20 30 GGEDRN C#CC[C@H](NC(=O)C(=O)Nc1nc2c(s1)C[C@H](CC)CC2)c1ccccc1 ZINC000279396833 1435494789 /nfs/dbraw/zinc/49/47/89/1435494789.db2.gz MDMFDJZEDMQTRH-ZBFHGGJFSA-N 0 0 381.501 3.477 20 30 GGEDRN CSC1(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000279409642 1435496301 /nfs/dbraw/zinc/49/63/01/1435496301.db2.gz LYHALJPNKZIXPY-UHFFFAOYSA-N 0 0 399.447 3.440 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000279413701 1435496607 /nfs/dbraw/zinc/49/66/07/1435496607.db2.gz WGLUFRHZTWTSMZ-RBUKOAKNSA-N 0 0 396.491 3.004 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(OCCOC)cc1 ZINC000279420804 1435497606 /nfs/dbraw/zinc/49/76/06/1435497606.db2.gz AJGFIQBTJWLATD-UHFFFAOYSA-N 0 0 382.460 3.255 20 30 GGEDRN CCC[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[C@H](O)c1ccccc1 ZINC000279433364 1435498857 /nfs/dbraw/zinc/49/88/57/1435498857.db2.gz BGOQQXDHERSTBZ-ZWKOTPCHSA-N 0 0 385.851 3.169 20 30 GGEDRN CCC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[C@@H](O)c1ccccc1 ZINC000279433356 1435498859 /nfs/dbraw/zinc/49/88/59/1435498859.db2.gz BGOQQXDHERSTBZ-MSOLQXFVSA-N 0 0 385.851 3.169 20 30 GGEDRN COCCOc1ccc(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)c(C)c1 ZINC000279438905 1435499437 /nfs/dbraw/zinc/49/94/37/1435499437.db2.gz REPVLTQLWJJBRP-UHFFFAOYSA-N 0 0 398.463 3.026 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000279442042 1435499989 /nfs/dbraw/zinc/49/99/89/1435499989.db2.gz BXSFNROXJWJICS-UHFFFAOYSA-N 0 0 391.471 3.122 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000279458318 1435501585 /nfs/dbraw/zinc/50/15/85/1435501585.db2.gz CKLDQOGFRFMMKG-INIZCTEOSA-N 0 0 387.505 3.183 20 30 GGEDRN Cn1nc([C@H]2CCCOC2)cc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000279469307 1435502863 /nfs/dbraw/zinc/50/28/63/1435502863.db2.gz WPCJOCZVCGBAAK-KRWDZBQOSA-N 0 0 382.464 3.374 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000279475647 1435503267 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COc1cc(CC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc(OC)c1O ZINC000279515571 1435508436 /nfs/dbraw/zinc/50/84/36/1435508436.db2.gz RAKABIFJZWSQDR-UHFFFAOYSA-N 0 0 393.361 3.139 20 30 GGEDRN C=CCCN(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1-c1nc(C)no1 ZINC000279525502 1435509696 /nfs/dbraw/zinc/50/96/96/1435509696.db2.gz YUJWYWOTSPOKDO-UHFFFAOYSA-N 0 0 382.342 3.037 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C(=O)NCCC)c1 ZINC000279529819 1435510053 /nfs/dbraw/zinc/51/00/53/1435510053.db2.gz ISKJOKZWTQASMB-UHFFFAOYSA-N 0 0 393.487 3.370 20 30 GGEDRN COc1cc(CCNC(=O)c2ccc(C(C)(C)C#N)cc2)c([N+](=O)[O-])cc1OC ZINC000279538696 1435510924 /nfs/dbraw/zinc/51/09/24/1435510924.db2.gz AENWYZKDKWQJNB-UHFFFAOYSA-N 0 0 397.431 3.386 20 30 GGEDRN C#CCCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000279537706 1435510984 /nfs/dbraw/zinc/51/09/84/1435510984.db2.gz VFWMUYACLRPLPG-NRFANRHFSA-N 0 0 385.485 3.004 20 30 GGEDRN N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000279545111 1435511809 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LQOJJAAIPUPGHQ-WBVHZDCISA-N 0 0 386.473 3.134 20 30 GGEDRN CSc1ccccc1CN(C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000279691973 1435530400 /nfs/dbraw/zinc/53/04/00/1435530400.db2.gz VDOHTSXRSUURFX-UHFFFAOYSA-N 0 0 384.505 3.434 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCO[C@@H](C(C)(C)C)C1 ZINC000279713543 1435533894 /nfs/dbraw/zinc/53/38/94/1435533894.db2.gz OJXZDLRUQZYIEW-RHSMWYFYSA-N 0 0 389.521 3.150 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCO[C@@H](C(C)(C)C)C1 ZINC000279713545 1435533974 /nfs/dbraw/zinc/53/39/74/1435533974.db2.gz OJXZDLRUQZYIEW-WMLDXEAASA-N 0 0 389.521 3.150 20 30 GGEDRN CCC[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H](O)c1ccccc1 ZINC000279718672 1435534623 /nfs/dbraw/zinc/53/46/23/1435534623.db2.gz XMURUQIYCBUVSS-PMACEKPBSA-N 0 0 393.487 3.445 20 30 GGEDRN N#Cc1ccc(CSc2ccccc2C(=O)N2CC(=O)N(C3CC3)C2)cc1 ZINC000279722960 1435534944 /nfs/dbraw/zinc/53/49/44/1435534944.db2.gz ZXOLQMLMHACYIK-UHFFFAOYSA-N 0 0 377.469 3.255 20 30 GGEDRN C#CCn1ccc(CN(CC)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000279721750 1435534971 /nfs/dbraw/zinc/53/49/71/1435534971.db2.gz LVQUKYLSZRIMSM-UHFFFAOYSA-N 0 0 379.420 3.144 20 30 GGEDRN Cc1nc2ccccc2n1C1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000279740781 1435536978 /nfs/dbraw/zinc/53/69/78/1435536978.db2.gz AQFBBTRIKMGPGF-UHFFFAOYSA-N 0 0 387.439 3.289 20 30 GGEDRN C#CCn1ccc(CN(CC)CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)n1 ZINC000279742967 1435537253 /nfs/dbraw/zinc/53/72/53/1435537253.db2.gz OZZCCKQDJOSXNJ-UHFFFAOYSA-N 0 0 394.475 3.018 20 30 GGEDRN CC(C)[C@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)c2ccccc21 ZINC000279748823 1435538035 /nfs/dbraw/zinc/53/80/35/1435538035.db2.gz SKXRZAOMCAANHO-QZTJIDSGSA-N 0 0 393.491 3.449 20 30 GGEDRN CC(=O)N1CCC[C@@H](CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000279748514 1435538064 /nfs/dbraw/zinc/53/80/64/1435538064.db2.gz CDXZESBPYVQZHP-SFHVURJKSA-N 0 0 377.444 3.339 20 30 GGEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC1(S(C)(=O)=O)CC1 ZINC000279751693 1435538417 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C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C ZINC000281586503 1435814739 /nfs/dbraw/zinc/81/47/39/1435814739.db2.gz VHOKAUYMHPSWSY-JXFKEZNVSA-N 0 0 384.480 3.074 20 30 GGEDRN CC(C)(C)c1ccc([C@H](O)CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1 ZINC000281588389 1435814749 /nfs/dbraw/zinc/81/47/49/1435814749.db2.gz NLLVQXMIENTMDW-PZJWPPBQSA-N 0 0 375.472 3.388 20 30 GGEDRN C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000281596220 1435815001 /nfs/dbraw/zinc/81/50/01/1435815001.db2.gz ZUGOYSFLPFJFBP-OAHLLOKOSA-N 0 0 387.480 3.394 20 30 GGEDRN C#CCN(CC#N)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000281599695 1435815098 /nfs/dbraw/zinc/81/50/98/1435815098.db2.gz VISSWMIBKFGPKN-GGAORHGYSA-N 0 0 385.467 3.152 20 30 GGEDRN C#C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)C(C)C ZINC000281605353 1435815266 /nfs/dbraw/zinc/81/52/66/1435815266.db2.gz SSFVJUIAAFOESV-JKSUJKDBSA-N 0 0 392.883 3.000 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(C)c1NC(=O)c1ccncc1 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IRDCDHUNGFSGDN-UHFFFAOYSA-N 0 0 383.496 3.351 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCc1ccccn1)Cc1ccncc1 ZINC000281642433 1435816793 /nfs/dbraw/zinc/81/67/93/1435816793.db2.gz WCRXPPDSBOCENE-CTNGQTDRSA-N 0 0 380.492 3.212 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000281644937 1435816854 /nfs/dbraw/zinc/81/68/54/1435816854.db2.gz YFTCYMOQKWIORH-DYVFJYSZSA-N 0 0 375.494 3.044 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCc1nc(-c2ccc(OCC)cc2)no1 ZINC000281647773 1435816936 /nfs/dbraw/zinc/81/69/36/1435816936.db2.gz YICPQSBSQMQFLX-OXJNMPFZSA-N 0 0 385.464 3.165 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CSc1nncn1-c1ccccc1CC ZINC000281648119 1435816956 /nfs/dbraw/zinc/81/69/56/1435816956.db2.gz YKBVTVQOLVIWTC-APWZRJJASA-N 0 0 386.521 3.019 20 30 GGEDRN C#C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C(C)C ZINC000281660941 1435817509 /nfs/dbraw/zinc/81/75/09/1435817509.db2.gz YMFFBWSFYKJZTJ-ZDUSSCGKSA-N 0 0 397.422 3.424 20 30 GGEDRN CC(C)(C)[C@H](CNC(=O)c1cc(C#N)cs1)NC(=O)c1cc(C#N)cs1 ZINC000281667499 1435817756 /nfs/dbraw/zinc/81/77/56/1435817756.db2.gz ORYXSECUPZKYPH-HNNXBMFYSA-N 0 0 386.502 3.127 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)c2ccc(OC)c(OCCO)c2)cc1 ZINC000281676248 1435818178 /nfs/dbraw/zinc/81/81/78/1435818178.db2.gz UFYAMGOVSDBGCR-UHFFFAOYSA-N 0 0 384.432 3.025 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000281679540 1435818321 /nfs/dbraw/zinc/81/83/21/1435818321.db2.gz ZWSPNWYGZHFKQK-WOJBJXKFSA-N 0 0 385.508 3.093 20 30 GGEDRN CCn1ncc2cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c(C)nc21 ZINC000281689130 1435818476 /nfs/dbraw/zinc/81/84/76/1435818476.db2.gz MXCJVEKXOZTZLT-UHFFFAOYSA-N 0 0 389.459 3.315 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(OC(F)F)c(OCC)c1 ZINC000281694955 1435818619 /nfs/dbraw/zinc/81/86/19/1435818619.db2.gz HWASZWRRTNBGCU-PBHICJAKSA-N 0 0 384.423 3.467 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(OCc2ccccc2OC)CC1 ZINC000281699292 1435818716 /nfs/dbraw/zinc/81/87/16/1435818716.db2.gz CJPMNATXJNLOGN-LAUBAEHRSA-N 0 0 388.508 3.367 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000281697809 1435818748 /nfs/dbraw/zinc/81/87/48/1435818748.db2.gz CGJQLEJXTBDZOT-BBRMVZONSA-N 0 0 386.418 3.230 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000281709426 1435819108 /nfs/dbraw/zinc/81/91/08/1435819108.db2.gz IRCQETYZDUPOJP-HOCLYGCPSA-N 0 0 377.510 3.227 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000281709424 1435819136 /nfs/dbraw/zinc/81/91/36/1435819136.db2.gz IRCQETYZDUPOJP-GOEBONIOSA-N 0 0 377.510 3.227 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000281714525 1435819206 /nfs/dbraw/zinc/81/92/06/1435819206.db2.gz JBGPEPVJUZPRIT-CRAIPNDOSA-N 0 0 385.489 3.154 20 30 GGEDRN N#CCOc1ccc(CNC(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1 ZINC000281711687 1435819243 /nfs/dbraw/zinc/81/92/43/1435819243.db2.gz ITQYGAGQAGETIU-WMLDXEAASA-N 0 0 375.350 3.362 20 30 GGEDRN C#CCOc1ccccc1CNC(=O)C(=O)Nc1ccccc1NC(C)(C)C ZINC000281737123 1435820052 /nfs/dbraw/zinc/82/00/52/1435820052.db2.gz ULZRHNQHQXPKCR-UHFFFAOYSA-N 0 0 379.460 3.164 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC(C)(C)c1ccc(OC)c(OC)c1 ZINC000281746261 1435820531 /nfs/dbraw/zinc/82/05/31/1435820531.db2.gz KQYCFOGHRDNPDM-HNAYVOBHSA-N 0 0 376.497 3.262 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)c2ccc(-c3nc4ccccc4s3)o2)C1=O ZINC000281750467 1435820646 /nfs/dbraw/zinc/82/06/46/1435820646.db2.gz PMXZOOSDJKCMPR-AWEZNQCLSA-N 0 0 381.457 3.415 20 30 GGEDRN CN([C@@H](CCO)c1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000281753533 1435820786 /nfs/dbraw/zinc/82/07/86/1435820786.db2.gz JERCASYAEBWGCR-KRWDZBQOSA-N 0 0 398.406 3.321 20 30 GGEDRN CC(C)(C#N)c1ccc(C(=O)N2CCC(c3nnc4n3CCCC4)CC2)cc1 ZINC000281752716 1435820788 /nfs/dbraw/zinc/82/07/88/1435820788.db2.gz ZHOGRDDCMJPKAN-UHFFFAOYSA-N 0 0 377.492 3.435 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)c2cccc3nc(-c4cccs4)[nH]c32)C1=O ZINC000281758442 1435820895 /nfs/dbraw/zinc/82/08/95/1435820895.db2.gz PVUANYVJSWJCTL-OAHLLOKOSA-N 0 0 380.473 3.150 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(-c2ccccc2)cnc1C ZINC000281759933 1435821023 /nfs/dbraw/zinc/82/10/23/1435821023.db2.gz LIDWOCMVOXNOOJ-FXAWDEMLSA-N 0 0 379.460 3.093 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(-c2ccccc2)cnc1C ZINC000281759935 1435821072 /nfs/dbraw/zinc/82/10/72/1435821072.db2.gz LIDWOCMVOXNOOJ-PXNSSMCTSA-N 0 0 379.460 3.093 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC1(c2ccc(OC)cc2)CCOCC1 ZINC000281779805 1435821788 /nfs/dbraw/zinc/82/17/88/1435821788.db2.gz MKUCAWQJTRWFMS-YLJYHZDGSA-N 0 0 388.508 3.024 20 30 GGEDRN COc1cc(CNc2ccc(CC(=O)N3CCSCC3)cc2)ccc1C#N ZINC000281788224 1435822007 /nfs/dbraw/zinc/82/20/07/1435822007.db2.gz UHQHZKYIFKTUHD-UHFFFAOYSA-N 0 0 381.501 3.297 20 30 GGEDRN CCOC(=O)[C@]1(COC)CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000281813117 1435822911 /nfs/dbraw/zinc/82/29/11/1435822911.db2.gz 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GGEDRN CSc1ccccc1[C@@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000282647202 1435855083 /nfs/dbraw/zinc/85/50/83/1435855083.db2.gz DIZRWZWNLJXRRD-LSDHHAIUSA-N 0 0 396.520 3.051 20 30 GGEDRN C=CCn1c(-c2cccn2C)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000282653945 1435855310 /nfs/dbraw/zinc/85/53/10/1435855310.db2.gz QRAGTUZBCDSDCF-SFHVURJKSA-N 0 0 385.512 3.024 20 30 GGEDRN C=CCn1c(Cc2ccccn2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000282663541 1435855599 /nfs/dbraw/zinc/85/55/99/1435855599.db2.gz RKAZNPDPKKHDKH-SFHVURJKSA-N 0 0 375.476 3.452 20 30 GGEDRN C=CCn1c(CCCc2ccccc2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC000282663559 1435855635 /nfs/dbraw/zinc/85/56/35/1435855635.db2.gz RKJAEZVMVPJDIT-UHFFFAOYSA-N 0 0 395.551 3.380 20 30 GGEDRN C=CCn1c(-c2cnn(C)c2)nnc1N1CCC(c2cccc(OC)c2)CC1 ZINC000282667294 1435855738 /nfs/dbraw/zinc/85/57/38/1435855738.db2.gz RSJNLOGVUMPUPQ-UHFFFAOYSA-N 0 0 378.480 3.257 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCCC)CC1 ZINC000282670142 1435855884 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C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](COCC)C1 ZINC000282704297 1435857121 /nfs/dbraw/zinc/85/71/21/1435857121.db2.gz VFEGAZCSLHRXJN-GOSISDBHSA-N 0 0 381.480 3.168 20 30 GGEDRN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000282707343 1435857228 /nfs/dbraw/zinc/85/72/28/1435857228.db2.gz ALAVUHOJEHUTFL-QGZVFWFLSA-N 0 0 383.496 3.474 20 30 GGEDRN C=CCn1c(-c2ccccn2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000282708395 1435857283 /nfs/dbraw/zinc/85/72/83/1435857283.db2.gz VMIXJBWAEILJGJ-INIZCTEOSA-N 0 0 398.511 3.219 20 30 GGEDRN C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC000282708662 1435857406 /nfs/dbraw/zinc/85/74/06/1435857406.db2.gz VMWDBVKMCWETSH-VGSWGCGISA-N 0 0 397.523 3.183 20 30 GGEDRN C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000282710382 1435857410 /nfs/dbraw/zinc/85/74/10/1435857410.db2.gz VPNQSPIZEZYIRP-AWEZNQCLSA-N 0 0 382.434 3.170 20 30 GGEDRN CC(C)(C)n1ncnc1CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000282717204 1435857585 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CCn1c(C2CCC2)nnc1N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000282730804 1435858167 /nfs/dbraw/zinc/85/81/67/1435858167.db2.gz IJSOFARFXQDICF-UHFFFAOYSA-N 0 0 393.451 3.012 20 30 GGEDRN CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC)CCO1 ZINC000282737016 1435858488 /nfs/dbraw/zinc/85/84/88/1435858488.db2.gz DBUIGRBPGVVTHF-IBGZPJMESA-N 0 0 383.496 3.249 20 30 GGEDRN C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC(C)CC1 ZINC000282749602 1435858943 /nfs/dbraw/zinc/85/89/43/1435858943.db2.gz BAYMHCUCVRZCRN-UHFFFAOYSA-N 0 0 378.480 3.004 20 30 GGEDRN C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC000282751815 1435859044 /nfs/dbraw/zinc/85/90/44/1435859044.db2.gz YXUCQCLMVKWZCR-IBGZPJMESA-N 0 0 397.523 3.012 20 30 GGEDRN CSc1ccccc1[C@@H](C)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000282750732 1435859058 /nfs/dbraw/zinc/85/90/58/1435859058.db2.gz GDIPHVMPVYTSSC-OAHLLOKOSA-N 0 0 381.505 3.268 20 30 GGEDRN C=C(C)Cn1c(-c2ccccc2F)nnc1N(C)Cc1ncnn1CC(F)F ZINC000282752567 1435859066 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C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)NCCC)CC1 ZINC000283285583 1435882790 /nfs/dbraw/zinc/88/27/90/1435882790.db2.gz NXCDIARMXFAIMQ-UHFFFAOYSA-N 0 0 399.514 3.327 20 30 GGEDRN C=CCCCCCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCOC1 ZINC000283293640 1435883233 /nfs/dbraw/zinc/88/32/33/1435883233.db2.gz HFOPWNSXQBYHOG-LJQANCHMSA-N 0 0 386.544 3.359 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC000283297783 1435883293 /nfs/dbraw/zinc/88/32/93/1435883293.db2.gz OPUNUHPEFISJFJ-UHFFFAOYSA-N 0 0 392.507 3.134 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](COCCOC)C1 ZINC000283297882 1435883328 /nfs/dbraw/zinc/88/33/28/1435883328.db2.gz OQJAXHFSPBKYAC-OAHLLOKOSA-N 0 0 391.903 3.059 20 30 GGEDRN C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCOC2)CC1 ZINC000283301340 1435883487 /nfs/dbraw/zinc/88/34/87/1435883487.db2.gz HQORIUIWCZOYND-QGZVFWFLSA-N 0 0 384.480 3.059 20 30 GGEDRN C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)C[C@H](C)C#N ZINC000283304432 1435883575 /nfs/dbraw/zinc/88/35/75/1435883575.db2.gz PGGDZEZWPZDEIK-CQSZACIVSA-N 0 0 385.468 3.143 20 30 GGEDRN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC000283304091 1435883577 /nfs/dbraw/zinc/88/35/77/1435883577.db2.gz HKRYBHVHCBFHPI-KRWDZBQOSA-N 0 0 395.507 3.247 20 30 GGEDRN N#Cc1ccc(OCc2nnc(N3CCC4(CCC4)C3)n2C[C@@H]2CCOC2)cc1 ZINC000283312807 1435883882 /nfs/dbraw/zinc/88/38/82/1435883882.db2.gz IHJQOCHBWUQUOZ-SFHVURJKSA-N 0 0 393.491 3.146 20 30 GGEDRN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC000283312804 1435883916 /nfs/dbraw/zinc/88/39/16/1435883916.db2.gz PSJKGYQGFFDTTG-IBGZPJMESA-N 0 0 377.496 3.336 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)[C@H]2CCC(=O)c3ccccc32)CC1 ZINC000283320640 1435884270 /nfs/dbraw/zinc/88/42/70/1435884270.db2.gz DZCJHTUJPZYIAT-KRWDZBQOSA-N 0 0 377.419 3.106 20 30 GGEDRN C=C(C)Cn1c(C)nnc1N1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000283321656 1435884281 /nfs/dbraw/zinc/88/42/81/1435884281.db2.gz QGAHLDCACRHRAN-CQSZACIVSA-N 0 0 399.524 3.157 20 30 GGEDRN C=C(C)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC000283322228 1435884342 /nfs/dbraw/zinc/88/43/42/1435884342.db2.gz QHLFRTMTHOFBCE-INIZCTEOSA-N 0 0 386.471 3.435 20 30 GGEDRN CCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 ZINC000283324771 1435884369 /nfs/dbraw/zinc/88/43/69/1435884369.db2.gz JANPAJOGWYSKGR-LJQANCHMSA-N 0 0 395.507 3.392 20 30 GGEDRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCOC2)c1 ZINC000283324762 1435884383 /nfs/dbraw/zinc/88/43/83/1435884383.db2.gz JALRASOFWFGZBQ-QZTJIDSGSA-N 0 0 383.496 3.106 20 30 GGEDRN CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CCS1 ZINC000283328219 1435884518 /nfs/dbraw/zinc/88/45/18/1435884518.db2.gz JHWPROGXJXDELN-INIZCTEOSA-N 0 0 383.521 3.185 20 30 GGEDRN CC1(C#N)CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCO2)CC1 ZINC000283326881 1435884520 /nfs/dbraw/zinc/88/45/20/1435884520.db2.gz INFDPTXEOYMLTC-KRWDZBQOSA-N 0 0 383.471 3.317 20 30 GGEDRN CC1(C#N)CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCO2)CC1 ZINC000283326885 1435884531 /nfs/dbraw/zinc/88/45/31/1435884531.db2.gz INFDPTXEOYMLTC-QGZVFWFLSA-N 0 0 383.471 3.317 20 30 GGEDRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCCO1 ZINC000283332494 1435884704 /nfs/dbraw/zinc/88/47/04/1435884704.db2.gz IUSFRVRUCXAYQV-BZUAXINKSA-N 0 0 387.459 3.332 20 30 GGEDRN C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCO1 ZINC000283332504 1435884717 /nfs/dbraw/zinc/88/47/17/1435884717.db2.gz IUSFRVRUCXAYQV-OWCLPIDISA-N 0 0 387.459 3.332 20 30 GGEDRN C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC000283335802 1435884822 /nfs/dbraw/zinc/88/48/22/1435884822.db2.gz REPIJYCYTZDMIQ-CQSZACIVSA-N 0 0 397.508 3.198 20 30 GGEDRN CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 ZINC000283341249 1435885031 /nfs/dbraw/zinc/88/50/31/1435885031.db2.gz JFHKCVKIINTPPF-IBGZPJMESA-N 0 0 381.480 3.144 20 30 GGEDRN CC1(C#N)CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCO2)CC1 ZINC000283341219 1435885094 /nfs/dbraw/zinc/88/50/94/1435885094.db2.gz JEYHDZPKFKIYFD-IBGZPJMESA-N 0 0 395.507 3.209 20 30 GGEDRN CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)cnc4ccccc43)CC2)n1C ZINC000283343088 1435885224 /nfs/dbraw/zinc/88/52/24/1435885224.db2.gz AOITXKBSLFYTEL-OAHLLOKOSA-N 0 0 375.480 3.075 20 30 GGEDRN CC[C@H](C)c1nnc(N2CCN(c3c(C#N)cnc4ccccc43)CC2)n1C ZINC000283343082 1435885227 /nfs/dbraw/zinc/88/52/27/1435885227.db2.gz AOITXKBSLFYTEL-HNNXBMFYSA-N 0 0 375.480 3.075 20 30 GGEDRN COc1cc(C=CC(=O)N2CCC[C@@H](c3cc(C)n[nH]3)C2)ccc1OCC#N ZINC000283350057 1435885481 /nfs/dbraw/zinc/88/54/81/1435885481.db2.gz POCOUYWZYPSTNF-DBWMJRBXSA-N 0 0 380.448 3.049 20 30 GGEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C)(C)C1 ZINC000283349691 1435885516 /nfs/dbraw/zinc/88/55/16/1435885516.db2.gz RXUHIAXYTPVIOT-UHFFFAOYSA-N 0 0 381.528 3.265 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@@H](C)C(=O)NC ZINC000283352062 1435885677 /nfs/dbraw/zinc/88/56/77/1435885677.db2.gz SENJYHAKZVKQQJ-CYBMUJFWSA-N 0 0 391.903 3.002 20 30 GGEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC000283357930 1435885891 /nfs/dbraw/zinc/88/58/91/1435885891.db2.gz SQRSQQPDHYSBDA-HDICACEKSA-N 0 0 393.539 3.120 20 30 GGEDRN CC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)C1 ZINC000283360487 1435885914 /nfs/dbraw/zinc/88/59/14/1435885914.db2.gz LHCMCODYCCVYFI-AEFFLSMTSA-N 0 0 381.480 3.002 20 30 GGEDRN C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCO2)CC1 ZINC000283363546 1435886129 /nfs/dbraw/zinc/88/61/29/1435886129.db2.gz KEOZEZNZEYDQEP-QGZVFWFLSA-N 0 0 384.480 3.201 20 30 GGEDRN CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000283368410 1435886384 /nfs/dbraw/zinc/88/63/84/1435886384.db2.gz LVIGITWCESRTSA-HXUWFJFHSA-N 0 0 398.470 3.361 20 30 GGEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCSC(C)(C)C1 ZINC000283367760 1435886413 /nfs/dbraw/zinc/88/64/13/1435886413.db2.gz UEDRMRKMJCNXPK-UHFFFAOYSA-N 0 0 391.566 3.178 20 30 GGEDRN C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2ncc(C)s2)CC1 ZINC000283371210 1435886483 /nfs/dbraw/zinc/88/64/83/1435886483.db2.gz UKNCORPTTNPGIX-UHFFFAOYSA-N 0 0 388.541 3.141 20 30 GGEDRN CC[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCO1 ZINC000283369885 1435886492 /nfs/dbraw/zinc/88/64/92/1435886492.db2.gz KOEGMYXHLQURMV-IEBWSBKVSA-N 0 0 394.523 3.169 20 30 GGEDRN CC1(C#N)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCO2)CC1 ZINC000283369762 1435886530 /nfs/dbraw/zinc/88/65/30/1435886530.db2.gz KMFGDOFVYDZQAY-HNNXBMFYSA-N 0 0 386.887 3.303 20 30 GGEDRN CC[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCCO1 ZINC000283369883 1435886545 /nfs/dbraw/zinc/88/65/45/1435886545.db2.gz KOEGMYXHLQURMV-HKUYNNGSSA-N 0 0 394.523 3.169 20 30 GGEDRN CC1(C#N)CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCO2)CC1 ZINC000283373182 1435886634 /nfs/dbraw/zinc/88/66/34/1435886634.db2.gz KRFMFQXRFYTHEA-MRXNPFEDSA-N 0 0 399.470 3.305 20 30 GGEDRN C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC000283381713 1435887081 /nfs/dbraw/zinc/88/70/81/1435887081.db2.gz VDKGVWQPVRDCJJ-UHFFFAOYSA-N 0 0 385.487 3.401 20 30 GGEDRN C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC000283386463 1435887302 /nfs/dbraw/zinc/88/73/02/1435887302.db2.gz VLCMSDSXTFQHEB-NRFANRHFSA-N 0 0 395.551 3.382 20 30 GGEDRN COc1cc(/C=C/C(=O)N2C[C@H](OC)Cc3ccccc32)ccc1OCC#N ZINC000283386355 1435887338 /nfs/dbraw/zinc/88/73/38/1435887338.db2.gz UBWPZHBEURVWSM-XSFOEPMVSA-N 0 0 378.428 3.215 20 30 GGEDRN C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC000283390685 1435887486 /nfs/dbraw/zinc/88/74/86/1435887486.db2.gz VUMRCDCBPJEYOT-KRWDZBQOSA-N 0 0 391.475 3.469 20 30 GGEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000283392353 1435887558 /nfs/dbraw/zinc/88/75/58/1435887558.db2.gz VWRPZMHWUUHHDB-MRXNPFEDSA-N 0 0 398.511 3.267 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CCN(c2cccnn2)CC1 ZINC000283392307 1435887619 /nfs/dbraw/zinc/88/76/19/1435887619.db2.gz VVFKPQWIIULCOT-UHFFFAOYSA-N 0 0 381.509 3.008 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(N2CCNC2=O)CC1 ZINC000283417449 1435888929 /nfs/dbraw/zinc/88/89/29/1435888929.db2.gz XJHFCLGCFPMPRD-UHFFFAOYSA-N 0 0 394.523 3.078 20 30 GGEDRN C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCOC1 ZINC000283419487 1435889025 /nfs/dbraw/zinc/88/90/25/1435889025.db2.gz XLHBYQWPWUWZQL-SFHVURJKSA-N 0 0 381.480 3.168 20 30 GGEDRN C=CCn1c(-c2cccnc2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000283424566 1435889184 /nfs/dbraw/zinc/88/91/84/1435889184.db2.gz GVZPLRVBJLIRGV-OAHLLOKOSA-N 0 0 394.445 3.237 20 30 GGEDRN CC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)C1 ZINC000283427663 1435889281 /nfs/dbraw/zinc/88/92/81/1435889281.db2.gz PUWANDOLGIXFQI-KRWDZBQOSA-N 0 0 381.480 3.002 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)[C@@H](C)C1 ZINC000283425713 1435889311 /nfs/dbraw/zinc/88/93/11/1435889311.db2.gz XWZGEIATKRWXPI-YJBOKZPZSA-N 0 0 379.464 3.028 20 30 GGEDRN CN(CCC#N)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000283432842 1435889605 /nfs/dbraw/zinc/88/96/05/1435889605.db2.gz YJHMDMYEOPKWHX-UHFFFAOYSA-N 0 0 395.353 3.373 20 30 GGEDRN C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1nccs1 ZINC000283435054 1435889650 /nfs/dbraw/zinc/88/96/50/1435889650.db2.gz YNSVKTZMGYJKQX-INIZCTEOSA-N 0 0 383.477 3.460 20 30 GGEDRN C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)CCCOC ZINC000283435003 1435889691 /nfs/dbraw/zinc/88/96/91/1435889691.db2.gz YNQBDCMQQWLKJY-UHFFFAOYSA-N 0 0 390.484 3.020 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 ZINC000283439808 1435889931 /nfs/dbraw/zinc/88/99/31/1435889931.db2.gz YSYGELKWMSWNLQ-QGZVFWFLSA-N 0 0 397.479 3.046 20 30 GGEDRN CCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCO2)cc1OC ZINC000283440336 1435889961 /nfs/dbraw/zinc/88/99/61/1435889961.db2.gz NTQFYTBLMMGDOD-WBVHZDCISA-N 0 0 399.495 3.127 20 30 GGEDRN CCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCO2)cc1OC ZINC000283440328 1435889983 /nfs/dbraw/zinc/88/99/83/1435889983.db2.gz NTQFYTBLMMGDOD-DOTOQJQBSA-N 0 0 399.495 3.127 20 30 GGEDRN C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000283442191 1435890019 /nfs/dbraw/zinc/89/00/19/1435890019.db2.gz YWNGCSYKHSCOKT-SJLPKXTDSA-N 0 0 398.507 3.089 20 30 GGEDRN C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000283442245 1435890054 /nfs/dbraw/zinc/89/00/54/1435890054.db2.gz YXTQOROLRAMNLO-IEBWSBKVSA-N 0 0 398.507 3.206 20 30 GGEDRN C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c(F)c1 ZINC000283447029 1435890128 /nfs/dbraw/zinc/89/01/28/1435890128.db2.gz ZDPHGAGXFRGABK-KXBFYZLASA-N 0 0 398.409 3.169 20 30 GGEDRN C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)c(F)c1 ZINC000283447015 1435890165 /nfs/dbraw/zinc/89/01/65/1435890165.db2.gz ZDPHGAGXFRGABK-BEFAXECRSA-N 0 0 398.409 3.169 20 30 GGEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@@H](CC)C1 ZINC000283450163 1435890389 /nfs/dbraw/zinc/89/03/89/1435890389.db2.gz ZMBLJHAZGRFIQZ-AWEZNQCLSA-N 0 0 391.566 3.178 20 30 GGEDRN Cc1cccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)n1 ZINC000283452823 1435890551 /nfs/dbraw/zinc/89/05/51/1435890551.db2.gz REXBSQKEWITYPP-IBGZPJMESA-N 0 0 388.475 3.193 20 30 GGEDRN C=C(C)CN(CC)C(=O)[C@H](C)SCc1noc(CNC(=O)OC(C)(C)C)n1 ZINC000283454501 1435890663 /nfs/dbraw/zinc/89/06/63/1435890663.db2.gz IOVWOOMPCIDYMM-ZDUSSCGKSA-N 0 0 398.529 3.141 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C ZINC000283460349 1435890917 /nfs/dbraw/zinc/89/09/17/1435890917.db2.gz AHWUEHWCRHLSEN-OXJNMPFZSA-N 0 0 397.450 3.232 20 30 GGEDRN Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)o1 ZINC000283467147 1435891248 /nfs/dbraw/zinc/89/12/48/1435891248.db2.gz SBODHEWYYVKUTF-QGZVFWFLSA-N 0 0 377.448 3.391 20 30 GGEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 ZINC000283472071 1435891483 /nfs/dbraw/zinc/89/14/83/1435891483.db2.gz BHXNLMAPDCUMAW-UHFFFAOYSA-N 0 0 395.536 3.316 20 30 GGEDRN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC000283475551 1435891585 /nfs/dbraw/zinc/89/15/85/1435891585.db2.gz BQDNWFKURPYASZ-LJQANCHMSA-N 0 0 379.508 3.159 20 30 GGEDRN C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C(N)=O)CC1 ZINC000283478811 1435891650 /nfs/dbraw/zinc/89/16/50/1435891650.db2.gz BXFFWLMKNSOEDA-KRWDZBQOSA-N 0 0 397.523 3.313 20 30 GGEDRN CC1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)C1 ZINC000283481772 1435891881 /nfs/dbraw/zinc/89/18/81/1435891881.db2.gz TYMNQEZMFJDOPH-SFHVURJKSA-N 0 0 395.507 3.392 20 30 GGEDRN C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(C1)CCOCC2 ZINC000283482321 1435891884 /nfs/dbraw/zinc/89/18/84/1435891884.db2.gz CECSNGJJWUPABX-UHFFFAOYSA-N 0 0 383.452 3.436 20 30 GGEDRN CC[C@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CCO1 ZINC000283504203 1435892898 /nfs/dbraw/zinc/89/28/98/1435892898.db2.gz QXZKYMOCSVDJHK-WIYYLYMNSA-N 0 0 381.480 3.001 20 30 GGEDRN Cc1ccc(C2=NO[C@H](CNC(=O)Cc3ccc(OCC#N)cc3)C2)cc1C ZINC000283504444 1435892946 /nfs/dbraw/zinc/89/29/46/1435892946.db2.gz KMUDYZSJILJOAH-FQEVSTJZSA-N 0 0 377.444 3.058 20 30 GGEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000283505714 1435893105 /nfs/dbraw/zinc/89/31/05/1435893105.db2.gz DZLFWFJDTLVEJL-KDURUIRLSA-N 0 0 393.539 3.265 20 30 GGEDRN C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2ccccc2)CC1 ZINC000283510354 1435893152 /nfs/dbraw/zinc/89/31/52/1435893152.db2.gz FILVDQBKRAEQQM-UHFFFAOYSA-N 0 0 395.507 3.092 20 30 GGEDRN C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC000283512299 1435893302 /nfs/dbraw/zinc/89/33/02/1435893302.db2.gz FMHQTHZJOHSBKQ-SIKLNZKXSA-N 0 0 382.508 3.392 20 30 GGEDRN Fc1ccc(NCc2nnnn2CC(F)(F)F)c(OCCC(F)(F)F)c1 ZINC000283521080 1435893767 /nfs/dbraw/zinc/89/37/67/1435893767.db2.gz NBVBIKSNKXWSKA-UHFFFAOYSA-N 0 0 387.259 3.318 20 30 GGEDRN COc1ccc(CN(C(=O)C(=O)NCc2cccc(C#N)c2)[C@H](C)C2CC2)cc1 ZINC000283521505 1435893778 /nfs/dbraw/zinc/89/37/78/1435893778.db2.gz CLMADJLNFZOHOO-MRXNPFEDSA-N 0 0 391.471 3.010 20 30 GGEDRN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H](C)c1nccs1 ZINC000283524265 1435893804 /nfs/dbraw/zinc/89/38/04/1435893804.db2.gz GFPXPEKVIROUFB-AWEZNQCLSA-N 0 0 385.541 3.412 20 30 GGEDRN C=C(C)Cn1c(C2CC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000283527575 1435893976 /nfs/dbraw/zinc/89/39/76/1435893976.db2.gz GMSYVKFWFCLHTA-HNNXBMFYSA-N 0 0 375.517 3.425 20 30 GGEDRN CC(C)Oc1cccc([C@@H](C)NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000283526581 1435893997 /nfs/dbraw/zinc/89/39/97/1435893997.db2.gz CWMVIYFJGDKKBV-HZPDHXFCSA-N 0 0 379.460 3.400 20 30 GGEDRN C=CCn1c([C@H](C)OCCOC)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000283530955 1435894175 /nfs/dbraw/zinc/89/41/75/1435894175.db2.gz OGKVXNKPTXYYCK-FUHWJXTLSA-N 0 0 388.487 3.396 20 30 GGEDRN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000283535133 1435894304 /nfs/dbraw/zinc/89/43/04/1435894304.db2.gz SKXWXXHXIWSFRM-HOIFWPIMSA-N 0 0 395.507 3.245 20 30 GGEDRN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(OCCOC)CC1 ZINC000283555772 1435895175 /nfs/dbraw/zinc/89/51/75/1435895175.db2.gz IMPCZCJMCUZQEC-UHFFFAOYSA-N 0 0 388.487 3.216 20 30 GGEDRN C[C@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCOC1 ZINC000283555860 1435895192 /nfs/dbraw/zinc/89/51/92/1435895192.db2.gz YUNMUEWQKKLMCK-HZPDHXFCSA-N 0 0 376.464 3.126 20 30 GGEDRN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](OCCC(C)C)C1 ZINC000283565067 1435895717 /nfs/dbraw/zinc/89/57/17/1435895717.db2.gz JBJMMWGPEQXYSI-LJQANCHMSA-N 0 0 386.544 3.357 20 30 GGEDRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCOC1 ZINC000283567442 1435895834 /nfs/dbraw/zinc/89/58/34/1435895834.db2.gz ZQFBKOBXGNFEQE-BZUAXINKSA-N 0 0 387.459 3.190 20 30 GGEDRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCOC1 ZINC000283567445 1435895840 /nfs/dbraw/zinc/89/58/40/1435895840.db2.gz ZQFBKOBXGNFEQE-OAGGEKHMSA-N 0 0 387.459 3.190 20 30 GGEDRN C=CCn1c(-c2cccnc2)nnc1N1CCC(NC(=O)CCCCC)CC1 ZINC000283565515 1435895892 /nfs/dbraw/zinc/89/58/92/1435895892.db2.gz RACSGWAGTBNMMQ-UHFFFAOYSA-N 0 0 382.512 3.191 20 30 GGEDRN C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000283581416 1435896482 /nfs/dbraw/zinc/89/64/82/1435896482.db2.gz KIWFLBYTKBHXNY-IEBWSBKVSA-N 0 0 398.507 3.111 20 30 GGEDRN CN(CCc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO1 ZINC000283579890 1435896536 /nfs/dbraw/zinc/89/65/36/1435896536.db2.gz VOEMODUVCSAGJS-KRWDZBQOSA-N 0 0 394.504 3.131 20 30 GGEDRN C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](C(=O)OC)[C@@H](C)C1 ZINC000283581404 1435896540 /nfs/dbraw/zinc/89/65/40/1435896540.db2.gz KIWFLBYTKBHXNY-HKUYNNGSSA-N 0 0 398.507 3.111 20 30 GGEDRN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000283583918 1435896584 /nfs/dbraw/zinc/89/65/84/1435896584.db2.gz KOSFMSFAVZYCHO-SFHVURJKSA-N 0 0 395.507 3.093 20 30 GGEDRN C[C@@H](NC(=O)C(=O)N(C)Cc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000283586398 1435896705 /nfs/dbraw/zinc/89/67/05/1435896705.db2.gz VHZBTYOQDFTMIQ-CYBMUJFWSA-N 0 0 389.377 3.413 20 30 GGEDRN C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C#N)C1 ZINC000283588956 1435896805 /nfs/dbraw/zinc/89/68/05/1435896805.db2.gz KYIMOIUYXJSLPL-ROUUACIJSA-N 0 0 381.480 3.340 20 30 GGEDRN C#CCN(C)C(=O)C(=O)Nc1ccc2c(c1)CN(c1ccc(C(C)C)cc1)C2 ZINC000283589104 1435896809 /nfs/dbraw/zinc/89/68/09/1435896809.db2.gz KZCIUHKEFSPFOD-UHFFFAOYSA-N 0 0 375.472 3.360 20 30 GGEDRN C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC000283587468 1435896854 /nfs/dbraw/zinc/89/68/54/1435896854.db2.gz KVPWCHSIPFLTJI-UHFFFAOYSA-N 0 0 391.475 3.374 20 30 GGEDRN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N(C)C[C@@H](C)c1nccs1 ZINC000283597222 1435897184 /nfs/dbraw/zinc/89/71/84/1435897184.db2.gz LTLUILGZUODHIF-HUUCEWRRSA-N 0 0 379.530 3.275 20 30 GGEDRN C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000283599020 1435897195 /nfs/dbraw/zinc/89/71/95/1435897195.db2.gz LYJRJYLIGJYEPF-GCJKJVERSA-N 0 0 398.507 3.126 20 30 GGEDRN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N(C)C[C@H](C)c1nccs1 ZINC000283597219 1435897210 /nfs/dbraw/zinc/89/72/10/1435897210.db2.gz LTLUILGZUODHIF-GJZGRUSLSA-N 0 0 379.530 3.275 20 30 GGEDRN C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC000283599025 1435897321 /nfs/dbraw/zinc/89/73/21/1435897321.db2.gz LYJRJYLIGJYEPF-PGRDOPGGSA-N 0 0 398.507 3.126 20 30 GGEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC2(CC2)C1 ZINC000283602507 1435897432 /nfs/dbraw/zinc/89/74/32/1435897432.db2.gz MGTSVBDJKIHPMD-UHFFFAOYSA-N 0 0 393.539 3.409 20 30 GGEDRN C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](C(N)=O)C1 ZINC000283604262 1435897561 /nfs/dbraw/zinc/89/75/61/1435897561.db2.gz MKQOZRSAYMBUDG-KRWDZBQOSA-N 0 0 397.523 3.177 20 30 GGEDRN C=C(C)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000283616467 1435898073 /nfs/dbraw/zinc/89/80/73/1435898073.db2.gz NKAHWUHIDKDMTP-UHFFFAOYSA-N 0 0 383.471 3.142 20 30 GGEDRN CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC000283644036 1435899155 /nfs/dbraw/zinc/89/91/55/1435899155.db2.gz JBOSBDAOQHNFIU-LJQANCHMSA-N 0 0 381.480 3.144 20 30 GGEDRN CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC000283644029 1435899202 /nfs/dbraw/zinc/89/92/02/1435899202.db2.gz JBOSBDAOQHNFIU-IBGZPJMESA-N 0 0 381.480 3.144 20 30 GGEDRN C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C)C[C@@H](c2ccsc2)O1 ZINC000283644513 1435899206 /nfs/dbraw/zinc/89/92/06/1435899206.db2.gz XRLWOBVWWLBMLA-KSSFIOAISA-N 0 0 395.488 3.294 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCCC(=O)NC ZINC000283649911 1435899406 /nfs/dbraw/zinc/89/94/06/1435899406.db2.gz PNASXSUUYRVWGF-UHFFFAOYSA-N 0 0 391.903 3.146 20 30 GGEDRN CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000283654650 1435899529 /nfs/dbraw/zinc/89/95/29/1435899529.db2.gz DGGJVJMEANRPFW-MRXNPFEDSA-N 0 0 396.495 3.188 20 30 GGEDRN C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCO1 ZINC000283658248 1435899726 /nfs/dbraw/zinc/89/97/26/1435899726.db2.gz ZMGSPUFVQOKBOM-WBVHZDCISA-N 0 0 391.479 3.110 20 30 GGEDRN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000283663329 1435899993 /nfs/dbraw/zinc/89/99/93/1435899993.db2.gz FLMFASWQBZEQQW-SJORKVTESA-N 0 0 381.867 3.204 20 30 GGEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC000283670027 1435901035 /nfs/dbraw/zinc/90/10/35/1435901035.db2.gz RBXDBBABRNWHDX-UHFFFAOYSA-N 0 0 397.523 3.225 20 30 GGEDRN C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 ZINC000283674081 1435901376 /nfs/dbraw/zinc/90/13/76/1435901376.db2.gz RKNMOIUYMUWBHH-UHFFFAOYSA-N 0 0 392.507 3.355 20 30 GGEDRN C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000283685085 1435903522 /nfs/dbraw/zinc/90/35/22/1435903522.db2.gz SLTRVPMDTDGLQO-XMSQKQJNSA-N 0 0 398.507 3.126 20 30 GGEDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C1 ZINC000283701132 1435906231 /nfs/dbraw/zinc/90/62/31/1435906231.db2.gz CLVYRDZAIUQJDU-CHWSQXEVSA-N 0 0 389.456 3.178 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000283701180 1435906238 /nfs/dbraw/zinc/90/62/38/1435906238.db2.gz VGEUSKPKXLIGQS-MRXNPFEDSA-N 0 0 384.509 3.203 20 30 GGEDRN COc1ccc(C2=NO[C@@H](CNC(=O)CSc3ccc(C#N)cc3)C2)cc1F ZINC000283700434 1435906413 /nfs/dbraw/zinc/90/64/13/1435906413.db2.gz YEORCZUQSWCIBF-OAHLLOKOSA-N 0 0 399.447 3.107 20 30 GGEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000283725700 1435911681 /nfs/dbraw/zinc/91/16/81/1435911681.db2.gz YCOSSHPQWOCKJF-JKSUJKDBSA-N 0 0 384.480 3.165 20 30 GGEDRN C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(COC)CC1 ZINC000283727874 1435911843 /nfs/dbraw/zinc/91/18/43/1435911843.db2.gz YJOSXJXSKLETEF-IBGZPJMESA-N 0 0 384.480 3.230 20 30 GGEDRN C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC(CC(=O)NC)CC1 ZINC000283735342 1435912694 /nfs/dbraw/zinc/91/26/94/1435912694.db2.gz ZDMNTTKCVZXGSH-UHFFFAOYSA-N 0 0 397.523 3.094 20 30 GGEDRN Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC000283734015 1435912913 /nfs/dbraw/zinc/91/29/13/1435912913.db2.gz COMASSSCOWXYPG-IBGZPJMESA-N 0 0 388.475 3.347 20 30 GGEDRN C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000283734116 1435912986 /nfs/dbraw/zinc/91/29/86/1435912986.db2.gz ZALGWIPAANDPMT-HNNXBMFYSA-N 0 0 375.517 3.473 20 30 GGEDRN 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ZINC001164974047 722170019 /nfs/dbraw/zinc/17/00/19/722170019.db2.gz DOBPRZFVGJXNBL-NVXWUHKLSA-N 0 0 388.842 3.096 20 30 GGEDRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)ccc4CC#N)CC[C@@H]32)cs1 ZINC001164988629 722185461 /nfs/dbraw/zinc/18/54/61/722185461.db2.gz NCSJASATNYGGCC-PMACEKPBSA-N 0 0 397.548 3.091 20 30 GGEDRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)ccc4CC#N)CC[C@H]32)cs1 ZINC001164988633 722185489 /nfs/dbraw/zinc/18/54/89/722185489.db2.gz NCSJASATNYGGCC-UXHICEINSA-N 0 0 397.548 3.091 20 30 GGEDRN C#CCOc1ccc(C(=O)Oc2c(Cl)cc(-c3nn[nH]n3)cc2OCC)cc1 ZINC000735381220 944642727 /nfs/dbraw/zinc/64/27/27/944642727.db2.gz RFPOVGBYELKUQK-UHFFFAOYSA-N 0 0 398.806 3.150 20 30 GGEDRN CC[C@H](C)Oc1cc(C=NNCc2ccc(-c3nn[nH]n3)cc2)ccc1OC ZINC000820876709 945581517 /nfs/dbraw/zinc/58/15/17/945581517.db2.gz SGNRUXLZMDNVJI-AWEZNQCLSA-N 0 0 380.452 3.176 20 30 GGEDRN C=C(C)CN(CC)C(=O)CSc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000823877955 946498583 /nfs/dbraw/zinc/49/85/83/946498583.db2.gz KQVGPMLHZNBXOD-UHFFFAOYSA-N 0 0 385.415 3.402 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823894811 946507478 /nfs/dbraw/zinc/50/74/78/946507478.db2.gz XKNXYHCIZZGBRI-HNNXBMFYSA-N 0 0 384.484 3.164 20 30 GGEDRN C=CCOCCCC(=O)OC1CCC(Nc2ccc(-c3nn[nH]n3)cc2C)CC1 ZINC000823925895 946517788 /nfs/dbraw/zinc/51/77/88/946517788.db2.gz QGKJCFSAZHKHBN-UHFFFAOYSA-N 0 0 399.495 3.424 20 30 GGEDRN C=CCOc1ccc(C=CC(=O)c2ccc(-c3nn[nH]n3)c(F)c2)cc1OC ZINC000823932137 946520462 /nfs/dbraw/zinc/52/04/62/946520462.db2.gz PQFADMHJXAFWQK-XBXARRHUSA-N 0 0 380.379 3.475 20 30 GGEDRN C#C[C@H](NC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[nH]n2)c1)C(C)C ZINC001573279965 946652100 /nfs/dbraw/zinc/65/21/00/946652100.db2.gz MCIVYQWEBFFKHM-KRWDZBQOSA-N 0 0 376.420 3.438 20 30 GGEDRN C#C[C@H](NC(=O)NCc1ccc(C)c(-c2nn[nH]n2)c1)c1ccc(Cl)cc1F ZINC001573280968 946669590 /nfs/dbraw/zinc/66/95/90/946669590.db2.gz UWPLVWMUBHQFSB-KRWDZBQOSA-N 0 0 398.829 3.141 20 30 GGEDRN C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3nn[nH]n3)cc2)n1CC(C)(C)CC=C 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3.320 20 30 GGEDRN C#CCCCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CC[C@H](C)[C@@H]1CC ZINC001573283673 946723069 /nfs/dbraw/zinc/72/30/69/946723069.db2.gz WQENJHUULWRCAZ-YJBOKZPZSA-N 0 0 390.495 3.163 20 30 GGEDRN C#CCN(C(=O)CCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCc2ccccc21 ZINC001573283821 946726685 /nfs/dbraw/zinc/72/66/85/946726685.db2.gz VYCJEWJIAFONGZ-NRFANRHFSA-N 0 0 385.471 3.339 20 30 GGEDRN C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824513926 946755269 /nfs/dbraw/zinc/75/52/69/946755269.db2.gz KHAIXYAJCQIEMT-CYBMUJFWSA-N 0 0 383.415 3.224 20 30 GGEDRN C#CCSc1ccc(COC(=O)C2(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC001573287415 946834619 /nfs/dbraw/zinc/83/46/19/946834619.db2.gz BXVAEQIEUDGWBA-UHFFFAOYSA-N 0 0 390.468 3.367 20 30 GGEDRN C#CCOc1ccc(NC(=O)NC2(c3ccc(-c4nn[nH]n4)cc3)CCC2)cc1 ZINC001573288223 946860561 /nfs/dbraw/zinc/86/05/61/946860561.db2.gz IYILUTFBRBBUER-UHFFFAOYSA-N 0 0 388.431 3.080 20 30 GGEDRN C#Cc1ccc(CNC(=O)Nc2ccc(OC(C)(C)C)c(-c3nn[nH]n3)c2)cc1 ZINC001573290797 946909636 /nfs/dbraw/zinc/90/96/36/946909636.db2.gz PSPGLJIOYNMKEQ-UHFFFAOYSA-N 0 0 390.447 3.347 20 30 GGEDRN C#Cc1cccc(CNC(=O)Nc2ccc(OC(C)(C)C)c(-c3nn[nH]n3)c2)c1 ZINC001573290769 946909967 /nfs/dbraw/zinc/90/99/67/946909967.db2.gz OZULFRSTIMEEDB-UHFFFAOYSA-N 0 0 390.447 3.347 20 30 GGEDRN CC(=O)c1cccc(-c2nn[nH]n2)c1OCc1ccc(C#N)cc1OC(F)F ZINC001573556108 946921022 /nfs/dbraw/zinc/92/10/22/946921022.db2.gz WGONSRZCBUSEAZ-UHFFFAOYSA-N 0 0 385.330 3.121 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001573293677 946965159 /nfs/dbraw/zinc/96/51/59/946965159.db2.gz FYPWTRSMJYRZMG-HUUCEWRRSA-N 0 0 378.484 3.184 20 30 GGEDRN C=C(C)c1cccc(NC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC001573295745 947028177 /nfs/dbraw/zinc/02/81/77/947028177.db2.gz UCCBZZUJSHGCNC-UHFFFAOYSA-N 0 0 389.463 3.254 20 30 GGEDRN C=C1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[nH]n4)cn3)c2)CC1 ZINC001573296274 947043287 /nfs/dbraw/zinc/04/32/87/947043287.db2.gz MMSJLJOLBCWPKH-UHFFFAOYSA-N 0 0 377.408 3.238 20 30 GGEDRN C=C(Cl)Cn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CC[C@H](C2CC2)C1 ZINC001573298043 947068823 /nfs/dbraw/zinc/06/88/23/947068823.db2.gz LZTAYLJHDXLQTI-INIZCTEOSA-N 0 0 396.886 3.114 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNc1ccc(-c2nn[nH]n2)c(Br)c1F ZINC001573299660 947100273 /nfs/dbraw/zinc/10/02/73/947100273.db2.gz KUFGLHDQZOZHST-LKFCYVNXSA-N 0 0 382.237 3.161 20 30 GGEDRN C=CC1(CC(=O)N2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)CCCCC1 ZINC001573314319 947228948 /nfs/dbraw/zinc/22/89/48/947228948.db2.gz APFQYEWLBOXXJQ-UHFFFAOYSA-N 0 0 398.486 3.181 20 30 GGEDRN C[C@@H](C#N)N(C)C(=O)c1ccc(Oc2ccccc2-c2nn[nH]n2)c(Cl)c1 ZINC001573585447 947258865 /nfs/dbraw/zinc/25/88/65/947258865.db2.gz GBZNSHXSNWGFLW-NSHDSACASA-N 0 0 382.811 3.296 20 30 GGEDRN C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC001573316016 947262362 /nfs/dbraw/zinc/26/23/62/947262362.db2.gz RVCJEENGFGFNJV-UHFFFAOYSA-N 0 0 396.499 3.091 20 30 GGEDRN C=CCC1(C(=O)N2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)CCCCC1 ZINC001573326794 947376219 /nfs/dbraw/zinc/37/62/19/947376219.db2.gz VTJLPEGUSARHLM-UHFFFAOYSA-N 0 0 398.486 3.181 20 30 GGEDRN C=CCCC(=O)Nc1ccc(COC(=O)c2cscc2-c2nn[nH]n2)cc1 ZINC001573327287 947386489 /nfs/dbraw/zinc/38/64/89/947386489.db2.gz BQCALCPWOBZGIG-UHFFFAOYSA-N 0 0 383.433 3.190 20 30 GGEDRN C=CCCC(C)(C)NC(=O)Nc1ccc(-c2nn[nH]n2)c(Br)c1 ZINC001573328288 947406285 /nfs/dbraw/zinc/40/62/85/947406285.db2.gz UQTWQVZSDCCEJB-UHFFFAOYSA-N 0 0 379.262 3.496 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)c1ccccc1Sc1ccccc1-c1nn[nH]n1 ZINC001573334550 947456681 /nfs/dbraw/zinc/45/66/81/947456681.db2.gz NRZZPMNGPZDYHY-CQSZACIVSA-N 0 0 395.488 3.075 20 30 GGEDRN C=CCCCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CCC[C@H]1CC ZINC001573335956 947496086 /nfs/dbraw/zinc/49/60/86/947496086.db2.gz XQEMDWIPOJUJHA-QGZVFWFLSA-N 0 0 378.484 3.470 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cc(F)cc2ccncc21 ZINC001573341677 947532983 /nfs/dbraw/zinc/53/29/83/947532983.db2.gz OQONMZNSUFKDBT-UHFFFAOYSA-N 0 0 388.406 3.382 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cnccc1C(F)(F)F ZINC001573341756 947535192 /nfs/dbraw/zinc/53/51/92/947535192.db2.gz PZIDHYDYLFRPIE-UHFFFAOYSA-N 0 0 388.353 3.109 20 30 GGEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cc1nsc2ccccc21 ZINC001573342169 947537894 /nfs/dbraw/zinc/53/78/94/947537894.db2.gz VMRDPSKLQAQZIA-UHFFFAOYSA-N 0 0 390.472 3.234 20 30 GGEDRN C=CCN(CC1CCCCC1)S(=O)(=O)c1c(C)cc(F)cc1-c1nn[nH]n1 ZINC001573342496 947540701 /nfs/dbraw/zinc/54/07/01/947540701.db2.gz ZRPCZOMOFYNNDA-UHFFFAOYSA-N 0 0 393.488 3.071 20 30 GGEDRN C=CCn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N(C)Cc1cccs1 ZINC001573348379 947585031 /nfs/dbraw/zinc/58/50/31/947585031.db2.gz PXSCEWVONASVRA-UHFFFAOYSA-N 0 0 378.465 3.009 20 30 GGEDRN C=CCOc1ccc(-c2nnc(SCc3ccncc3-c3nn[nH]n3)o2)cc1 ZINC001573348807 947588665 /nfs/dbraw/zinc/58/86/65/947588665.db2.gz WTOMMABFLIAIIQ-UHFFFAOYSA-N 0 0 393.432 3.169 20 30 GGEDRN C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(C(=O)[O-])cc1 ZINC001602729947 971403643 /nfs/dbraw/zinc/40/36/43/971403643.db2.gz MYBYLXMTNBNAIN-UHFFFAOYSA-N 0 0 386.521 3.483 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nn[nH]n2)cc1 ZINC001573350705 947600935 /nfs/dbraw/zinc/60/09/35/947600935.db2.gz DINYDHXTYBNIBY-SJORKVTESA-N 0 0 392.419 3.124 20 30 GGEDRN C=CCn1cc2ccc(NC(=O)C3(c4cccc(-c5nn[nH]n5)c4)CC3)cc2n1 ZINC001573350941 947605280 /nfs/dbraw/zinc/60/52/80/947605280.db2.gz LPLMUYMKWVWAGZ-UHFFFAOYSA-N 0 0 385.431 3.073 20 30 GGEDRN N#Cc1cc(NC(=O)CC2CCC(C(F)(F)F)CC2)ccc1-c1nn[nH]n1 ZINC000826384239 948186607 /nfs/dbraw/zinc/18/66/07/948186607.db2.gz MQWPMGNGSYDIDA-UHFFFAOYSA-N 0 0 378.358 3.436 20 30 GGEDRN N#Cc1ccc(Sc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1C(F)(F)F ZINC000826386100 948188804 /nfs/dbraw/zinc/18/88/04/948188804.db2.gz OXIVBJVPOFIUQF-UHFFFAOYSA-N 0 0 393.310 3.212 20 30 GGEDRN CC(F)(F)c1ccccc1NC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575244218 949018059 /nfs/dbraw/zinc/01/80/59/949018059.db2.gz YEGDGHJYKPVLAB-AWEZNQCLSA-N 0 0 382.374 3.299 20 30 GGEDRN CC[C@]1(C(=O)[O-])CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC001589605993 949269606 /nfs/dbraw/zinc/26/96/06/949269606.db2.gz YJAKKKHOEHXVQZ-YWZLYKJASA-N 0 0 375.444 3.038 20 30 GGEDRN CC(C)(C)CN(CCC#N)C(=O)c1cccc(-c2nn[nH]n2)c1Br ZINC001573845787 950241398 /nfs/dbraw/zinc/24/13/98/950241398.db2.gz MEAXQHFTKPFLAG-UHFFFAOYSA-N 0 0 391.273 3.031 20 30 GGEDRN C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nn[nH]n2)c2ccccc2n1 ZINC001575190907 952465395 /nfs/dbraw/zinc/46/53/95/952465395.db2.gz UWUNYBWGKCAPFZ-CYBMUJFWSA-N 0 0 383.415 3.104 20 30 GGEDRN CC[C@H](C)[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C(=O)[O-] ZINC001593613977 953481950 /nfs/dbraw/zinc/48/19/50/953481950.db2.gz PAIWCDHBBQIPTD-XOBRGWDASA-N 0 0 396.491 3.052 20 30 GGEDRN C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](CC(=O)[O-])C3CCC3)sc2C1 ZINC001589362957 954164642 /nfs/dbraw/zinc/16/46/42/954164642.db2.gz BJPRTSWGMQTGIF-LBPRGKRZSA-N 0 0 375.494 3.012 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](C)[C@H](C(=O)[O-])C3)sc2C1 ZINC001589363902 954174732 /nfs/dbraw/zinc/17/47/32/954174732.db2.gz NKPAEBSDMLAURH-XJKCOSOUSA-N 0 0 389.521 3.116 20 30 GGEDRN N#Cc1ccc(CN2CCC([NH2+][C@H]3C[C@@H](C(=O)[O-])c4ccccc43)CC2)cc1 ZINC001594620945 956280736 /nfs/dbraw/zinc/28/07/36/956280736.db2.gz XCOJWJFGSWJDGW-YADHBBJMSA-N 0 0 375.472 3.425 20 30 GGEDRN COCCN(Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)Cc1ccc(C#N)cc1 ZINC001594012818 957012344 /nfs/dbraw/zinc/01/23/44/957012344.db2.gz YJCHSYQOSPULJV-IBGZPJMESA-N 0 0 397.475 3.101 20 30 GGEDRN C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)C(C)C ZINC001339710492 957866245 /nfs/dbraw/zinc/86/62/45/957866245.db2.gz QHHIJPWZHQWQOR-VAMGGRTRSA-N 0 0 385.508 3.297 20 30 GGEDRN C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)C(C)C ZINC001339710490 957866455 /nfs/dbraw/zinc/86/64/55/957866455.db2.gz QHHIJPWZHQWQOR-SLFFLAALSA-N 0 0 385.508 3.297 20 30 GGEDRN Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)ccc1Cl ZINC001594311977 958040486 /nfs/dbraw/zinc/04/04/86/958040486.db2.gz SDAZHWWZVTZREL-MRXNPFEDSA-N 0 0 391.899 3.472 20 30 GGEDRN C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC3(CC(C(=O)[O-])C3)O2)cc1OC ZINC001588466514 958513005 /nfs/dbraw/zinc/51/30/05/958513005.db2.gz WUEKZVPTUIZELQ-RDYUPDBUSA-N 0 0 395.883 3.415 20 30 GGEDRN C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)cc1OC ZINC001588466513 958513257 /nfs/dbraw/zinc/51/32/57/958513257.db2.gz WUEKZVPTUIZELQ-CHWWFWEZSA-N 0 0 395.883 3.415 20 30 GGEDRN C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001588541362 958962649 /nfs/dbraw/zinc/96/26/49/958962649.db2.gz AJWDHUHAQNYMSV-IBGZPJMESA-N 0 0 375.494 3.208 20 30 GGEDRN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588544998 958990836 /nfs/dbraw/zinc/99/08/36/958990836.db2.gz GDRKAGZUFWSUDH-HOTGVXAUSA-N 0 0 375.444 3.038 20 30 GGEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1C#N ZINC001594253140 959629473 /nfs/dbraw/zinc/62/94/73/959629473.db2.gz QURGISPLWMVRRN-RBUKOAKNSA-N 0 0 398.507 3.073 20 30 GGEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(C)(C(=O)[O-])CC3)sc2C1 ZINC001573738496 960470316 /nfs/dbraw/zinc/47/03/16/960470316.db2.gz GJGLXAYLNDVRFT-CYBMUJFWSA-N 0 0 389.521 3.260 20 30 GGEDRN C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC001574014292 961938866 /nfs/dbraw/zinc/93/88/66/961938866.db2.gz WHDPDZYEJQZHSZ-QFIPXVFZSA-N 0 0 395.459 3.140 20 30 GGEDRN C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)C(C)C ZINC001573367812 963069814 /nfs/dbraw/zinc/06/98/14/963069814.db2.gz BAUWERVARQZXDB-NJDAHSKKSA-N 0 0 399.535 3.195 20 30 GGEDRN C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)C(C)C ZINC001573367813 963070708 /nfs/dbraw/zinc/07/07/08/963070708.db2.gz BAUWERVARQZXDB-NJYVYQBISA-N 0 0 399.535 3.195 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001573368815 963085500 /nfs/dbraw/zinc/08/55/00/963085500.db2.gz RXOQGBKEHNIVKW-RZQQEMMASA-N 0 0 376.522 3.228 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001573368813 963086066 /nfs/dbraw/zinc/08/60/66/963086066.db2.gz RXOQGBKEHNIVKW-JXXFODFXSA-N 0 0 376.522 3.228 20 30 GGEDRN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)cn1 ZINC000873646205 969360729 /nfs/dbraw/zinc/36/07/29/969360729.db2.gz YMZOZBDLBMYIPW-LSDHHAIUSA-N 0 0 392.381 3.001 20 30 GGEDRN N#Cc1c(NC(=O)C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])sc2c1CCCCC2 ZINC001605591348 973887601 /nfs/dbraw/zinc/88/76/01/973887601.db2.gz XMTDNBJWGDVYLU-KRWDZBQOSA-N 0 0 397.500 3.113 20 30 GGEDRN N#Cc1cc(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)ccc1Oc1ccccc1 ZINC001605592065 973893522 /nfs/dbraw/zinc/89/35/22/973893522.db2.gz RQRFMODWUSACKY-UHFFFAOYSA-N 0 0 394.431 3.021 20 30 GGEDRN CC(C)[C@H]([NH2+]CCCNC(=O)Nc1scc(C(C)(C)C)c1C#N)C(=O)[O-] ZINC001591901529 976287975 /nfs/dbraw/zinc/28/79/75/976287975.db2.gz PKLCAYQBHIQNAF-AWEZNQCLSA-N 0 0 380.514 3.128 20 30 GGEDRN CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC ZINC000736848779 978361712 /nfs/dbraw/zinc/36/17/12/978361712.db2.gz NDODABBBOIURAN-YLJYHZDGSA-N 0 0 379.416 3.163 20 30 GGEDRN Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC[C@@H]2CCOC2)c1 ZINC000832935307 979057199 /nfs/dbraw/zinc/05/71/99/979057199.db2.gz ZNMWLLGENPGXGE-DYESRHJHSA-N 0 0 380.444 3.198 20 30 GGEDRN Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)c(OC[C@H]2CCOC2)c1 ZINC000832935114 979057401 /nfs/dbraw/zinc/05/74/01/979057401.db2.gz VGGLSQVGALSRAO-LAUBAEHRSA-N 0 0 380.444 3.198 20 30 GGEDRN Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC[C@H]2CCOC2)c1 ZINC000832935312 979057611 /nfs/dbraw/zinc/05/76/11/979057611.db2.gz ZNMWLLGENPGXGE-UWJYYQICSA-N 0 0 380.444 3.198 20 30 GGEDRN C=C(C)C[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nc1C)C(=O)[O-] ZINC000864530353 979944894 /nfs/dbraw/zinc/94/48/94/979944894.db2.gz WNHPQBZVRDTPAV-OAHLLOKOSA-N 0 0 378.270 3.452 20 30 GGEDRN C=C(C)C[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)C(=O)[O-] ZINC000901679754 980442439 /nfs/dbraw/zinc/44/24/39/980442439.db2.gz PXUQPGWEVFYDQA-QGZVFWFLSA-N 0 0 381.314 3.423 20 30 GGEDRN C=CCOc1c(Cl)cc(C[NH2+][C@H](CC2CCOCC2)C(=O)[O-])cc1OC ZINC000901777895 980508412 /nfs/dbraw/zinc/50/84/12/980508412.db2.gz SKQSBKFKFVXKFW-MRXNPFEDSA-N 0 0 383.872 3.273 20 30 GGEDRN C=CCOC[C@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)C(=O)[O-] ZINC000901809745 980530736 /nfs/dbraw/zinc/53/07/36/980530736.db2.gz HDJRDIKBNBQHJA-LBPRGKRZSA-N 0 0 382.176 3.213 20 30 GGEDRN N#Cc1ccccc1COc1cccc(C[NH2+][C@H](C[C@H]2CCCO2)C(=O)[O-])c1 ZINC000904032534 981082526 /nfs/dbraw/zinc/08/25/26/981082526.db2.gz WYGNIGSHMXQQAX-NHCUHLMSSA-N 0 0 380.444 3.249 20 30 GGEDRN O=C([O-])[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000905403998 981118772 /nfs/dbraw/zinc/11/87/72/981118772.db2.gz SPNWSZRDUFQISQ-SNVBAGLBSA-N 0 0 377.256 3.338 20 30 GGEDRN CC[C@](C)(C(=O)[O-])[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)CC1CC1 ZINC001594778480 981777833 /nfs/dbraw/zinc/77/78/33/981777833.db2.gz SSEZJERNWVXSFW-JLTOFOAXSA-N 0 0 385.489 3.438 20 30 GGEDRN C#CC[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)[O-])CC1 ZINC001588471773 983507699 /nfs/dbraw/zinc/50/76/99/983507699.db2.gz ZOMIYYSGZMIIQZ-UHFFFAOYSA-N 0 0 378.428 3.461 20 30 GGEDRN CCN(C(=O)OC(C)(C)C)C1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001596155598 983513488 /nfs/dbraw/zinc/51/34/88/983513488.db2.gz GMLNGJCBEIFNSY-GOSISDBHSA-N 0 0 387.480 3.405 20 30 GGEDRN C#Cc1ccc(NC(=O)CC[NH2+][C@@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)cc1 ZINC001588516803 983562175 /nfs/dbraw/zinc/56/21/75/983562175.db2.gz CDFILJXIJUVVQI-LJQANCHMSA-N 0 0 386.835 3.074 20 30 GGEDRN C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)cc1 ZINC001588516905 983563237 /nfs/dbraw/zinc/56/32/37/983563237.db2.gz HLRYXAPKWGKKNX-MRXNPFEDSA-N 0 0 383.473 3.297 20 30 GGEDRN C=C(C)C[C@@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)C(=O)[O-] ZINC001588553661 983628475 /nfs/dbraw/zinc/62/84/75/983628475.db2.gz PCQCYBKJDITECF-MRXNPFEDSA-N 0 0 377.441 3.476 20 30 GGEDRN C=C(C)C[C@@H]([NH2+]Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1)C(=O)[O-] ZINC001588553912 983629051 /nfs/dbraw/zinc/62/90/51/983629051.db2.gz VAHJZWOOPYZFBH-QGZVFWFLSA-N 0 0 392.496 3.347 20 30 GGEDRN C=CC[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001588728384 983982201 /nfs/dbraw/zinc/98/22/01/983982201.db2.gz JHLUJEYYDWRKIW-ZFWWWQNUSA-N 0 0 385.245 3.185 20 30 GGEDRN C=CC[C@H](C(=O)[O-])[N@H+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001588731215 984007007 /nfs/dbraw/zinc/00/70/07/984007007.db2.gz FJYWNGMOWGUTJP-GVDBMIGSSA-N 0 0 378.444 3.148 20 30 GGEDRN C=CCC[C@@H]([NH2+]CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1ccccc1 ZINC001588779403 984165612 /nfs/dbraw/zinc/16/56/12/984165612.db2.gz XLRLVGZPSXVOFE-LJQANCHMSA-N 0 0 396.443 3.407 20 30 GGEDRN C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)C(C)C ZINC001588826753 984306104 /nfs/dbraw/zinc/30/61/04/984306104.db2.gz VDIHMTIXOUELGT-FQEVSTJZSA-N 0 0 385.508 3.151 20 30 GGEDRN C=CC[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])Cc1ccc(Cl)s1 ZINC001588828904 984310197 /nfs/dbraw/zinc/31/01/97/984310197.db2.gz SMSCOASIEZNCEY-DHDCSXOGSA-N 0 0 386.926 3.281 20 30 GGEDRN C=CCOC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)[O-] ZINC001588866487 984425598 /nfs/dbraw/zinc/42/55/98/984425598.db2.gz NJOPDRICIYZLCA-HXUWFJFHSA-N 0 0 395.434 3.424 20 30 GGEDRN CC(=O)[C@](C#N)(CC[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001589021877 985014991 /nfs/dbraw/zinc/01/49/91/985014991.db2.gz XVZLWZDBTGVMMU-MQSCRBSSSA-N 0 0 376.456 3.227 20 30 GGEDRN CCO[C@@H]1C[C@]([NH2+]Cc2cc(C#N)ccc2Br)(C(=O)[O-])C1(C)C ZINC001596838457 985507447 /nfs/dbraw/zinc/50/74/47/985507447.db2.gz OBUMTOKMYCFINA-PBHICJAKSA-N 0 0 381.270 3.069 20 30 GGEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](CCC(=O)[O-])CC(C)C)c1C#N ZINC001599973103 986043044 /nfs/dbraw/zinc/04/30/44/986043044.db2.gz IFGWWRBKKRCYLW-UHFFFAOYSA-N 0 0 396.491 3.337 20 30 GGEDRN C[C@@H](C(=O)[O-])[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 ZINC001589470156 986953885 /nfs/dbraw/zinc/95/38/85/986953885.db2.gz XCOYYVGJLHIPSN-YJYMSZOUSA-N 0 0 397.500 3.489 20 30 GGEDRN CCc1cccc[n+]1C(C(=O)c1ccc(C(=O)[O-])cc1)C(=S)NCC1CC1 ZINC001597603850 988475374 /nfs/dbraw/zinc/47/53/74/988475374.db2.gz WMMTXVKQQKRBGB-UHFFFAOYSA-O 0 0 383.493 3.173 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC(CCC[NH+]2CCC(C#N)(C(=O)[O-])CC2)CC1 ZINC001589973130 988815149 /nfs/dbraw/zinc/81/51/49/988815149.db2.gz CRDBCBNESONBSD-UHFFFAOYSA-N 0 0 379.501 3.104 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC12CC[NH+]([C@H](C(=O)[O-])c1ccc(C#N)cc1)CC2 ZINC001589992555 988903937 /nfs/dbraw/zinc/90/39/37/988903937.db2.gz VWZDRGLNKBOEKY-KRWDZBQOSA-N 0 0 385.464 3.159 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC2(C[C@H]2[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001589996391 988919567 /nfs/dbraw/zinc/91/95/67/988919567.db2.gz ZSBRMGQISBLJAS-IAGOWNOFSA-N 0 0 385.464 3.063 20 30 GGEDRN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC001590139962 989406271 /nfs/dbraw/zinc/40/62/71/989406271.db2.gz QOWRRRUUGXIGCN-DKIMLUQUSA-N 0 0 385.464 3.062 20 30 GGEDRN CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1cccc(C(=O)[O-])c1C#N)C1CCCC1 ZINC001590155053 989462632 /nfs/dbraw/zinc/46/26/32/989462632.db2.gz WOBSVWSOXUJTHX-GOSISDBHSA-N 0 0 387.480 3.430 20 30 GGEDRN CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001590184987 989536438 /nfs/dbraw/zinc/53/64/38/989536438.db2.gz MVJNSOMBCGUETA-QAPCUYQASA-N 0 0 387.480 3.311 20 30 GGEDRN C[NH+](C)CC(C)(C)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001598200334 990811907 /nfs/dbraw/zinc/81/19/07/990811907.db2.gz ABVRDNYLVRMKFK-UHFFFAOYSA-N 0 0 379.460 3.246 20 30 GGEDRN COc1ccccc1[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)[NH+]1CCCCC1 ZINC001599697640 991172663 /nfs/dbraw/zinc/17/26/63/991172663.db2.gz HHWFLLFQQJZPGP-LJQANCHMSA-N 0 0 380.448 3.299 20 30 GGEDRN CC(C)C[C@H](C(=O)[O-])[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC001591123124 991802268 /nfs/dbraw/zinc/80/22/68/991802268.db2.gz MYODOESYFIPUQK-SJORKVTESA-N 0 0 394.313 3.131 20 30 GGEDRN C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598437024 991836853 /nfs/dbraw/zinc/83/68/53/991836853.db2.gz LYLFMEVLAASUSY-IRXDYDNUSA-N 0 0 389.249 3.112 20 30 GGEDRN C[N@H+](CCOCC(F)(F)C(F)F)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598496881 992379284 /nfs/dbraw/zinc/37/92/84/992379284.db2.gz NHAOCLWTWOSZJI-LLVKDONJSA-N 0 0 377.256 3.078 20 30 GGEDRN C[N@H+](CCOCc1ccc(C#N)cc1)CCOc1ccc(C(=O)[O-])cc1Cl ZINC001598497751 992386667 /nfs/dbraw/zinc/38/66/67/992386667.db2.gz FNCFILKBVPUGIF-UHFFFAOYSA-N 0 0 388.851 3.437 20 30 GGEDRN C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598532782 992804406 /nfs/dbraw/zinc/80/44/06/992804406.db2.gz GXVWHZLBWQYDAV-QGZVFWFLSA-N 0 0 399.248 3.226 20 30 GGEDRN C[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC001598594551 993485255 /nfs/dbraw/zinc/48/52/55/993485255.db2.gz PQPRMCYWIMFBBV-FQEVSTJZSA-N 0 0 377.444 3.000 20 30 GGEDRN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593195288 994146185 /nfs/dbraw/zinc/14/61/85/994146185.db2.gz CYUAWYJXKURLPG-GLJUWKHASA-N 0 0 399.878 3.460 20 30 GGEDRN C[C@H]([NH2+][C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001593195287 994146229 /nfs/dbraw/zinc/14/62/29/994146229.db2.gz CYUAWYJXKURLPG-DEYYWGMASA-N 0 0 399.878 3.460 20 30 GGEDRN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593195289 994146552 /nfs/dbraw/zinc/14/65/52/994146552.db2.gz CYUAWYJXKURLPG-QWQRMKEZSA-N 0 0 399.878 3.460 20 30 GGEDRN C[C@@H]([NH2+][C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(N2CCCOC2=O)cc1 ZINC001593195545 994148272 /nfs/dbraw/zinc/14/82/72/994148272.db2.gz QMGRCJVZHPCDQN-AUUYWEPGSA-N 0 0 379.416 3.381 20 30 GGEDRN C[C@@H]([NH2+][C@H]1CCCN(CCC(=O)[O-])C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001593222052 994330269 /nfs/dbraw/zinc/33/02/69/994330269.db2.gz GHTBZVUKJIUDQW-IERDGZPVSA-N 0 0 391.471 3.342 20 30 GGEDRN C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593231451 994375819 /nfs/dbraw/zinc/37/58/19/994375819.db2.gz KJXDGQPFVYXGAZ-VGOFRKELSA-N 0 0 377.488 3.449 20 30 GGEDRN COc1cccc([C@H](C(=O)[O-])[N@H+](C)CC[C@](C#N)(C(C)=O)c2ccccc2)c1 ZINC001599646741 994436082 /nfs/dbraw/zinc/43/60/82/994436082.db2.gz FMHYXICTGAGPSD-IRLDBZIGSA-N 0 0 380.444 3.193 20 30 GGEDRN COc1cccc([C@@H](O)C2CC[NH+]([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC001599658938 994626576 /nfs/dbraw/zinc/62/65/76/994626576.db2.gz IAJFNRNXKVUXDU-SFTDATJTSA-N 0 0 380.444 3.138 20 30 GGEDRN COc1cccc([C@@H](O)C2CC[NH+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC001599658937 994626644 /nfs/dbraw/zinc/62/66/44/994626644.db2.gz IAJFNRNXKVUXDU-RTWAWAEBSA-N 0 0 380.444 3.138 20 30 GGEDRN COc1cccc([C@H]2[C@H]([NH2+]Cc3cccc(C(=O)[O-])c3C#N)CCN2C2CC2)c1 ZINC001599667415 994752663 /nfs/dbraw/zinc/75/26/63/994752663.db2.gz NOZWSDRTHHBBKV-YADHBBJMSA-N 0 0 391.471 3.333 20 30 GGEDRN COc1cccc([C@@H]2[C@@H]([NH2+]Cc3cccc(C(=O)[O-])c3C#N)CCN2C2CC2)c1 ZINC001599667412 994752791 /nfs/dbraw/zinc/75/27/91/994752791.db2.gz NOZWSDRTHHBBKV-FCHUYYIVSA-N 0 0 391.471 3.333 20 30 GGEDRN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C(=O)[O-])C1 ZINC001598801151 996139829 /nfs/dbraw/zinc/13/98/29/996139829.db2.gz QSIWZZGUGXVAMH-XLIONFOSSA-N 0 0 378.428 3.063 20 30 GGEDRN CC1(C)CCC[C@@]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)(C(=O)[O-])C1 ZINC001593896446 996753604 /nfs/dbraw/zinc/75/36/04/996753604.db2.gz XQQOCOZTIRMTPY-QRQCRPRQSA-N 0 0 392.459 3.237 20 30 GGEDRN COc1cc(C[NH2+][C@H](CC(=O)[O-])C2CC2)ccc1OCc1cccc(C#N)c1 ZINC001599415337 997498220 /nfs/dbraw/zinc/49/82/20/997498220.db2.gz ABMOSZCAPAVRBG-LJQANCHMSA-N 0 0 380.444 3.489 20 30 GGEDRN COc1ccc([C@@H]([NH2+]CCOc2ccc(C#N)cc2OC)C(=O)[O-])cc1Cl ZINC001599525992 997558459 /nfs/dbraw/zinc/55/84/59/997558459.db2.gz AATSBFBQBDCKDB-GOSISDBHSA-N 0 0 390.823 3.023 20 30 GGEDRN COc1ccc([C@H]([NH2+]CCOc2ccc(C#N)cc2OC)C(=O)[O-])cc1Cl ZINC001599525999 997559720 /nfs/dbraw/zinc/55/97/20/997559720.db2.gz AATSBFBQBDCKDB-SFHVURJKSA-N 0 0 390.823 3.023 20 30 GGEDRN COC(=O)c1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc(C(=O)[O-])c1 ZINC001598932609 997794918 /nfs/dbraw/zinc/79/49/18/997794918.db2.gz WRJFDYBGQOBEQH-UHFFFAOYSA-N 0 0 394.427 3.086 20 30 GGEDRN COc1cc(C#N)ccc1OCC[NH2+][C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001599350363 998082685 /nfs/dbraw/zinc/08/26/85/998082685.db2.gz NTTPFAFKMQBXTN-FQEVSTJZSA-N 0 0 388.851 3.275 20 30 GGEDRN COC(=O)c1cccc(C[NH2+][C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])c1C#N ZINC001598995616 998777439 /nfs/dbraw/zinc/77/74/39/998777439.db2.gz KDRKXXDOFDMYLJ-FQEVSTJZSA-N 0 0 386.835 3.174 20 30 GGEDRN COC(=O)c1cccc([C@@H](C(=O)[O-])[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC001598997557 998793928 /nfs/dbraw/zinc/79/39/28/998793928.db2.gz UFKKKMUBDQQSGV-FQEVSTJZSA-N 0 0 394.427 3.014 20 30 GGEDRN C[C@@H]1CC[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001594412978 999543860 /nfs/dbraw/zinc/54/38/60/999543860.db2.gz XCZYDTIKYBDWML-FHLIZLRMSA-N 0 0 387.480 3.167 20 30 GGEDRN C[C@@H]1CC[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001594412981 999544142 /nfs/dbraw/zinc/54/41/42/999544142.db2.gz XCZYDTIKYBDWML-ZTFGCOKTSA-N 0 0 387.480 3.167 20 30 GGEDRN C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCCC[C@@H]3C(=O)[O-])sc2C1 ZINC001594441438 999627295 /nfs/dbraw/zinc/62/72/95/999627295.db2.gz CIIXSCIPCCNWMS-XJKSGUPXSA-N 0 0 389.521 3.402 20 30 GGEDRN COc1cc(C[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C(=O)[O-])cc(OC)c1 ZINC000593947063 1126098724 /nfs/dbraw/zinc/09/87/24/1126098724.db2.gz DUDITELZQRZDAA-FQEVSTJZSA-N 0 0 382.460 3.290 20 30 GGEDRN 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393.285 3.303 20 30 GGEDRN CN(C(=O)CCC[S@@](=O)c1ccc(Br)cc1)C1(C#N)CCC1 ZINC000116734774 564216071 /nfs/dbraw/zinc/21/60/71/564216071.db2.gz WOTHNRGCUAMTSU-QFIPXVFZSA-N 0 0 383.311 3.242 20 30 GGEDRN C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000116807111 564217016 /nfs/dbraw/zinc/21/70/16/564217016.db2.gz IMVZFUVLWBFNNV-ZBEGNZNMSA-N 0 0 399.310 3.055 20 30 GGEDRN C[C@@H]1CCC[C@@](C#N)(NC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000116806463 564217112 /nfs/dbraw/zinc/21/71/12/564217112.db2.gz PCOLZFALLLPFCA-FZKQIMNGSA-N 0 0 392.297 3.158 20 30 GGEDRN C=CCNc1nnc(SCC(=O)Nc2ccccc2C(=O)OCC)s1 ZINC000005785705 564218572 /nfs/dbraw/zinc/21/85/72/564218572.db2.gz KRCLQKPANAURNS-UHFFFAOYSA-N 0 0 378.479 3.044 20 30 GGEDRN C=CC[C@@H](C)NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000116859835 564218991 /nfs/dbraw/zinc/21/89/91/564218991.db2.gz FCXGMQJKXINUQH-LLVKDONJSA-N 0 0 377.535 3.177 20 30 GGEDRN Cc1nc(Cc2nnc(SCC(=O)Nc3sccc3C#N)o2)cs1 ZINC000005832930 564219449 /nfs/dbraw/zinc/21/94/49/564219449.db2.gz GTOYQKIDRXTUQP-UHFFFAOYSA-N 0 0 377.476 3.089 20 30 GGEDRN C[C@@H]1CCc2c(sc3nc(SCC#N)n(C[C@H]4CCCO4)c(=O)c32)C1 ZINC000005878284 564219543 /nfs/dbraw/zinc/21/95/43/564219543.db2.gz AIVCLZZPURYNOZ-VXGBXAGGSA-N 0 0 375.519 3.377 20 30 GGEDRN C=CC[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1Br ZINC000116905866 564220214 /nfs/dbraw/zinc/22/02/14/564220214.db2.gz VASFTURGZAEHKC-MRVPVSSYSA-N 0 0 383.105 3.455 20 30 GGEDRN Cc1ccc(-n2cnnc2SCC(=O)N[C@](C)(C#N)C2CC2)cc1Cl ZINC000006104188 564220375 /nfs/dbraw/zinc/22/03/75/564220375.db2.gz QVYWPSGXEJSHEL-QGZVFWFLSA-N 0 0 375.885 3.130 20 30 GGEDRN C=CC[C@@H](C)NC(=O)C(=O)Nc1cc(OCC)c(OCC)cc1Br ZINC000117079458 564221622 /nfs/dbraw/zinc/22/16/22/564221622.db2.gz JLDARHKSWMKKDL-LLVKDONJSA-N 0 0 399.285 3.266 20 30 GGEDRN COc1ccc(Br)cc1CN(C)S(=O)(=O)c1cccc(C#N)c1 ZINC000006314341 564222270 /nfs/dbraw/zinc/22/22/70/564222270.db2.gz UEXSTUIRMMNRNV-UHFFFAOYSA-N 0 0 395.278 3.150 20 30 GGEDRN Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1I ZINC000006315394 564222449 /nfs/dbraw/zinc/22/24/49/564222449.db2.gz HUAJTCINJSIKET-UHFFFAOYSA-N 0 0 398.225 3.272 20 30 GGEDRN O=S(=O)(c1cc(F)ccc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117373357 564226277 /nfs/dbraw/zinc/22/62/77/564226277.db2.gz NGFQKAYDSNPFSL-UHFFFAOYSA-N 0 0 383.260 3.470 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117373154 564226296 /nfs/dbraw/zinc/22/62/96/564226296.db2.gz GRVDVGZQVHPBLF-UHFFFAOYSA-N 0 0 386.317 3.372 20 30 GGEDRN COc1ccc(S(=O)(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1F ZINC000117373429 564226752 /nfs/dbraw/zinc/22/67/52/564226752.db2.gz XMAQJPCMGRMQJT-UHFFFAOYSA-N 0 0 395.296 3.340 20 30 GGEDRN C=CCCCSc1nc2ccsc2c(=O)n1CCCN1CCOCC1 ZINC000117551549 564228482 /nfs/dbraw/zinc/22/84/82/564228482.db2.gz LKWDZIOEGSVQHX-UHFFFAOYSA-N 0 0 379.551 3.239 20 30 GGEDRN C[C@]1(c2cccc(Br)c2)NC(=O)N(Cc2ccccc2C#N)C1=O ZINC000007005756 564231135 /nfs/dbraw/zinc/23/11/35/564231135.db2.gz BGQRJKCXYVRIKT-GOSISDBHSA-N 0 0 384.233 3.288 20 30 GGEDRN N#CCCn1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000117740904 564231238 /nfs/dbraw/zinc/23/12/38/564231238.db2.gz GGTJGGHCFDPTFB-UHFFFAOYSA-N 0 0 378.763 3.270 20 30 GGEDRN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000007058730 564231761 /nfs/dbraw/zinc/23/17/61/564231761.db2.gz ODQHDGGYLQEUOY-UHFFFAOYSA-N 0 0 375.881 3.031 20 30 GGEDRN CN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)C1(C#N)CCC1 ZINC000117765790 564232224 /nfs/dbraw/zinc/23/22/24/564232224.db2.gz MNLMFDDONRUPES-UHFFFAOYSA-N 0 0 377.217 3.292 20 30 GGEDRN COCCNc1nnc(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000007177076 564233043 /nfs/dbraw/zinc/23/30/43/564233043.db2.gz DDMQQBWCLNYYIC-VIFPVBQESA-N 0 0 397.913 3.241 20 30 GGEDRN N#CCCn1ccc(NC(=O)c2n[nH]c(-c3ccccc3)c2Br)n1 ZINC000117855303 564233174 /nfs/dbraw/zinc/23/31/74/564233174.db2.gz RTLPCRGNHPNPKJ-UHFFFAOYSA-N 0 0 385.225 3.202 20 30 GGEDRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1C#N ZINC000007247303 564234552 /nfs/dbraw/zinc/23/45/52/564234552.db2.gz KKWXMFAMILNFCZ-UHFFFAOYSA-N 0 0 398.271 3.124 20 30 GGEDRN C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1cccc(Cl)c1Cl ZINC000117990075 564235077 /nfs/dbraw/zinc/23/50/77/564235077.db2.gz OGSFMJXSHAFRRO-LLVKDONJSA-N 0 0 376.243 3.472 20 30 GGEDRN CN(CCOc1ccc(Br)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000007304137 564235116 /nfs/dbraw/zinc/23/51/16/564235116.db2.gz QNEMWZBILDZRHZ-UHFFFAOYSA-N 0 0 395.278 3.020 20 30 GGEDRN C[C@@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)N(C)CCC#N ZINC000007454385 564236834 /nfs/dbraw/zinc/23/68/34/564236834.db2.gz VMVBVHIUNHUISG-SNVBAGLBSA-N 0 0 395.282 3.352 20 30 GGEDRN C=CCNc1nnc(SCC(=O)N(C)CCOc2ccc(Cl)cc2)s1 ZINC000007399453 564236866 /nfs/dbraw/zinc/23/68/66/564236866.db2.gz JMAMBPUMHDNQSX-UHFFFAOYSA-N 0 0 398.941 3.419 20 30 GGEDRN C=CCNc1nnc(S[C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)s1 ZINC000007475854 564237479 /nfs/dbraw/zinc/23/74/79/564237479.db2.gz ITTSZYRDQUDOOG-JTQLQIEISA-N 0 0 380.495 3.273 20 30 GGEDRN C[C@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)N(C)CCC#N ZINC000007631016 564239171 /nfs/dbraw/zinc/23/91/71/564239171.db2.gz OBRYSFQMJZUEKR-JTQLQIEISA-N 0 0 395.282 3.352 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000118554594 564241574 /nfs/dbraw/zinc/24/15/74/564241574.db2.gz MUYQLSCOAYVXSM-UHFFFAOYSA-N 0 0 379.507 3.232 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)Nc1ccc(CC)c(S(N)(=O)=O)c1 ZINC000118550352 564241617 /nfs/dbraw/zinc/24/16/17/564241617.db2.gz RVBRDXSLPMYYKE-UHFFFAOYSA-N 0 0 379.507 3.178 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000007980446 564243564 /nfs/dbraw/zinc/24/35/64/564243564.db2.gz IYXWKLZOELCKFY-UHFFFAOYSA-N 0 0 398.937 3.480 20 30 GGEDRN CN(CC(=O)Nc1sccc1C#N)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000008065669 564245291 /nfs/dbraw/zinc/24/52/91/564245291.db2.gz KIGMKUGOVUFZIU-UHFFFAOYSA-N 0 0 397.287 3.436 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(Br)c2)c1 ZINC000008206132 564246705 /nfs/dbraw/zinc/24/67/05/564246705.db2.gz HFRMRBNURWRYLX-UHFFFAOYSA-N 0 0 395.278 3.166 20 30 GGEDRN CN(CCOc1ccc(Br)cc1)C(=O)COc1cccc(C#N)c1 ZINC000008198654 564246801 /nfs/dbraw/zinc/24/68/01/564246801.db2.gz LZYLEXAXBSAUHU-UHFFFAOYSA-N 0 0 389.249 3.237 20 30 GGEDRN C=CCn1c(Sc2c([N+](=O)[O-])ncn2C)nc2sc(C)c(C)c2c1=O ZINC000008317981 564247649 /nfs/dbraw/zinc/24/76/49/564247649.db2.gz MMFIRCNVTVFULS-UHFFFAOYSA-N 0 0 377.451 3.054 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000009723279 564254169 /nfs/dbraw/zinc/25/41/69/564254169.db2.gz OZECBJVYKMIOBX-UHFFFAOYSA-N 0 0 398.937 3.480 20 30 GGEDRN C[C@@](C#N)(NC(=O)CSc1nnc(Nc2ccccc2F)s1)C1CC1 ZINC000010316428 564257557 /nfs/dbraw/zinc/25/75/57/564257557.db2.gz VMHZMGXVPFEXPS-INIZCTEOSA-N 0 0 377.470 3.321 20 30 GGEDRN C=CCn1c(SCC(=O)N2C[C@H](C)C[C@H](C)C2)nc2sccc2c1=O ZINC000010493886 564257728 /nfs/dbraw/zinc/25/77/28/564257728.db2.gz RXXSIIQFABOOFC-BETUJISGSA-N 0 0 377.535 3.241 20 30 GGEDRN C=CCn1c(S[C@@H](C)C(=O)N2CCC(C)CC2)nc2sccc2c1=O ZINC000010494387 564258080 /nfs/dbraw/zinc/25/80/80/564258080.db2.gz YNYOKCDPPFITAR-ZDUSSCGKSA-N 0 0 377.535 3.383 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)CSc1ccc(Br)cc1[N+](=O)[O-] ZINC000119178400 564258259 /nfs/dbraw/zinc/25/82/59/564258259.db2.gz JCBCBQZQGMCBDP-SNVBAGLBSA-N 0 0 386.271 3.458 20 30 GGEDRN N#CCCN(Cc1cccnc1)C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000119172764 564258360 /nfs/dbraw/zinc/25/83/60/564258360.db2.gz UFDLWFGNKGWSCH-MRXNPFEDSA-N 0 0 386.249 3.263 20 30 GGEDRN COc1cc(C#N)ccc1OCCS(=O)(=O)c1ccc(Br)cc1 ZINC000010892844 564260080 /nfs/dbraw/zinc/26/00/80/564260080.db2.gz UFNVMTQSWQGHEA-UHFFFAOYSA-N 0 0 396.262 3.182 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccnn1CC(C)C ZINC000119224828 564260078 /nfs/dbraw/zinc/26/00/78/564260078.db2.gz ZQJRZXZKZKRRDI-UHFFFAOYSA-N 0 0 380.901 3.407 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc([S@](C)=O)cc1 ZINC000119246475 564261633 /nfs/dbraw/zinc/26/16/33/564261633.db2.gz CGVJDWPLTKJZRF-RUZDIDTESA-N 0 0 396.921 3.292 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000119257279 564261942 /nfs/dbraw/zinc/26/19/42/564261942.db2.gz HTYVZPLVJWGBRM-UHFFFAOYSA-N 0 0 379.825 3.463 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cccnc1OCC ZINC000119249379 564262298 /nfs/dbraw/zinc/26/22/98/564262298.db2.gz XHIRRAFTMVNGKO-UHFFFAOYSA-N 0 0 379.869 3.349 20 30 GGEDRN Cc1cc(N(CCC#N)C(=O)CSc2nnnn2C2CC2)ccc1Cl ZINC000011277529 564262660 /nfs/dbraw/zinc/26/26/60/564262660.db2.gz ACIXMKBOSMSEOB-UHFFFAOYSA-N 0 0 376.873 3.009 20 30 GGEDRN CC[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1c(C)noc1C ZINC000119260551 564262730 /nfs/dbraw/zinc/26/27/30/564262730.db2.gz FBVYOYQGUVAVKR-CQSZACIVSA-N 0 0 398.282 3.355 20 30 GGEDRN C=CCNc1nnc(SCC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)s1 ZINC000011393022 564262781 /nfs/dbraw/zinc/26/27/81/564262781.db2.gz QMNMKQGQWDVTKJ-UHFFFAOYSA-N 0 0 380.495 3.233 20 30 GGEDRN C[C@H]1CCCN(Cc2csc([N-]S(=O)(=O)c3cccc(C#N)c3)n2)C1 ZINC000119258497 564262947 /nfs/dbraw/zinc/26/29/47/564262947.db2.gz KQLDYBZMTWNDET-ZDUSSCGKSA-N 0 0 376.507 3.047 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cc(C(=O)OC)cs1 ZINC000119259371 564262993 /nfs/dbraw/zinc/26/29/93/564262993.db2.gz WGXRSOSSXUPNJC-UHFFFAOYSA-N 0 0 398.893 3.403 20 30 GGEDRN CCCNC(=O)CSc1nnc(SCc2ccc(C#N)cc2F)s1 ZINC000011479191 564263595 /nfs/dbraw/zinc/26/35/95/564263595.db2.gz YKNBANFTQAADTE-UHFFFAOYSA-N 0 0 382.511 3.459 20 30 GGEDRN C=CCn1c2ncn(CC(=O)N[C@H](C)c3cccs3)c(=O)c2sc1=S ZINC000012516517 564268142 /nfs/dbraw/zinc/26/81/42/564268142.db2.gz MRLCYPLGFYDHGI-SNVBAGLBSA-N 0 0 392.531 3.114 20 30 GGEDRN C=CCN(CC(=O)N[C@@H](C)c1cccs1)S(=O)(=O)c1cccc(Cl)c1 ZINC000119589414 564278196 /nfs/dbraw/zinc/27/81/96/564278196.db2.gz LXTHVGSTSPBIJL-ZDUSSCGKSA-N 0 0 398.937 3.456 20 30 GGEDRN C=CCn1c(C)nnc1SCC(=O)Nc1sc(C)cc1C(=O)OCC ZINC000013990030 564278420 /nfs/dbraw/zinc/27/84/20/564278420.db2.gz PEHAIRXZTRBMFW-UHFFFAOYSA-N 0 0 380.495 3.050 20 30 GGEDRN C=CCN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1cccc(Cl)c1 ZINC000014353275 564281487 /nfs/dbraw/zinc/28/14/87/564281487.db2.gz DWGYAAWRKXTYIJ-UHFFFAOYSA-N 0 0 382.844 3.295 20 30 GGEDRN C=CCN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1cccc(Cl)c1 ZINC000014353299 564281508 /nfs/dbraw/zinc/28/15/08/564281508.db2.gz KWFXSTDPDIBOBF-UHFFFAOYSA-N 0 0 382.844 3.295 20 30 GGEDRN C=CCN(CC(=O)N[C@H](C)c1ccc(Cl)cc1)S(=O)(=O)c1cccs1 ZINC000014321588 564281855 /nfs/dbraw/zinc/28/18/55/564281855.db2.gz DRGTZXOOIOJBLB-CYBMUJFWSA-N 0 0 398.937 3.456 20 30 GGEDRN Cc1nsc(N2CCCN(c3ccc(C#N)cc3Br)CC2)n1 ZINC000119659688 564282174 /nfs/dbraw/zinc/28/21/74/564282174.db2.gz IAQCINYBIWQTKI-UHFFFAOYSA-N 0 0 378.299 3.197 20 30 GGEDRN N#Cc1ccsc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000014626655 564282591 /nfs/dbraw/zinc/28/25/91/564282591.db2.gz HMOVQGCDOKWZFJ-UHFFFAOYSA-N 0 0 375.475 3.047 20 30 GGEDRN C=CCn1c(N)nnc1SCc1nc(-c2cc(Br)cs2)no1 ZINC000119690958 564282987 /nfs/dbraw/zinc/28/29/87/564282987.db2.gz UKHUICXRFGFECF-UHFFFAOYSA-N 0 0 399.299 3.213 20 30 GGEDRN N#Cc1ccc(NCC(=O)Nc2ccccc2I)cc1 ZINC000015291306 564285509 /nfs/dbraw/zinc/28/55/09/564285509.db2.gz PISNUQPXIPRIMG-UHFFFAOYSA-N 0 0 377.185 3.213 20 30 GGEDRN N#Cc1cccc(NC(=O)CNc2ccccc2I)c1 ZINC000015289676 564285612 /nfs/dbraw/zinc/28/56/12/564285612.db2.gz NPDKUEVPMWEIQN-UHFFFAOYSA-N 0 0 377.185 3.213 20 30 GGEDRN CS(=O)(=O)c1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cs1 ZINC000119758277 564287147 /nfs/dbraw/zinc/28/71/47/564287147.db2.gz HAWOJKGOYZSFAD-LLVKDONJSA-N 0 0 389.285 3.453 20 30 GGEDRN C#CCCCCC(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000119833296 564290933 /nfs/dbraw/zinc/29/09/33/564290933.db2.gz RKTYLSBANLVDFT-UHFFFAOYSA-N 0 0 379.298 3.107 20 30 GGEDRN C[C@@]1(c2ccc(Br)cc2)NC(=O)N(Cc2ccccc2C#N)C1=O ZINC000016287630 564291823 /nfs/dbraw/zinc/29/18/23/564291823.db2.gz XTUIKFVMDBRCQY-SFHVURJKSA-N 0 0 384.233 3.288 20 30 GGEDRN N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000016149354 564292082 /nfs/dbraw/zinc/29/20/82/564292082.db2.gz FKQLVJJOZNDTLX-IBGZPJMESA-N 0 0 398.304 3.401 20 30 GGEDRN C[C@]1(c2ccc(Br)cc2)NC(=O)N(Cc2ccccc2C#N)C1=O ZINC000016287631 564292235 /nfs/dbraw/zinc/29/22/35/564292235.db2.gz XTUIKFVMDBRCQY-GOSISDBHSA-N 0 0 384.233 3.288 20 30 GGEDRN C=CCNC(=O)NC(=O)CSc1nnc(Nc2ccc(C)c(Cl)c2)s1 ZINC000016325419 564292891 /nfs/dbraw/zinc/29/28/91/564292891.db2.gz PWFUEFQNGDIZHQ-UHFFFAOYSA-N 0 0 397.913 3.347 20 30 GGEDRN N#Cc1ccsc1NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000016656827 564295003 /nfs/dbraw/zinc/29/50/03/564295003.db2.gz ULOBZGPMHPDQIY-UHFFFAOYSA-N 0 0 380.212 3.161 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccnc(C)c1 ZINC000119915188 564295106 /nfs/dbraw/zinc/29/51/06/564295106.db2.gz DGFRGZUGSCNIES-UHFFFAOYSA-N 0 0 390.237 3.440 20 30 GGEDRN N#Cc1ccsc1NC(=O)COc1cccc(I)c1 ZINC000016654557 564295253 /nfs/dbraw/zinc/29/52/53/564295253.db2.gz RREQJUDSLSCFLR-UHFFFAOYSA-N 0 0 384.198 3.242 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@](C)(C#N)C(C)C ZINC000119937610 564295882 /nfs/dbraw/zinc/29/58/82/564295882.db2.gz AYNVQLPOLCEVPE-KRWDZBQOSA-N 0 0 394.269 3.153 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)NCCc2ccc(F)c(Br)c2)c1 ZINC000119934119 564296036 /nfs/dbraw/zinc/29/60/36/564296036.db2.gz ODTLIFUZRJOFOQ-UHFFFAOYSA-N 0 0 397.269 3.122 20 30 GGEDRN CN(Cc1ccc(Br)s1)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000016734664 564296247 /nfs/dbraw/zinc/29/62/47/564296247.db2.gz ZDQHMFGDONOKLO-UHFFFAOYSA-N 0 0 385.308 3.344 20 30 GGEDRN N#Cc1cc(C(F)(F)F)ccc1NCCNS(=O)(=O)c1cccs1 ZINC000119997170 564299173 /nfs/dbraw/zinc/29/91/73/564299173.db2.gz HPHSGIRWBPCZFO-UHFFFAOYSA-N 0 0 375.397 3.029 20 30 GGEDRN C=CCCS(=O)(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000120203574 564308981 /nfs/dbraw/zinc/30/89/81/564308981.db2.gz SPOHWBPXYWHFHC-CQSZACIVSA-N 0 0 381.885 3.475 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nncn1-c1cccc(Cl)c1 ZINC000021463825 564311168 /nfs/dbraw/zinc/31/11/68/564311168.db2.gz JMMODMBAVURLQD-SJCJKPOMSA-N 0 0 377.901 3.456 20 30 GGEDRN Cc1sc2nc(SCC(=O)Nc3sccc3C#N)n(C)c(=O)c2c1C ZINC000021471225 564311174 /nfs/dbraw/zinc/31/11/74/564311174.db2.gz NGTCYTIVLAHFSS-UHFFFAOYSA-N 0 0 390.515 3.276 20 30 GGEDRN C[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)Nc1ccc(F)cc1Cl ZINC000021425255 564311201 /nfs/dbraw/zinc/31/12/01/564311201.db2.gz LJOFTERYHJLCCW-QMMMGPOBSA-N 0 0 375.816 3.319 20 30 GGEDRN CCCC(O)(CCC)CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000120241964 564311860 /nfs/dbraw/zinc/31/18/60/564311860.db2.gz VSDIJLKKRPHMHG-UHFFFAOYSA-N 0 0 378.416 3.187 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2Cl)c1 ZINC000021912705 564313009 /nfs/dbraw/zinc/31/30/09/564313009.db2.gz FMVQVFJMWMRTAG-UHFFFAOYSA-N 0 0 378.881 3.077 20 30 GGEDRN C=CCN(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000120315788 564314784 /nfs/dbraw/zinc/31/47/84/564314784.db2.gz ANACWMUIFWMEGK-LLVKDONJSA-N 0 0 380.363 3.052 20 30 GGEDRN C=CCCS(=O)(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000120326059 564315730 /nfs/dbraw/zinc/31/57/30/564315730.db2.gz HTXQZFOEUTWHNE-UHFFFAOYSA-N 0 0 384.255 3.349 20 30 GGEDRN Cc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1Br ZINC000120331567 564315828 /nfs/dbraw/zinc/31/58/28/564315828.db2.gz ZTRORPASJNCORI-UHFFFAOYSA-N 0 0 396.222 3.338 20 30 GGEDRN Cc1cccc(NS(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1Br ZINC000120330741 564315988 /nfs/dbraw/zinc/31/59/88/564315988.db2.gz XEYLCMWNTWAVNX-UHFFFAOYSA-N 0 0 396.222 3.338 20 30 GGEDRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc(C#N)c1 ZINC000022459077 564317618 /nfs/dbraw/zinc/31/76/18/564317618.db2.gz YDHZIXDEBYGODA-UHFFFAOYSA-N 0 0 398.271 3.124 20 30 GGEDRN C=CCN(CC=C)C(=O)[C@H](C)SCc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000022739226 564319446 /nfs/dbraw/zinc/31/94/46/564319446.db2.gz CXSJKMQWADOTHT-ZDUSSCGKSA-N 0 0 377.535 3.424 20 30 GGEDRN CN(CCOc1ccc(Cl)cc1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000120423640 564319575 /nfs/dbraw/zinc/31/95/75/564319575.db2.gz IWPJJKGMZALJRT-UHFFFAOYSA-N 0 0 382.844 3.191 20 30 GGEDRN C=CCN(C(=O)Nc1cccc(SC(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000120451150 564320470 /nfs/dbraw/zinc/32/04/70/564320470.db2.gz APGPEGOMPXDPLL-LBPRGKRZSA-N 0 0 376.450 3.208 20 30 GGEDRN C=CCN(C(=O)Nc1cccc(SC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000120450993 564320607 /nfs/dbraw/zinc/32/06/07/564320607.db2.gz APGPEGOMPXDPLL-GFCCVEGCSA-N 0 0 376.450 3.208 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCc1nc([C@@H]2CCOC2)no1 ZINC000120471390 564321143 /nfs/dbraw/zinc/32/11/43/564321143.db2.gz WPILOYLCROWOIR-LLVKDONJSA-N 0 0 394.225 3.185 20 30 GGEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1Br ZINC000120491722 564323028 /nfs/dbraw/zinc/32/30/28/564323028.db2.gz IZSCTHVWYYXLPB-UHFFFAOYSA-N 0 0 382.195 3.030 20 30 GGEDRN C[C@H](C#N)OC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000023417481 564324255 /nfs/dbraw/zinc/32/42/55/564324255.db2.gz LLFARUYZTYRQTB-SNVBAGLBSA-N 0 0 382.800 3.349 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 ZINC000120544664 564325115 /nfs/dbraw/zinc/32/51/15/564325115.db2.gz WRUODHGXZYEXCC-MRXNPFEDSA-N 0 0 380.441 3.493 20 30 GGEDRN CCN(CC)C(=O)CSCCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000120534480 564325128 /nfs/dbraw/zinc/32/51/28/564325128.db2.gz SFNBJOYFWBRATI-UHFFFAOYSA-N 0 0 379.551 3.429 20 30 GGEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCSc1ccc(Cl)cc1 ZINC000120587153 564328104 /nfs/dbraw/zinc/32/81/04/564328104.db2.gz HRKLVSBWBCBMKW-UHFFFAOYSA-N 0 0 377.901 3.090 20 30 GGEDRN C[C@H](CC#N)N(C)C(=O)Nc1cc(F)c(F)cc1I ZINC000120613925 564329005 /nfs/dbraw/zinc/32/90/05/564329005.db2.gz ZBQGYYZKUUUJJH-SSDOTTSWSA-N 0 0 379.148 3.335 20 30 GGEDRN COC(=O)CN(CC#N)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000120717376 564333670 /nfs/dbraw/zinc/33/36/70/564333670.db2.gz WTMNVSUCTCRYHY-UHFFFAOYSA-N 0 0 384.244 3.256 20 30 GGEDRN N#Cc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000025055479 564335477 /nfs/dbraw/zinc/33/54/77/564335477.db2.gz HIJOJVCJAKGMQK-CYBMUJFWSA-N 0 0 395.893 3.065 20 30 GGEDRN C=CCNc1nnc(S[C@@H](C)C(=O)NC(=O)Nc2ccccc2F)s1 ZINC000025079047 564335686 /nfs/dbraw/zinc/33/56/86/564335686.db2.gz WUIUVDFJHSTVEF-VIFPVBQESA-N 0 0 381.458 3.104 20 30 GGEDRN N#Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000025055485 564336009 /nfs/dbraw/zinc/33/60/09/564336009.db2.gz HIJOJVCJAKGMQK-ZDUSSCGKSA-N 0 0 395.893 3.065 20 30 GGEDRN COc1cc(C#N)ccc1CN(CCO)Cc1cc(Br)ccc1F ZINC000120830840 564339283 /nfs/dbraw/zinc/33/92/83/564339283.db2.gz IJADJGWTKJCTTF-UHFFFAOYSA-N 0 0 393.256 3.463 20 30 GGEDRN CN1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)c2cc(F)ccc21 ZINC000120850776 564339674 /nfs/dbraw/zinc/33/96/74/564339674.db2.gz IDSWIGZMXAYPBH-UHFFFAOYSA-N 0 0 379.844 3.386 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)c2csc(Br)c2)CC1 ZINC000026023454 564343457 /nfs/dbraw/zinc/34/34/57/564343457.db2.gz PWGHDBRLQNFEAZ-UHFFFAOYSA-N 0 0 394.269 3.484 20 30 GGEDRN Cn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nc2ccsc2c1=O ZINC000026102853 564343725 /nfs/dbraw/zinc/34/37/25/564343725.db2.gz OKZSYTZCTJJYRF-UHFFFAOYSA-N 0 0 390.877 3.251 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)c1Br ZINC000120937438 564343997 /nfs/dbraw/zinc/34/39/97/564343997.db2.gz ATMPCLIQNVACIK-GFCCVEGCSA-N 0 0 386.249 3.445 20 30 GGEDRN CCOCCCNC(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N ZINC000026143703 564344504 /nfs/dbraw/zinc/34/45/04/564344504.db2.gz OFLBPSBSZMEVPW-LLVKDONJSA-N 0 0 375.416 3.304 20 30 GGEDRN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000026333546 564345467 /nfs/dbraw/zinc/34/54/67/564345467.db2.gz KYNRRIMQKYWRHH-CYBMUJFWSA-N 0 0 384.307 3.453 20 30 GGEDRN CN(Cc1nc(C(F)(F)F)cs1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000120967959 564346290 /nfs/dbraw/zinc/34/62/90/564346290.db2.gz QOPXWCGAJOGGGV-UHFFFAOYSA-N 0 0 393.387 3.134 20 30 GGEDRN Cc1cnc(CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)o1 ZINC000120985622 564347191 /nfs/dbraw/zinc/34/71/91/564347191.db2.gz SEAWXEVCEYSMKD-MRXNPFEDSA-N 0 0 375.270 3.128 20 30 GGEDRN Cc1nc(CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)oc1C ZINC000120980217 564347316 /nfs/dbraw/zinc/34/73/16/564347316.db2.gz CLCAKTDHABHVHJ-KRWDZBQOSA-N 0 0 389.297 3.436 20 30 GGEDRN N#Cc1ccc(F)c(CNS(=O)(=O)Cc2ccc(Br)cc2)c1 ZINC000121029074 564349227 /nfs/dbraw/zinc/34/92/27/564349227.db2.gz XBNZGLQRSPUWKW-UHFFFAOYSA-N 0 0 383.242 3.079 20 30 GGEDRN C=CCN(C(=O)[C@H]1C[C@H]1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000121060471 564351209 /nfs/dbraw/zinc/35/12/09/564351209.db2.gz FMFJHHPZSCJXMZ-DOMZBBRYSA-N 0 0 376.503 3.389 20 30 GGEDRN CN(Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000027051745 564352042 /nfs/dbraw/zinc/35/20/42/564352042.db2.gz UDMSLLXCZHPOSE-KRWDZBQOSA-N 0 0 398.260 3.085 20 30 GGEDRN CN(CCC#N)S(=O)(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000027978005 564358681 /nfs/dbraw/zinc/35/86/81/564358681.db2.gz RHIJAHBGZILDRQ-UHFFFAOYSA-N 0 0 398.941 3.219 20 30 GGEDRN CN(C)S(=O)(=O)c1ccc(CSCCOc2cccc(C#N)c2)cc1 ZINC000121270773 564362151 /nfs/dbraw/zinc/36/21/51/564362151.db2.gz CWZTVDKWRWMASA-UHFFFAOYSA-N 0 0 376.503 3.121 20 30 GGEDRN C[C@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccc(Cl)s1 ZINC000028410814 564362856 /nfs/dbraw/zinc/36/28/56/564362856.db2.gz KOPKBDPDFVQTMH-LBPRGKRZSA-N 0 0 375.885 3.261 20 30 GGEDRN Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)Nc1nccs1 ZINC000029064905 564366936 /nfs/dbraw/zinc/36/69/36/564366936.db2.gz BQPTXVXVWDOUJD-UHFFFAOYSA-N 0 0 397.298 3.373 20 30 GGEDRN COc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1I ZINC000121506880 564371600 /nfs/dbraw/zinc/37/16/00/564371600.db2.gz FIBBPYCMPNNZJF-LLVKDONJSA-N 0 0 378.169 3.185 20 30 GGEDRN COc1ccc(S(=O)(=O)N(C)CCCC(C)(C)C#N)cc1Br ZINC000121516566 564372624 /nfs/dbraw/zinc/37/26/24/564372624.db2.gz VPXDXHGCOHCQLH-UHFFFAOYSA-N 0 0 389.315 3.408 20 30 GGEDRN C=CCN(C)C(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000121528467 564373061 /nfs/dbraw/zinc/37/30/61/564373061.db2.gz SMYVTCQSKFLNMI-UHFFFAOYSA-N 0 0 381.263 3.379 20 30 GGEDRN COc1cc(C#N)ccc1CN(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000121544902 564373801 /nfs/dbraw/zinc/37/38/01/564373801.db2.gz GIVXKCDCYFSNLD-INIZCTEOSA-N 0 0 376.865 3.181 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)c3cc(Br)c[nH]3)CC2)nc1 ZINC000121554555 564374622 /nfs/dbraw/zinc/37/46/22/564374622.db2.gz JRDKTOZPCVHPGO-UHFFFAOYSA-N 0 0 389.253 3.164 20 30 GGEDRN N#Cc1ccc(CN2CCCN(C(=O)c3cncc(Br)c3)CC2)cc1 ZINC000029983697 564376042 /nfs/dbraw/zinc/37/60/42/564376042.db2.gz BWOPWTIXRZVVCZ-UHFFFAOYSA-N 0 0 399.292 3.064 20 30 GGEDRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C#N)cc2)cc1Br ZINC000030359968 564379934 /nfs/dbraw/zinc/37/99/34/564379934.db2.gz WFJVUVHZYAZBMC-LLVKDONJSA-N 0 0 395.278 3.369 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1ccco1 ZINC000031204824 564387147 /nfs/dbraw/zinc/38/71/47/564387147.db2.gz NSAJCJZUUMMTJX-UHFFFAOYSA-N 0 0 379.210 3.008 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ncccc1C ZINC000031215575 564387575 /nfs/dbraw/zinc/38/75/75/564387575.db2.gz WETGHBVNRQMEGB-UHFFFAOYSA-N 0 0 390.237 3.440 20 30 GGEDRN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1Br ZINC000031238376 564388253 /nfs/dbraw/zinc/38/82/53/564388253.db2.gz DBSZLSCIEVNDQL-CQSZACIVSA-N 0 0 396.329 3.133 20 30 GGEDRN N#Cc1cc(Br)ccc1N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000121820617 564388594 /nfs/dbraw/zinc/38/85/94/564388594.db2.gz ZLZCUGJELGJSHB-UHFFFAOYSA-N 0 0 396.292 3.291 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1csc(Br)c1 ZINC000031422569 564389103 /nfs/dbraw/zinc/38/91/03/564389103.db2.gz DPHRAIGLWAFZOX-UHFFFAOYSA-N 0 0 395.326 3.487 20 30 GGEDRN CCc1ccc(C(=O)N(C)c2cc(Cl)ccc2C#N)cc1S(C)(=O)=O ZINC000121849892 564389409 /nfs/dbraw/zinc/38/94/09/564389409.db2.gz GBGLOSNMHDWBSK-UHFFFAOYSA-N 0 0 376.865 3.454 20 30 GGEDRN N#C[C@]1(NC(=O)c2ccc(Cl)c(I)c2)CCSC1 ZINC000121849855 564389456 /nfs/dbraw/zinc/38/94/56/564389456.db2.gz FVCCFXMPBOIELC-GFCCVEGCSA-N 0 0 392.649 3.074 20 30 GGEDRN CC(C)(C#N)c1ccccc1Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000121862350 564390440 /nfs/dbraw/zinc/39/04/40/564390440.db2.gz XFZIPYQQZYDPPA-UHFFFAOYSA-N 0 0 376.210 3.368 20 30 GGEDRN C[C@H](C(=O)Nc1ccccc1C#N)n1nnc(-c2ccc(Br)cc2)n1 ZINC000031731592 564391545 /nfs/dbraw/zinc/39/15/45/564391545.db2.gz KDPCXXFOKHWYHZ-LLVKDONJSA-N 0 0 397.236 3.174 20 30 GGEDRN N#Cc1cccc(NC(=O)CCn2nnc(-c3ccc(Br)cc3)n2)c1 ZINC000031731949 564391589 /nfs/dbraw/zinc/39/15/89/564391589.db2.gz HOVMREQDUGWIRR-UHFFFAOYSA-N 0 0 397.236 3.003 20 30 GGEDRN CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000121936790 564393441 /nfs/dbraw/zinc/39/34/41/564393441.db2.gz IETLTLCGWWKQEI-UHFFFAOYSA-N 0 0 377.853 3.071 20 30 GGEDRN CC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000121932461 564393503 /nfs/dbraw/zinc/39/35/03/564393503.db2.gz QLQHOZSXPJUYFP-UHFFFAOYSA-N 0 0 377.853 3.151 20 30 GGEDRN C=CCNC(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC000031812801 564393597 /nfs/dbraw/zinc/39/35/97/564393597.db2.gz OAXVUJWLCAEIHD-GOSISDBHSA-N 0 0 387.277 3.151 20 30 GGEDRN CN(C)S(=O)(=O)c1cccc(CSCCOc2cccc(C#N)c2)c1 ZINC000122061231 564398353 /nfs/dbraw/zinc/39/83/53/564398353.db2.gz SUECIMWVCSCWFI-UHFFFAOYSA-N 0 0 376.503 3.121 20 30 GGEDRN N#Cc1cccc(NC(=O)C(=O)NCC2(c3ccccc3Br)CC2)c1 ZINC000122093500 564400080 /nfs/dbraw/zinc/40/00/80/564400080.db2.gz QWPZJUJJOSBECV-UHFFFAOYSA-N 0 0 398.260 3.107 20 30 GGEDRN CC(=O)N[C@H](CC(=O)N[C@H](C#N)C(C)(C)C)c1ccc(Br)cc1 ZINC000122144580 564400970 /nfs/dbraw/zinc/40/09/70/564400970.db2.gz KRWHSUBBGMXBGQ-HUUCEWRRSA-N 0 0 380.286 3.071 20 30 GGEDRN CCn1c2ccc(Br)cc2nc1NC(=O)C1(C#N)CCOCC1 ZINC000122147769 564401928 /nfs/dbraw/zinc/40/19/28/564401928.db2.gz ZFMJBFULPZMSTF-UHFFFAOYSA-N 0 0 377.242 3.078 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(CNC(C)=O)cc1 ZINC000032514039 564402180 /nfs/dbraw/zinc/40/21/80/564402180.db2.gz UYBDZPQLKAWOKY-UHFFFAOYSA-N 0 0 398.937 3.415 20 30 GGEDRN C[C@@H](Cc1ccc(F)c(Br)c1)NS(=O)(=O)CCCCC#N ZINC000122163035 564402374 /nfs/dbraw/zinc/40/23/74/564402374.db2.gz PUELLYIAISLWDF-NSHDSACASA-N 0 0 377.279 3.132 20 30 GGEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCSc2ncccc21 ZINC000122160030 564402570 /nfs/dbraw/zinc/40/25/70/564402570.db2.gz BQOSJEKLNFBWGX-UHFFFAOYSA-N 0 0 385.392 3.273 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000032616567 564403527 /nfs/dbraw/zinc/40/35/27/564403527.db2.gz AKLWJNVIAYWXGG-UHFFFAOYSA-N 0 0 376.243 3.253 20 30 GGEDRN N#CCSCC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000032647868 564404251 /nfs/dbraw/zinc/40/42/51/564404251.db2.gz JIMWYJRUFPYGSU-UHFFFAOYSA-N 0 0 395.893 3.336 20 30 GGEDRN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C#N)C(C)(C)C)c1 ZINC000122214334 564405322 /nfs/dbraw/zinc/40/53/22/564405322.db2.gz ARMYIHVSPSSKDL-OAHLLOKOSA-N 0 0 385.917 3.037 20 30 GGEDRN COc1ccc(Br)cc1CN(C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000032832183 564406316 /nfs/dbraw/zinc/40/63/16/564406316.db2.gz HKGWPTOHKNXTLM-UGSOOPFHSA-N 0 0 396.329 3.332 20 30 GGEDRN COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H](C#N)C(C)(C)C ZINC000122293869 564407577 /nfs/dbraw/zinc/40/75/77/564407577.db2.gz KNLVRFSBLUWEMN-HNNXBMFYSA-N 0 0 381.270 3.475 20 30 GGEDRN CC(C)(C)[C@H](C#N)NC(=O)CCC(=O)c1ccc(I)cc1 ZINC000122294333 564408003 /nfs/dbraw/zinc/40/80/03/564408003.db2.gz OYGOEFSGEVESED-AWEZNQCLSA-N 0 0 398.244 3.309 20 30 GGEDRN COc1ccc(CS(=O)(=O)Cc2ccc(C#N)cc2)cc1Br ZINC000122342699 564409803 /nfs/dbraw/zinc/40/98/03/564409803.db2.gz OWWQYSAWTAADRX-UHFFFAOYSA-N 0 0 380.263 3.444 20 30 GGEDRN N#CCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1 ZINC000033906259 564414117 /nfs/dbraw/zinc/41/41/17/564414117.db2.gz NIWJVMCBBKGCOF-UHFFFAOYSA-N 0 0 398.225 3.158 20 30 GGEDRN C=CCn1c(SCCN2C(=O)CCC2=O)nnc1-c1cccc(Cl)c1 ZINC000122560327 564418950 /nfs/dbraw/zinc/41/89/50/564418950.db2.gz CYZPQBHJQKCQAT-UHFFFAOYSA-N 0 0 376.869 3.026 20 30 GGEDRN C=CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nc2sccc2c1=O ZINC000036800103 564419594 /nfs/dbraw/zinc/41/95/94/564419594.db2.gz DHFIUVDLVFIFKA-OCCSQVGLSA-N 0 0 377.535 3.431 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2c(Cl)cnn2C)cc1 ZINC000122625405 564421321 /nfs/dbraw/zinc/42/13/21/564421321.db2.gz KCBSRJLVVJVPRD-ZHACJKMWSA-N 0 0 381.885 3.000 20 30 GGEDRN C=CCOc1c(Br)cc(CN2CCC[C@@H]2C(=O)N(C)C)cc1OC ZINC000122684608 564422810 /nfs/dbraw/zinc/42/28/10/564422810.db2.gz IDOUSHXMXWPLAX-OAHLLOKOSA-N 0 0 397.313 3.075 20 30 GGEDRN CC(=O)N1CCc2c(C#N)c(NC(=O)c3ccc(Br)o3)sc2C1 ZINC000038804642 564424478 /nfs/dbraw/zinc/42/44/78/564424478.db2.gz KEIIFLCVBPMYHT-UHFFFAOYSA-N 0 0 394.250 3.132 20 30 GGEDRN N#Cc1ccsc1NC(=O)CN1CCc2ccc(Br)cc2C1 ZINC000039304001 564424489 /nfs/dbraw/zinc/42/44/89/564424489.db2.gz IGPYROXMUZHUAE-UHFFFAOYSA-N 0 0 376.279 3.379 20 30 GGEDRN CCC[C@@H](C#N)NS(=O)(=O)c1cc(Br)ccc1Br ZINC000040363808 564427192 /nfs/dbraw/zinc/42/71/92/564427192.db2.gz DGPCTHRWGXDEKK-VIFPVBQESA-N 0 0 396.104 3.182 20 30 GGEDRN C[C@H](CC#N)NC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000122809124 564428377 /nfs/dbraw/zinc/42/83/77/564428377.db2.gz AHVGZMFJKWTKKR-MNOVXSKESA-N 0 0 386.304 3.329 20 30 GGEDRN C[C@@H](CC#N)NC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000122809366 564428467 /nfs/dbraw/zinc/42/84/67/564428467.db2.gz AHVGZMFJKWTKKR-WDEREUQCSA-N 0 0 386.304 3.329 20 30 GGEDRN Cc1cc([C@@H](C#N)C(=O)c2ccc(I)cc2)nc(C)n1 ZINC000041574319 564434633 /nfs/dbraw/zinc/43/46/33/564434633.db2.gz HVPOMTXVJUROOO-CYBMUJFWSA-N 0 0 377.185 3.188 20 30 GGEDRN Cc1cc([C@H](C#N)C(=O)c2cccc(I)c2)nc(C)n1 ZINC000041574230 564434860 /nfs/dbraw/zinc/43/48/60/564434860.db2.gz GPIOKZWRFHQCNI-ZDUSSCGKSA-N 0 0 377.185 3.188 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCc1ccco1 ZINC000041775455 564436781 /nfs/dbraw/zinc/43/67/81/564436781.db2.gz IBKGXQSNWXUGJR-UHFFFAOYSA-N 0 0 393.237 3.050 20 30 GGEDRN N#Cc1ccsc1NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000123037716 564436749 /nfs/dbraw/zinc/43/67/49/564436749.db2.gz PDFLXOXESBLAJZ-UHFFFAOYSA-N 0 0 396.241 3.280 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)C1CCCC1 ZINC000041787573 564436962 /nfs/dbraw/zinc/43/69/62/564436962.db2.gz ZNDQCYNQLFBBPY-UHFFFAOYSA-N 0 0 381.270 3.499 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)NCc2ccc(Br)s2)ccc1Cl ZINC000041951251 564438926 /nfs/dbraw/zinc/43/89/26/564438926.db2.gz RZDCZXPAUSSPCB-UHFFFAOYSA-N 0 0 398.669 3.291 20 30 GGEDRN C=CCn1c(SCC(=O)N(C)c2nccs2)nnc1-c1cccs1 ZINC000123135139 564439301 /nfs/dbraw/zinc/43/93/01/564439301.db2.gz XNVGIXVMERPIOC-UHFFFAOYSA-N 0 0 377.520 3.404 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccnc(OCC(F)F)c1)c1cccc(Br)c1 ZINC000123137284 564439401 /nfs/dbraw/zinc/43/94/01/564439401.db2.gz OEBRHAVUPJKWRO-CYBMUJFWSA-N 0 0 396.191 3.483 20 30 GGEDRN N#Cc1cc(Br)ccc1OCC(=O)N1CCc2sccc2C1 ZINC000123113846 564439577 /nfs/dbraw/zinc/43/95/77/564439577.db2.gz REZFVNNEXHCSKN-UHFFFAOYSA-N 0 0 377.263 3.346 20 30 GGEDRN CN(C)S(=O)(=O)c1cccc(COc2ccc(Br)cc2C#N)c1 ZINC000123173552 564440857 /nfs/dbraw/zinc/44/08/57/564440857.db2.gz BGTCICACMZFAPZ-UHFFFAOYSA-N 0 0 395.278 3.150 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123188904 564441019 /nfs/dbraw/zinc/44/10/19/564441019.db2.gz BJKAMZCOYNFZRB-UHFFFAOYSA-N 0 0 379.463 3.437 20 30 GGEDRN N#Cc1cc(Br)ccc1OCC(=O)NCCc1c(F)cccc1F ZINC000123176692 564441068 /nfs/dbraw/zinc/44/10/68/564441068.db2.gz RNCIGKKDQJPMFO-UHFFFAOYSA-N 0 0 395.203 3.337 20 30 GGEDRN CS(=O)(=O)c1cccc(OCCOc2ccc(Br)cc2C#N)c1 ZINC000123178449 564441248 /nfs/dbraw/zinc/44/12/48/564441248.db2.gz NQBRJWUHICKVOC-UHFFFAOYSA-N 0 0 396.262 3.182 20 30 GGEDRN CCCCS[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000042120139 564441933 /nfs/dbraw/zinc/44/19/33/564441933.db2.gz BHVZXRMEMFIERR-ZDUSSCGKSA-N 0 0 383.539 3.018 20 30 GGEDRN CN(CCC#N)C(=O)c1ccc(I)c(Br)c1 ZINC000123206451 564442200 /nfs/dbraw/zinc/44/22/00/564442200.db2.gz SWJWSTJTMJJTOQ-UHFFFAOYSA-N 0 0 393.022 3.039 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)c1cc(Br)ccc1Br ZINC000042277405 564444982 /nfs/dbraw/zinc/44/49/82/564444982.db2.gz BUCCPNGFHWIJMW-UHFFFAOYSA-N 0 0 396.104 3.136 20 30 GGEDRN N#Cc1c(F)cccc1N1CCN(C(=O)NCc2ccc(Cl)s2)CC1 ZINC000042321619 564445297 /nfs/dbraw/zinc/44/52/97/564445297.db2.gz YIFRJQDIAUNLEJ-UHFFFAOYSA-N 0 0 378.860 3.444 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123387202 564447097 /nfs/dbraw/zinc/44/70/97/564447097.db2.gz UBFDQRXDGHSVIY-UHFFFAOYSA-N 0 0 377.447 3.213 20 30 GGEDRN N#Cc1ccc(NC(=O)CN(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1Cl ZINC000123645160 564456668 /nfs/dbraw/zinc/45/66/68/564456668.db2.gz GLHJRRCIFFNEQP-HZPDHXFCSA-N 0 0 379.913 3.137 20 30 GGEDRN N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)cc1 ZINC000043739595 564460968 /nfs/dbraw/zinc/46/09/68/564460968.db2.gz MIGJBJCLCKZGEN-ZDUSSCGKSA-N 0 0 384.233 3.312 20 30 GGEDRN N#Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)c1 ZINC000043739945 564461161 /nfs/dbraw/zinc/46/11/61/564461161.db2.gz SOENOHHQVASQHZ-ZDUSSCGKSA-N 0 0 384.233 3.312 20 30 GGEDRN Cc1nc(NC(=O)Cc2csc(NC(=O)C(C)C)n2)sc1SCC#N ZINC000044790192 564472480 /nfs/dbraw/zinc/47/24/80/564472480.db2.gz RDPBOWFVXLPILW-UHFFFAOYSA-N 0 0 395.535 3.299 20 30 GGEDRN C=CCN(Cc1ccccc1F)C(=O)CCn1cc(Br)ccc1=O ZINC000124239576 564476100 /nfs/dbraw/zinc/47/61/00/564476100.db2.gz CUINHTQHRPFKHM-UHFFFAOYSA-N 0 0 393.256 3.355 20 30 GGEDRN C=CCn1c(N)nnc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000045022992 564476874 /nfs/dbraw/zinc/47/68/74/564476874.db2.gz RXTSIDXBEZLZQE-UHFFFAOYSA-N 0 0 391.806 3.449 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000045244506 564479711 /nfs/dbraw/zinc/47/97/11/564479711.db2.gz AGXAKICRPFMQJO-UHFFFAOYSA-N 0 0 376.243 3.253 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)COc1ccc(F)cc1Br ZINC000045243983 564479922 /nfs/dbraw/zinc/47/99/22/564479922.db2.gz CYTPBVWEBFCIQY-UHFFFAOYSA-N 0 0 377.213 3.497 20 30 GGEDRN N#Cc1cccc(NC(=O)CS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000045295916 564480618 /nfs/dbraw/zinc/48/06/18/564480618.db2.gz ZCKDJEPXYXVIOG-UHFFFAOYSA-N 0 0 383.256 3.419 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)N[C@@H]2CCCSC2)nnc1-c1ccco1 ZINC000124451039 564482381 /nfs/dbraw/zinc/48/23/81/564482381.db2.gz URIKSCJIPXPYIV-CYBMUJFWSA-N 0 0 378.523 3.218 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)N[C@H]2CCCSC2)nnc1-c1ccco1 ZINC000124451233 564482440 /nfs/dbraw/zinc/48/24/40/564482440.db2.gz URIKSCJIPXPYIV-ZDUSSCGKSA-N 0 0 378.523 3.218 20 30 GGEDRN O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1n[nH]c(C(F)(F)F)n1 ZINC000045572162 564486288 /nfs/dbraw/zinc/48/62/88/564486288.db2.gz MAHOGDXUAVTTPC-UHFFFAOYSA-N 0 0 382.129 3.148 20 30 GGEDRN N#C[C@]1(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)CCSC1 ZINC000124591417 564487038 /nfs/dbraw/zinc/48/70/38/564487038.db2.gz MKKDUXSROUFOQY-QGZVFWFLSA-N 0 0 376.869 3.228 20 30 GGEDRN COCCNc1nnc(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000045697713 564487957 /nfs/dbraw/zinc/48/79/57/564487957.db2.gz JGBPZYDJCSYMKI-UHFFFAOYSA-N 0 0 397.913 3.242 20 30 GGEDRN N#Cc1ccc(NC(=O)CCSc2nnnn2C2CCCC2)cc1Cl ZINC000045698036 564488024 /nfs/dbraw/zinc/48/80/24/564488024.db2.gz JQOQOBOTKKTKMZ-UHFFFAOYSA-N 0 0 376.873 3.434 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2SC)cc1 ZINC000046101961 564494554 /nfs/dbraw/zinc/49/45/54/564494554.db2.gz QXRZBZSNCQTKGK-UHFFFAOYSA-N 0 0 376.503 3.467 20 30 GGEDRN N#CCCCCS(=O)(=O)Cc1nc(-c2cccc(Br)c2)no1 ZINC000124904354 564497525 /nfs/dbraw/zinc/49/75/25/564497525.db2.gz DFKXPLVEDJHDGW-UHFFFAOYSA-N 0 0 384.255 3.108 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1C ZINC000125004059 564500173 /nfs/dbraw/zinc/50/01/73/564500173.db2.gz DFIRMUOGDPZDIK-LBPRGKRZSA-N 0 0 377.901 3.236 20 30 GGEDRN N#CCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C1CCCC1 ZINC000125029218 564500634 /nfs/dbraw/zinc/50/06/34/564500634.db2.gz MTILEDLBEWHVQW-CYBMUJFWSA-N 0 0 390.281 3.097 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)NCc1cc(Br)cs1 ZINC000046257792 564500728 /nfs/dbraw/zinc/50/07/28/564500728.db2.gz YNPIPOPSPJXXOD-UHFFFAOYSA-N 0 0 381.251 3.086 20 30 GGEDRN CCn1c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2ccsc2c1=O ZINC000046569422 564503610 /nfs/dbraw/zinc/50/36/10/564503610.db2.gz QZWRVIPMAIEIKH-PIGZYNQJSA-N 0 0 378.523 3.013 20 30 GGEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000046894798 564510075 /nfs/dbraw/zinc/51/00/75/564510075.db2.gz SHSWGGMTDOWFSH-UHFFFAOYSA-N 0 0 383.256 3.419 20 30 GGEDRN Cc1sc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1CS(C)(=O)=O ZINC000125361462 564512074 /nfs/dbraw/zinc/51/20/74/564512074.db2.gz ZVSCRWRFSUMBLM-UHFFFAOYSA-N 0 0 379.507 3.282 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)cc1 ZINC000047166384 564514708 /nfs/dbraw/zinc/51/47/08/564514708.db2.gz NWZPHWPCWIUFLL-QGZVFWFLSA-N 0 0 376.503 3.190 20 30 GGEDRN CS(=O)(=O)c1ccc(OCCC(=O)Nc2ccc(Cl)c(C#N)c2)cc1 ZINC000125440699 564514848 /nfs/dbraw/zinc/51/48/48/564514848.db2.gz VZFWWNDPIBKXOP-UHFFFAOYSA-N 0 0 378.837 3.023 20 30 GGEDRN COc1ccc(C#N)cc1Cn1cc(Br)cc(Br)c1=O ZINC000125518404 564516660 /nfs/dbraw/zinc/51/66/60/564516660.db2.gz LCLUXOBVERTXJI-UHFFFAOYSA-N 0 0 398.054 3.302 20 30 GGEDRN O=C(COc1ccc(Br)cc1F)Nc1n[nH]c(-c2ccccn2)n1 ZINC000047343250 564518991 /nfs/dbraw/zinc/51/89/91/564518991.db2.gz XRRQFRHHYXVZIZ-UHFFFAOYSA-N 0 0 392.188 3.435 20 30 GGEDRN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccc(Br)s2)C1=O ZINC000047347232 564519045 /nfs/dbraw/zinc/51/90/45/564519045.db2.gz CNADEHOPGXFEEX-INIZCTEOSA-N 0 0 390.262 3.349 20 30 GGEDRN C=CCN(CC=C)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000047339741 564519314 /nfs/dbraw/zinc/51/93/14/564519314.db2.gz IBQWVHPLHKDBIU-UHFFFAOYSA-N 0 0 376.503 3.041 20 30 GGEDRN N#Cc1ccc(CSc2nnc(NC(=O)N3CCSCC3)s2)cc1 ZINC000047783243 564526714 /nfs/dbraw/zinc/52/67/14/564526714.db2.gz XGTHHRLJUMNCKF-UHFFFAOYSA-N 0 0 377.520 3.283 20 30 GGEDRN CN(Cc1nc(C(F)(F)F)cs1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125827887 564528027 /nfs/dbraw/zinc/52/80/27/564528027.db2.gz QOSMIPYMTWTSQT-UHFFFAOYSA-N 0 0 397.350 3.132 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000125808191 564528262 /nfs/dbraw/zinc/52/82/62/564528262.db2.gz NQBKETLFISJZRQ-SJORKVTESA-N 0 0 376.503 3.038 20 30 GGEDRN CCn1c(SCC(=O)N[C@@H](C)C#N)nnc1-c1ccc(Cl)cc1Cl ZINC000125921049 564531070 /nfs/dbraw/zinc/53/10/70/564531070.db2.gz FNCKXOKVYONXPD-VIFPVBQESA-N 0 0 384.292 3.392 20 30 GGEDRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1cccc(C#N)c1 ZINC000048092948 564531585 /nfs/dbraw/zinc/53/15/85/564531585.db2.gz IAFFELVFLFBHKJ-NSHDSACASA-N 0 0 376.243 3.300 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cc(Br)c(OC)cc1OC ZINC000125959171 564532257 /nfs/dbraw/zinc/53/22/57/564532257.db2.gz VGIUABOQWRYJDV-LLVKDONJSA-N 0 0 399.285 3.266 20 30 GGEDRN N#C[C@@H]1CN(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CCO1 ZINC000126108983 564536863 /nfs/dbraw/zinc/53/68/63/564536863.db2.gz RAIQJVPVJRANET-SNVBAGLBSA-N 0 0 380.178 3.029 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000126211053 564541167 /nfs/dbraw/zinc/54/11/67/564541167.db2.gz MOEZJXBICFHBAQ-UHFFFAOYSA-N 0 0 384.277 3.212 20 30 GGEDRN Cc1ccc(Br)c(S(=O)(=O)N(CCC#N)Cc2ccco2)c1 ZINC000126239325 564542099 /nfs/dbraw/zinc/54/20/99/564542099.db2.gz KQKYBCFWSSZDKI-UHFFFAOYSA-N 0 0 383.267 3.455 20 30 GGEDRN CCN(CCC#N)C(=O)COc1ccc(Br)cc1Br ZINC000048581783 564542839 /nfs/dbraw/zinc/54/28/39/564542839.db2.gz FEHFNVOOJVTCCN-UHFFFAOYSA-N 0 0 390.075 3.353 20 30 GGEDRN N#CCCCCS(=O)(=O)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000126261139 564542746 /nfs/dbraw/zinc/54/27/46/564542746.db2.gz SKZHGFQWACSURO-GOSISDBHSA-N 0 0 378.519 3.307 20 30 GGEDRN CC(C)(C)[C@@H](C#N)NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000126270292 564542952 /nfs/dbraw/zinc/54/29/52/564542952.db2.gz PNSQEDVIUVFHPJ-SNVBAGLBSA-N 0 0 383.670 3.458 20 30 GGEDRN N#Cc1cccc(OCCCSCCNS(=O)(=O)c2ccccc2)c1 ZINC000126474239 564550356 /nfs/dbraw/zinc/55/03/56/564550356.db2.gz KQGLQZUHHZFACQ-UHFFFAOYSA-N 0 0 376.503 3.039 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000126497681 564551628 /nfs/dbraw/zinc/55/16/28/564551628.db2.gz RKAKFCGOMJKWEX-INIZCTEOSA-N 0 0 381.274 3.015 20 30 GGEDRN N#CCN(CC#N)C(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000126546653 564553122 /nfs/dbraw/zinc/55/31/22/564553122.db2.gz UOXXXSJJFZJRRQ-UHFFFAOYSA-N 0 0 381.280 3.052 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCC[C@H]1C ZINC000049890067 564554286 /nfs/dbraw/zinc/55/42/86/564554286.db2.gz LFJKIZUNZVRVHV-GFCCVEGCSA-N 0 0 381.270 3.499 20 30 GGEDRN N#CCN(CC#N)C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000126569249 564554327 /nfs/dbraw/zinc/55/43/27/564554327.db2.gz LNHCIGWYNZBYAM-UHFFFAOYSA-N 0 0 398.264 3.003 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCC[C@@H]1C ZINC000049890066 564554740 /nfs/dbraw/zinc/55/47/40/564554740.db2.gz LFJKIZUNZVRVHV-LBPRGKRZSA-N 0 0 381.270 3.499 20 30 GGEDRN C[C@@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Cl)s1 ZINC000050100224 564556364 /nfs/dbraw/zinc/55/63/64/564556364.db2.gz ZCQMKYJFXFIDHF-GFCCVEGCSA-N 0 0 375.885 3.261 20 30 GGEDRN C=CCN(CC(=O)N1CCN(Cc2cccs2)CC1)Cc1cccs1 ZINC000050274463 564556809 /nfs/dbraw/zinc/55/68/09/564556809.db2.gz SUFLYKKDZHWIKE-UHFFFAOYSA-N 0 0 375.563 3.142 20 30 GGEDRN Cc1nc(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)sc1C ZINC000126661618 564557521 /nfs/dbraw/zinc/55/75/21/564557521.db2.gz MAPUETVCACVDJG-UHFFFAOYSA-N 0 0 389.424 3.171 20 30 GGEDRN C=CCN(CC=C)C(=O)CSc1nc2cc(Br)c(C)nc2[nH]1 ZINC000126696238 564558248 /nfs/dbraw/zinc/55/82/48/564558248.db2.gz IQRFBQSNSRQGFR-UHFFFAOYSA-N 0 0 381.299 3.322 20 30 GGEDRN C=C(C)CNC(=O)C(=O)Nc1cc(C(=O)OC(C)(C)C)ccc1Br ZINC000126693581 564558377 /nfs/dbraw/zinc/55/83/77/564558377.db2.gz YCVWVKSGPFBWCW-UHFFFAOYSA-N 0 0 397.269 3.035 20 30 GGEDRN C=CCN(C(=O)c1cnc(-c2ccccc2Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000050589814 564558557 /nfs/dbraw/zinc/55/85/57/564558557.db2.gz AHWVKDLKXNLIPD-GFCCVEGCSA-N 0 0 396.921 3.279 20 30 GGEDRN CCc1cc(C#N)c(NC(=O)CSCc2cc(=O)n3ccsc3n2)s1 ZINC000126801736 564562734 /nfs/dbraw/zinc/56/27/34/564562734.db2.gz ZSGAMRYHOGJWGC-UHFFFAOYSA-N 0 0 390.515 3.123 20 30 GGEDRN CCc1cc(C#N)c(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)s1 ZINC000126816073 564563947 /nfs/dbraw/zinc/56/39/47/564563947.db2.gz PROYBZGORJHKQJ-UHFFFAOYSA-N 0 0 381.479 3.104 20 30 GGEDRN C=C(C)CNC(=O)C(=O)Nc1ccnn1[C@@H](C)c1cc(Cl)ccc1Cl ZINC000126813197 564563975 /nfs/dbraw/zinc/56/39/75/564563975.db2.gz UUFMYDLBWKJDPI-NSHDSACASA-N 0 0 381.263 3.430 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1csc(-c2ccco2)n1 ZINC000126839129 564565046 /nfs/dbraw/zinc/56/50/46/564565046.db2.gz PJEBSBXEGJTXGY-UHFFFAOYSA-N 0 0 379.850 3.407 20 30 GGEDRN CCc1nnc(NC(=O)CN(C)C(=O)c2ccc(Br)s2)s1 ZINC000051473738 564565109 /nfs/dbraw/zinc/56/51/09/564565109.db2.gz GGWKJRONONVKPB-UHFFFAOYSA-N 0 0 389.300 3.285 20 30 GGEDRN CC(C)NS(=O)(=O)Cc1ccc(CNc2snc(Cl)c2C#N)cc1 ZINC000051505610 564565191 /nfs/dbraw/zinc/56/51/91/564565191.db2.gz NCVLODLBNGJBTO-UHFFFAOYSA-N 0 0 384.914 3.108 20 30 GGEDRN CCCNC(=O)[C@H]1CCCN(C(=O)Nc2nnc(-c3ccsc3)s2)C1 ZINC000051642066 564565930 /nfs/dbraw/zinc/56/59/30/564565930.db2.gz IJNIOANTBDIALG-NSHDSACASA-N 0 0 379.511 3.050 20 30 GGEDRN C=CCN(CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccc(Cl)s1 ZINC000051681046 564566159 /nfs/dbraw/zinc/56/61/59/564566159.db2.gz IQPNNURVTSHKAQ-UHFFFAOYSA-N 0 0 384.929 3.191 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(C)ccc1Cl ZINC000126890736 564566532 /nfs/dbraw/zinc/56/65/32/564566532.db2.gz CFCXTOHFXJHDSP-UHFFFAOYSA-N 0 0 378.881 3.357 20 30 GGEDRN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CCC2CC2)CC1 ZINC000126938620 564568654 /nfs/dbraw/zinc/56/86/54/564568654.db2.gz FPYOWVREWHGLJM-KRWDZBQOSA-N 0 0 376.298 3.348 20 30 GGEDRN N#Cc1ccsc1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000052033564 564569261 /nfs/dbraw/zinc/56/92/61/564569261.db2.gz KQHFNJFHDHXSJF-UHFFFAOYSA-N 0 0 388.250 3.274 20 30 GGEDRN COC(=O)[C@@H](NC(=O)c1sccc1C#N)c1ccc(Br)cc1 ZINC000052050620 564569392 /nfs/dbraw/zinc/56/93/92/564569392.db2.gz YHHMQNUUEVAUFA-LBPRGKRZSA-N 0 0 379.235 3.026 20 30 GGEDRN CN(CC(=O)Nc1ccccc1Br)C(=O)c1sccc1C#N ZINC000052028736 564569411 /nfs/dbraw/zinc/56/94/11/564569411.db2.gz FQNMECCCLAKHHZ-UHFFFAOYSA-N 0 0 378.251 3.093 20 30 GGEDRN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1sccc1C#N ZINC000052028629 564569482 /nfs/dbraw/zinc/56/94/82/564569482.db2.gz DFKRXINSGPPDRB-UHFFFAOYSA-N 0 0 392.278 3.401 20 30 GGEDRN Cc1nc(SCC(=O)NCCCOCC(F)(F)F)c(C#N)c(C)c1C ZINC000127022174 564570199 /nfs/dbraw/zinc/57/01/99/564570199.db2.gz DYSILSSLOYQKNX-UHFFFAOYSA-N 0 0 375.416 3.056 20 30 GGEDRN CC[C@](C)(C#N)NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000127023278 564570293 /nfs/dbraw/zinc/57/02/93/564570293.db2.gz XPGUHDNWMIPPEK-CQSZACIVSA-N 0 0 383.271 3.302 20 30 GGEDRN C[C@@](C#N)(NC(=O)CN1CCC[C@@H]1c1cccc(Br)c1)C1CC1 ZINC000052213829 564570625 /nfs/dbraw/zinc/57/06/25/564570625.db2.gz LJVQNTDBUWPZLQ-AEFFLSMTSA-N 0 0 376.298 3.394 20 30 GGEDRN C[C@H](Sc1nnc(-c2ccc(Br)cc2)o1)C(=O)N(C)CCC#N ZINC000052431899 564571479 /nfs/dbraw/zinc/57/14/79/564571479.db2.gz UPQSXRPHXQFIRC-JTQLQIEISA-N 0 0 395.282 3.352 20 30 GGEDRN N#Cc1cnn2c1[nH]c(CSc1nnc(-c3ccc(Cl)s3)o1)cc2=O ZINC000127030158 564571613 /nfs/dbraw/zinc/57/16/13/564571613.db2.gz TVTHZQNTHZSGIT-UHFFFAOYSA-N 0 0 390.837 3.364 20 30 GGEDRN N#Cc1c(Cl)nsc1N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000052385115 564571724 /nfs/dbraw/zinc/57/17/24/564571724.db2.gz NWSHXOMWTLSJJB-UHFFFAOYSA-N 0 0 381.288 3.213 20 30 GGEDRN C[C@@](C#N)(NC(=O)CN1CCC[C@@H]1c1ccc(Br)cc1)C1CC1 ZINC000052453035 564572507 /nfs/dbraw/zinc/57/25/07/564572507.db2.gz ZBTHZYQVXOFSJS-AEFFLSMTSA-N 0 0 376.298 3.394 20 30 GGEDRN COc1cccc(Nc2nnc(S[C@@H](C)C(=O)N(C)CCC#N)s2)c1 ZINC000052449032 564572521 /nfs/dbraw/zinc/57/25/21/564572521.db2.gz PYVVMFOSZZVPPO-NSHDSACASA-N 0 0 377.495 3.143 20 30 GGEDRN CCn1c(S[C@H](C)C(=O)N(C)CCC#N)nnc1-c1cccc(Cl)c1 ZINC000052442146 564572555 /nfs/dbraw/zinc/57/25/55/564572555.db2.gz POPMJHAWKXVNTO-GFCCVEGCSA-N 0 0 377.901 3.471 20 30 GGEDRN COCCn1c2ccc(Cl)cc2nc1S[C@H](C)C(=O)N(C)CCC#N ZINC000052448755 564572677 /nfs/dbraw/zinc/57/26/77/564572677.db2.gz PIOQUPTYVNTAFJ-GFCCVEGCSA-N 0 0 380.901 3.189 20 30 GGEDRN C[C@H](Sc1nccn1-c1ccc(Br)cc1)C(=O)N(C)CCC#N ZINC000052460042 564572682 /nfs/dbraw/zinc/57/26/82/564572682.db2.gz FPRSUZGSLVMCKL-LBPRGKRZSA-N 0 0 393.310 3.487 20 30 GGEDRN CCOC(=O)N[C@@H]1CCCN(C(=O)Nc2nnc(-c3ccsc3)s2)C1 ZINC000052495995 564573191 /nfs/dbraw/zinc/57/31/91/564573191.db2.gz OKTVJKINUQCCFP-LLVKDONJSA-N 0 0 381.483 3.023 20 30 GGEDRN CN(CC(=O)N(C)Cc1cc(Br)cs1)Cc1cccc(C#N)c1 ZINC000052580475 564574337 /nfs/dbraw/zinc/57/43/37/564574337.db2.gz XJFOIKVRVVZMQJ-UHFFFAOYSA-N 0 0 392.322 3.473 20 30 GGEDRN COc1ccc(Br)cc1SCc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC000127140826 564575319 /nfs/dbraw/zinc/57/53/19/564575319.db2.gz PFPNBPSQOBSPJX-UHFFFAOYSA-N 0 0 391.250 3.370 20 30 GGEDRN C=C(C)CN(CC)C(=O)C[S@](=O)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000127181127 564576014 /nfs/dbraw/zinc/57/60/14/564576014.db2.gz YBQGGXJZLRUMLP-VWLOTQADSA-N 0 0 381.885 3.063 20 30 GGEDRN C=C(C)CN(CC)C(=O)C[S@@](=O)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000127180919 564576021 /nfs/dbraw/zinc/57/60/21/564576021.db2.gz YBQGGXJZLRUMLP-RUZDIDTESA-N 0 0 381.885 3.063 20 30 GGEDRN CN(CCC1CCOCC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000127223815 564577290 /nfs/dbraw/zinc/57/72/90/564577290.db2.gz DGSYPGVSDKMKSE-UHFFFAOYSA-N 0 0 376.400 3.014 20 30 GGEDRN C=CCn1nnnc1SCc1csc(-c2ccc(OC)cc2OC)n1 ZINC000052895293 564578564 /nfs/dbraw/zinc/57/85/64/564578564.db2.gz DGORRMZDQVANRC-UHFFFAOYSA-N 0 0 375.479 3.292 20 30 GGEDRN C=CCn1nnnc1SCc1nc(-c2cc(Br)cs2)no1 ZINC000052911575 564578692 /nfs/dbraw/zinc/57/86/92/564578692.db2.gz CLHABLBBLGJEGG-UHFFFAOYSA-N 0 0 385.272 3.025 20 30 GGEDRN C=CCn1nnnc1S[C@H](C(=O)N1CCSc2ccccc21)C(C)C ZINC000052911015 564578703 /nfs/dbraw/zinc/57/87/03/564578703.db2.gz ANPOJFWGKQEKJC-HNNXBMFYSA-N 0 0 375.523 3.115 20 30 GGEDRN Cc1ccc(Br)c(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000127307430 564579909 /nfs/dbraw/zinc/57/99/09/564579909.db2.gz GOABWILURMQJPH-UHFFFAOYSA-N 0 0 386.249 3.226 20 30 GGEDRN CCc1ccsc1C(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000052938917 564580522 /nfs/dbraw/zinc/58/05/22/564580522.db2.gz XMZODWMHKPZLGN-UHFFFAOYSA-N 0 0 377.491 3.033 20 30 GGEDRN C=CCCOCCNC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000127368319 564581797 /nfs/dbraw/zinc/58/17/97/564581797.db2.gz IIHWCYBQYHFWSP-MRXNPFEDSA-N 0 0 383.286 3.125 20 30 GGEDRN N#Cc1ccsc1NC(=O)CN1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000053089436 564582042 /nfs/dbraw/zinc/58/20/42/564582042.db2.gz UKTVLBFMMRUXCJ-UHFFFAOYSA-N 0 0 396.303 3.082 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C ZINC000053171191 564582203 /nfs/dbraw/zinc/58/22/03/564582203.db2.gz LXUQIWSWSLIMOT-LBPRGKRZSA-N 0 0 377.901 3.236 20 30 GGEDRN CCN(CCC#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC ZINC000053189323 564583052 /nfs/dbraw/zinc/58/30/52/564583052.db2.gz CPWGRQCHHVHBFU-UHFFFAOYSA-N 0 0 377.901 3.473 20 30 GGEDRN C=CCNc1nnc(SCC(=O)N[C@@H](C)Cc2c(F)cccc2F)s1 ZINC000053280714 564584096 /nfs/dbraw/zinc/58/40/96/564584096.db2.gz GLCZOHVFNDFBNJ-JTQLQIEISA-N 0 0 384.477 3.254 20 30 GGEDRN C=CCNc1nnc(SCC(=O)Nc2nc3c(cccc3OC)s2)s1 ZINC000053281209 564584822 /nfs/dbraw/zinc/58/48/22/564584822.db2.gz FDGJGEYFJPMCNH-UHFFFAOYSA-N 0 0 393.519 3.485 20 30 GGEDRN CCN(CCC#N)C(=O)CSc1nccn1-c1ccc(Br)cc1 ZINC000053532064 564590573 /nfs/dbraw/zinc/59/05/73/564590573.db2.gz SLNJLTDXEQMFIS-UHFFFAOYSA-N 0 0 393.310 3.489 20 30 GGEDRN CCC[C@H](C)N1C[C@H](C(=O)N[C@@H](C#N)c2cccc(Br)c2)CC1=O ZINC000127666438 564591570 /nfs/dbraw/zinc/59/15/70/564591570.db2.gz XDUWTBRGARDGLN-BJJXKVORSA-N 0 0 392.297 3.167 20 30 GGEDRN C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000127660294 564591701 /nfs/dbraw/zinc/59/17/01/564591701.db2.gz ONKKNFIVWPKRIQ-LRDDRELGSA-N 0 0 392.297 3.215 20 30 GGEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CSc2cccs2)CC1 ZINC000127690406 564592185 /nfs/dbraw/zinc/59/21/85/564592185.db2.gz CIYSZBLRDPKNLM-MRXNPFEDSA-N 0 0 375.494 3.388 20 30 GGEDRN CCc1cc(C#N)c(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc(F)cc2)s1 ZINC000127688852 564592555 /nfs/dbraw/zinc/59/25/55/564592555.db2.gz SHRCKFQSGVPKPI-NSHDSACASA-N 0 0 380.466 3.370 20 30 GGEDRN CCc1cc(C#N)c(NC(=O)[C@H](C)CS(=O)(=O)c2ccc(F)cc2)s1 ZINC000127689095 564592565 /nfs/dbraw/zinc/59/25/65/564592565.db2.gz SHRCKFQSGVPKPI-LLVKDONJSA-N 0 0 380.466 3.370 20 30 GGEDRN CC(C)c1noc(CCC(=O)N[C@H](C#N)c2cccc(Br)c2)n1 ZINC000127718476 564593497 /nfs/dbraw/zinc/59/34/97/564593497.db2.gz UGEABUIPKYVAIL-CYBMUJFWSA-N 0 0 377.242 3.269 20 30 GGEDRN N#Cc1ccc(CN2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000053702008 564593712 /nfs/dbraw/zinc/59/37/12/564593712.db2.gz GBTJMKFQHDLVHE-UHFFFAOYSA-N 0 0 395.937 3.170 20 30 GGEDRN COCc1c(Br)cccc1NC(=O)COc1ccccc1C#N ZINC000127761281 564594859 /nfs/dbraw/zinc/59/48/59/564594859.db2.gz FRJULHMKJKIPME-UHFFFAOYSA-N 0 0 375.222 3.485 20 30 GGEDRN CC(=O)N1CCc2cc(C(=O)N[C@@H](C#N)c3cccc(Br)c3)ccc21 ZINC000127774536 564595278 /nfs/dbraw/zinc/59/52/78/564595278.db2.gz GGVIYVDOAZHLJO-KRWDZBQOSA-N 0 0 398.260 3.353 20 30 GGEDRN C=CCc1ccc(OC[C@@H](O)CSc2nnc(CSC)o2)c(OC)c1 ZINC000053943390 564595720 /nfs/dbraw/zinc/59/57/20/564595720.db2.gz PANDYSUYXLKSGK-CYBMUJFWSA-N 0 0 382.507 3.202 20 30 GGEDRN COc1ccc(CC(=O)N[C@H](C#N)c2cccc(Br)c2)cc1OC ZINC000127806979 564596902 /nfs/dbraw/zinc/59/69/02/564596902.db2.gz JXIVWYPUZDTLHY-OAHLLOKOSA-N 0 0 389.249 3.390 20 30 GGEDRN N#Cc1ccc([C@@H](O)CS(=O)(=O)Cc2csc(C3CCCC3)n2)cc1 ZINC000127803217 564597092 /nfs/dbraw/zinc/59/70/92/564597092.db2.gz ZGYZJYQELNHMQM-KRWDZBQOSA-N 0 0 376.503 3.321 20 30 GGEDRN Cc1cc(Br)ccc1NC(=O)CNC(=O)Nc1cccc(C#N)c1 ZINC000053963522 564597182 /nfs/dbraw/zinc/59/71/82/564597182.db2.gz QRZVHBSLQKNEHK-UHFFFAOYSA-N 0 0 387.237 3.389 20 30 GGEDRN N#C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000127810464 564597379 /nfs/dbraw/zinc/59/73/79/564597379.db2.gz VJGCREWKOJLMIG-ZDUSSCGKSA-N 0 0 390.193 3.117 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000054127874 564599766 /nfs/dbraw/zinc/59/97/66/564599766.db2.gz AAXRBTYRPABHKI-UHFFFAOYSA-N 0 0 397.294 3.390 20 30 GGEDRN CCCN(CC#N)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000128045333 564604338 /nfs/dbraw/zinc/60/43/38/564604338.db2.gz FCECSWQQRYJWMY-UHFFFAOYSA-N 0 0 385.205 3.392 20 30 GGEDRN N#C[C@@H](NC(=O)Cc1ccccc1I)c1ccccc1F ZINC000128046855 564605981 /nfs/dbraw/zinc/60/59/81/564605981.db2.gz ATEMQDZKDMXILJ-OAHLLOKOSA-N 0 0 394.187 3.354 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000128097288 564606512 /nfs/dbraw/zinc/60/65/12/564606512.db2.gz RAXRARLWTRRNKZ-JTQLQIEISA-N 0 0 392.175 3.215 20 30 GGEDRN N#Cc1nncn1CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000054746783 564608535 /nfs/dbraw/zinc/60/85/35/564608535.db2.gz COGDDCJHPHCEFZ-UHFFFAOYSA-N 0 0 379.232 3.219 20 30 GGEDRN N#Cc1cccc(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000054865057 564610740 /nfs/dbraw/zinc/61/07/40/564610740.db2.gz JKUSXFGUBWTYHL-INIZCTEOSA-N 0 0 384.233 3.312 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N(CCCO)Cc1cccc(Cl)c1 ZINC000128277988 564613188 /nfs/dbraw/zinc/61/31/88/564613188.db2.gz LKVKKZUUKPAGKH-UHFFFAOYSA-N 0 0 399.299 3.438 20 30 GGEDRN Cc1cccc(S(=O)(=O)N(CCCO)Cc2cccc(Cl)c2)c1C#N ZINC000128271762 564613859 /nfs/dbraw/zinc/61/38/59/564613859.db2.gz FCSBXLJHVINLCW-UHFFFAOYSA-N 0 0 378.881 3.093 20 30 GGEDRN CSC[C@@H](C)C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000128308030 564614152 /nfs/dbraw/zinc/61/41/52/564614152.db2.gz LQRFSRANWVPTRM-CJNGLKHVSA-N 0 0 396.354 3.157 20 30 GGEDRN CSC[C@H](C)C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000128307803 564614282 /nfs/dbraw/zinc/61/42/82/564614282.db2.gz LQRFSRANWVPTRM-BBRMVZONSA-N 0 0 396.354 3.157 20 30 GGEDRN N#Cc1ccc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cc1 ZINC000128339418 564615527 /nfs/dbraw/zinc/61/55/27/564615527.db2.gz WJCXGTLZLYJLQN-UHFFFAOYSA-N 0 0 386.293 3.447 20 30 GGEDRN Cc1cc(Br)cc2c1N(S(=O)(=O)c1ccc(C#N)nc1)CCC2 ZINC000128386565 564617069 /nfs/dbraw/zinc/61/70/69/564617069.db2.gz LOEYRLAIIUEJFC-UHFFFAOYSA-N 0 0 392.278 3.166 20 30 GGEDRN C=CCNc1ncc(C(=O)Nc2ccc(CS(=O)(=O)C(C)C)cc2)s1 ZINC000128386942 564617656 /nfs/dbraw/zinc/61/76/56/564617656.db2.gz VOHBAZZYEBHLME-UHFFFAOYSA-N 0 0 379.507 3.317 20 30 GGEDRN N#Cc1cc(NC(=O)c2ccc(Br)cc2-n2cncn2)ccc1F ZINC000128703445 564626669 /nfs/dbraw/zinc/62/66/69/564626669.db2.gz PQQDLLISJXICDZ-UHFFFAOYSA-N 0 0 386.184 3.293 20 30 GGEDRN Cn1c2cc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)ccc2[nH]c1=O ZINC000128715220 564627203 /nfs/dbraw/zinc/62/72/03/564627203.db2.gz GNXXFGGQMHDNEY-CYBMUJFWSA-N 0 0 375.215 3.168 20 30 GGEDRN Cc1nc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)ccc1Br ZINC000128745600 564628078 /nfs/dbraw/zinc/62/80/78/564628078.db2.gz KQMDRNGFMNUYDN-UHFFFAOYSA-N 0 0 387.237 3.319 20 30 GGEDRN C[C@H](NC(=O)C1(C#N)CCCC1)c1cc2c(cc1Br)OCCO2 ZINC000055784456 564631126 /nfs/dbraw/zinc/63/11/26/564631126.db2.gz UFAFDUUIIHIFND-NSHDSACASA-N 0 0 379.254 3.481 20 30 GGEDRN N#C[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1cccc(Br)c1 ZINC000128841857 564631307 /nfs/dbraw/zinc/63/13/07/564631307.db2.gz ASOLGCBDKOSRSP-HNNXBMFYSA-N 0 0 397.232 3.335 20 30 GGEDRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000128972335 564634877 /nfs/dbraw/zinc/63/48/77/564634877.db2.gz XFOHKQPCOGSWKI-ACJLOTCBSA-N 0 0 378.881 3.407 20 30 GGEDRN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000128972780 564635341 /nfs/dbraw/zinc/63/53/41/564635341.db2.gz XFOHKQPCOGSWKI-FZKQIMNGSA-N 0 0 378.881 3.407 20 30 GGEDRN COc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1I ZINC000128993025 564635729 /nfs/dbraw/zinc/63/57/29/564635729.db2.gz UFDQVYYTYYOLNO-UHFFFAOYSA-N 0 0 392.196 3.101 20 30 GGEDRN COc1ccc(C(=O)NCc2cccc(C#N)c2)cc1I ZINC000128984618 564635971 /nfs/dbraw/zinc/63/59/71/564635971.db2.gz BYAHRIHXJHQAJN-UHFFFAOYSA-N 0 0 392.196 3.101 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(F)cc1Br)c1ccc(C#N)cc1 ZINC000056049265 564638354 /nfs/dbraw/zinc/63/83/54/564638354.db2.gz GMVYDZBBWLUXAA-SNVBAGLBSA-N 0 0 383.242 3.499 20 30 GGEDRN CCc1ccc([C@H]2COCCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)o1 ZINC000129208652 564641435 /nfs/dbraw/zinc/64/14/35/564641435.db2.gz XBXTUDCCGGYIDF-MRXNPFEDSA-N 0 0 380.853 3.129 20 30 GGEDRN CCC[C@H]1SCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000129388307 564647664 /nfs/dbraw/zinc/64/76/64/564647664.db2.gz WHVDFKPUTDKOID-CYBMUJFWSA-N 0 0 375.313 3.184 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N(CC)C[C@@H](C)C#N ZINC000056411742 564648473 /nfs/dbraw/zinc/64/84/73/564648473.db2.gz HLEGPXUJXJOOSP-LBPRGKRZSA-N 0 0 394.269 3.106 20 30 GGEDRN N#CCCN(Cc1ccccn1)C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000129523236 564651080 /nfs/dbraw/zinc/65/10/80/564651080.db2.gz FAHLTKATJJBYLM-INIZCTEOSA-N 0 0 386.249 3.263 20 30 GGEDRN N#CCCN(Cc1ccccn1)C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000129523008 564651517 /nfs/dbraw/zinc/65/15/17/564651517.db2.gz FAHLTKATJJBYLM-MRXNPFEDSA-N 0 0 386.249 3.263 20 30 GGEDRN C[C@@](C#N)(NC(=O)CNc1cc(Br)ccc1N1CCCC1)C1CC1 ZINC000129644366 564655190 /nfs/dbraw/zinc/65/51/90/564655190.db2.gz WITVPHZRAWBVIN-SFHVURJKSA-N 0 0 391.313 3.270 20 30 GGEDRN C[C@](C#N)(NC(=O)CNc1cc(Br)ccc1N1CCCC1)C1CC1 ZINC000129644176 564655290 /nfs/dbraw/zinc/65/52/90/564655290.db2.gz WITVPHZRAWBVIN-GOSISDBHSA-N 0 0 391.313 3.270 20 30 GGEDRN CCOc1ccc(Br)cc1S(=O)(=O)N(CC)C[C@@H](C)C#N ZINC000057023419 564658290 /nfs/dbraw/zinc/65/82/90/564658290.db2.gz PIUCZVFFKSVTEF-NSHDSACASA-N 0 0 375.288 3.018 20 30 GGEDRN COc1ccc(Br)cc1C(=O)CCC(=O)N(CCC#N)CCC#N ZINC000057027396 564658301 /nfs/dbraw/zinc/65/83/01/564658301.db2.gz MJVXBDGTFXMDOH-UHFFFAOYSA-N 0 0 392.253 3.077 20 30 GGEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000129745924 564659243 /nfs/dbraw/zinc/65/92/43/564659243.db2.gz WEEJUHQOMPSLEG-UHFFFAOYSA-N 0 0 376.865 3.347 20 30 GGEDRN COc1cc(Br)c(NS(=O)(=O)c2ccc(C#N)cc2)cc1OC ZINC000057121646 564660657 /nfs/dbraw/zinc/66/06/57/564660657.db2.gz QOMRTOSPXTYSTN-UHFFFAOYSA-N 0 0 397.250 3.139 20 30 GGEDRN COc1cc(Br)c(NS(=O)(=O)c2ccccc2C#N)cc1OC ZINC000057121652 564661032 /nfs/dbraw/zinc/66/10/32/564661032.db2.gz NKTWDLCBXJAGNB-UHFFFAOYSA-N 0 0 397.250 3.139 20 30 GGEDRN COc1cc(Br)c(NS(=O)(=O)c2cccc(C#N)c2)cc1OC ZINC000057121649 564661056 /nfs/dbraw/zinc/66/10/56/564661056.db2.gz KYEGAKBUCWECNF-UHFFFAOYSA-N 0 0 397.250 3.139 20 30 GGEDRN N#Cc1ccc(NCC(=O)Nc2n[nH]c(-c3ccc(Br)cc3)n2)cc1 ZINC000129939737 564665884 /nfs/dbraw/zinc/66/58/84/564665884.db2.gz JKTMIUZOXQQUQK-UHFFFAOYSA-N 0 0 397.236 3.156 20 30 GGEDRN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N=C1NCC(=O)N1 ZINC000057432911 564667855 /nfs/dbraw/zinc/66/78/55/564667855.db2.gz KPSYAHLJRZNBLK-VIFPVBQESA-N 0 0 378.841 3.059 20 30 GGEDRN Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C/c1ccc(F)cc1Cl ZINC000130123961 564670415 /nfs/dbraw/zinc/67/04/15/564670415.db2.gz HDMSWQABMQXQOP-FNORWQNLSA-N 0 0 384.860 3.233 20 30 GGEDRN 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ZINC000066393490 564764889 /nfs/dbraw/zinc/76/48/89/564764889.db2.gz SIERYWXHHNWJBI-ZDUSSCGKSA-N 0 0 376.199 3.319 20 30 GGEDRN N#C[C@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1cccc(Cl)c1Cl ZINC000066392988 564764899 /nfs/dbraw/zinc/76/48/99/564764899.db2.gz AIQCZDPPYNVOHI-WFASDCNBSA-N 0 0 380.275 3.323 20 30 GGEDRN N#C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1cccc(Cl)c1Cl ZINC000066393049 564765010 /nfs/dbraw/zinc/76/50/10/564765010.db2.gz ZSNUYKHYKKXBCY-ZDUSSCGKSA-N 0 0 376.199 3.319 20 30 GGEDRN N#C[C@@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1cccc(Cl)c1Cl ZINC000066394654 564765058 /nfs/dbraw/zinc/76/50/58/564765058.db2.gz KNJGSFRCZVOKNK-GZMMTYOYSA-N 0 0 394.180 3.085 20 30 GGEDRN CCCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000066394592 564765097 /nfs/dbraw/zinc/76/50/97/564765097.db2.gz RFZZCMJTFYHZKO-CHWSQXEVSA-N 0 0 386.304 3.376 20 30 GGEDRN N#C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1cccc(Cl)c1Cl ZINC000066392982 564765106 /nfs/dbraw/zinc/76/51/06/564765106.db2.gz AIQCZDPPYNVOHI-IUODEOHRSA-N 0 0 380.275 3.323 20 30 GGEDRN CCN(C[C@H](C)C#N)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000066424108 564765371 /nfs/dbraw/zinc/76/53/71/564765371.db2.gz LVYXNNFOUSDENA-YPMHNXCESA-N 0 0 375.694 3.324 20 30 GGEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000133220078 564766284 /nfs/dbraw/zinc/76/62/84/564766284.db2.gz SRWVHZCOXGOLHP-UHFFFAOYSA-N 0 0 384.249 3.315 20 30 GGEDRN N#Cc1ccsc1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000133220367 564766563 /nfs/dbraw/zinc/76/65/63/564766563.db2.gz FJVRWUSJCNZSND-UHFFFAOYSA-N 0 0 399.169 3.385 20 30 GGEDRN C[C@@H](C(=O)Nc1ccc(Br)cc1Br)N(C)CCC#N ZINC000133230692 564766720 /nfs/dbraw/zinc/76/67/20/564766720.db2.gz JFIVJMACKCWOBD-VIFPVBQESA-N 0 0 389.091 3.384 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)c3cnc(Cl)c(Cl)c3)CC2)nc1 ZINC000066526715 564768313 /nfs/dbraw/zinc/76/83/13/564768313.db2.gz WCTOAUAZWXRMSC-UHFFFAOYSA-N 0 0 376.247 3.054 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)c3ccc(Cl)nc3Cl)CC2)nc1 ZINC000066526087 564768527 /nfs/dbraw/zinc/76/85/27/564768527.db2.gz NSGHFCRFARDBNZ-UHFFFAOYSA-N 0 0 376.247 3.054 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)c3ccc(Br)s3)CC2)nc1 ZINC000066527100 564768613 /nfs/dbraw/zinc/76/86/13/564768613.db2.gz HOUXWKMXKQEYCW-UHFFFAOYSA-N 0 0 391.294 3.176 20 30 GGEDRN C=CCN(CCCOc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559389 564769033 /nfs/dbraw/zinc/76/90/33/564769033.db2.gz BFDWBOXYKPAPGO-OAHLLOKOSA-N 0 0 377.428 3.149 20 30 GGEDRN COc1ccc(Br)c(NC(=O)C(=O)N(CCC#N)CCC(C)C)c1 ZINC000133318629 564770531 /nfs/dbraw/zinc/77/05/31/564770531.db2.gz HMSSEDBPLHOIAE-UHFFFAOYSA-N 0 0 396.285 3.185 20 30 GGEDRN CN(Cc1ccccc1Br)C(=O)COc1ccc(C#N)c(F)c1 ZINC000066750420 564773784 /nfs/dbraw/zinc/77/37/84/564773784.db2.gz ZCFDPPIONYJRAB-UHFFFAOYSA-N 0 0 377.213 3.497 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccs2)c1 ZINC000066727210 564774078 /nfs/dbraw/zinc/77/40/78/564774078.db2.gz VGDQSHKZZLNADX-ZDUSSCGKSA-N 0 0 380.491 3.009 20 30 GGEDRN COc1cc(C#N)ccc1NC(=O)c1ccccc1I ZINC000133481074 564774741 /nfs/dbraw/zinc/77/47/41/564774741.db2.gz WZOVWHJTPBBESR-UHFFFAOYSA-N 0 0 378.169 3.424 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CSC)cc2)cc1 ZINC000066778860 564775579 /nfs/dbraw/zinc/77/55/79/564775579.db2.gz MLEZSCDYYMQDKH-UHFFFAOYSA-N 0 0 376.503 3.266 20 30 GGEDRN N#Cc1ccsc1NC(=O)CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000066845127 564776172 /nfs/dbraw/zinc/77/61/72/564776172.db2.gz KPNXNGLMLWQKSZ-HNNXBMFYSA-N 0 0 379.844 3.424 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000066856450 564776394 /nfs/dbraw/zinc/77/63/94/564776394.db2.gz WYAZAFXXXHVXAD-SNVBAGLBSA-N 0 0 381.504 3.042 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000066856449 564776583 /nfs/dbraw/zinc/77/65/83/564776583.db2.gz WYAZAFXXXHVXAD-JTQLQIEISA-N 0 0 381.504 3.042 20 30 GGEDRN N#Cc1ccc(OCC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000133603692 564779377 /nfs/dbraw/zinc/77/93/77/564779377.db2.gz JYELNMABKDLFSE-UHFFFAOYSA-N 0 0 379.243 3.265 20 30 GGEDRN N#Cc1ccsc1NC(=O)COc1ccc([N+](=O)[O-])cc1Br ZINC000133675169 564782207 /nfs/dbraw/zinc/78/22/07/564782207.db2.gz JIGGTDLNWFYNCT-UHFFFAOYSA-N 0 0 382.195 3.308 20 30 GGEDRN N#CCc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000133686009 564782319 /nfs/dbraw/zinc/78/23/19/564782319.db2.gz WICOKVPVKQWZIL-UHFFFAOYSA-N 0 0 390.193 3.441 20 30 GGEDRN N#Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000133690330 564782610 /nfs/dbraw/zinc/78/26/10/564782610.db2.gz IEJFNXKFFFUWAQ-UHFFFAOYSA-N 0 0 376.166 3.246 20 30 GGEDRN C=CCn1c(SCC2(CS(C)(=O)=O)CCC2)nnc1-c1ccccc1 ZINC000133792288 564785016 /nfs/dbraw/zinc/78/50/16/564785016.db2.gz SSNXBOMKPUZWGL-UHFFFAOYSA-N 0 0 377.535 3.438 20 30 GGEDRN Cc1cc(N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)nc(C)n1 ZINC000133882116 564788114 /nfs/dbraw/zinc/78/81/14/564788114.db2.gz TUMVFKLPVALBIC-KRWDZBQOSA-N 0 0 386.297 3.243 20 30 GGEDRN CC(C)NS(=O)(=O)Cc1ccccc1CNc1ccc(Cl)c(C#N)n1 ZINC000067348388 564789405 /nfs/dbraw/zinc/78/94/05/564789405.db2.gz RHQDQKDYBLAKRN-UHFFFAOYSA-N 0 0 378.885 3.047 20 30 GGEDRN N#Cc1nc(NCCNC(=O)c2ccc(Br)cc2)ccc1Cl ZINC000067369091 564790464 /nfs/dbraw/zinc/79/04/64/564790464.db2.gz GAWITBCIYJTCER-UHFFFAOYSA-N 0 0 379.645 3.211 20 30 GGEDRN CC(C)N(C)S(=O)(=O)c1ccc(CNc2ccc(Cl)c(C#N)n2)cc1 ZINC000067369588 564790616 /nfs/dbraw/zinc/79/06/16/564790616.db2.gz MEZBHTRRTNBNHX-UHFFFAOYSA-N 0 0 378.885 3.248 20 30 GGEDRN C[C@@H]1CCC[C@@](C#N)(NC(=O)Cc2ccccc2I)C1 ZINC000134065104 564792350 /nfs/dbraw/zinc/79/23/50/564792350.db2.gz YDWXRZFGGDKIHV-MLGOLLRUSA-N 0 0 382.245 3.422 20 30 GGEDRN C=CCSc1ccccc1NC(=O)Cn1cc(I)cn1 ZINC000134044336 564792431 /nfs/dbraw/zinc/79/24/31/564792431.db2.gz LLWHMOKSKWRNNQ-UHFFFAOYSA-N 0 0 399.257 3.405 20 30 GGEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1 ZINC000134144301 564795493 /nfs/dbraw/zinc/79/54/93/564795493.db2.gz CFAXDPPXZPTWEI-UHFFFAOYSA-N 0 0 378.837 3.375 20 30 GGEDRN COc1cc([C@H](C#N)NC(=O)c2ccc(Br)o2)cc(OC)c1OC ZINC000067701361 564797267 /nfs/dbraw/zinc/79/72/67/564797267.db2.gz RGGOUANGESFVHU-JTQLQIEISA-N 0 0 395.209 3.063 20 30 GGEDRN N#C[C@H](NC(=O)c1cccc(OCC(F)F)n1)c1cccc(Br)c1 ZINC000134235028 564797262 /nfs/dbraw/zinc/79/72/62/564797262.db2.gz GXQOCANMLSNZDY-ZDUSSCGKSA-N 0 0 396.191 3.483 20 30 GGEDRN CC(C)(C#N)c1ccccc1Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000134227888 564797271 /nfs/dbraw/zinc/79/72/71/564797271.db2.gz MOZQEGIMVPBAFT-UHFFFAOYSA-N 0 0 376.210 3.368 20 30 GGEDRN N#C[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1cccc(Br)c1 ZINC000134235289 564797467 /nfs/dbraw/zinc/79/74/67/564797467.db2.gz PGPGXKFLGPLUQT-INIZCTEOSA-N 0 0 382.221 3.024 20 30 GGEDRN CN(Cc1ccccc1Br)C(=O)COc1ccc(C#N)cc1F ZINC000134297127 564799241 /nfs/dbraw/zinc/79/92/41/564799241.db2.gz BNKNBEUHFJHZKK-UHFFFAOYSA-N 0 0 377.213 3.497 20 30 GGEDRN N#Cc1ccc(OCC(=O)Nc2cccc(I)c2)c(F)c1 ZINC000134296935 564799408 /nfs/dbraw/zinc/79/94/08/564799408.db2.gz HPOOHDPREHCJQD-UHFFFAOYSA-N 0 0 396.159 3.319 20 30 GGEDRN Cc1nc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)ccc1C#N ZINC000067826655 564799587 /nfs/dbraw/zinc/79/95/87/564799587.db2.gz PEHNXEXDXDVSKL-QGZVFWFLSA-N 0 0 386.249 3.238 20 30 GGEDRN CN(C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)c1cccc(C#N)c1 ZINC000067935697 564802785 /nfs/dbraw/zinc/80/27/85/564802785.db2.gz HBOBMQUOJWKMJZ-QGZVFWFLSA-N 0 0 398.260 3.337 20 30 GGEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(Br)c[nH]c1=O ZINC000067941585 564803044 /nfs/dbraw/zinc/80/30/44/564803044.db2.gz SPXGBFHBTRHPCO-HNNXBMFYSA-N 0 0 390.237 3.051 20 30 GGEDRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)CSCC#N)c1C ZINC000134437800 564803758 /nfs/dbraw/zinc/80/37/58/564803758.db2.gz KLBOTBYWXDULGN-UHFFFAOYSA-N 0 0 379.283 3.447 20 30 GGEDRN N#Cc1ccc(CNS(=O)(=O)c2cc(Br)ccc2Cl)cc1 ZINC000067947336 564804182 /nfs/dbraw/zinc/80/41/82/564804182.db2.gz FLAQRUSSJCZIOS-UHFFFAOYSA-N 0 0 385.670 3.453 20 30 GGEDRN CCc1c(C)sc(NC(=O)CSc2nnnn2C2CCCC2)c1C#N ZINC000068101928 564808307 /nfs/dbraw/zinc/80/83/07/564808307.db2.gz VBPHRFKRLDESTJ-UHFFFAOYSA-N 0 0 376.511 3.323 20 30 GGEDRN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)c1cccc(C#N)c1 ZINC000068214935 564812112 /nfs/dbraw/zinc/81/21/12/564812112.db2.gz ZIVRYRCPQYAPQK-SNVBAGLBSA-N 0 0 392.278 3.164 20 30 GGEDRN COc1ccc(CCC(=O)Nc2cc(C)nn2CCC#N)cc1Br ZINC000068219540 564812213 /nfs/dbraw/zinc/81/22/13/564812213.db2.gz FNRZMCKCKMZIAJ-UHFFFAOYSA-N 0 0 391.269 3.448 20 30 GGEDRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)[C@H]3CCS(=O)(=O)C3)sc2C1 ZINC000068255892 564812777 /nfs/dbraw/zinc/81/27/77/564812777.db2.gz DQUNAVVIAISRTP-RYUDHWBXSA-N 0 0 380.535 3.144 20 30 GGEDRN CC#CCN1C(=O)[C@H](CC(=O)NC)S/C1=N/c1ccc(Cl)c(Cl)c1 ZINC000134736575 564813447 /nfs/dbraw/zinc/81/34/47/564813447.db2.gz SXOKTNSYLRUPJG-GJEKEPIOSA-N 0 0 384.288 3.084 20 30 GGEDRN N#C[C@H](NC(=O)c1cc(-n2cccn2)ccn1)c1cccc(Br)c1 ZINC000134738888 564813559 /nfs/dbraw/zinc/81/35/59/564813559.db2.gz OGHQOYOQFQCWBR-INIZCTEOSA-N 0 0 382.221 3.024 20 30 GGEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CCc2ccc(Br)cc2F)CC1 ZINC000068328220 564814648 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Cc1sc(NC(=O)Cn2c(C)c(Br)cc(C#N)c2=O)c(C)c1C ZINC000185940171 565229639 /nfs/dbraw/zinc/22/96/39/565229639.db2.gz OKPCMMHSPFGCOX-UHFFFAOYSA-N 0 0 394.294 3.416 20 30 GGEDRN CCc1ccc(-c2noc(Cn3c(C)c(Br)cc(C#N)c3=O)n2)cc1 ZINC000185943693 565229753 /nfs/dbraw/zinc/22/97/53/565229753.db2.gz DCKOIBOUPGBLQJ-UHFFFAOYSA-N 0 0 399.248 3.452 20 30 GGEDRN CCS[C@@H](C)c1noc(Cn2c(C)c(Br)cc(C#N)c2=O)n1 ZINC000185942703 565229850 /nfs/dbraw/zinc/22/98/50/565229850.db2.gz UVDDZYNWUHVEHA-VIFPVBQESA-N 0 0 383.271 3.036 20 30 GGEDRN CCc1cccc(C)c1NC(=O)Cn1c(C)c(Br)cc(C#N)c1=O ZINC000185931025 565229927 /nfs/dbraw/zinc/22/99/27/565229927.db2.gz BGTHNXPWCJQWPP-UHFFFAOYSA-N 0 0 388.265 3.300 20 30 GGEDRN Cc1c(Br)cc(C#N)c(=O)n1CC(=O)Nc1cc(Cl)ccc1F ZINC000185933639 565229973 /nfs/dbraw/zinc/22/99/73/565229973.db2.gz ZFRVBOZFCZSSIN-UHFFFAOYSA-N 0 0 398.619 3.222 20 30 GGEDRN CCOc1ccc(C(C)=O)cc1Cn1c(C)c(Br)cc(C#N)c1=O ZINC000185933718 565230149 /nfs/dbraw/zinc/23/01/49/565230149.db2.gz OQOALNGTRCUVGR-UHFFFAOYSA-N 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CCN(CCC#N)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000163297753 565342471 /nfs/dbraw/zinc/34/24/71/565342471.db2.gz PXHJBULYOGMYIW-UHFFFAOYSA-N 0 0 385.205 3.392 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000163287379 565343010 /nfs/dbraw/zinc/34/30/10/565343010.db2.gz NWODANAFTVNALE-WMLDXEAASA-N 0 0 376.865 3.410 20 30 GGEDRN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Sc2ccc(C#N)cc2Cl)C1 ZINC000163332462 565343605 /nfs/dbraw/zinc/34/36/05/565343605.db2.gz VHPROJDOKITJFQ-TZMCWYRMSA-N 0 0 380.897 3.494 20 30 GGEDRN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Sc2ccc(C#N)cc2Cl)C1 ZINC000163332586 565343866 /nfs/dbraw/zinc/34/38/66/565343866.db2.gz VHPROJDOKITJFQ-OCCSQVGLSA-N 0 0 380.897 3.494 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1Cl ZINC000163361160 565343881 /nfs/dbraw/zinc/34/38/81/565343881.db2.gz SEEKVBXETHTLGA-CRAIPNDOSA-N 0 0 376.865 3.410 20 30 GGEDRN CC(C)n1cnnc1CN(C)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000296908011 565344612 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C#C[C@@H](C)N1C(=O)[C@@H](CC(=O)NC)S/C1=N\c1ccc(Cl)cc1Cl ZINC000187706325 565349938 /nfs/dbraw/zinc/34/99/38/565349938.db2.gz JEHFZEPILIHSGI-YIXJITHASA-N 0 0 384.288 3.083 20 30 GGEDRN N#Cc1cc(Br)cnc1NCCCC(=O)N1Cc2ccccc2C1 ZINC000297006781 565351014 /nfs/dbraw/zinc/35/10/14/565351014.db2.gz GFTDXNUVCDOWDG-UHFFFAOYSA-N 0 0 385.265 3.450 20 30 GGEDRN C=CCCC[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000187738351 565351478 /nfs/dbraw/zinc/35/14/78/565351478.db2.gz BFCYZWXNUBLLMW-NSHDSACASA-N 0 0 389.315 3.431 20 30 GGEDRN C=CCn1c(=O)[nH]nc1SCc1ncc(-c2cccc(Br)c2)o1 ZINC000163719399 565351362 /nfs/dbraw/zinc/35/13/62/565351362.db2.gz XYHPUNRDARRHRV-UHFFFAOYSA-N 0 0 393.266 3.467 20 30 GGEDRN Cc1csc([C@@H]2CCCN(S(=O)(=O)Cc3cc(C#N)ccc3F)C2)n1 ZINC000163893525 565352072 /nfs/dbraw/zinc/35/20/72/565352072.db2.gz AOWGADKRIRSBSS-CQSZACIVSA-N 0 0 379.482 3.172 20 30 GGEDRN Cc1csc([C@H]2CCCN(S(=O)(=O)Cc3cc(C#N)ccc3F)C2)n1 ZINC000163893652 565352684 /nfs/dbraw/zinc/35/26/84/565352684.db2.gz AOWGADKRIRSBSS-AWEZNQCLSA-N 0 0 379.482 3.172 20 30 GGEDRN CC[C@@H](CC#N)NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000187767668 565353902 /nfs/dbraw/zinc/35/39/02/565353902.db2.gz QXCOAZCJZLEJHK-LSDHHAIUSA-N 0 0 386.901 3.258 20 30 GGEDRN COc1ccc(Br)c([C@H](CO)N(C)C(=O)c2cc(C#N)cs2)c1 ZINC000297059166 565353911 /nfs/dbraw/zinc/35/39/11/565353911.db2.gz WAPDKBOKOVYURJ-AWEZNQCLSA-N 0 0 395.278 3.196 20 30 GGEDRN N#Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)cc1O ZINC000187785836 565354956 /nfs/dbraw/zinc/35/49/56/565354956.db2.gz TUQLEPJVQBMQHK-QGZVFWFLSA-N 0 0 387.233 3.240 20 30 GGEDRN N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000164182203 565355962 /nfs/dbraw/zinc/35/59/62/565355962.db2.gz CKBLUCDOMVDLMD-UHFFFAOYSA-N 0 0 394.200 3.062 20 30 GGEDRN N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000164208359 565357340 /nfs/dbraw/zinc/35/73/40/565357340.db2.gz OQAXQAYAFNEDCJ-UHFFFAOYSA-N 0 0 394.200 3.062 20 30 GGEDRN N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000164260330 565357370 /nfs/dbraw/zinc/35/73/70/565357370.db2.gz CKKXXDVCNDBPIW-UHFFFAOYSA-N 0 0 394.200 3.062 20 30 GGEDRN Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C/c1ccc(Cl)cc1F ZINC000187840389 565358386 /nfs/dbraw/zinc/35/83/86/565358386.db2.gz GTHDUAONBANVGB-FNORWQNLSA-N 0 0 384.860 3.233 20 30 GGEDRN N#Cc1ccsc1NC(=O)CN1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187855721 565360554 /nfs/dbraw/zinc/36/05/54/565360554.db2.gz GYDOPGYCNMCBTR-HNNXBMFYSA-N 0 0 379.844 3.424 20 30 GGEDRN C[C@H](CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)c1nccs1 ZINC000297187539 565361221 /nfs/dbraw/zinc/36/12/21/565361221.db2.gz AMQSWSBWCOUPSE-SNVBAGLBSA-N 0 0 376.507 3.232 20 30 GGEDRN N#CC1(CS(=O)(=O)NCC2(c3ccc(Br)cc3)CCC2)CC1 ZINC000164800192 565362914 /nfs/dbraw/zinc/36/29/14/565362914.db2.gz DLMJPHOERVLUAM-UHFFFAOYSA-N 0 0 383.311 3.094 20 30 GGEDRN Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)sc1Cl ZINC000187946758 565365543 /nfs/dbraw/zinc/36/55/43/565365543.db2.gz MUQGYTROJWLUJI-OAHLLOKOSA-N 0 0 395.937 3.109 20 30 GGEDRN COCCN(CCC#N)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000165041810 565366536 /nfs/dbraw/zinc/36/65/36/565366536.db2.gz ICIKTEXGTMGLDH-UHFFFAOYSA-N 0 0 392.257 3.029 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000187960107 565366944 /nfs/dbraw/zinc/36/69/44/565366944.db2.gz NGUSGNYGEZUYNO-GOSISDBHSA-N 0 0 397.313 3.383 20 30 GGEDRN N#Cc1cc(Br)cnc1NCc1ccnc(OC2CCOCC2)c1 ZINC000297314079 565367790 /nfs/dbraw/zinc/36/77/90/565367790.db2.gz ZHCWMQXJHHINFB-UHFFFAOYSA-N 0 0 389.253 3.281 20 30 GGEDRN CC(C)(C)[C@@](C)(C#N)NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000274351746 565367745 /nfs/dbraw/zinc/36/77/45/565367745.db2.gz REOLRYZZWMCMCU-QGZVFWFLSA-N 0 0 376.507 3.444 20 30 GGEDRN CC(C)Oc1ccc(CNS(=O)(=O)CC2(C#N)CC2)c(C(F)(F)F)c1 ZINC000165127965 565368172 /nfs/dbraw/zinc/36/81/72/565368172.db2.gz MEQLOLYLPKUMAO-UHFFFAOYSA-N 0 0 376.400 3.216 20 30 GGEDRN CC(=O)N(c1nc(CN2CCO[C@@H](C#N)C2)cs1)c1cccc(Cl)c1 ZINC000165692454 565370950 /nfs/dbraw/zinc/37/09/50/565370950.db2.gz DNHLSKOXVYUDOY-INIZCTEOSA-N 0 0 376.869 3.205 20 30 GGEDRN COC[C@H]1CCCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000375136676 565371426 /nfs/dbraw/zinc/37/14/26/565371426.db2.gz PXEQGGRTFKQYDF-LBPRGKRZSA-N 0 0 376.400 3.014 20 30 GGEDRN N#Cc1cc(NCCNC(=O)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000165909195 565371927 /nfs/dbraw/zinc/37/19/27/565371927.db2.gz LFOKKYBNCUYRRT-UHFFFAOYSA-N 0 0 389.209 3.071 20 30 GGEDRN N#Cc1cc(N2CCN(c3ncc(Cl)cc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000165815106 565372045 /nfs/dbraw/zinc/37/20/45/565372045.db2.gz QNRSJTVFIUHPLL-UHFFFAOYSA-N 0 0 378.219 3.495 20 30 GGEDRN CC(C)(C)c1nc(CCNS(=O)(=O)Cc2cc(C#N)ccc2F)cs1 ZINC000165802898 565372107 /nfs/dbraw/zinc/37/21/07/565372107.db2.gz BQKATMUHWIIWMO-UHFFFAOYSA-N 0 0 381.498 3.113 20 30 GGEDRN C=CCCc1noc(CCNS(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000297468789 565373253 /nfs/dbraw/zinc/37/32/53/565373253.db2.gz YKNFQOOVARPTOL-UHFFFAOYSA-N 0 0 376.265 3.016 20 30 GGEDRN COC(=O)c1cc(S(=O)(=O)N(C)C2(C#N)CCCC2)c(Cl)cc1Cl ZINC000274535279 565373625 /nfs/dbraw/zinc/37/36/25/565373625.db2.gz RVALBZAKBSAQBY-UHFFFAOYSA-N 0 0 391.276 3.237 20 30 GGEDRN N#CC1(CS(=O)(=O)NCCSCc2ccc(Cl)cc2Cl)CC1 ZINC000166279230 565374972 /nfs/dbraw/zinc/37/49/72/565374972.db2.gz NRGIFAFMJKUHFR-UHFFFAOYSA-N 0 0 379.334 3.450 20 30 GGEDRN N#Cc1cc(NC[C@@H](O)COc2ccccc2Br)ccc1[N+](=O)[O-] ZINC000167167431 565377439 /nfs/dbraw/zinc/37/74/39/565377439.db2.gz KEQYLJADQREETB-CYBMUJFWSA-N 0 0 392.209 3.081 20 30 GGEDRN N#Cc1cccc(N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)n1 ZINC000167476817 565378135 /nfs/dbraw/zinc/37/81/35/565378135.db2.gz SWEPPJVXDBCIKV-KRWDZBQOSA-N 0 0 382.265 3.103 20 30 GGEDRN C[C@@H](C#N)N(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000297601053 565379172 /nfs/dbraw/zinc/37/91/72/565379172.db2.gz APEBMUAGEQWATH-KWJWQAOWSA-N 0 0 379.532 3.100 20 30 GGEDRN C[C@H](C#N)N(C)C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000297621815 565380140 /nfs/dbraw/zinc/38/01/40/565380140.db2.gz CAPLDDDUIMWKJM-GFCCVEGCSA-N 0 0 387.281 3.498 20 30 GGEDRN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc(C(C)(C)C)cc2C#N)o1 ZINC000297627350 565380224 /nfs/dbraw/zinc/38/02/24/565380224.db2.gz BUZPQWJDZBDAHG-UHFFFAOYSA-N 0 0 381.479 3.013 20 30 GGEDRN N#Cc1cc(Br)cnc1N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000297639698 565381240 /nfs/dbraw/zinc/38/12/40/565381240.db2.gz XUAJAHGIYGFQEG-UONOGXRCSA-N 0 0 394.294 3.106 20 30 GGEDRN CCCN(CC#N)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000188129674 565381398 /nfs/dbraw/zinc/38/13/98/565381398.db2.gz ZJLWBNMBBLANTI-OAHLLOKOSA-N 0 0 386.901 3.212 20 30 GGEDRN C[C@@H](NCc1ccc(Cl)cc1C#N)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000274798761 565381512 /nfs/dbraw/zinc/38/15/12/565381512.db2.gz DVCAZPQSHBPHLY-CYBMUJFWSA-N 0 0 377.897 3.313 20 30 GGEDRN N#C[C@H]1CSCCN1C(=O)c1cc(Br)ccc1Br ZINC000274811978 565382199 /nfs/dbraw/zinc/38/21/99/565382199.db2.gz OVAMJXNIFKQYDH-VIFPVBQESA-N 0 0 390.100 3.293 20 30 GGEDRN C[C@H](NCc1ccc(Cl)cc1C#N)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000274798762 565382234 /nfs/dbraw/zinc/38/22/34/565382234.db2.gz DVCAZPQSHBPHLY-ZDUSSCGKSA-N 0 0 377.897 3.313 20 30 GGEDRN CSC[C@@](C)(C#N)NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000297710258 565383459 /nfs/dbraw/zinc/38/34/59/565383459.db2.gz IXQBUSSWACLNHV-OAHLLOKOSA-N 0 0 379.283 3.010 20 30 GGEDRN C[C@H]1CCc2sc(NC(=O)CC3(CS(C)(=O)=O)CC3)c(C#N)c2[C@H]1C ZINC000297698642 565383466 /nfs/dbraw/zinc/38/34/66/565383466.db2.gz FSHGYRKAJJPQDQ-RYUDHWBXSA-N 0 0 380.535 3.459 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]2CC(=O)c2ccco2)c1 ZINC000274830289 565383573 /nfs/dbraw/zinc/38/35/73/565383573.db2.gz YZDATGFPTWOVIG-ZDUSSCGKSA-N 0 0 378.837 3.231 20 30 GGEDRN CC(=O)Nc1ccc(Br)cc1NCC(=O)Nc1ccc(C#N)cc1 ZINC000170642551 565385017 /nfs/dbraw/zinc/38/50/17/565385017.db2.gz JPOCZDRAXHDIND-UHFFFAOYSA-N 0 0 387.237 3.330 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCc3sccc3[C@@H]2c2cccs2)cn1 ZINC000170657125 565386223 /nfs/dbraw/zinc/38/62/23/565386223.db2.gz BWCOIACNMGYSKL-QGZVFWFLSA-N 0 0 387.511 3.413 20 30 GGEDRN CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CCCCS3(=O)=O)sc2C1 ZINC000297822596 565387766 /nfs/dbraw/zinc/38/77/66/565387766.db2.gz PYUODQYEHGFMAX-WBMJQRKESA-N 0 0 380.535 3.286 20 30 GGEDRN C=CCn1c(SCCN2CCOC[C@H]2C)nc2sc(C)c(C)c2c1=O ZINC000188222009 565388561 /nfs/dbraw/zinc/38/85/61/565388561.db2.gz QOMQEWPQCZEIMV-GFCCVEGCSA-N 0 0 379.551 3.074 20 30 GGEDRN C=CCn1c(S[C@H](CC)C(N)=O)nnc1-c1ccc(Br)cc1 ZINC000170697304 565388606 /nfs/dbraw/zinc/38/86/06/565388606.db2.gz CSGMMNGOUOLUNM-GFCCVEGCSA-N 0 0 381.299 3.250 20 30 GGEDRN C[C@@H]1Cc2c(C#N)c(NC(=O)C[C@H]3CCCS(=O)(=O)C3)sc2[C@@H](C)C1 ZINC000297848139 565388940 /nfs/dbraw/zinc/38/89/40/565388940.db2.gz NPPUKDVSUNLCRG-RWMBFGLXSA-N 0 0 380.535 3.459 20 30 GGEDRN CC#CCNC(=O)N(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000188241755 565389024 /nfs/dbraw/zinc/38/90/24/565389024.db2.gz ICHOSHWBZBCBOB-HNNXBMFYSA-N 0 0 395.297 3.172 20 30 GGEDRN C[C@H]1Cc2c(C#N)c(NC(=O)CC3(CS(C)(=O)=O)CC3)sc2[C@@H](C)C1 ZINC000297876613 565390123 /nfs/dbraw/zinc/39/01/23/565390123.db2.gz PJLYWALRFDVIQP-NEPJUHHUSA-N 0 0 380.535 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CC(C)(C#N)CCCC[S@](=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000278071467 565537917 /nfs/dbraw/zinc/53/79/17/565537917.db2.gz ZSJIZMDEFVXYNN-DEOSSOPVSA-N 0 0 386.539 3.033 20 30 GGEDRN CC#CCNC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)c(Cl)c1 ZINC000190515591 565538012 /nfs/dbraw/zinc/53/80/12/565538012.db2.gz ICFSQKVGYDJRMJ-UHFFFAOYSA-N 0 0 379.894 3.334 20 30 GGEDRN CC#CCNC(=O)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000190515360 565538220 /nfs/dbraw/zinc/53/82/20/565538220.db2.gz LEBPFHZUSQMYGM-UHFFFAOYSA-N 0 0 378.215 3.259 20 30 GGEDRN Cc1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])nn1CCC#N ZINC000278081728 565538608 /nfs/dbraw/zinc/53/86/08/565538608.db2.gz PBORPCJQKIGXFA-UHFFFAOYSA-N 0 0 384.215 3.090 20 30 GGEDRN CC(C)(C)OC(=O)NC[C@@H]1CN(c2ccc(C#N)cc2Br)CCO1 ZINC000302348188 565539975 /nfs/dbraw/zinc/53/99/75/565539975.db2.gz CVTVVECQHFJHOE-CYBMUJFWSA-N 0 0 396.285 3.051 20 30 GGEDRN C#CCNC(=O)c1ccc(N2CCc3c(Br)cc(C)cc3C2)nc1 ZINC000302485939 565543611 /nfs/dbraw/zinc/54/36/11/565543611.db2.gz 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/nfs/dbraw/zinc/60/63/78/565606378.db2.gz IPUXKGRSLPUSEE-LLVKDONJSA-N 0 0 393.262 3.122 20 30 GGEDRN CC(C)c1ccc(OCc2nnc(SCCCSCC#N)n2N)cc1 ZINC000174009319 565606666 /nfs/dbraw/zinc/60/66/66/565606666.db2.gz OCPBDGAXAIWXJX-UHFFFAOYSA-N 0 0 377.539 3.433 20 30 GGEDRN N#CCSCCCSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 ZINC000174007167 565606845 /nfs/dbraw/zinc/60/68/45/565606845.db2.gz VHRJRMVIHGWXGK-CQSZACIVSA-N 0 0 375.519 3.314 20 30 GGEDRN C[C@@H](C(=O)Nc1ccccc1C#N)S(=O)(=O)c1ccc(Br)cc1 ZINC000321729802 565607060 /nfs/dbraw/zinc/60/70/60/565607060.db2.gz IPUXKGRSLPUSEE-NSHDSACASA-N 0 0 393.262 3.122 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NC2CCC(F)(F)CC2)cc1Br ZINC000408397034 565607203 /nfs/dbraw/zinc/60/72/03/565607203.db2.gz RZKGPJJJDWXPQC-UHFFFAOYSA-N 0 0 379.226 3.177 20 30 GGEDRN CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CCS1 ZINC000408397131 565607464 /nfs/dbraw/zinc/60/74/64/565607464.db2.gz SRRBEOVDGXDURP-CQSZACIVSA-N 0 0 389.340 3.083 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000174033020 565608167 /nfs/dbraw/zinc/60/81/67/565608167.db2.gz XNXAJJKVSFMUTJ-BETUJISGSA-N 0 0 393.281 3.213 20 30 GGEDRN CC[C@@H]1[C@@H](C)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000408459026 565610775 /nfs/dbraw/zinc/61/07/75/565610775.db2.gz HGWZTGKHGBBQFY-TVQRCGJNSA-N 0 0 375.263 3.269 20 30 GGEDRN N#Cc1cccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1Br ZINC000408460228 565610963 /nfs/dbraw/zinc/61/09/63/565610963.db2.gz MTDMFXJAWYJGHS-BMFZPTHFSA-N 0 0 377.282 3.476 20 30 GGEDRN N#Cc1cccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1Br ZINC000408460231 565611002 /nfs/dbraw/zinc/61/10/02/565611002.db2.gz MTDMFXJAWYJGHS-NUEKZKHPSA-N 0 0 377.282 3.476 20 30 GGEDRN CC(C)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000408459652 565611045 /nfs/dbraw/zinc/61/10/45/565611045.db2.gz YMQNHLSIOGQGHA-ZDUSSCGKSA-N 0 0 375.263 3.269 20 30 GGEDRN C=CCOc1ccccc1CN[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000174076876 565611249 /nfs/dbraw/zinc/61/12/49/565611249.db2.gz 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/nfs/dbraw/zinc/61/55/28/565615528.db2.gz UPFHYQZCQCUCTC-CYBMUJFWSA-N 0 0 377.535 3.279 20 30 GGEDRN N#Cc1ccc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1Br ZINC000323981005 565616688 /nfs/dbraw/zinc/61/66/88/565616688.db2.gz DWMVYKQXJMUEEZ-UHFFFAOYSA-N 0 0 396.222 3.171 20 30 GGEDRN CC(C)(C)c1noc(CS(=O)(=O)Cc2cc(C#N)ccc2Br)n1 ZINC000191618000 565617277 /nfs/dbraw/zinc/61/72/77/565617277.db2.gz LIZJCHZWNDNWTO-UHFFFAOYSA-N 0 0 398.282 3.116 20 30 GGEDRN COC1(CNc2nnc(SCc3ccc(C#N)cc3)s2)CCOCC1 ZINC000279524006 565618017 /nfs/dbraw/zinc/61/80/17/565618017.db2.gz KLZNLJMROCQXKU-UHFFFAOYSA-N 0 0 376.507 3.310 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000409481842 565618632 /nfs/dbraw/zinc/61/86/32/565618632.db2.gz BZYYVUOOXKYZPX-UHFFFAOYSA-N 0 0 387.958 3.377 20 30 GGEDRN N#CCCN(Cc1ccc(Br)cc1N1CCOCC1)CC1CC1 ZINC000191650296 565619109 /nfs/dbraw/zinc/61/91/09/565619109.db2.gz GBCBSFLOEBSUSR-UHFFFAOYSA-N 0 0 378.314 3.411 20 30 GGEDRN N#CCCN(C(=O)c1ccc(Br)cn1)c1ccc2c(c1)OCCO2 ZINC000324751298 565619377 /nfs/dbraw/zinc/61/93/77/565619377.db2.gz SPFRAZCJGUGLLX-UHFFFAOYSA-N 0 0 388.221 3.176 20 30 GGEDRN C[C@H]1C[C@@H](CCNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCO1 ZINC000409495301 565619492 /nfs/dbraw/zinc/61/94/92/565619492.db2.gz VSQUSUMPVJIJHU-RYUDHWBXSA-N 0 0 376.400 3.061 20 30 GGEDRN C[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)[C@H](C)c1ccccc1C(F)(F)F ZINC000409491957 565619573 /nfs/dbraw/zinc/61/95/73/565619573.db2.gz RWODAWRWGWIMPN-FRRDWIJNSA-N 0 0 377.432 3.123 20 30 GGEDRN CC(C)[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000409489127 565619575 /nfs/dbraw/zinc/61/95/75/565619575.db2.gz XWSNEWBYEGOSRP-IUODEOHRSA-N 0 0 377.432 3.328 20 30 GGEDRN N#Cc1ccc(Br)c(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000191676036 565620329 /nfs/dbraw/zinc/62/03/29/565620329.db2.gz HYTWKLYZHJWLBY-UHFFFAOYSA-N 0 0 386.161 3.025 20 30 GGEDRN C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000409499394 565620286 /nfs/dbraw/zinc/62/02/86/565620286.db2.gz HPHKMFZOELZGTC-IAQYHMDHSA-N 0 0 375.416 3.082 20 30 GGEDRN COC1(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCCCC1 ZINC000409498645 565620405 /nfs/dbraw/zinc/62/04/05/565620405.db2.gz GAIZJFVCCSLDLY-UHFFFAOYSA-N 0 0 376.400 3.205 20 30 GGEDRN N#Cc1ccc(Br)c(CN2C(=O)N[C@H](CCc3ccccc3)C2=O)c1 ZINC000191675764 565620816 /nfs/dbraw/zinc/62/08/16/565620816.db2.gz IEEBYGLQDQNJJE-QGZVFWFLSA-N 0 0 398.260 3.374 20 30 GGEDRN C[C@H](Oc1ccc(OCc2cc(C#N)ccc2Br)cc1)C(N)=O ZINC000191686357 565621446 /nfs/dbraw/zinc/62/14/46/565621446.db2.gz FHBLAPXFGUSCLU-NSHDSACASA-N 0 0 375.222 3.152 20 30 GGEDRN Cc1cnc([C@H](C)CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000409519738 565621413 /nfs/dbraw/zinc/62/14/13/565621413.db2.gz PUDMPVFXRNBSAU-SECBINFHSA-N 0 0 389.424 3.424 20 30 GGEDRN C[C@@H](C#N)CN(C)S(=O)(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000409512619 565621760 /nfs/dbraw/zinc/62/17/60/565621760.db2.gz URTVPOHCBKAZGM-LBPRGKRZSA-N 0 0 388.320 3.419 20 30 GGEDRN N#Cc1ccc(NCC(=O)N[C@H]2CCOc3ccccc32)c(Br)c1 ZINC000409523713 565622205 /nfs/dbraw/zinc/62/22/05/565622205.db2.gz VCMSVSWCHGBQSP-HNNXBMFYSA-N 0 0 386.249 3.373 20 30 GGEDRN COC(=O)[C@H](C)c1c(C)nn(Cc2cc(C#N)ccc2Br)c1C ZINC000191687982 565622176 /nfs/dbraw/zinc/62/21/76/565622176.db2.gz YTRMLNTYZAEJTB-SNVBAGLBSA-N 0 0 376.254 3.459 20 30 GGEDRN C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000409536862 565622605 /nfs/dbraw/zinc/62/26/05/565622605.db2.gz SPSRAHDZCJURRN-KDOFPFPSSA-N 0 0 377.897 3.355 20 30 GGEDRN C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000409536866 565622779 /nfs/dbraw/zinc/62/27/79/565622779.db2.gz SPSRAHDZCJURRN-RDTXWAMCSA-N 0 0 377.897 3.355 20 30 GGEDRN C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000409551651 565623470 /nfs/dbraw/zinc/62/34/70/565623470.db2.gz BWSQMGKUOHCPAI-RDTXWAMCSA-N 0 0 377.897 3.355 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000409556301 565623633 /nfs/dbraw/zinc/62/36/33/565623633.db2.gz XAVXJVGCLYXKRX-INIZCTEOSA-N 0 0 381.548 3.237 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000409555119 565623836 /nfs/dbraw/zinc/62/38/36/565623836.db2.gz HJNJCGLSPCZWCR-CQSZACIVSA-N 0 0 378.523 3.250 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000409558680 565624337 /nfs/dbraw/zinc/62/43/37/565624337.db2.gz QLFSNEWPFHHIGN-GOSISDBHSA-N 0 0 377.897 3.499 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000409567868 565624522 /nfs/dbraw/zinc/62/45/22/565624522.db2.gz UUYSWVHRGGJMAW-GFCCVEGCSA-N 0 0 394.324 3.078 20 30 GGEDRN C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000409560639 565624544 /nfs/dbraw/zinc/62/45/44/565624544.db2.gz GMSLEMNUNUKZGP-MLGOLLRUSA-N 0 0 383.926 3.417 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000409558018 565624898 /nfs/dbraw/zinc/62/48/98/565624898.db2.gz VNEZTWYTMMGDCO-CYBMUJFWSA-N 0 0 378.523 3.250 20 30 GGEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000409563879 565624987 /nfs/dbraw/zinc/62/49/87/565624987.db2.gz ZTAKAWHLCGLKML-NEPJUHHUSA-N 0 0 378.325 3.240 20 30 GGEDRN CC(=O)Nc1ccc(S(=O)(=O)Cc2cc(C#N)ccc2Br)cc1 ZINC000191722191 565625161 /nfs/dbraw/zinc/62/51/61/565625161.db2.gz OMELPXNPKHIUFX-UHFFFAOYSA-N 0 0 393.262 3.253 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000409578994 565625496 /nfs/dbraw/zinc/62/54/96/565625496.db2.gz ZHSJYXZBNPSDPE-UHFFFAOYSA-N 0 0 375.416 3.150 20 30 GGEDRN CCC(C)(C)NC(=O)[C@H](C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000191724570 565625577 /nfs/dbraw/zinc/62/55/77/565625577.db2.gz JELFLCMNYJUYFR-JTQLQIEISA-N 0 0 376.400 3.044 20 30 GGEDRN CCC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000191725670 565625686 /nfs/dbraw/zinc/62/56/86/565625686.db2.gz NUFSKRFBFJXTBA-QWRGUYRKSA-N 0 0 376.400 3.044 20 30 GGEDRN C[C@H](C#N)CN(C)S(=O)(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000409577639 565625848 /nfs/dbraw/zinc/62/58/48/565625848.db2.gz UGTCZFOLSSUPLX-LLVKDONJSA-N 0 0 376.309 3.294 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000409578317 565625921 /nfs/dbraw/zinc/62/59/21/565625921.db2.gz BASXETFOVDVMKS-UHFFFAOYSA-N 0 0 388.331 3.140 20 30 GGEDRN C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000409586281 565626032 /nfs/dbraw/zinc/62/60/32/565626032.db2.gz JKPRJWGPVPBARD-LRDDRELGSA-N 0 0 383.926 3.417 20 30 GGEDRN CC(C)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409597055 565626519 /nfs/dbraw/zinc/62/65/19/565626519.db2.gz RILQLUUASXXZSN-ZDUSSCGKSA-N 0 0 377.432 3.252 20 30 GGEDRN N#Cc1cc(S(=O)(=O)NCCCOC2CCCC2)ccc1C(F)(F)F ZINC000409594459 565626538 /nfs/dbraw/zinc/62/65/38/565626538.db2.gz MIPFCAKSVJRFRM-UHFFFAOYSA-N 0 0 376.400 3.205 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000409589943 565626618 /nfs/dbraw/zinc/62/66/18/565626618.db2.gz ZQUSBJBYMOBCTJ-QWHCGFSZSA-N 0 0 377.432 3.425 20 30 GGEDRN N#Cc1ccc(Br)c(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 ZINC000191732680 565626619 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C[C@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@@H]1CCCOC1 ZINC000329394733 565664233 /nfs/dbraw/zinc/66/42/33/565664233.db2.gz VIVIDSWMTXDKBV-QWHCGFSZSA-N 0 0 387.311 3.240 20 30 GGEDRN Cc1ccc(NC(=O)NC[C@@]2(C)CCCS2)cc1S(=O)(=O)NC1CC1 ZINC000329367426 565664428 /nfs/dbraw/zinc/66/44/28/565664428.db2.gz IVFLKUCYMKHBKY-QGZVFWFLSA-N 0 0 383.539 3.047 20 30 GGEDRN CCCC(=O)N1CCC[C@H](C(=O)Nc2cn(CC)cc(Br)c2=O)C1 ZINC000329355357 565664534 /nfs/dbraw/zinc/66/45/34/565664534.db2.gz GPBAZVWOTZYEAO-LBPRGKRZSA-N 0 0 398.301 3.257 20 30 GGEDRN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)NCCC1(O)CCOCC1 ZINC000329396903 565664577 /nfs/dbraw/zinc/66/45/77/565664577.db2.gz XPHBVYABMAHIHK-ZDUSSCGKSA-N 0 0 397.313 3.041 20 30 GGEDRN O=C(Nc1ccccc1Br)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329349971 565664657 /nfs/dbraw/zinc/66/46/57/565664657.db2.gz DYXLDYGQMRFEIC-CYBMUJFWSA-N 0 0 395.301 3.455 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)CCc2cc(Cl)ccc2Br)C1=O ZINC000410122116 565665226 /nfs/dbraw/zinc/66/52/26/565665226.db2.gz VLGWRLZZUUJJDA-HNNXBMFYSA-N 0 0 399.716 3.280 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)c2cc(Cl)cc(Br)c2F)C1=O ZINC000410113840 565665248 /nfs/dbraw/zinc/66/52/48/565665248.db2.gz WWTYUKQIMYGENS-LBPRGKRZSA-N 0 0 389.652 3.101 20 30 GGEDRN C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccccc1Sc1ccccc1 ZINC000410121311 565665276 /nfs/dbraw/zinc/66/52/76/565665276.db2.gz WRBWOSAXRANQMS-OAHLLOKOSA-N 0 0 375.519 3.264 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)Sc2ccc(Br)cc2)C1=O ZINC000410115872 565665309 /nfs/dbraw/zinc/66/53/09/565665309.db2.gz NUHFLBBYOAJCJP-SWLSCSKDSA-N 0 0 397.338 3.175 20 30 GGEDRN O=C(N=c1[nH]c2c(cccc2Br)s1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000329414282 565665326 /nfs/dbraw/zinc/66/53/26/565665326.db2.gz DZMKXTXIDRYJOP-ATZCPNFKSA-N 0 0 382.283 3.307 20 30 GGEDRN O=C(N=c1[nH]c2c(cccc2Br)s1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000329414283 565665634 /nfs/dbraw/zinc/66/56/34/565665634.db2.gz DZMKXTXIDRYJOP-IQJOONFLSA-N 0 0 382.283 3.307 20 30 GGEDRN 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ZINC000330148516 565694285 /nfs/dbraw/zinc/69/42/85/565694285.db2.gz USBHXKPQSSVDRI-JTQLQIEISA-N 0 0 377.436 3.172 20 30 GGEDRN C[C@H](C(=O)NCC1(c2ccc(Cl)cc2)CC1)S(=O)(=O)C1CCOCC1 ZINC000330156448 565694682 /nfs/dbraw/zinc/69/46/82/565694682.db2.gz PEJHACPYYYFLHB-CYBMUJFWSA-N 0 0 385.913 3.310 20 30 GGEDRN Cc1nc(C)c(NC(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)s1 ZINC000330138467 565695051 /nfs/dbraw/zinc/69/50/51/565695051.db2.gz IIIPZTBYBXMKPB-GFCCVEGCSA-N 0 0 385.898 3.419 20 30 GGEDRN O=C(NC[C@@H]1SCCc2ccccc21)N1CCO[C@@H](c2nccs2)C1 ZINC000330178289 565695487 /nfs/dbraw/zinc/69/54/87/565695487.db2.gz DOWDVTOMPOTCFR-CVEARBPZSA-N 0 0 375.519 3.461 20 30 GGEDRN O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CC2(C1)CCOCC2 ZINC000330177049 565695525 /nfs/dbraw/zinc/69/55/25/565695525.db2.gz KKGWLRWTJMJUAO-CQSZACIVSA-N 0 0 381.270 3.299 20 30 GGEDRN N#Cc1ccc(C(=O)Cn2c(=O)oc3cc(F)c(Br)cc32)cc1 ZINC000192500553 565695753 /nfs/dbraw/zinc/69/57/53/565695753.db2.gz SVQCFENNZCCTTJ-UHFFFAOYSA-N 0 0 375.153 3.251 20 30 GGEDRN Cc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCSC3)CC2)cc1Cl ZINC000330172192 565695880 /nfs/dbraw/zinc/69/58/80/565695880.db2.gz GEIDUCSEYWLIDL-AWEZNQCLSA-N 0 0 381.929 3.481 20 30 GGEDRN C[C@H]1CC[C@H](NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)CC1 ZINC000330181953 565696150 /nfs/dbraw/zinc/69/61/50/565696150.db2.gz OQWRUUQOSPODBI-XYPYZODXSA-N 0 0 377.436 3.172 20 30 GGEDRN Cc1cc(Br)ccc1CNC(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330166658 565696318 /nfs/dbraw/zinc/69/63/18/565696318.db2.gz YFOGHVPMNLOFFG-KBXCAEBGSA-N 0 0 397.313 3.441 20 30 GGEDRN Cc1ccc(S(=O)(=O)CCC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000330216746 565697119 /nfs/dbraw/zinc/69/71/19/565697119.db2.gz NIURBDFWKNYWFA-QAPCUYQASA-N 0 0 383.535 3.170 20 30 GGEDRN Cc1cc(Br)c2c(c1)CN(C([O-])=[NH+][C@@H]1CCn3ccnc3C1)CC2 ZINC000330197562 565697147 /nfs/dbraw/zinc/69/71/47/565697147.db2.gz RXHFNZMQYNOBDP-CQSZACIVSA-N 0 0 389.297 3.241 20 30 GGEDRN Cc1cc(C2CCN(C(=O)NC[C@@H]3COCCO3)CC2)ccc1Br ZINC000330191313 565697169 /nfs/dbraw/zinc/69/71/69/565697169.db2.gz WXROBECVDBPENT-MRXNPFEDSA-N 0 0 397.313 3.266 20 30 GGEDRN Cc1cc(Br)c2c(c1)CN(C([O-])=[NH+][C@H]1CCn3ccnc3C1)CC2 ZINC000330197561 565697583 /nfs/dbraw/zinc/69/75/83/565697583.db2.gz RXHFNZMQYNOBDP-AWEZNQCLSA-N 0 0 389.297 3.241 20 30 GGEDRN CSCC[C@](C)(C#N)NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000410851270 565697884 /nfs/dbraw/zinc/69/78/84/565697884.db2.gz GUBKVYWGIAAHOR-MRXNPFEDSA-N 0 0 398.319 3.398 20 30 GGEDRN COc1cc(OC)c(NC(=O)N2CCOCC3(CC3)C2)cc1Br ZINC000330244117 565697985 /nfs/dbraw/zinc/69/79/85/565697985.db2.gz KCKZJGWIDLBDRZ-UHFFFAOYSA-N 0 0 385.258 3.124 20 30 GGEDRN C[C@@]12CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C[C@@H]1C2(F)F ZINC000330217551 565698115 /nfs/dbraw/zinc/69/81/15/565698115.db2.gz NXZMPRRLDDMEIP-QWHCGFSZSA-N 0 0 380.338 3.243 20 30 GGEDRN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CC2(C1)CCOCC2 ZINC000330236464 565698126 /nfs/dbraw/zinc/69/81/26/565698126.db2.gz ZFSMWXHKVKEWTM-CYBMUJFWSA-N 0 0 385.233 3.048 20 30 GGEDRN C[C@@H]1CN(Cc2csc(NC(=O)N3CCS[C@H](C)CC3)n2)C[C@H](C)O1 ZINC000330218480 565698187 /nfs/dbraw/zinc/69/81/87/565698187.db2.gz OSFKKMDXTCKAAT-HZSPNIEDSA-N 0 0 384.571 3.125 20 30 GGEDRN O=C(N[C@H]1CCOC2(CCOCC2)C1)c1cc2c(c(Br)c1)OCO2 ZINC000330225278 565698503 /nfs/dbraw/zinc/69/85/03/565698503.db2.gz TUOMKCUIXAGCHX-LBPRGKRZSA-N 0 0 398.253 3.211 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C(C)C)C1CC1 ZINC000192561148 565699132 /nfs/dbraw/zinc/69/91/32/565699132.db2.gz APJNMLAGJUSMEN-UHFFFAOYSA-N 0 0 381.270 3.498 20 30 GGEDRN Cc1oc(C#N)cc1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000280826117 565699130 /nfs/dbraw/zinc/69/91/30/565699130.db2.gz VPHPLZJZKVHZDH-CYBMUJFWSA-N 0 0 388.265 3.479 20 30 GGEDRN O=C(NCc1csc(Br)c1)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000330272605 565699347 /nfs/dbraw/zinc/69/93/47/565699347.db2.gz XUSZTJGMDBGNKC-GFCCVEGCSA-N 0 0 389.315 3.242 20 30 GGEDRN CSC[C@@](C)(C#N)NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000410866149 565699437 /nfs/dbraw/zinc/69/94/37/565699437.db2.gz XUABKUOYXQDFCF-OAHLLOKOSA-N 0 0 384.292 3.008 20 30 GGEDRN Cc1nnsc1CNC(=O)N1Cc2cc(Br)ccc2C[C@@H]1C ZINC000330266454 565699775 /nfs/dbraw/zinc/69/97/75/565699775.db2.gz PYJUPGCCOMZFDQ-VIFPVBQESA-N 0 0 381.299 3.470 20 30 GGEDRN Cc1cc(COc2ccc(C(=O)N(C)[C@H](C)C#N)cc2Br)no1 ZINC000410889940 565700078 /nfs/dbraw/zinc/70/00/78/565700078.db2.gz OPZZRMILWJLBQA-SNVBAGLBSA-N 0 0 378.226 3.309 20 30 GGEDRN C[C@H](C#N)N(C)C(=O)c1ccc(Br)cc1I ZINC000410892169 565700291 /nfs/dbraw/zinc/70/02/91/565700291.db2.gz VLGADHVPPXYNJW-SSDOTTSWSA-N 0 0 393.022 3.038 20 30 GGEDRN Cc1cc([C@H]2CCCN2C(=O)C(=O)N(C)C[C@H](C)C#N)ccc1Br ZINC000410912446 565700354 /nfs/dbraw/zinc/70/03/54/565700354.db2.gz GRVJCDNRBLKASD-MLGOLLRUSA-N 0 0 392.297 3.039 20 30 GGEDRN C[C@@H](C#N)N(C)C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000410889275 565700377 /nfs/dbraw/zinc/70/03/77/565700377.db2.gz NCFABPJNKUDPNF-ZETCQYMHSA-N 0 0 382.123 3.294 20 30 GGEDRN Cc1ccc(-c2csc(NC(=O)CN3CC[S@](=O)C[C@@H](C)C3)n2)cc1 ZINC000330329333 565701463 /nfs/dbraw/zinc/70/14/63/565701463.db2.gz MLHNREUJSXPBHK-SXBQZSJRSA-N 0 0 377.535 3.407 20 30 GGEDRN C=CCCN(C)C(=O)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000410916005 565701579 /nfs/dbraw/zinc/70/15/79/565701579.db2.gz PAFPDRWGJPJORR-HNNXBMFYSA-N 0 0 383.261 3.286 20 30 GGEDRN Cc1ccc(-c2csc(NC(=O)CN3CC[S@@](=O)C[C@@H](C)C3)n2)cc1 ZINC000330329331 565701807 /nfs/dbraw/zinc/70/18/07/565701807.db2.gz MLHNREUJSXPBHK-HWRSSNJWSA-N 0 0 377.535 3.407 20 30 GGEDRN CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000410979129 565702101 /nfs/dbraw/zinc/70/21/01/565702101.db2.gz MCCTWWRORAECQK-CYBMUJFWSA-N 0 0 396.310 3.207 20 30 GGEDRN CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000410972643 565702249 /nfs/dbraw/zinc/70/22/49/565702249.db2.gz HQRCZSJIPQWATP-OAHLLOKOSA-N 0 0 378.270 3.440 20 30 GGEDRN N#Cc1cc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)ccc1Br ZINC000410974022 565702376 /nfs/dbraw/zinc/70/23/76/565702376.db2.gz IQAVQFKNWZEZJU-GFCCVEGCSA-N 0 0 376.254 3.050 20 30 GGEDRN N#Cc1cc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)ccc1Br ZINC000410974024 565702572 /nfs/dbraw/zinc/70/25/72/565702572.db2.gz IQAVQFKNWZEZJU-LBPRGKRZSA-N 0 0 376.254 3.050 20 30 GGEDRN CC(=O)NC[C@H](CC(=O)Nc1ccc(Br)c(C#N)c1)CC(C)C ZINC000410966070 565702650 /nfs/dbraw/zinc/70/26/50/565702650.db2.gz KDEIKNVOFJVHCJ-ZDUSSCGKSA-N 0 0 380.286 3.448 20 30 GGEDRN CC(C)C(=O)N1CCC(C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000410991666 565703165 /nfs/dbraw/zinc/70/31/65/565703165.db2.gz VLXVAWOCKFPQSF-UHFFFAOYSA-N 0 0 378.270 3.154 20 30 GGEDRN CCN1CCN(C(=O)Nc2cc(Br)ccc2C)C[C@@H]1c1ncc[nH]1 ZINC000330346791 565703247 /nfs/dbraw/zinc/70/32/47/565703247.db2.gz GZVGQMBOHHEAIW-OAHLLOKOSA-N 0 0 392.301 3.405 20 30 GGEDRN COc1c(Cl)cc(NC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1Cl ZINC000330351082 565703256 /nfs/dbraw/zinc/70/32/56/565703256.db2.gz LUVWHTHYCUNFPJ-GFCCVEGCSA-N 0 0 386.239 3.048 20 30 GGEDRN N#Cc1cc(NC(=O)[C@H]2CCCN2C(=O)C2CCCC2)ccc1Br ZINC000410983044 565703709 /nfs/dbraw/zinc/70/37/09/565703709.db2.gz PIRSNYANKZKMSW-MRXNPFEDSA-N 0 0 390.281 3.440 20 30 GGEDRN C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000330377548 565703925 /nfs/dbraw/zinc/70/39/25/565703925.db2.gz QELJGTILEGMMBX-ABAIWWIYSA-N 0 0 376.309 3.467 20 30 GGEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@H](C)c1ccccc1Br ZINC000330375344 565703994 /nfs/dbraw/zinc/70/39/94/565703994.db2.gz NSBHAFJAGSOBAW-QWHCGFSZSA-N 0 0 388.331 3.168 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)Nc1ccc(I)cc1OC ZINC000411011239 565704250 /nfs/dbraw/zinc/70/42/50/565704250.db2.gz LNNBLRBGSSSPSW-HNNXBMFYSA-N 0 0 389.233 3.467 20 30 GGEDRN CN(C)S(=O)(=O)c1cc(C(=O)Nc2sc(C(C)(C)C)cc2C#N)co1 ZINC000411007908 565704547 /nfs/dbraw/zinc/70/45/47/565704547.db2.gz QHIUYKGCRWOWRR-UHFFFAOYSA-N 0 0 381.479 3.013 20 30 GGEDRN C[C@@H]1Cc2sc(NC(=O)CC3(CS(C)(=O)=O)CC3)c(C#N)c2[C@@H](C)C1 ZINC000411017225 565704644 /nfs/dbraw/zinc/70/46/44/565704644.db2.gz SBZIVARHFBOWEE-RYUDHWBXSA-N 0 0 380.535 3.459 20 30 GGEDRN CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000330420734 565705148 /nfs/dbraw/zinc/70/51/48/565705148.db2.gz CXRVKAUDMALSTO-PGUXBMHVSA-N 0 0 382.302 3.243 20 30 GGEDRN CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2cnc(C#N)c(Cl)c2)cs1 ZINC000411032026 565705507 /nfs/dbraw/zinc/70/55/07/565705507.db2.gz MWGSZQYUXQPEOE-UHFFFAOYSA-N 0 0 377.857 3.229 20 30 GGEDRN COc1ccc([C@H](C)NC(=O)N[C@@H]2CCC(=O)NC2(C)C)cc1Br ZINC000330447591 565706098 /nfs/dbraw/zinc/70/60/98/565706098.db2.gz RWSBBHSTFBCRPJ-IINYFYTJSA-N 0 0 398.301 3.080 20 30 GGEDRN CCOc1c(Br)cc(Cl)cc1NC(=O)N[C@@H]1CCCNC1=O ZINC000330424502 565706115 /nfs/dbraw/zinc/70/61/15/565706115.db2.gz HQHUKERLMFIPAM-SNVBAGLBSA-N 0 0 390.665 3.106 20 30 GGEDRN CN(C)C[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000330435576 565706158 /nfs/dbraw/zinc/70/61/58/565706158.db2.gz MFOLHIRHKKBUBW-KRWDZBQOSA-N 0 0 383.945 3.336 20 30 GGEDRN CN(C)C[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000330435577 565706223 /nfs/dbraw/zinc/70/62/23/565706223.db2.gz MFOLHIRHKKBUBW-QGZVFWFLSA-N 0 0 383.945 3.336 20 30 GGEDRN Cc1noc([C@H](C)NC(=O)Nc2ccc(I)cc2C)n1 ZINC000330437707 565706340 /nfs/dbraw/zinc/70/63/40/565706340.db2.gz PZVWOYCOBAQWNA-QMMMGPOBSA-N 0 0 386.193 3.378 20 30 GGEDRN CCCC(=O)NC[C@@H]1CCCN(C(=O)Nc2nc(C(F)(F)F)cs2)C1 ZINC000330445445 565706478 /nfs/dbraw/zinc/70/64/78/565706478.db2.gz UHFNIKAWYPGEMV-JTQLQIEISA-N 0 0 378.420 3.336 20 30 GGEDRN N#Cc1ccc(N2CCN(c3ncc(Cl)cc3Br)CC2)nc1 ZINC000192697524 565706783 /nfs/dbraw/zinc/70/67/83/565706783.db2.gz RGQZCHMBDRADKV-UHFFFAOYSA-N 0 0 378.661 3.091 20 30 GGEDRN CC(C)Oc1ccc(Cl)cc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000330450517 565706854 /nfs/dbraw/zinc/70/68/54/565706854.db2.gz YCHAUJXIRNEDGZ-UHFFFAOYSA-N 0 0 388.917 3.103 20 30 GGEDRN CC[C@@H](NC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000330425819 565706865 /nfs/dbraw/zinc/70/68/65/565706865.db2.gz DPLXQZJGIMQHIU-MRXNPFEDSA-N 0 0 387.933 3.061 20 30 GGEDRN 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CC1(C)C[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCO1 ZINC000416503877 566077629 /nfs/dbraw/zinc/07/76/29/566077629.db2.gz RMZVAFWGDKYFKL-NSHDSACASA-N 0 0 376.400 3.061 20 30 GGEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NCc2cncs2)c1 ZINC000288524113 566078038 /nfs/dbraw/zinc/07/80/38/566078038.db2.gz JTDWQWBEUMUXOE-LVZFUZTISA-N 0 0 378.523 3.348 20 30 GGEDRN N#Cc1ccccc1CS(=O)(=O)Cc1ccc(I)cc1 ZINC000180620857 566078439 /nfs/dbraw/zinc/07/84/39/566078439.db2.gz UCRKTRZQGIMOAG-UHFFFAOYSA-N 0 0 397.237 3.278 20 30 GGEDRN CCS(=O)(=O)c1ccc(Br)c(C(=O)NC2(C#N)CCCCC2)c1 ZINC000180632722 566078471 /nfs/dbraw/zinc/07/84/71/566078471.db2.gz SVTPZCPMXCYAJU-UHFFFAOYSA-N 0 0 399.310 3.199 20 30 GGEDRN Cc1c(Br)ccc2c1N(S(=O)(=O)c1cccnc1C#N)CCC2 ZINC000416506290 566079505 /nfs/dbraw/zinc/07/95/05/566079505.db2.gz FVOQXTZGIBRKCN-UHFFFAOYSA-N 0 0 392.278 3.166 20 30 GGEDRN C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H](c2ccccc2)CO1 ZINC000248530798 566079685 /nfs/dbraw/zinc/07/96/85/566079685.db2.gz 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C=CCCC[C@@H](C)NS(=O)(=O)c1cc(OC)c(OC)cc1Br ZINC000180842845 566092701 /nfs/dbraw/zinc/09/27/01/566092701.db2.gz HWQZJBGNIYYCII-LLVKDONJSA-N 0 0 392.315 3.489 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[C@H]1CCO[C@H](C)C1 ZINC000288827251 566093461 /nfs/dbraw/zinc/09/34/61/566093461.db2.gz ISVYSYJEPHXDJT-KGLIPLIRSA-N 0 0 384.929 3.238 20 30 GGEDRN COCC1CCC(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000416600345 566093512 /nfs/dbraw/zinc/09/35/12/566093512.db2.gz XPCIPBRCFRCNHU-UHFFFAOYSA-N 0 0 376.400 3.061 20 30 GGEDRN CO[C@@](C)([C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C1CC1 ZINC000416601319 566093615 /nfs/dbraw/zinc/09/36/15/566093615.db2.gz QUWITJZYGKNHIT-BONVTDFDSA-N 0 0 376.400 3.059 20 30 GGEDRN C=CCCC[C@H](C)NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000180845546 566093730 /nfs/dbraw/zinc/09/37/30/566093730.db2.gz HJNAMFPBHOYMJJ-LBPRGKRZSA-N 0 0 378.416 3.002 20 30 GGEDRN CC(C)(C#N)Cc1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000288855069 566094337 /nfs/dbraw/zinc/09/43/37/566094337.db2.gz 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377.185 3.427 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(C)(CC)C1 ZINC000462735685 566349131 /nfs/dbraw/zinc/34/91/31/566349131.db2.gz LRBNXSLBMDVJAM-UHFFFAOYSA-N 0 0 381.270 3.357 20 30 GGEDRN COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C1CCCCC1 ZINC000462724724 566350051 /nfs/dbraw/zinc/35/00/51/566350051.db2.gz FHANPKNOJDZQEM-MRXNPFEDSA-N 0 0 384.885 3.002 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)NCc2cccc(Br)c2)CC1 ZINC000509947562 566350361 /nfs/dbraw/zinc/35/03/61/566350361.db2.gz CVVZDMJGCOOLSO-UHFFFAOYSA-N 0 0 399.292 3.353 20 30 GGEDRN COC(=O)[C@@H](NC(=O)c1ccc(CC#N)cc1)c1ccc(Br)cc1 ZINC000536098041 566350467 /nfs/dbraw/zinc/35/04/67/566350467.db2.gz GMYPWRKROWQMBJ-INIZCTEOSA-N 0 0 387.233 3.159 20 30 GGEDRN CC#CC[C@H](CO)NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000649185920 566350468 /nfs/dbraw/zinc/35/04/68/566350468.db2.gz NMSUDTIHKUOXRS-LLVKDONJSA-N 0 0 383.231 3.065 20 30 GGEDRN C[C@@H](N[C@@H](C)c1ccc(Br)cn1)C(=O)NC1(C#N)CCCCC1 ZINC000482992378 566350717 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C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2cscc2Br)C1=O ZINC000576502143 566351371 /nfs/dbraw/zinc/35/13/71/566351371.db2.gz GUBNLPCBSGCYHR-MRXNPFEDSA-N 0 0 390.262 3.349 20 30 GGEDRN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCC(C)(C)CCC#N ZINC000576497048 566351781 /nfs/dbraw/zinc/35/17/81/566351781.db2.gz MLIRKLRNLKNALC-SNVBAGLBSA-N 0 0 386.315 3.075 20 30 GGEDRN O=C1[C@H](N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CCN1CC(F)(F)F ZINC000600625888 566352219 /nfs/dbraw/zinc/35/22/19/566352219.db2.gz VYIVYXYWHDTCOW-IWSPIJDZSA-N 0 0 386.258 3.212 20 30 GGEDRN O=C1[C@@H](N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CCN1CC(F)(F)F ZINC000600625891 566352456 /nfs/dbraw/zinc/35/24/56/566352456.db2.gz VYIVYXYWHDTCOW-YIZRAAEISA-N 0 0 386.258 3.212 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C)C[C@H](CO)C1 ZINC000421166631 566352942 /nfs/dbraw/zinc/35/29/42/566352942.db2.gz ZVQMLXBWLGRSBX-STQMWFEESA-N 0 0 383.286 3.496 20 30 GGEDRN Cn1ncc(C(=O)Nc2ccc(Br)cc2Br)c1C#N ZINC000483037361 566353673 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COCC[C@H](NC(=O)COc1cccc(Br)c1C#N)c1ccco1 ZINC000450507665 566679238 /nfs/dbraw/zinc/67/92/38/566679238.db2.gz UDJQLWFKPGDJHX-AWEZNQCLSA-N 0 0 393.237 3.187 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N1CCc2ccc(Br)cc21 ZINC000487547142 566679513 /nfs/dbraw/zinc/67/95/13/566679513.db2.gz YCUSNXDYNGMWDL-UHFFFAOYSA-N 0 0 387.233 3.297 20 30 GGEDRN CC#CCN(C)C(=O)NCc1cc(Cl)cc(I)c1 ZINC000425836911 566679572 /nfs/dbraw/zinc/67/95/72/566679572.db2.gz RVUFXKWZYYYRTJ-UHFFFAOYSA-N 0 0 376.625 3.109 20 30 GGEDRN C=CCCn1cc(CN[C@H](C)c2cc3c(cc2Br)OCCO3)nn1 ZINC000653602061 566679758 /nfs/dbraw/zinc/67/97/58/566679758.db2.gz LNCJNMVPXNVYMU-GFCCVEGCSA-N 0 0 393.285 3.239 20 30 GGEDRN CO[C@@H](c1ccccc1Cl)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1F ZINC000540894760 566680227 /nfs/dbraw/zinc/68/02/27/566680227.db2.gz DFSOGGWAPODROJ-APPDUMDISA-N 0 0 382.844 3.405 20 30 GGEDRN Cc1ccc(NC(=O)c2ccc(C#N)s2)cc1S(=O)(=O)NC(C)(C)C ZINC000487576273 566680987 /nfs/dbraw/zinc/68/09/87/566680987.db2.gz WGWWHDIWNUTPDF-UHFFFAOYSA-N 0 0 377.491 3.257 20 30 GGEDRN N#Cc1ccc(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000487564154 566681207 /nfs/dbraw/zinc/68/12/07/566681207.db2.gz WRGREDTXFNLOGR-UHFFFAOYSA-N 0 0 375.759 3.496 20 30 GGEDRN C=C(C)CN(Cc1ccc(CO)o1)c1ccc(I)cn1 ZINC000450530010 566681226 /nfs/dbraw/zinc/68/12/26/566681226.db2.gz OPOPAEGLYOCTCN-UHFFFAOYSA-N 0 0 384.217 3.354 20 30 GGEDRN C=CC[C@H](C(=O)Nc1nnc(SCC(=O)OCC)s1)c1ccccc1 ZINC000487582803 566682416 /nfs/dbraw/zinc/68/24/16/566682416.db2.gz JGALQSLMAGLRKI-ZDUSSCGKSA-N 0 0 377.491 3.492 20 30 GGEDRN COc1cc(OC)c2ncc(C#N)c(NCc3n[nH]cc3Br)c2c1 ZINC000561192893 566682674 /nfs/dbraw/zinc/68/26/74/566682674.db2.gz ZPPJPBCNXFITBE-UHFFFAOYSA-N 0 0 388.225 3.221 20 30 GGEDRN N#Cc1ccnc(NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)c1Cl ZINC000561189171 566683063 /nfs/dbraw/zinc/68/30/63/566683063.db2.gz YPOZPFPMIKJQHU-INIZCTEOSA-N 0 0 377.275 3.167 20 30 GGEDRN C[C@H]1C[C@H](CCNC(=O)COc2cccc(Br)c2C#N)CCO1 ZINC000450552138 566683974 /nfs/dbraw/zinc/68/39/74/566683974.db2.gz 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COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1cccc(C#N)c1Br ZINC000450581887 566687137 /nfs/dbraw/zinc/68/71/37/566687137.db2.gz PSWLTXHNOXECBE-CXAGYDPISA-N 0 0 379.254 3.172 20 30 GGEDRN N#Cc1ccc(OCC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000561228513 566687324 /nfs/dbraw/zinc/68/73/24/566687324.db2.gz AQDPIXKMBSEBKJ-KRWDZBQOSA-N 0 0 379.243 3.484 20 30 GGEDRN C=CCCN(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000468188762 566687716 /nfs/dbraw/zinc/68/77/16/566687716.db2.gz MCHKCAWCEIPUIZ-CQSZACIVSA-N 0 0 384.263 3.233 20 30 GGEDRN COC(=O)c1cc(Br)c(OC)cc1NC(=O)c1sccc1C#N ZINC000580375940 566687780 /nfs/dbraw/zinc/68/77/80/566687780.db2.gz ZGLVYAQUGGYPKX-UHFFFAOYSA-N 0 0 395.234 3.430 20 30 GGEDRN Cc1cnc([C@H](C)CNC(=O)COc2ccc(C#N)c(Br)c2)s1 ZINC000450583552 566687966 /nfs/dbraw/zinc/68/79/66/566687966.db2.gz CJPVMYWUAGVLBR-SNVBAGLBSA-N 0 0 394.294 3.384 20 30 GGEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCC(=O)NC ZINC000515045760 566688049 /nfs/dbraw/zinc/68/80/49/566688049.db2.gz 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COc1c(F)cc(S(=O)(=O)Nc2ccc(C#N)cc2Cl)cc1[N+](=O)[O-] ZINC000488279602 566720189 /nfs/dbraw/zinc/72/01/89/566720189.db2.gz PIVZXXBWGDLSDV-UHFFFAOYSA-N 0 0 385.760 3.068 20 30 GGEDRN C=CCOC[C@H]1NC(=O)N([C@H]2c3cc(Br)ccc3CC2(C)C)C1=O ZINC000515546522 566720508 /nfs/dbraw/zinc/72/05/08/566720508.db2.gz CALFNFBVIVKPDX-CABCVRRESA-N 0 0 393.281 3.196 20 30 GGEDRN COCc1nc(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)cs1 ZINC000426600645 566720630 /nfs/dbraw/zinc/72/06/30/566720630.db2.gz KJOARGJGVXRCHX-UHFFFAOYSA-N 0 0 390.262 3.287 20 30 GGEDRN N#Cc1ccc(I)c(OCc2nnc(C3CC3)s2)c1 ZINC000450939428 566721452 /nfs/dbraw/zinc/72/14/52/566721452.db2.gz CIZMRYFZMZKZSO-UHFFFAOYSA-N 0 0 383.214 3.471 20 30 GGEDRN COC(=O)[C@H]1CN(c2ncc(Br)cc2C#N)C[C@H]1c1ccccc1 ZINC000450932815 566721732 /nfs/dbraw/zinc/72/17/32/566721732.db2.gz CSAXIQWQDGCZSB-HOTGVXAUSA-N 0 0 386.249 3.109 20 30 GGEDRN CN([C@@H]1C[C@H](Oc2ccccc2)C1(C)C)S(=O)(=O)c1ccc(C#N)s1 ZINC000561563492 566722047 /nfs/dbraw/zinc/72/20/47/566722047.db2.gz 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COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@](C)(C#N)C(C)(C)C ZINC000468777971 566728363 /nfs/dbraw/zinc/72/83/63/566728363.db2.gz CAIWWTQJJYOXDH-PXAZEXFGSA-N 0 0 388.917 3.360 20 30 GGEDRN CN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)CC(C)(C)CC#N ZINC000450983388 566728428 /nfs/dbraw/zinc/72/84/28/566728428.db2.gz XWFUPNMHTBDZAK-UHFFFAOYSA-N 0 0 392.308 3.133 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCc2cc(F)cc(F)c2)c(C(F)(F)F)c1 ZINC000515707839 566728845 /nfs/dbraw/zinc/72/88/45/566728845.db2.gz XFZBGLFQKJNOEG-UHFFFAOYSA-N 0 0 376.306 3.334 20 30 GGEDRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)CC(C)(C)CC#N ZINC000450981688 566728720 /nfs/dbraw/zinc/72/87/20/566728720.db2.gz YLZRNRLLZDYBLR-UHFFFAOYSA-N 0 0 392.308 3.133 20 30 GGEDRN Cc1nn(C)c(N2CCN([C@H](C)c3ccc(Br)cc3)CC2)c1C#N ZINC000515710411 566729428 /nfs/dbraw/zinc/72/94/28/566729428.db2.gz JZKVDMGCCXPLKK-CQSZACIVSA-N 0 0 388.313 3.246 20 30 GGEDRN C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C[C@@H](C(F)(F)F)O1 ZINC000608746681 566730835 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CC[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451001654 566733166 /nfs/dbraw/zinc/73/31/66/566733166.db2.gz QKGGFWLWYFNTTM-INIZCTEOSA-N 0 0 378.881 3.372 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000580907436 566733335 /nfs/dbraw/zinc/73/33/35/566733335.db2.gz INSBFBWGXXUZRO-IAQYHMDHSA-N 0 0 383.242 3.377 20 30 GGEDRN CC(=O)N[C@@H](CC(=O)NCC(C)(C)CCC#N)c1ccc(Br)cc1 ZINC000561731712 566734020 /nfs/dbraw/zinc/73/40/20/566734020.db2.gz UKZLIWFOHDFPPK-INIZCTEOSA-N 0 0 394.313 3.463 20 30 GGEDRN C=C[C@H](CO)NC(=O)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC000426845341 566734145 /nfs/dbraw/zinc/73/41/45/566734145.db2.gz KZNDYACDPOSBIK-PBHICJAKSA-N 0 0 394.240 3.371 20 30 GGEDRN CC(=O)N[C@H](CC(=O)NCC(C)(C)CCC#N)c1ccc(Br)cc1 ZINC000561731714 566734261 /nfs/dbraw/zinc/73/42/61/566734261.db2.gz UKZLIWFOHDFPPK-MRXNPFEDSA-N 0 0 394.313 3.463 20 30 GGEDRN C=C[C@H](CO)NC(=O)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1 ZINC000426847141 566734713 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C[C@H](CNC(=O)CNc1cccc(C#N)c1)Oc1cccc(Br)c1 ZINC000426867416 566736097 /nfs/dbraw/zinc/73/60/97/566736097.db2.gz VCDGQLXJQGNSQC-CYBMUJFWSA-N 0 0 388.265 3.316 20 30 GGEDRN C=C[C@H](CO)NC(=O)c1cccnc1SCc1cccc(Br)c1 ZINC000426857103 566736126 /nfs/dbraw/zinc/73/61/26/566736126.db2.gz OAKCCLUIHWYLDF-CQSZACIVSA-N 0 0 393.306 3.413 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000580937159 566736391 /nfs/dbraw/zinc/73/63/91/566736391.db2.gz JYWXXQILLPIQFE-NORZTCDRSA-N 0 0 382.254 3.004 20 30 GGEDRN C=C[C@@H](CO)NC(=O)c1cccnc1SCc1cccc(Br)c1 ZINC000426857102 566736571 /nfs/dbraw/zinc/73/65/71/566736571.db2.gz OAKCCLUIHWYLDF-AWEZNQCLSA-N 0 0 393.306 3.413 20 30 GGEDRN COc1c(Cl)cc(NC(=O)C(=O)NCc2ccc(C#N)cc2)cc1Cl ZINC000608795228 566736719 /nfs/dbraw/zinc/73/67/19/566736719.db2.gz PTHYCROJWRGIEQ-UHFFFAOYSA-N 0 0 378.215 3.129 20 30 GGEDRN C=C[C@H](CO)NC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000426856945 566736642 /nfs/dbraw/zinc/73/66/42/566736642.db2.gz 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COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@](C)(C#N)CCSC)c1 ZINC000451026663 566737865 /nfs/dbraw/zinc/73/78/65/566737865.db2.gz LXAQFZBXNZUODI-CYBMUJFWSA-N 0 0 382.429 3.028 20 30 GGEDRN CC(C)C[C@H](C#N)NC(=O)CCC(=O)c1ccc(I)cc1 ZINC000608823371 566738063 /nfs/dbraw/zinc/73/80/63/566738063.db2.gz NZHZLYFEYRLCOI-CQSZACIVSA-N 0 0 398.244 3.309 20 30 GGEDRN C[C@H](C1CC1)N(C1CC1)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451034047 566739104 /nfs/dbraw/zinc/73/91/04/566739104.db2.gz VWLRBOOCDQZEJP-SECBINFHSA-N 0 0 387.274 3.411 20 30 GGEDRN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(Br)cn2CC)n1 ZINC000608865807 566739271 /nfs/dbraw/zinc/73/92/71/566739271.db2.gz VFESYMHHURVMFF-JTQLQIEISA-N 0 0 396.266 3.394 20 30 GGEDRN Cc1c(Br)cccc1NC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000608892922 566740701 /nfs/dbraw/zinc/74/07/01/566740701.db2.gz IGOJZSJRTVMGQM-GFCCVEGCSA-N 0 0 386.249 3.445 20 30 GGEDRN CN(C)[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)c1ccsc1 ZINC000451040586 566740724 /nfs/dbraw/zinc/74/07/24/566740724.db2.gz 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566772793 /nfs/dbraw/zinc/77/27/93/566772793.db2.gz OKEPAQDBCBKQMX-INIZCTEOSA-N 0 0 375.270 3.113 20 30 GGEDRN CC(=O)NCc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Br)cc1 ZINC000609591292 566772812 /nfs/dbraw/zinc/77/28/12/566772812.db2.gz RKIYNCMUCGNJLA-KRWDZBQOSA-N 0 0 386.249 3.080 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccc(-n2cnnc2)cc1)c1ccccc1Br ZINC000609590972 566772863 /nfs/dbraw/zinc/77/28/63/566772863.db2.gz IEMOQYWJGALDMK-MRXNPFEDSA-N 0 0 382.221 3.024 20 30 GGEDRN C=CCCCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000489118789 566772849 /nfs/dbraw/zinc/77/28/49/566772849.db2.gz VAAZEDRYTKLQBM-UHFFFAOYSA-N 0 0 391.320 3.047 20 30 GGEDRN CCCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451185797 566772947 /nfs/dbraw/zinc/77/29/47/566772947.db2.gz AYDFJFXGXJFEQU-UHFFFAOYSA-N 0 0 383.901 3.014 20 30 GGEDRN N#C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1Br ZINC000609591518 566772874 /nfs/dbraw/zinc/77/28/74/566772874.db2.gz OQHAITCQLWCTOF-CQSZACIVSA-N 0 0 378.157 3.491 20 30 GGEDRN COCCOc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Br)cc1 ZINC000609591476 566772927 /nfs/dbraw/zinc/77/29/27/566772927.db2.gz NYAMWVCIHBADDL-KRWDZBQOSA-N 0 0 389.249 3.469 20 30 GGEDRN COc1ccc(OCC(=O)N[C@@H](C#N)c2ccccc2Br)cc1 ZINC000609591358 566772941 /nfs/dbraw/zinc/77/29/41/566772941.db2.gz SEWOZYOVVOYZQY-INIZCTEOSA-N 0 0 375.222 3.218 20 30 GGEDRN CN(C)C(=O)c1cccc(C(=O)N[C@@H](C#N)c2ccccc2Br)c1 ZINC000609591419 566773194 /nfs/dbraw/zinc/77/31/94/566773194.db2.gz NCCCNBCUEHIDOA-INIZCTEOSA-N 0 0 386.249 3.146 20 30 GGEDRN N#C[C@@H](NC(=O)CSC[C@H]1CCCCO1)c1ccccc1Br ZINC000609590245 566773197 /nfs/dbraw/zinc/77/31/97/566773197.db2.gz GPJBRBDSYIYOEY-IUODEOHRSA-N 0 0 383.311 3.432 20 30 GGEDRN CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(C#N)c(Br)c2)c1 ZINC000581393853 566773345 /nfs/dbraw/zinc/77/33/45/566773345.db2.gz KPLIMEUNTZXWIU-UHFFFAOYSA-N 0 0 393.262 3.118 20 30 GGEDRN CCC(CC)N1C[C@H](C(=O)N[C@@H](C#N)c2ccccc2Br)CC1=O ZINC000609592167 566773969 /nfs/dbraw/zinc/77/39/69/566773969.db2.gz 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/nfs/dbraw/zinc/77/42/63/566774263.db2.gz LHGNFOQZGYHHHY-HNNXBMFYSA-N 0 0 376.279 3.458 20 30 GGEDRN CN(CCCNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1F ZINC000516615801 566774234 /nfs/dbraw/zinc/77/42/34/566774234.db2.gz ISKKYOCENGXZAR-UHFFFAOYSA-N 0 0 381.860 3.156 20 30 GGEDRN CC(C)C(=O)N1CCC(C(=O)N[C@@H](C#N)c2ccccc2Br)CC1 ZINC000609593464 566774305 /nfs/dbraw/zinc/77/43/05/566774305.db2.gz XIQSBVOXXPSRGG-INIZCTEOSA-N 0 0 392.297 3.025 20 30 GGEDRN Cc1[nH]nc2nc(C)cc(C(=O)N[C@H](C#N)c3ccccc3Br)c12 ZINC000609592750 566774337 /nfs/dbraw/zinc/77/43/37/566774337.db2.gz HFPLLWKZHBEIAF-CQSZACIVSA-N 0 0 384.237 3.332 20 30 GGEDRN CCCC(=O)N1CCC[C@H](C(=O)N[C@@H](C#N)c2ccccc2Br)C1 ZINC000609591960 566774386 /nfs/dbraw/zinc/77/43/86/566774386.db2.gz TZMYTACKAWGZBM-BBRMVZONSA-N 0 0 392.297 3.169 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCc3c2cccc3Br)cc1F ZINC000489189136 566774523 /nfs/dbraw/zinc/77/45/23/566774523.db2.gz PKHZITNVKQXDTA-MRXNPFEDSA-N 0 0 395.253 3.426 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cn(CCC)nn1 ZINC000678003017 566775092 /nfs/dbraw/zinc/77/50/92/566775092.db2.gz XHLMKONNIIFXCQ-UHFFFAOYSA-N 0 0 381.249 3.418 20 30 GGEDRN N#CCc1ccc(S(=O)(=O)N2CCC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000451200364 566775134 /nfs/dbraw/zinc/77/51/34/566775134.db2.gz JNMRIMHYUDIQRW-ZDUSSCGKSA-N 0 0 381.910 3.431 20 30 GGEDRN COc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Br)cc1OC ZINC000609593698 566775269 /nfs/dbraw/zinc/77/52/69/566775269.db2.gz DQFQGTZGAANRQE-AWEZNQCLSA-N 0 0 375.222 3.461 20 30 GGEDRN CC(=O)Nc1ccc(CC(=O)N[C@H](C#N)c2ccccc2Br)cc1 ZINC000609593761 566775606 /nfs/dbraw/zinc/77/56/06/566775606.db2.gz HMUUSGJRBOSYJB-QGZVFWFLSA-N 0 0 386.249 3.331 20 30 GGEDRN CCN1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)c2ccccc21 ZINC000451196265 566775992 /nfs/dbraw/zinc/77/59/92/566775992.db2.gz QFAWIYAFZHFUNN-UHFFFAOYSA-N 0 0 375.881 3.441 20 30 GGEDRN CC(C)C[C@H](NS(=O)(=O)c1ccc(CC#N)cc1Cl)C(=O)OC(C)C ZINC000451203145 566776620 /nfs/dbraw/zinc/77/66/20/566776620.db2.gz RGVLMYJHGPZFFV-HNNXBMFYSA-N 0 0 386.901 3.051 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NC2(c3ccccc3)CCOCC2)cc1Cl ZINC000609620567 566776680 /nfs/dbraw/zinc/77/66/80/566776680.db2.gz ILQLQAZRUYIHFQ-UHFFFAOYSA-N 0 0 376.865 3.196 20 30 GGEDRN O=C(c1c(F)cc(C(F)(F)F)cc1F)N1CCN(CC(F)(F)F)CC1 ZINC000516689818 566776915 /nfs/dbraw/zinc/77/69/15/566776915.db2.gz YVRAWJHIKOORBA-UHFFFAOYSA-N 0 0 376.247 3.304 20 30 GGEDRN COc1ccc2c(c1)CCCN(S(=O)(=O)c1cccc(Cl)c1C#N)C2 ZINC000609614703 566777632 /nfs/dbraw/zinc/77/76/32/566777632.db2.gz FEFAANVKDYOKNN-UHFFFAOYSA-N 0 0 376.865 3.357 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)[C@H]3CC34CCSCC4)CC2)c(Cl)c1 ZINC000451219885 566778221 /nfs/dbraw/zinc/77/82/21/566778221.db2.gz UVUBINWGRLRNSA-OAHLLOKOSA-N 0 0 375.925 3.394 20 30 GGEDRN O=S(=O)(Cc1c(F)cccc1F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000678036585 566778738 /nfs/dbraw/zinc/77/87/38/566778738.db2.gz IODCJZZBULFZID-RKDXNWHRSA-N 0 0 397.287 3.467 20 30 GGEDRN CCOC(=O)[C@]1(COC)CCCN(c2ccc(C#N)cc2Br)C1 ZINC000542161699 566779647 /nfs/dbraw/zinc/77/96/47/566779647.db2.gz YOHDPBPHHLEVSW-QGZVFWFLSA-N 0 0 381.270 3.117 20 30 GGEDRN Cc1sc(=O)n(CCC(=O)N[C@H](C#N)c2ccccc2Br)c1C ZINC000609663236 566780402 /nfs/dbraw/zinc/78/04/02/566780402.db2.gz NVNHUNDPSULGMF-CQSZACIVSA-N 0 0 394.294 3.060 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(Cl)cc1I ZINC000451228847 566780463 /nfs/dbraw/zinc/78/04/63/566780463.db2.gz PIKGATAOOKXTGK-YPMHNXCESA-N 0 0 391.636 3.152 20 30 GGEDRN C[C@@]1(c2cccc(Br)c2)NC(=O)N(Cc2ccc(CC#N)cc2)C1=O ZINC000542193676 566781377 /nfs/dbraw/zinc/78/13/77/566781377.db2.gz HUKLNNPEGOSKDF-IBGZPJMESA-N 0 0 398.260 3.482 20 30 GGEDRN CN(CC1(c2ccc(Br)cc2)CC1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451238769 566781825 /nfs/dbraw/zinc/78/18/25/566781825.db2.gz DNTGXEHNYYGMDP-UHFFFAOYSA-N 0 0 397.338 3.436 20 30 GGEDRN CCc1ccc([C@@H](COC)NS(=O)(=O)c2ccc(CC#N)cc2Cl)o1 ZINC000451242143 566781886 /nfs/dbraw/zinc/78/18/86/566781886.db2.gz MPOPFXSFJIQNNM-OAHLLOKOSA-N 0 0 382.869 3.227 20 30 GGEDRN N#CCN1CCC(NC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000609716331 566782147 /nfs/dbraw/zinc/78/21/47/566782147.db2.gz LMLLGDKQHYWNSI-QGZVFWFLSA-N 0 0 378.929 3.127 20 30 GGEDRN Cc1ccc(S(N)(=O)=O)c(N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1F ZINC000631120846 566782452 /nfs/dbraw/zinc/78/24/52/566782452.db2.gz DVDPOYIXHIVICK-UHFFFAOYSA-N 0 0 394.312 3.103 20 30 GGEDRN Cc1c(Cl)cnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c1C#N ZINC000542209246 566782555 /nfs/dbraw/zinc/78/25/55/566782555.db2.gz HOPLWOOKHHEWFW-UHFFFAOYSA-N 0 0 375.259 3.417 20 30 GGEDRN C=CCNc1ncc(C(=O)NCc2cc3cc(Br)ccc3[nH]2)s1 ZINC000469335558 566783125 /nfs/dbraw/zinc/78/31/25/566783125.db2.gz LPHWCTWKXLJYKD-UHFFFAOYSA-N 0 0 391.294 3.337 20 30 GGEDRN COc1ccc(NC(=O)C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1 ZINC000609732675 566783529 /nfs/dbraw/zinc/78/35/29/566783529.db2.gz ICKIZRJFYXVSGY-AWEZNQCLSA-N 0 0 378.215 3.322 20 30 GGEDRN CC[C@@H](Cc1cccc(Br)c1)C(=O)NC1CCN(CC#N)CC1 ZINC000609754892 566783618 /nfs/dbraw/zinc/78/36/18/566783618.db2.gz MZFINYYSIZFZCY-HNNXBMFYSA-N 0 0 378.314 3.122 20 30 GGEDRN N#Cc1ccc(F)c(Cn2cnc3cc(F)c(Br)cc3c2=O)c1 ZINC000542219949 566784024 /nfs/dbraw/zinc/78/40/24/566784024.db2.gz FSBUBFVWBFVRAE-UHFFFAOYSA-N 0 0 376.160 3.357 20 30 GGEDRN N#Cc1cccc(Cn2cnc3cc(F)c(Br)cc3c2=O)c1F ZINC000542221239 566784083 /nfs/dbraw/zinc/78/40/83/566784083.db2.gz VXFJKHKSYPFWOP-UHFFFAOYSA-N 0 0 376.160 3.357 20 30 GGEDRN N#CCc1ccc(CS(=O)(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000542218740 566784187 /nfs/dbraw/zinc/78/41/87/566784187.db2.gz ZRJKZFXCSYFBER-UHFFFAOYSA-N 0 0 377.849 3.292 20 30 GGEDRN CC(C)C[C@@H](C#N)NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000609793237 566784386 /nfs/dbraw/zinc/78/43/86/566784386.db2.gz ZRWFDGDXKPBQAD-LBPRGKRZSA-N 0 0 379.233 3.442 20 30 GGEDRN N#CCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2n2cccn2)c(Cl)c1 ZINC000451268365 566784506 /nfs/dbraw/zinc/78/45/06/566784506.db2.gz DETMFHVKFPQERR-JKSUJKDBSA-N 0 0 378.885 3.065 20 30 GGEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C(N)=O)C(C)C ZINC000516827091 566784465 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N#CCc1ccc(S(=O)(=O)N2CCO[C@@H](c3cccs3)C2)c(Cl)c1 ZINC000451313216 566794494 /nfs/dbraw/zinc/79/44/94/566794494.db2.gz MNZNUSVMJDWFKD-CQSZACIVSA-N 0 0 382.894 3.230 20 30 GGEDRN N#CCC1(CS(=O)(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000451317527 566794573 /nfs/dbraw/zinc/79/45/73/566794573.db2.gz WOYZBGJDPBDVNK-KRWDZBQOSA-N 0 0 375.881 3.438 20 30 GGEDRN N#Cc1ccc(Br)c(C[S@@](=O)c2ccc3c(c2)OCCO3)c1 ZINC000516946194 566795321 /nfs/dbraw/zinc/79/53/21/566795321.db2.gz YKHRFLDJRMPROL-JOCHJYFZSA-N 0 0 378.247 3.400 20 30 GGEDRN CC(C)C[C@]1(CO)CCCN1C(=O)COc1cccc(Br)c1C#N ZINC000451320014 566795666 /nfs/dbraw/zinc/79/56/66/566795666.db2.gz JWJROIYOTISVSN-SFHVURJKSA-N 0 0 395.297 3.099 20 30 GGEDRN N#CCC1(CNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000581644184 566795739 /nfs/dbraw/zinc/79/57/39/566795739.db2.gz ZEESMHYVYLJFEP-AWEZNQCLSA-N 0 0 377.286 3.021 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000542375325 566795716 /nfs/dbraw/zinc/79/57/16/566795716.db2.gz OXWVUQYWWRKUOV-KGLIPLIRSA-N 0 0 381.523 3.027 20 30 GGEDRN N#CC1(N(C2CC2)S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCC1 ZINC000427762939 566795801 /nfs/dbraw/zinc/79/58/01/566795801.db2.gz JAKBMJCDEOCFQG-UHFFFAOYSA-N 0 0 378.347 3.324 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000451324247 566795941 /nfs/dbraw/zinc/79/59/41/566795941.db2.gz XIHKXLZUKABRTR-BBWFWOEESA-N 0 0 379.298 3.443 20 30 GGEDRN CCOC(=O)C[C@@H](NC(=O)c1ccc(C#N)[nH]1)c1cccc(Br)c1 ZINC000542374169 566796055 /nfs/dbraw/zinc/79/60/55/566796055.db2.gz DRDKAIHWAIUQSO-OAHLLOKOSA-N 0 0 390.237 3.073 20 30 GGEDRN Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cccc(C#N)c1Br ZINC000451323813 566795990 /nfs/dbraw/zinc/79/59/90/566795990.db2.gz WMFHNMGFEMVJRS-LBPRGKRZSA-N 0 0 389.253 3.201 20 30 GGEDRN C=CCCCS(=O)(=O)N(CCN(C)C)c1cccc(Br)c1 ZINC000427772158 566796127 /nfs/dbraw/zinc/79/61/27/566796127.db2.gz CWKFVCUXZBORFN-UHFFFAOYSA-N 0 0 375.332 3.113 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CCCCS1(=O)=O ZINC000542375327 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GGEDRN COC[C@@H](Cn1cc2c(c(C#N)c1=O)CCC2)c1ccc(Br)cc1 ZINC000562542236 566799216 /nfs/dbraw/zinc/79/92/16/566799216.db2.gz CMJYQHGETNDNBC-OAHLLOKOSA-N 0 0 387.277 3.401 20 30 GGEDRN CC[C@@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)Oc1cccc(Cl)c1 ZINC000489612070 566799112 /nfs/dbraw/zinc/79/91/12/566799112.db2.gz YAWFULYWXGVAAN-HNNXBMFYSA-N 0 0 379.869 3.051 20 30 GGEDRN CCOc1ccc(Br)cc1S(=O)(=O)N(CC#N)C1CCCC1 ZINC000610006301 566799269 /nfs/dbraw/zinc/79/92/69/566799269.db2.gz OQOYCMBRELXSNO-UHFFFAOYSA-N 0 0 387.299 3.305 20 30 GGEDRN N#CCCn1cc(CNCc2n[nH]cc2Br)c(-c2ccccc2)n1 ZINC000610009915 566799341 /nfs/dbraw/zinc/79/93/41/566799341.db2.gz DUIRONLAAXZFJD-UHFFFAOYSA-N 0 0 385.269 3.239 20 30 GGEDRN N#Cc1cccc(NC(=O)CN2CCN(c3cccc(Br)c3)CC2)c1 ZINC000517020455 566799323 /nfs/dbraw/zinc/79/93/23/566799323.db2.gz BJSLKGYVDIIGJX-UHFFFAOYSA-N 0 0 399.292 3.081 20 30 GGEDRN CC1(C)[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)[C@@H]2CCCO[C@@H]21 ZINC000517010721 566799428 /nfs/dbraw/zinc/79/94/28/566799428.db2.gz ACKUXLHHVVUXLJ-XKQJLSEDSA-N 0 0 393.281 3.019 20 30 GGEDRN N#CCc1ccc(S(=O)(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(Cl)c1 ZINC000451336206 566799523 /nfs/dbraw/zinc/79/95/23/566799523.db2.gz FCAFXVYFCYGTBJ-KBRIMQKVSA-N 0 0 380.897 3.032 20 30 GGEDRN CC[C@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)Oc1cccc(Cl)c1 ZINC000489612071 566799424 /nfs/dbraw/zinc/79/94/24/566799424.db2.gz YAWFULYWXGVAAN-OAHLLOKOSA-N 0 0 379.869 3.051 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000517008061 566800114 /nfs/dbraw/zinc/80/01/14/566800114.db2.gz WXMZUKQOBAOLIZ-DOTOQJQBSA-N 0 0 398.260 3.240 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000581704963 566801065 /nfs/dbraw/zinc/80/10/65/566801065.db2.gz USQGLFYUKQOGCY-DIFFPNOSSA-N 0 0 391.265 3.002 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccnc(-n2cccn2)c1)c1ccccc1Br ZINC000610065106 566801485 /nfs/dbraw/zinc/80/14/85/566801485.db2.gz KDGVUZXONXBIIZ-OAHLLOKOSA-N 0 0 382.221 3.024 20 30 GGEDRN 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380.293 3.358 20 30 GGEDRN CO[C@H](c1ccccc1Cl)[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489688854 566804035 /nfs/dbraw/zinc/80/40/35/566804035.db2.gz HAFMXYDMTSGKQL-DIFFPNOSSA-N 0 0 382.844 3.405 20 30 GGEDRN N#CCC1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000542466916 566804032 /nfs/dbraw/zinc/80/40/32/566804032.db2.gz FJCDNTOBHLWTHF-UHFFFAOYSA-N 0 0 377.691 3.417 20 30 GGEDRN C[C@H](CCc1ccc(I)cc1)NC(=O)[C@@]1(C#N)C[C@@H]1C ZINC000451360392 566804143 /nfs/dbraw/zinc/80/41/43/566804143.db2.gz YHCSGQUWNYGNKP-HWWQOWPSSA-N 0 0 382.245 3.278 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCc2cc(F)ccc2Br)c(F)c1 ZINC000610083426 566804522 /nfs/dbraw/zinc/80/45/22/566804522.db2.gz DDBZNWDLINTFGW-UHFFFAOYSA-N 0 0 387.205 3.077 20 30 GGEDRN N#Cc1cnc(C(=O)Nc2ccc(I)cc2)c(Cl)c1 ZINC000427907745 566804547 /nfs/dbraw/zinc/80/45/47/566804547.db2.gz WTWQPPHEPXMNFV-UHFFFAOYSA-N 0 0 383.576 3.464 20 30 GGEDRN CC1(C)C[C@]1(C#N)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000427891454 566804688 /nfs/dbraw/zinc/80/46/88/566804688.db2.gz 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N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]1c1cccnc1 ZINC000581831338 566807534 /nfs/dbraw/zinc/80/75/34/566807534.db2.gz UGIZLPVSOSQCIW-OAHLLOKOSA-N 0 0 392.278 3.242 20 30 GGEDRN C=CCOC[C@H](NC(=O)c1cc2ccc(Br)cc2s1)C(=O)OC ZINC000451384537 566808147 /nfs/dbraw/zinc/80/81/47/566808147.db2.gz OURIGAOTMGCUCJ-LBPRGKRZSA-N 0 0 398.278 3.138 20 30 GGEDRN COC(=O)[C@@H](NS(=O)(=O)CC(C)(C)CC#N)c1ccc(Cl)cc1Cl ZINC000451391070 566809771 /nfs/dbraw/zinc/80/97/71/566809771.db2.gz FCLBQUYHIVHHLC-ZDUSSCGKSA-N 0 0 393.292 3.067 20 30 GGEDRN CN1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)c2ccc(F)cc21 ZINC000610151204 566810587 /nfs/dbraw/zinc/81/05/87/566810587.db2.gz LAPYDAAZTWHAAI-UHFFFAOYSA-N 0 0 379.844 3.386 20 30 GGEDRN C=CCCCS(=O)(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000489817894 566811147 /nfs/dbraw/zinc/81/11/47/566811147.db2.gz VWDCXTLBRFJJGS-CQSZACIVSA-N 0 0 391.320 3.374 20 30 GGEDRN CCCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451400490 566811233 /nfs/dbraw/zinc/81/12/33/566811233.db2.gz YSXLNGARQOOHJF-UHFFFAOYSA-N 0 0 386.901 3.148 20 30 GGEDRN Cc1ncc(S(=O)(=O)N[C@H](C)c2ccc(Br)s2)cc1C#N ZINC000489802078 566811476 /nfs/dbraw/zinc/81/14/76/566811476.db2.gz JQDBTUUKLCXQCL-SECBINFHSA-N 0 0 386.296 3.125 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@H](CO)c2c(Cl)cccc2Cl)cc1F ZINC000489814492 566811528 /nfs/dbraw/zinc/81/15/28/566811528.db2.gz BRTSNXSEHWYEPH-CQSZACIVSA-N 0 0 389.235 3.016 20 30 GGEDRN CC(=O)c1ccc(Br)cc1OCC(=O)NCc1ccc(C#N)cc1 ZINC000428038870 566811778 /nfs/dbraw/zinc/81/17/78/566811778.db2.gz ZUALJWOUZMUXBO-UHFFFAOYSA-N 0 0 387.233 3.219 20 30 GGEDRN COC(=O)c1cc(NC(=O)c2cccc(C#N)c2)c(Br)cc1F ZINC000610181335 566811792 /nfs/dbraw/zinc/81/17/92/566811792.db2.gz CEHKQPCPHJOUPN-UHFFFAOYSA-N 0 0 377.169 3.499 20 30 GGEDRN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000469779087 566812187 /nfs/dbraw/zinc/81/21/87/566812187.db2.gz HAFTYGOHYLFSMS-ZDUSSCGKSA-N 0 0 381.307 3.066 20 30 GGEDRN C=CCCCS(=O)(=O)N(CCOC)Cc1sccc1Br ZINC000489828226 566812737 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N#Cc1ccc(S(=O)(=O)N2CCc3ccc(Br)cc3C2)cc1F ZINC000489886198 566816457 /nfs/dbraw/zinc/81/64/57/566816457.db2.gz RVSKLNFVOJFKFI-UHFFFAOYSA-N 0 0 395.253 3.207 20 30 GGEDRN CC#CCCNC(=O)c1cccc(Br)c1I ZINC000542672580 566816703 /nfs/dbraw/zinc/81/67/03/566816703.db2.gz SVQQXPQQOYCSRB-UHFFFAOYSA-N 0 0 392.034 3.197 20 30 GGEDRN N#Cc1cccc(C(=O)NC2CCN(c3nccs3)CC2)c1Br ZINC000451424160 566817844 /nfs/dbraw/zinc/81/78/44/566817844.db2.gz DOKQYYSPQAAXKY-UHFFFAOYSA-N 0 0 391.294 3.176 20 30 GGEDRN N#CCN1CCC(CNC(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000610246834 566818202 /nfs/dbraw/zinc/81/82/02/566818202.db2.gz NLFNKOFHOHHOLB-UHFFFAOYSA-N 0 0 390.325 3.223 20 30 GGEDRN N#CCN1CCC(CNC(=O)CCSc2ccc(Br)cc2)CC1 ZINC000610246830 566818373 /nfs/dbraw/zinc/81/83/73/566818373.db2.gz KZIZYKVMSLUPCW-UHFFFAOYSA-N 0 0 396.354 3.283 20 30 GGEDRN C=CCC(C)(C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000489935615 566818762 /nfs/dbraw/zinc/81/87/62/566818762.db2.gz PDSYFBOHDIDBIT-OAHLLOKOSA-N 0 0 384.567 3.176 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](CO)c1cccc(Cl)c1F ZINC000542692157 566818694 /nfs/dbraw/zinc/81/86/94/566818694.db2.gz ZPNSNGAQTOPGTO-ZDUSSCGKSA-N 0 0 389.235 3.016 20 30 GGEDRN N#Cc1ccc(C(=O)Nc2nc3ccc(I)cc3s2)[nH]1 ZINC000428121517 566818848 /nfs/dbraw/zinc/81/88/48/566818848.db2.gz ODMIYQYIRSRLQV-UHFFFAOYSA-N 0 0 394.197 3.353 20 30 GGEDRN CCc1ccc([C@@H](C#N)NC(=O)c2cc(I)c[nH]2)cc1 ZINC000489966737 566819459 /nfs/dbraw/zinc/81/94/59/566819459.db2.gz XHCHHANCGNEIKJ-CQSZACIVSA-N 0 0 379.201 3.176 20 30 GGEDRN Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CCO1 ZINC000610265898 566819707 /nfs/dbraw/zinc/81/97/07/566819707.db2.gz LSAPPZGCNBNEAW-SFHVURJKSA-N 0 0 376.865 3.282 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCCO[C@H](c2ccccc2)C1 ZINC000610262977 566819855 /nfs/dbraw/zinc/81/98/55/566819855.db2.gz RZDJNJICMWDEPH-KRWDZBQOSA-N 0 0 376.865 3.364 20 30 GGEDRN C=CCn1cccc1C(=O)N(C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000489974333 566820012 /nfs/dbraw/zinc/82/00/12/566820012.db2.gz USXNSZSQOLRVMZ-MRXNPFEDSA-N 0 0 391.265 3.423 20 30 GGEDRN Cc1ccccc1[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CCO1 ZINC000610265897 566820100 /nfs/dbraw/zinc/82/01/00/566820100.db2.gz LSAPPZGCNBNEAW-GOSISDBHSA-N 0 0 376.865 3.282 20 30 GGEDRN Cc1ccccc1[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CCO1 ZINC000610265906 566820224 /nfs/dbraw/zinc/82/02/24/566820224.db2.gz NCZRGMKJICCGGP-QGZVFWFLSA-N 0 0 376.865 3.282 20 30 GGEDRN COc1ccc2c(c1)OCC[C@@H]2NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000610265666 566820863 /nfs/dbraw/zinc/82/08/63/566820863.db2.gz KDYULUNCGJWISI-INIZCTEOSA-N 0 0 378.837 3.022 20 30 GGEDRN C=CCn1cccc1C(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1 ZINC000489990864 566821366 /nfs/dbraw/zinc/82/13/66/566821366.db2.gz JMXRVNCBDCCNHZ-OAHLLOKOSA-N 0 0 377.238 3.081 20 30 GGEDRN CN(Cc1cc(C(C)(C)C)n[nH]1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451455544 566822138 /nfs/dbraw/zinc/82/21/38/566822138.db2.gz KEIMUFMMUWVYAX-UHFFFAOYSA-N 0 0 380.901 3.247 20 30 GGEDRN C[C@@H]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1(F)F ZINC000451458139 566822294 /nfs/dbraw/zinc/82/22/94/566822294.db2.gz FIGLWRXRUBLRLJ-MRVPVSSYSA-N 0 0 397.216 3.126 20 30 GGEDRN CCO[C@@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)c1ccccc1 ZINC000451458687 566822594 /nfs/dbraw/zinc/82/25/94/566822594.db2.gz OSSUMYIZUGFUJU-KRWDZBQOSA-N 0 0 378.881 3.462 20 30 GGEDRN C=CCN(C(=O)Nc1ccc(Cl)c2ncccc12)[C@H]1CCS(=O)(=O)C1 ZINC000678886549 566823988 /nfs/dbraw/zinc/82/39/88/566823988.db2.gz PNEKYHYERJNVSZ-LBPRGKRZSA-N 0 0 379.869 3.095 20 30 GGEDRN Cc1ccsc1CN(C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000517400106 566824478 /nfs/dbraw/zinc/82/44/78/566824478.db2.gz MGINERXMAGOXKF-UHFFFAOYSA-N 0 0 392.278 3.288 20 30 GGEDRN C=CCCN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000469884886 566824640 /nfs/dbraw/zinc/82/46/40/566824640.db2.gz QGEIDVMMVXTYMS-INIZCTEOSA-N 0 0 394.313 3.158 20 30 GGEDRN C=CCNC(=O)NC(=O)COc1cc(Cl)c(Br)cc1Cl ZINC000428236983 566824819 /nfs/dbraw/zinc/82/48/19/566824819.db2.gz HNZQDIMAIKELBS-UHFFFAOYSA-N 0 0 382.041 3.147 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(I)c(Cl)c1 ZINC000451481227 566825415 /nfs/dbraw/zinc/82/54/15/566825415.db2.gz QXXXKHZTVKZNJS-MFKMUULPSA-N 0 0 391.636 3.152 20 30 GGEDRN C[C@@H](NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)c1cccc(C#N)c1 ZINC000610363280 566826424 /nfs/dbraw/zinc/82/64/24/566826424.db2.gz VNCKMLSHEFEQRX-LLVKDONJSA-N 0 0 377.853 3.074 20 30 GGEDRN N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)C2)nc1 ZINC000490046950 566827443 /nfs/dbraw/zinc/82/74/43/566827443.db2.gz SBPRJPFTJHIIAM-GFCCVEGCSA-N 0 0 398.271 3.102 20 30 GGEDRN N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)C2)nc1 ZINC000490046953 566827789 /nfs/dbraw/zinc/82/77/89/566827789.db2.gz SBPRJPFTJHIIAM-LBPRGKRZSA-N 0 0 398.271 3.102 20 30 GGEDRN N#Cc1cc(C(=O)N2CCOc3ccc(Br)cc3C2)ccc1F ZINC000582069250 566828092 /nfs/dbraw/zinc/82/80/92/566828092.db2.gz FURBZEVHVOVLKZ-UHFFFAOYSA-N 0 0 375.197 3.495 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000610382926 566828126 /nfs/dbraw/zinc/82/81/26/566828126.db2.gz DOLGOOLYOXCERC-RDBSUJKOSA-N 0 0 377.535 3.372 20 30 GGEDRN COCCN(CCC#N)C(=O)CCc1nc2cc(Br)ccc2s1 ZINC000610387333 566828163 /nfs/dbraw/zinc/82/81/63/566828163.db2.gz CXIVHFQZRDYZGY-UHFFFAOYSA-N 0 0 396.310 3.380 20 30 GGEDRN Cc1ccc(OCC(=O)Nc2ccc(C#N)cc2)c(I)c1 ZINC000610395306 566828562 /nfs/dbraw/zinc/82/85/62/566828562.db2.gz JOCXRSIYXDXELV-UHFFFAOYSA-N 0 0 392.196 3.489 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2CCC(F)(F)C2)cc1Br ZINC000451496845 566828756 /nfs/dbraw/zinc/82/87/56/566828756.db2.gz KNLBCTGKMWZLJT-QMMMGPOBSA-N 0 0 397.216 3.174 20 30 GGEDRN C[C@@H](c1ccccc1Br)N(C)S(=O)(=O)c1cccnc1C#N ZINC000428269821 566829388 /nfs/dbraw/zinc/82/93/88/566829388.db2.gz LHTWTJSCHMHWBN-NSHDSACASA-N 0 0 380.267 3.097 20 30 GGEDRN Cc1ccc(OCC(=O)Nc2cccc(C#N)c2)c(I)c1 ZINC000610395519 566829666 /nfs/dbraw/zinc/82/96/66/566829666.db2.gz RBLJMYOKHFFFHD-UHFFFAOYSA-N 0 0 392.196 3.489 20 30 GGEDRN N#CCc1cccc(Br)c1OCC(=O)NCc1ccc(C#N)cc1 ZINC000582091182 566829695 /nfs/dbraw/zinc/82/96/95/566829695.db2.gz FCYARVQJAZMUBR-UHFFFAOYSA-N 0 0 384.233 3.082 20 30 GGEDRN C[C@@H](c1cccc(Br)c1)N1CC(=O)N(CC2(C#N)CCC2)C1=O ZINC000517542631 566830234 /nfs/dbraw/zinc/83/02/34/566830234.db2.gz SNIMUISWBMXEHN-LBPRGKRZSA-N 0 0 376.254 3.468 20 30 GGEDRN COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H](C#N)c2ccccc2Br)C1 ZINC000610428993 566831330 /nfs/dbraw/zinc/83/13/30/566831330.db2.gz GHZWWJSHJMZCIH-JMSVASOKSA-N 0 0 379.254 3.109 20 30 GGEDRN N#C[C@@H](NC(=O)c1cc(-c2ccccn2)no1)c1ccccc1Br ZINC000610429034 566831585 /nfs/dbraw/zinc/83/15/85/566831585.db2.gz LIMRGXCSCDYVTP-OAHLLOKOSA-N 0 0 383.205 3.494 20 30 GGEDRN COCCN(C(=O)c1cccc(C#N)c1Br)[C@H]1CCCSC1 ZINC000451515889 566832106 /nfs/dbraw/zinc/83/21/06/566832106.db2.gz FAWNIZOMNGGFAT-ZDUSSCGKSA-N 0 0 383.311 3.305 20 30 GGEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)CCc1scnc1C ZINC000451529700 566833055 /nfs/dbraw/zinc/83/30/55/566833055.db2.gz NSRPJAQBUBRQKE-UHFFFAOYSA-N 0 0 382.555 3.180 20 30 GGEDRN N#Cc1cccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1Br ZINC000451531319 566833243 /nfs/dbraw/zinc/83/32/43/566833243.db2.gz TYBTZJNZEXDBIY-MAUKXSAKSA-N 0 0 388.265 3.388 20 30 GGEDRN CC[C@H](Cc1ccccc1Br)NS(=O)(=O)c1cccnc1C#N ZINC000428373215 566833783 /nfs/dbraw/zinc/83/37/83/566833783.db2.gz KUXSIXKBGOUFEG-CYBMUJFWSA-N 0 0 394.294 3.015 20 30 GGEDRN C[C@H](C(=O)Nc1ccc(I)cc1)N1CCC(CC#N)CC1 ZINC000542880384 566834184 /nfs/dbraw/zinc/83/41/84/566834184.db2.gz COLGDPXYFMFMOI-GFCCVEGCSA-N 0 0 397.260 3.244 20 30 GGEDRN N#Cc1ccc(C(=O)CNC(=O)CCOc2ccccc2Br)cc1 ZINC000517601177 566834217 /nfs/dbraw/zinc/83/42/17/566834217.db2.gz WABWVXPXLHJLNY-UHFFFAOYSA-N 0 0 387.233 3.089 20 30 GGEDRN CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@H](C)C#N)CC1 ZINC000542878697 566834508 /nfs/dbraw/zinc/83/45/08/566834508.db2.gz VMCKYZFAASPPCS-RHSMWYFYSA-N 0 0 393.329 3.387 20 30 GGEDRN N#Cc1ncccc1S(=O)(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000428370625 566834880 /nfs/dbraw/zinc/83/48/80/566834880.db2.gz RKAGSGNLZNBVHP-GFCCVEGCSA-N 0 0 398.271 3.102 20 30 GGEDRN COC(=O)c1cc(NC(=O)c2ccc(C#N)cc2)cc(Br)c1F ZINC000469987985 566835384 /nfs/dbraw/zinc/83/53/84/566835384.db2.gz ZDCLOZCODSRYFW-UHFFFAOYSA-N 0 0 377.169 3.499 20 30 GGEDRN COCCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)CC(F)(F)F ZINC000490177694 566835656 /nfs/dbraw/zinc/83/56/56/566835656.db2.gz DCJSYOHEUKUGMO-UHFFFAOYSA-N 0 0 377.794 3.097 20 30 GGEDRN N#Cc1c(Br)cccc1OCC(=O)N1CCC2(CCOCC2)CC1 ZINC000451548762 566835626 /nfs/dbraw/zinc/83/56/26/566835626.db2.gz FQFRBHNHGCHPBE-UHFFFAOYSA-N 0 0 393.281 3.119 20 30 GGEDRN C[C@H](NS(=O)(=O)CC1(CC#N)CC1)c1ccc(Br)cc1F ZINC000451548947 566835747 /nfs/dbraw/zinc/83/57/47/566835747.db2.gz SHQIRTKKNXGMMS-JTQLQIEISA-N 0 0 375.263 3.262 20 30 GGEDRN N#Cc1ccc(OCC(=O)N2CCC3(CCOCC3)CC2)cc1Br ZINC000451548380 566835796 /nfs/dbraw/zinc/83/57/96/566835796.db2.gz FLXTURGPNXOWEH-UHFFFAOYSA-N 0 0 393.281 3.119 20 30 GGEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000610496459 566836193 /nfs/dbraw/zinc/83/61/93/566836193.db2.gz WQBMWAHXLAVTLT-UVBJJODRSA-N 0 0 380.275 3.406 20 30 GGEDRN N#Cc1ncccc1S(=O)(=O)N1CCCCc2cc(Br)ccc21 ZINC000428374895 566836225 /nfs/dbraw/zinc/83/62/25/566836225.db2.gz RPBHQFRGLPVXLY-UHFFFAOYSA-N 0 0 392.278 3.247 20 30 GGEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000610498043 566838412 /nfs/dbraw/zinc/83/84/12/566838412.db2.gz GFUBZDPTIUFLGU-BBRMVZONSA-N 0 0 377.282 3.306 20 30 GGEDRN CCc1nn(Cc2cc(Br)ccc2OC)c(=O)c(C#N)c1CC ZINC000517660084 566838452 /nfs/dbraw/zinc/83/84/52/566838452.db2.gz RONUXVIOJBPVMP-UHFFFAOYSA-N 0 0 376.254 3.059 20 30 GGEDRN N#CCc1ccc(S(=O)(=O)N2CC(COc3ccccc3)C2)c(Cl)c1 ZINC000451560556 566838472 /nfs/dbraw/zinc/83/84/72/566838472.db2.gz WDIHWTSBFOWLGD-UHFFFAOYSA-N 0 0 376.865 3.106 20 30 GGEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000610496764 566838563 /nfs/dbraw/zinc/83/85/63/566838563.db2.gz QMLMIKCNTCBFKF-KNXALSJPSA-N 0 0 380.275 3.406 20 30 GGEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000610498396 566838637 /nfs/dbraw/zinc/83/86/37/566838637.db2.gz YKQBEFMADDLODQ-BBRMVZONSA-N 0 0 380.897 3.235 20 30 GGEDRN CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000582186564 566839251 /nfs/dbraw/zinc/83/92/51/566839251.db2.gz GOMJCSCXNQQEOA-UHFFFAOYSA-N 0 0 380.495 3.034 20 30 GGEDRN Cc1cc(COc2ccc(C(=O)NC[C@H](C)C#N)cc2Br)no1 ZINC000517688089 566839210 /nfs/dbraw/zinc/83/92/10/566839210.db2.gz LUDLQCICVPBPOR-SNVBAGLBSA-N 0 0 378.226 3.214 20 30 GGEDRN N#Cc1ccc(-n2ccc(NC(=O)Cc3ccc(Br)cc3)n2)c(F)c1 ZINC000542928021 566839415 /nfs/dbraw/zinc/83/94/15/566839415.db2.gz LOINITWHTDUJFK-UHFFFAOYSA-N 0 0 399.223 3.249 20 30 GGEDRN COCC1(C#N)CCN(C(=O)c2cc3c(Br)cccc3cn2)CC1 ZINC000451564143 566839420 /nfs/dbraw/zinc/83/94/20/566839420.db2.gz LMZVZDYTALSDSP-UHFFFAOYSA-N 0 0 388.265 3.390 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451568180 566839898 /nfs/dbraw/zinc/83/98/98/566839898.db2.gz MQSZHTHMUNLNBC-GDBMZVCRSA-N 0 0 378.314 3.247 20 30 GGEDRN N#Cc1ccc(-n2ccc(NC(=O)c3cc(Br)cs3)n2)c(F)c1 ZINC000542930833 566839978 /nfs/dbraw/zinc/83/99/78/566839978.db2.gz UTHZVQPKGFVKSL-UHFFFAOYSA-N 0 0 391.225 3.381 20 30 GGEDRN C=CCn1c(-c2cc(Br)cn2C)nnc1N(CC)C[C@H]1CCCO1 ZINC000582210029 566840956 /nfs/dbraw/zinc/84/09/56/566840956.db2.gz UDVZAHMQGFYBQT-CQSZACIVSA-N 0 0 394.317 3.237 20 30 GGEDRN CCOCCOc1ccc(Br)cc1NC(=O)c1ccc(C#N)[nH]1 ZINC000490278911 566841031 /nfs/dbraw/zinc/84/10/31/566841031.db2.gz XXAHMFBPAXFXHA-UHFFFAOYSA-N 0 0 378.226 3.316 20 30 GGEDRN CCC1CCC(N(CCO)S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000451571687 566841242 /nfs/dbraw/zinc/84/12/42/566841242.db2.gz WMCXPVKRZBGBPV-UHFFFAOYSA-N 0 0 384.929 3.358 20 30 GGEDRN CSCC[C@@H](C)N(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000542961164 566841748 /nfs/dbraw/zinc/84/17/48/566841748.db2.gz ILJCXYDNXRTOBZ-GFCCVEGCSA-N 0 0 377.901 3.425 20 30 GGEDRN Cc1cccc(S(=O)(=O)N2CCC(c3ncccc3Cl)CC2)c1C#N ZINC000428409706 566842081 /nfs/dbraw/zinc/84/20/81/566842081.db2.gz CNQJXHSBAMNPSW-UHFFFAOYSA-N 0 0 375.881 3.483 20 30 GGEDRN COCCN(CCC#N)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000610558986 566843078 /nfs/dbraw/zinc/84/30/78/566843078.db2.gz FAGXWHAFIZMQEF-UHFFFAOYSA-N 0 0 392.257 3.029 20 30 GGEDRN COCCN(CCC#N)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000610558447 566843234 /nfs/dbraw/zinc/84/32/34/566843234.db2.gz DKVFKGYVZUMSGD-UHFFFAOYSA-N 0 0 382.917 3.287 20 30 GGEDRN COC(=O)c1ccc(N2CC[C@@H](c3cccc(Br)c3)C2)c(C#N)n1 ZINC000582251922 566844846 /nfs/dbraw/zinc/84/48/46/566844846.db2.gz NVKVRKUJHLUZQU-CYBMUJFWSA-N 0 0 386.249 3.496 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(Br)c3cc(C)oc32)C1=O ZINC000517750702 566844976 /nfs/dbraw/zinc/84/49/76/566844976.db2.gz IUUNTKFHLUCLDT-OAHLLOKOSA-N 0 0 391.265 3.363 20 30 GGEDRN CN(Cc1ccc(Br)o1)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000490384816 566845073 /nfs/dbraw/zinc/84/50/73/566845073.db2.gz ZMUZBPQJYFAJGY-UHFFFAOYSA-N 0 0 396.628 3.164 20 30 GGEDRN CCOc1ccc(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)nc1 ZINC000610585224 566845147 /nfs/dbraw/zinc/84/51/47/566845147.db2.gz KQIMGLNYSXAZCN-UHFFFAOYSA-N 0 0 384.233 3.478 20 30 GGEDRN COC(=O)c1cc(N[C@H]2CCN(c3sccc3C#N)C2=O)ccc1Cl ZINC000610577105 566845288 /nfs/dbraw/zinc/84/52/88/566845288.db2.gz FJFMXSPZFHDZSX-AWEZNQCLSA-N 0 0 375.837 3.277 20 30 GGEDRN O=S(=O)(C[C@H]1CCC1(F)F)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000632053112 566845389 /nfs/dbraw/zinc/84/53/89/566845389.db2.gz KWWMLMCLIJGRBU-PRJMDXOYSA-N 0 0 375.281 3.034 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000610589588 566845350 /nfs/dbraw/zinc/84/53/50/566845350.db2.gz FGXCMTWHOHWGPZ-QWRGUYRKSA-N 0 0 386.317 3.228 20 30 GGEDRN N#CCC1(CS(=O)(=O)NCCc2ccc(Br)cc2Cl)CC1 ZINC000451587952 566845452 /nfs/dbraw/zinc/84/54/52/566845452.db2.gz IHRVOPFRTZJWTB-UHFFFAOYSA-N 0 0 391.718 3.258 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)c2ccc(Br)c3cc(C)oc32)C1=O ZINC000517750701 566845709 /nfs/dbraw/zinc/84/57/09/566845709.db2.gz IUUNTKFHLUCLDT-HNNXBMFYSA-N 0 0 391.265 3.363 20 30 GGEDRN N#CCC1(CS(=O)(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000451584775 566845720 /nfs/dbraw/zinc/84/57/20/566845720.db2.gz URTUSLQFANGQNV-OAHLLOKOSA-N 0 0 397.338 3.337 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000610589632 566845848 /nfs/dbraw/zinc/84/58/48/566845848.db2.gz LUZGINOXULIROC-QWRGUYRKSA-N 0 0 386.317 3.228 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCc2csc(Br)c2)c(Cl)c1 ZINC000490386799 566846188 /nfs/dbraw/zinc/84/61/88/566846188.db2.gz UZOUVTXDHINAAI-UHFFFAOYSA-N 0 0 398.669 3.291 20 30 GGEDRN COc1ccc(C[C@H](CO)CNc2ccc(Br)cc2C#N)cc1O ZINC000543048225 566846506 /nfs/dbraw/zinc/84/65/06/566846506.db2.gz CXBNKTQTNCCFKI-ZDUSSCGKSA-N 0 0 391.265 3.298 20 30 GGEDRN CCS(=O)(=O)N1CCC(CNc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000543033092 566847036 /nfs/dbraw/zinc/84/70/36/566847036.db2.gz YXAGAXKJVNWKNN-UHFFFAOYSA-N 0 0 375.416 3.051 20 30 GGEDRN C=CCCO[C@@H](C)C(=O)Nc1cc(NS(=O)(=O)CCC)c(F)cc1F ZINC000517807218 566849108 /nfs/dbraw/zinc/84/91/08/566849108.db2.gz VONLKCXZOUXNMG-NSHDSACASA-N 0 0 376.425 3.036 20 30 GGEDRN N#Cc1ccncc1N1CCN(CCCc2ccccc2Br)CC1 ZINC000517817366 566849405 /nfs/dbraw/zinc/84/94/05/566849405.db2.gz POIITKABKCOOJA-UHFFFAOYSA-N 0 0 385.309 3.471 20 30 GGEDRN C[C@]1(CNC(=O)COc2ccc(C#N)c(Br)c2)CCO[C@H]1C1CC1 ZINC000517855282 566850330 /nfs/dbraw/zinc/85/03/30/566850330.db2.gz GWVKVKUOEHRXRB-ZWKOTPCHSA-N 0 0 393.281 3.021 20 30 GGEDRN COc1ccccc1N(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000610657242 566850862 /nfs/dbraw/zinc/85/08/62/566850862.db2.gz HDZFOZDBTFDYBH-UHFFFAOYSA-N 0 0 381.251 3.154 20 30 GGEDRN C[C@]1(CNC(=O)COc2ccc(C#N)c(Br)c2)CCO[C@@H]1C1CC1 ZINC000517855278 566851202 /nfs/dbraw/zinc/85/12/02/566851202.db2.gz GWVKVKUOEHRXRB-QZTJIDSGSA-N 0 0 393.281 3.021 20 30 GGEDRN N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H](c3ccco3)C2)c1 ZINC000610657846 566851868 /nfs/dbraw/zinc/85/18/68/566851868.db2.gz KLEQLFXSFVRNOG-LBPRGKRZSA-N 0 0 381.251 3.092 20 30 GGEDRN C[C@](C#N)(NC(=O)CN1CCC[C@H]1c1ccccc1Br)C1CC1 ZINC000610676293 566852451 /nfs/dbraw/zinc/85/24/51/566852451.db2.gz TVQXWZHANCSHAN-FUHWJXTLSA-N 0 0 376.298 3.394 20 30 GGEDRN N#CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccccc2Br)CC1 ZINC000610665815 566852617 /nfs/dbraw/zinc/85/26/17/566852617.db2.gz HSQREVXROHXOBV-QGZVFWFLSA-N 0 0 391.313 3.284 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000582343821 566853057 /nfs/dbraw/zinc/85/30/57/566853057.db2.gz MPGXATMAWUPTDP-TUAOUCFPSA-N 0 0 375.416 3.394 20 30 GGEDRN CCc1noc(CC)c1CC(=O)N[C@H](C#N)c1ccccc1Br ZINC000610668353 566853055 /nfs/dbraw/zinc/85/30/55/566853055.db2.gz SNMWJWQCPRICGN-OAHLLOKOSA-N 0 0 376.254 3.485 20 30 GGEDRN CN(Cc1cc(F)ccc1Br)S(=O)(=O)c1cccc(C#N)c1 ZINC000517923639 566853842 /nfs/dbraw/zinc/85/38/42/566853842.db2.gz HJODTTOWJLTGAN-UHFFFAOYSA-N 0 0 383.242 3.281 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCc2ccc(Br)cc2)c(Cl)c1 ZINC000490452343 566854029 /nfs/dbraw/zinc/85/40/29/566854029.db2.gz JJSYPBUFTHYVAD-UHFFFAOYSA-N 0 0 392.640 3.229 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610701219 566854284 /nfs/dbraw/zinc/85/42/84/566854284.db2.gz CHSYGNZUAZJTAL-NXEZZACHSA-N 0 0 390.280 3.059 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cnc(C3CC3)s2)cc1 ZINC000517928109 566854543 /nfs/dbraw/zinc/85/45/43/566854543.db2.gz JINRQKGWXTYWNJ-UHFFFAOYSA-N 0 0 377.491 3.079 20 30 GGEDRN CC(C)(NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000490465194 566855077 /nfs/dbraw/zinc/85/50/77/566855077.db2.gz SOJCGGUCCNZYAP-UHFFFAOYSA-N 0 0 379.825 3.333 20 30 GGEDRN CC(C)(NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1[N+](=O)[O-] ZINC000490471228 566855107 /nfs/dbraw/zinc/85/51/07/566855107.db2.gz RHKCHTUMPZYISO-UHFFFAOYSA-N 0 0 379.825 3.333 20 30 GGEDRN C=CCn1c(SCc2cncc(Br)c2)nnc1-c1cnccn1 ZINC000543144192 566855281 /nfs/dbraw/zinc/85/52/81/566855281.db2.gz JYYLLMCLLSOZAH-UHFFFAOYSA-N 0 0 389.282 3.371 20 30 GGEDRN COc1cc(Cl)ccc1CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000490465155 566855266 /nfs/dbraw/zinc/85/52/66/566855266.db2.gz RZDDNLPTAXOVEJ-UHFFFAOYSA-N 0 0 378.215 3.129 20 30 GGEDRN CC[C@H](Cc1ccccc1Br)C(=O)NC1CCN(CC#N)CC1 ZINC000610706677 566855750 /nfs/dbraw/zinc/85/57/50/566855750.db2.gz RCOPOZMZYJNQNG-CQSZACIVSA-N 0 0 378.314 3.122 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1Br)c1cccc(C#N)c1 ZINC000610710438 566856000 /nfs/dbraw/zinc/85/60/00/566856000.db2.gz FOLLXVVFJMOKIL-SNVBAGLBSA-N 0 0 390.212 3.276 20 30 GGEDRN C=CCn1c(-c2cnn(C)c2)nnc1N1CCc2cc(Br)ccc2C1 ZINC000582388777 566856708 /nfs/dbraw/zinc/85/67/08/566856708.db2.gz BSWXDBAFYQBEDP-UHFFFAOYSA-N 0 0 399.296 3.190 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)CSCc3cscn3)CC2)c(Cl)c1 ZINC000470208332 566857074 /nfs/dbraw/zinc/85/70/74/566857074.db2.gz HEHCGXRRCUKJDY-UHFFFAOYSA-N 0 0 392.937 3.250 20 30 GGEDRN N#Cc1cccc(OCCn2cnc3cc(F)c(Br)cc3c2=O)c1 ZINC000543147550 566857300 /nfs/dbraw/zinc/85/73/00/566857300.db2.gz VZFHXWFOTORRMO-UHFFFAOYSA-N 0 0 388.196 3.249 20 30 GGEDRN N#C[C@@H](NC(=O)c1cnn(-c2cccnc2)c1)c1ccccc1Br ZINC000610739293 566857440 /nfs/dbraw/zinc/85/74/40/566857440.db2.gz FFVJMHFANYUMBT-MRXNPFEDSA-N 0 0 382.221 3.024 20 30 GGEDRN N#Cc1ccc(NC(=O)CN2CCc3c(F)cc(Br)cc3C2)cc1 ZINC000610729054 566858285 /nfs/dbraw/zinc/85/82/85/566858285.db2.gz FSCWCOAFBSLPAA-UHFFFAOYSA-N 0 0 388.240 3.457 20 30 GGEDRN N#CC1(NC(=O)CN2CCc3c(F)cc(Br)cc3C2)CCCCC1 ZINC000610729169 566858419 /nfs/dbraw/zinc/85/84/19/566858419.db2.gz WATXMKKMPGJHGQ-UHFFFAOYSA-N 0 0 394.288 3.289 20 30 GGEDRN N#C[C@H]1N(S(=O)(=O)c2ccc(C(F)(F)F)s2)CCC[C@]12CCCCO2 ZINC000582393776 566858464 /nfs/dbraw/zinc/85/84/64/566858464.db2.gz HVGMAKBNHIXXSU-BXUZGUMPSA-N 0 0 394.440 3.383 20 30 GGEDRN N#Cc1cc(F)c(N2CCN(Cc3ccccn3)CC2)cc1Br ZINC000518004544 566859072 /nfs/dbraw/zinc/85/90/72/566859072.db2.gz XFBVSNFHCVSCKZ-UHFFFAOYSA-N 0 0 375.245 3.177 20 30 GGEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CCCc2cccc(Br)c2)CC1 ZINC000610755821 566859405 /nfs/dbraw/zinc/85/94/05/566859405.db2.gz GPAYJWVVFWLEGM-SFHVURJKSA-N 0 0 392.341 3.464 20 30 GGEDRN N#CCN1CCC(CNC(=O)CCCc2cccc(Br)c2)CC1 ZINC000610759898 566860656 /nfs/dbraw/zinc/86/06/56/566860656.db2.gz OBFJZJJIWUZRMT-UHFFFAOYSA-N 0 0 378.314 3.124 20 30 GGEDRN N#Cc1ccc(OCC(=O)N2CCCC[C@@H]2c2cc[nH]n2)cc1Br ZINC000451681875 566862242 /nfs/dbraw/zinc/86/22/42/566862242.db2.gz PHITUGOSEUWVMN-MRXNPFEDSA-N 0 0 389.253 3.176 20 30 GGEDRN CCCC(C#N)(CCC)NC(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC000610777612 566862380 /nfs/dbraw/zinc/86/23/80/566862380.db2.gz UZAPNDFENZMSSF-UHFFFAOYSA-N 0 0 376.931 3.295 20 30 GGEDRN C=C(C)COCCNC(=O)Nc1cc(C(=O)OC)c(F)cc1Br ZINC000610773315 566862895 /nfs/dbraw/zinc/86/28/95/566862895.db2.gz JZQSNPUYUAFXBQ-UHFFFAOYSA-N 0 0 389.221 3.089 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCCS1 ZINC000543214967 566863867 /nfs/dbraw/zinc/86/38/67/566863867.db2.gz MTMXNWDEWNRFLZ-KBPBESRZSA-N 0 0 377.535 3.279 20 30 GGEDRN CCCc1nc(C)c(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)o1 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N#Cc1cc([N+](=O)[O-])ccc1NC[C@H](CO)Cc1cccc(Br)c1 ZINC000428671609 566867961 /nfs/dbraw/zinc/86/79/61/566867961.db2.gz VKDSRCTZCNYQHN-CYBMUJFWSA-N 0 0 390.237 3.492 20 30 GGEDRN Cc1sc2nc(CS[C@H](C)C(=O)N[C@H](C#N)C(C)C)[nH]c(=O)c2c1C ZINC000470357447 566868098 /nfs/dbraw/zinc/86/80/98/566868098.db2.gz ZJVNMDLRXNYJMH-VXGBXAGGSA-N 0 0 378.523 3.300 20 30 GGEDRN COc1ccc(Br)c(CN(C)c2nccc(C#N)c2[N+](=O)[O-])c1 ZINC000428683998 566869316 /nfs/dbraw/zinc/86/93/16/566869316.db2.gz VAEFEZRFQDITEI-UHFFFAOYSA-N 0 0 377.198 3.269 20 30 GGEDRN N#Cc1ccc(NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)cc1 ZINC000428682192 566869889 /nfs/dbraw/zinc/86/98/89/566869889.db2.gz ISAZJIPOHXIBKL-HNNXBMFYSA-N 0 0 388.265 3.293 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N2CCSC3(CCCCC3)C2)c(Cl)c1 ZINC000610870372 566870480 /nfs/dbraw/zinc/87/04/80/566870480.db2.gz KSXYGUKDJWPKPD-UHFFFAOYSA-N 0 0 377.897 3.428 20 30 GGEDRN C=CCC(CC=C)C(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000470425860 566870646 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Cc1cc(I)cc(NC(=O)COc2ccccc2C#N)c1 ZINC000518231836 566871998 /nfs/dbraw/zinc/87/19/98/566871998.db2.gz MGDCFMOVQTZDJW-UHFFFAOYSA-N 0 0 392.196 3.489 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2COc2ccccc2)c(Cl)c1 ZINC000451737125 566872925 /nfs/dbraw/zinc/87/29/25/566872925.db2.gz UQXSMCQRBZPAGH-HNNXBMFYSA-N 0 0 376.865 3.444 20 30 GGEDRN CC(C)Oc1ccc(Br)cc1NC(=O)NC1CCN(CC#N)CC1 ZINC000610923299 566874633 /nfs/dbraw/zinc/87/46/33/566874633.db2.gz YAXCQUMCLKBXDL-UHFFFAOYSA-N 0 0 395.301 3.346 20 30 GGEDRN N#Cc1ccc(NCC(=O)N2CCc3sc(Br)cc3C2)cc1 ZINC000610938069 566875997 /nfs/dbraw/zinc/87/59/97/566875997.db2.gz MKKDBFGXVQXUCM-UHFFFAOYSA-N 0 0 376.279 3.379 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)Nc1cc(OC)cc(S(C)(=O)=O)c1 ZINC000490685392 566875991 /nfs/dbraw/zinc/87/59/91/566875991.db2.gz QQLRCQZQDDXEQX-UHFFFAOYSA-N 0 0 380.491 3.380 20 30 GGEDRN C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)C[C@@H]1CCCC(F)(F)C1 ZINC000632331208 566875856 /nfs/dbraw/zinc/87/58/56/566875856.db2.gz HVSYBTHUONKHGF-CQSZACIVSA-N 0 0 377.453 3.305 20 30 GGEDRN CC#CCCNC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000582573188 566876119 /nfs/dbraw/zinc/87/61/19/566876119.db2.gz ILCQUIRVGGIJGC-UHFFFAOYSA-N 0 0 375.519 3.039 20 30 GGEDRN N#Cc1c(F)cccc1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000470456470 566876212 /nfs/dbraw/zinc/87/62/12/566876212.db2.gz PXVPNYMWBXEKES-ZDUSSCGKSA-N 0 0 388.240 3.469 20 30 GGEDRN CSCc1noc(CCC(=O)N[C@H](C#N)c2ccccc2Br)n1 ZINC000610964181 566877325 /nfs/dbraw/zinc/87/73/25/566877325.db2.gz STIAKEAAKQQEQX-GFCCVEGCSA-N 0 0 395.282 3.009 20 30 GGEDRN COc1ccc(Br)c(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428779400 566877739 /nfs/dbraw/zinc/87/77/39/566877739.db2.gz FJAYNSILSDZMDY-INIZCTEOSA-N 0 0 388.265 3.378 20 30 GGEDRN N#Cc1ccccc1S(=O)(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000563346177 566878282 /nfs/dbraw/zinc/87/82/82/566878282.db2.gz HSXZOBOJUKOEOL-UHFFFAOYSA-N 0 0 395.253 3.207 20 30 GGEDRN CC1(C)CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000490791736 566879135 /nfs/dbraw/zinc/87/91/35/566879135.db2.gz IVCKTFCYIHGRPN-LBPRGKRZSA-N 0 0 378.270 3.202 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000543400977 566879469 /nfs/dbraw/zinc/87/94/69/566879469.db2.gz QURMKFXAYPPVDE-AWEZNQCLSA-N 0 0 387.933 3.052 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)CCOCC(F)(F)F ZINC000518352988 566879653 /nfs/dbraw/zinc/87/96/53/566879653.db2.gz IJIGYKMZJBYNMJ-UHFFFAOYSA-N 0 0 377.837 3.298 20 30 GGEDRN CCOCCOc1ccc(Br)cc1NC(=O)c1cnccc1C#N ZINC000582629172 566880160 /nfs/dbraw/zinc/88/01/60/566880160.db2.gz DEXKCKVPTQKRNF-UHFFFAOYSA-N 0 0 390.237 3.383 20 30 GGEDRN Cc1c(I)cn(CCCc2cccc(F)c2)c(=O)c1C#N ZINC000582635372 566880236 /nfs/dbraw/zinc/88/02/36/566880236.db2.gz OXPFSSQAZBEDRB-UHFFFAOYSA-N 0 0 396.203 3.405 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC(c3cccc(N)c3)CC2)c(Cl)c1 ZINC000582617197 566880664 /nfs/dbraw/zinc/88/06/64/566880664.db2.gz MZXJRXKFDLPUGX-UHFFFAOYSA-N 0 0 375.881 3.362 20 30 GGEDRN N#Cc1ccnc(Oc2cccc(F)c2I)c1[N+](=O)[O-] ZINC000611001706 566881021 /nfs/dbraw/zinc/88/10/21/566881021.db2.gz DTPUAQFMMGLRCM-UHFFFAOYSA-N 0 0 385.092 3.397 20 30 GGEDRN Cc1nc(NC(=O)c2ccc(F)c(C#N)c2)ccc1I ZINC000518408940 566881387 /nfs/dbraw/zinc/88/13/87/566881387.db2.gz YYYISFASNCKLIU-UHFFFAOYSA-N 0 0 381.148 3.258 20 30 GGEDRN Cc1cccc(S(=O)(=O)N2CCc3sc(Br)cc3C2)c1C#N ZINC000611003050 566882392 /nfs/dbraw/zinc/88/23/92/566882392.db2.gz DZVWKHWESRQHDN-UHFFFAOYSA-N 0 0 397.319 3.438 20 30 GGEDRN N#Cc1ccc(O[C@@H]2CCN(Cc3cc(C#N)ccc3Br)C2)nc1 ZINC000428819777 566882751 /nfs/dbraw/zinc/88/27/51/566882751.db2.gz QSCMXCZQVYSTOB-MRXNPFEDSA-N 0 0 383.249 3.241 20 30 GGEDRN COc1cccc2c1OCC[C@H]2NS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000611016788 566883587 /nfs/dbraw/zinc/88/35/87/566883587.db2.gz UGZATKLZFWKIIE-CQSZACIVSA-N 0 0 378.837 3.022 20 30 GGEDRN COc1ccc2c(c1)OCC[C@H]2NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000611025029 566883622 /nfs/dbraw/zinc/88/36/22/566883622.db2.gz ZODZBIOGWQKLLM-OAHLLOKOSA-N 0 0 378.837 3.022 20 30 GGEDRN COc1cccc2c1OCC[C@@H]2NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000611016717 566883978 /nfs/dbraw/zinc/88/39/78/566883978.db2.gz AZIYWSONSZGAJQ-AWEZNQCLSA-N 0 0 378.837 3.022 20 30 GGEDRN COC(=O)c1ccccc1CC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000543451686 566883929 /nfs/dbraw/zinc/88/39/29/566883929.db2.gz TVIQFYDUXYQBBC-INIZCTEOSA-N 0 0 387.233 3.159 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000611016932 566884164 /nfs/dbraw/zinc/88/41/64/566884164.db2.gz FRDPQQWRCRZYKV-CABCVRRESA-N 0 0 395.253 3.294 20 30 GGEDRN CCC[C@H](C#N)NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000611028971 566884249 /nfs/dbraw/zinc/88/42/49/566884249.db2.gz PDOWJNHGXWQDOJ-GFCCVEGCSA-N 0 0 382.379 3.074 20 30 GGEDRN N#CCN1CCC(NC(=O)N(Cc2csc(Br)c2)C2CC2)CC1 ZINC000611065962 566885228 /nfs/dbraw/zinc/88/52/28/566885228.db2.gz JKNBHTMUQYUXSU-UHFFFAOYSA-N 0 0 397.342 3.173 20 30 GGEDRN COc1cccc(C(=O)Nc2ccc(C#N)c(Br)c2)c1[N+](=O)[O-] ZINC000582690156 566885984 /nfs/dbraw/zinc/88/59/84/566885984.db2.gz UHXZHVCSJXKLCU-UHFFFAOYSA-N 0 0 376.166 3.490 20 30 GGEDRN Cn1c2cc(C(=O)N[C@H](C#N)c3ccccc3Br)ccc2[nH]c1=O ZINC000611031948 566885923 /nfs/dbraw/zinc/88/59/23/566885923.db2.gz KXYNLBABPOUXAO-CQSZACIVSA-N 0 0 385.221 3.036 20 30 GGEDRN C=CCN(CCC#N)[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000428875320 566886732 /nfs/dbraw/zinc/88/67/32/566886732.db2.gz TVNVNWWEAQIULD-GFCCVEGCSA-N 0 0 383.233 3.020 20 30 GGEDRN C[C@@H](Cc1ccccc1Br)NS(=O)(=O)c1cccc(C#N)c1 ZINC000470611719 566887700 /nfs/dbraw/zinc/88/77/00/566887700.db2.gz IQBAJAPCVAGNBB-LBPRGKRZSA-N 0 0 379.279 3.230 20 30 GGEDRN CSCC[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000518508022 566887990 /nfs/dbraw/zinc/88/79/90/566887990.db2.gz QDWLKQBGZOJLEJ-KRWDZBQOSA-N 0 0 394.543 3.346 20 30 GGEDRN C=CCN(Cc1cn(-c2ccccc2Cl)nc1C)[C@H]1CCS(=O)(=O)C1 ZINC000656250373 566888440 /nfs/dbraw/zinc/88/84/40/566888440.db2.gz OWUKSHWICHRGBW-INIZCTEOSA-N 0 0 379.913 3.009 20 30 GGEDRN C[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)C(=O)NCc1ccccc1 ZINC000611097185 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C=CCC[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)c1ccccc1 ZINC000544349808 566956132 /nfs/dbraw/zinc/95/61/32/566956132.db2.gz QZGNMPKJPPFPEU-QGZVFWFLSA-N 0 0 378.881 3.425 20 30 GGEDRN Cc1c(S(=O)(=O)N2CCC[C@](C)(C#N)C2)cnn1-c1ccc(Cl)cc1 ZINC000612152674 566956622 /nfs/dbraw/zinc/95/66/22/566956622.db2.gz CMNIRNGCXDQUAY-QGZVFWFLSA-N 0 0 378.885 3.149 20 30 GGEDRN CC#CCN(C)C(=O)c1ccc(I)c(Br)c1 ZINC000564243664 566957177 /nfs/dbraw/zinc/95/71/77/566957177.db2.gz DMJUUGKCWJHDAK-UHFFFAOYSA-N 0 0 392.034 3.149 20 30 GGEDRN COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC[C@](C)(C#N)C1 ZINC000612154743 566957640 /nfs/dbraw/zinc/95/76/40/566957640.db2.gz FEMCIJPQBKYOFC-OAHLLOKOSA-N 0 0 387.299 3.081 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1Br ZINC000544372321 566957638 /nfs/dbraw/zinc/95/76/38/566957638.db2.gz XVSDBOSQVRUMAO-HZMBPMFUSA-N 0 0 394.718 3.362 20 30 GGEDRN Cc1cc(I)ccc1NC(=O)CN1CCC[C@@](C)(C#N)C1 ZINC000612162682 566957693 /nfs/dbraw/zinc/95/76/93/566957693.db2.gz QJLJRFUZLLSMFU-INIZCTEOSA-N 0 0 397.260 3.164 20 30 GGEDRN C[C@]1(C#N)CCCN(C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000612166859 566957808 /nfs/dbraw/zinc/95/78/08/566957808.db2.gz FTOIRAKSOKUEIC-CZUORRHYSA-N 0 0 387.705 3.468 20 30 GGEDRN C=CCOc1cccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)c1 ZINC000519673239 566958313 /nfs/dbraw/zinc/95/83/13/566958313.db2.gz LOCUCUNXHBYELS-UHFFFAOYSA-N 0 0 381.837 3.492 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCCc3occc32)cc1Br ZINC000564244396 566958430 /nfs/dbraw/zinc/95/84/30/566958430.db2.gz JGMGFJBNNVHMOX-CYBMUJFWSA-N 0 0 399.241 3.409 20 30 GGEDRN C=CCOc1ccc(Br)cc1NC(=O)c1cnn(CCOC)c1 ZINC000633411633 566959016 /nfs/dbraw/zinc/95/90/16/566959016.db2.gz XBRYEFVFNDAZHL-UHFFFAOYSA-N 0 0 380.242 3.109 20 30 GGEDRN COc1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)cc1I ZINC000612233958 566959600 /nfs/dbraw/zinc/95/96/00/566959600.db2.gz XCHPLFIMCAKCJL-HNNXBMFYSA-N 0 0 384.217 3.066 20 30 GGEDRN C[C@@]1(C#N)CCCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)C1 ZINC000612251454 566959669 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N#Cc1ccccc1CS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429871825 566961533 /nfs/dbraw/zinc/96/15/33/566961533.db2.gz MKQGCXAUMPXUFB-UHFFFAOYSA-N 0 0 381.207 3.203 20 30 GGEDRN Cc1cccc(F)c1S(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000681257219 566962313 /nfs/dbraw/zinc/96/23/13/566962313.db2.gz SOZQRAAHBMUYDQ-RKDXNWHRSA-N 0 0 379.297 3.495 20 30 GGEDRN Cc1cccc(F)c1S(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000681257218 566962512 /nfs/dbraw/zinc/96/25/12/566962512.db2.gz SOZQRAAHBMUYDQ-IUCAKERBSA-N 0 0 379.297 3.495 20 30 GGEDRN COc1ccc(I)c(NC(=O)N2CCC[C@@](C)(C#N)C2)c1 ZINC000612303443 566962879 /nfs/dbraw/zinc/96/28/79/566962879.db2.gz OQGGXAOUKKRXAT-HNNXBMFYSA-N 0 0 399.232 3.457 20 30 GGEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CCc2cc(F)ccc2Br)CC1 ZINC000612282327 566963806 /nfs/dbraw/zinc/96/38/06/566963806.db2.gz IEOWQTLBJJJSCI-QGZVFWFLSA-N 0 0 396.304 3.213 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC(F)(F)C2)cc1Br ZINC000429907120 566966282 /nfs/dbraw/zinc/96/62/82/566966282.db2.gz BHMNMPAYENQMLL-VIFPVBQESA-N 0 0 379.226 3.034 20 30 GGEDRN CC(C)c1nnc(CCNC(=O)c2ccc(Br)cc2C#N)s1 ZINC000452347154 566966705 /nfs/dbraw/zinc/96/67/05/566966705.db2.gz SLBBMNZMYRCQHZ-UHFFFAOYSA-N 0 0 379.283 3.268 20 30 GGEDRN CN(CCOc1ccc(Br)cc1)c1nccc(C#N)c1[N+](=O)[O-] ZINC000471637894 566968117 /nfs/dbraw/zinc/96/81/17/566968117.db2.gz GGOAIBTUPJJZJE-UHFFFAOYSA-N 0 0 377.198 3.139 20 30 GGEDRN C[C@@]1(C#N)CCCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000612368162 566968472 /nfs/dbraw/zinc/96/84/72/566968472.db2.gz AOGWYFWCMJBBKY-AWEZNQCLSA-N 0 0 390.171 3.335 20 30 GGEDRN C[C@@]1(C#N)CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000612365784 566968498 /nfs/dbraw/zinc/96/84/98/566968498.db2.gz LRZNAJWHFUQAEC-UGSOOPFHSA-N 0 0 380.275 3.499 20 30 GGEDRN C[C@@]1(C#N)CCCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000612365781 566968592 /nfs/dbraw/zinc/96/85/92/566968592.db2.gz LRZNAJWHFUQAEC-ACJLOTCBSA-N 0 0 380.275 3.499 20 30 GGEDRN C[C@]1(C#N)CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000612365783 566968960 /nfs/dbraw/zinc/96/89/60/566968960.db2.gz LRZNAJWHFUQAEC-SCLBCKFNSA-N 0 0 380.275 3.499 20 30 GGEDRN N#CCCN(Cc1ccco1)C(=O)N=c1cc2ccc(Br)cn2[nH]1 ZINC000429951089 566969177 /nfs/dbraw/zinc/96/91/77/566969177.db2.gz UTYDOYBVNNRUJT-UHFFFAOYSA-N 0 0 388.225 3.059 20 30 GGEDRN C=CCCOCCNS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471658089 566969181 /nfs/dbraw/zinc/96/91/81/566969181.db2.gz KCHWMBAIFABKMD-UHFFFAOYSA-N 0 0 386.670 3.113 20 30 GGEDRN C[C@@]1(C#N)CCCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000612368603 566969284 /nfs/dbraw/zinc/96/92/84/566969284.db2.gz CLTPAYCNZVUBLJ-GAJHUEQPSA-N 0 0 397.338 3.489 20 30 GGEDRN N#Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1Br ZINC000564371528 566969568 /nfs/dbraw/zinc/96/95/68/566969568.db2.gz PCUITQZGQQFVMP-UHFFFAOYSA-N 0 0 376.166 3.246 20 30 GGEDRN Cc1ccc(Br)cc1NC(=O)CNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612361886 566969476 /nfs/dbraw/zinc/96/94/76/566969476.db2.gz 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ZINC000452388488 566972582 /nfs/dbraw/zinc/97/25/82/566972582.db2.gz ZHUNHSVMDQNVGX-UHFFFAOYSA-N 0 0 388.265 3.189 20 30 GGEDRN Cc1nsc(N2CCN(CCOc3ccc(F)cc3Cl)CC2)c1C#N ZINC000564397514 566973112 /nfs/dbraw/zinc/97/31/12/566973112.db2.gz NGVBBBMBPPFGMJ-UHFFFAOYSA-N 0 0 380.876 3.317 20 30 GGEDRN N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@@]2(CCSC2)C1 ZINC000583677659 566973320 /nfs/dbraw/zinc/97/33/20/566973320.db2.gz KWFJBZGCZWHVFU-QGZVFWFLSA-N 0 0 395.322 3.445 20 30 GGEDRN C=CC[C@@H](CO)NC(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000544607508 566973181 /nfs/dbraw/zinc/97/31/81/566973181.db2.gz ABOYEOINLBBVPF-DLBZAZTESA-N 0 0 381.314 3.397 20 30 GGEDRN N#Cc1cc(F)c(N2CCN(Cc3cccnc3)CC2)cc1Br ZINC000519842186 566973639 /nfs/dbraw/zinc/97/36/39/566973639.db2.gz FVQWYWYUISGGSA-UHFFFAOYSA-N 0 0 375.245 3.177 20 30 GGEDRN C[C@@H](c1nc(CCCc2ccccc2Br)no1)n1cnc(C#N)n1 ZINC000519848846 566974424 /nfs/dbraw/zinc/97/44/24/566974424.db2.gz HPYIEARLORFQBL-NSHDSACASA-N 0 0 387.241 3.080 20 30 GGEDRN C[C@H](Cc1ccsc1)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000519864052 566975522 /nfs/dbraw/zinc/97/55/22/566975522.db2.gz DAKLLYLSGOUHTK-SNVBAGLBSA-N 0 0 385.308 3.292 20 30 GGEDRN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cc(F)c(Br)cc1OCC ZINC000583723810 566975676 /nfs/dbraw/zinc/97/56/76/566975676.db2.gz JCSPEKAZLXHMJR-SNVBAGLBSA-N 0 0 387.249 3.396 20 30 GGEDRN CN(CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Br)c(F)c1 ZINC000494243147 566976151 /nfs/dbraw/zinc/97/61/51/566976151.db2.gz YALFSXMTQOOISH-UHFFFAOYSA-N 0 0 382.277 3.363 20 30 GGEDRN C=C[C@H]1CCCCN1C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000494193588 566976902 /nfs/dbraw/zinc/97/69/02/566976902.db2.gz AFFDIPRMIOCKPW-AWEZNQCLSA-N 0 0 385.555 3.029 20 30 GGEDRN N#Cc1cccc(N2CCN(c3noc4ccc(Br)cc43)CC2)n1 ZINC000583725663 566978113 /nfs/dbraw/zinc/97/81/13/566978113.db2.gz YSINNVYGCSDEFA-UHFFFAOYSA-N 0 0 384.237 3.184 20 30 GGEDRN N#Cc1ccc(OCC(=O)N2CCC[C@]3(CCSC3)C2)cc1Br ZINC000583736955 566978230 /nfs/dbraw/zinc/97/82/30/566978230.db2.gz KRMCRWAMGCGODR-KRWDZBQOSA-N 0 0 395.322 3.445 20 30 GGEDRN CN(CC(=O)NCc1cccc(C#N)c1)Cc1ccc(Br)s1 ZINC000519907684 566978537 /nfs/dbraw/zinc/97/85/37/566978537.db2.gz VHXXJQPJRPQWST-UHFFFAOYSA-N 0 0 378.295 3.130 20 30 GGEDRN N#Cc1ccc(CSc2nnc(NC(=O)c3csc(=O)[nH]3)s2)cc1 ZINC000471785968 566978728 /nfs/dbraw/zinc/97/87/28/566978728.db2.gz GQFZFRVDVIIINA-UHFFFAOYSA-N 0 0 375.460 3.116 20 30 GGEDRN Cc1cc(CN2CCN(c3c(C#N)c(C)nn3C)CC2)sc1Br ZINC000471816183 566980266 /nfs/dbraw/zinc/98/02/66/566980266.db2.gz MZKHHFYEIYEUGS-UHFFFAOYSA-N 0 0 394.342 3.055 20 30 GGEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1ccc(Br)c(F)c1 ZINC000494274805 566980879 /nfs/dbraw/zinc/98/08/79/566980879.db2.gz SXPIDDYUXUQODX-YVEFUNNKSA-N 0 0 384.293 3.463 20 30 GGEDRN Cc1nc([C@](C)(NC(=O)c2cccc(C#N)c2Br)C2CC2)no1 ZINC000452440807 566981296 /nfs/dbraw/zinc/98/12/96/566981296.db2.gz JHNFEBORGANSMF-MRXNPFEDSA-N 0 0 375.226 3.067 20 30 GGEDRN N#Cc1ccc(NC(=O)NCc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000519990327 566981453 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ZINC000431895595 567115179 /nfs/dbraw/zinc/11/51/79/567115179.db2.gz DZXDFJNQAUAMSQ-JTQLQIEISA-N 0 0 388.268 3.051 20 30 GGEDRN CCN(CCC(F)(F)F)S(=O)(=O)c1cccc(Br)c1C#N ZINC000588112867 567115802 /nfs/dbraw/zinc/11/58/02/567115802.db2.gz FQYWQUHYOYIHIP-UHFFFAOYSA-N 0 0 385.205 3.284 20 30 GGEDRN N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H](c2ccco2)C1 ZINC000588115153 567115858 /nfs/dbraw/zinc/11/58/58/567115858.db2.gz LLPNNSHLVPOOHO-NSHDSACASA-N 0 0 381.251 3.092 20 30 GGEDRN CN(CCc1cccs1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000588117065 567115966 /nfs/dbraw/zinc/11/59/66/567115966.db2.gz YTTBPGNINCCYBI-UHFFFAOYSA-N 0 0 385.308 3.245 20 30 GGEDRN N#Cc1cc(Br)cn(Cc2nn(-c3ccccc3)c3c2CCC3)c1=O ZINC000565979533 567116375 /nfs/dbraw/zinc/11/63/75/567116375.db2.gz PNOPRCUPJHKLCN-UHFFFAOYSA-N 0 0 395.260 3.205 20 30 GGEDRN N#Cc1ccncc1C(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000588153429 567116882 /nfs/dbraw/zinc/11/68/82/567116882.db2.gz PZIVRYTWHRGEGB-UHFFFAOYSA-N 0 0 381.233 3.396 20 30 GGEDRN C=C(CNS(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccccc1 ZINC000588138636 567117129 /nfs/dbraw/zinc/11/71/29/567117129.db2.gz FZNLFFDKLKNAQM-UHFFFAOYSA-N 0 0 377.263 3.312 20 30 GGEDRN C=C(CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000588138676 567117196 /nfs/dbraw/zinc/11/71/96/567117196.db2.gz PZLIPZXYNIFYDR-UHFFFAOYSA-N 0 0 397.250 3.349 20 30 GGEDRN N#Cc1cccc(C(=O)N2CC[C@@H](O)[C@H](C3CCCC3)C2)c1Br ZINC000565995383 567117923 /nfs/dbraw/zinc/11/79/23/567117923.db2.gz YXTOFLRAVFZLLN-JKSUJKDBSA-N 0 0 377.282 3.334 20 30 GGEDRN CS(=O)(=O)c1ccc(CNC(=O)CCCCCC#N)cc1C(F)(F)F ZINC000588165421 567119088 /nfs/dbraw/zinc/11/90/88/567119088.db2.gz NKYXOIAJIMZNIL-UHFFFAOYSA-N 0 0 376.400 3.199 20 30 GGEDRN Cc1cc(N2CC[C@@H](NC(=O)CCCCCC#N)C2=O)ccc1Br ZINC000588164492 567119591 /nfs/dbraw/zinc/11/95/91/567119591.db2.gz WWWUMNVMSGWIRS-MRXNPFEDSA-N 0 0 392.297 3.453 20 30 GGEDRN CC(=O)N[C@@H]1Cc2ccccc2N(Cc2ccc(Br)cc2C#N)C1 ZINC000588203140 567120405 /nfs/dbraw/zinc/12/04/05/567120405.db2.gz JCGSDAVETCROSF-GOSISDBHSA-N 0 0 384.277 3.388 20 30 GGEDRN CC(C)c1nc([C@@H]2COCCN2Cc2ccc(Br)cc2C#N)no1 ZINC000588204707 567120565 /nfs/dbraw/zinc/12/05/65/567120565.db2.gz WTLNBPHAFTXUHW-HNNXBMFYSA-N 0 0 391.269 3.401 20 30 GGEDRN CC[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000453867496 567121320 /nfs/dbraw/zinc/12/13/20/567121320.db2.gz OJXHKIXUPAKTQV-VXGBXAGGSA-N 0 0 378.270 3.202 20 30 GGEDRN Cc1cc(N2C[C@@H](C(=O)N(CCC#N)C(C)C)CC2=O)ccc1Br ZINC000522583145 567121678 /nfs/dbraw/zinc/12/16/78/567121678.db2.gz KYXPARZFJDPQGG-AWEZNQCLSA-N 0 0 392.297 3.261 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)c1ccc(C#N)cc1 ZINC000497746739 567121776 /nfs/dbraw/zinc/12/17/76/567121776.db2.gz ASACOKDLLOSHAK-NSHDSACASA-N 0 0 397.232 3.008 20 30 GGEDRN C=C(C)CCNC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000453879485 567122194 /nfs/dbraw/zinc/12/21/94/567122194.db2.gz OPWQCNGRXZCDGE-UHFFFAOYSA-N 0 0 380.286 3.070 20 30 GGEDRN CCc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)s1 ZINC000497761061 567122475 /nfs/dbraw/zinc/12/24/75/567122475.db2.gz GNLQANHNRQPDDQ-UHFFFAOYSA-N 0 0 392.278 3.200 20 30 GGEDRN CC(C)N(CCC#N)C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000522647442 567122676 /nfs/dbraw/zinc/12/26/76/567122676.db2.gz OFAVMPBJWSILED-QFIPXVFZSA-N 0 0 385.327 3.488 20 30 GGEDRN C=CC(C)(C)CNC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000453879328 567122924 /nfs/dbraw/zinc/12/29/24/567122924.db2.gz KCFJMQUMWCAFST-UHFFFAOYSA-N 0 0 394.313 3.316 20 30 GGEDRN CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000497763484 567122845 /nfs/dbraw/zinc/12/28/45/567122845.db2.gz PTZAJHVGBPHELZ-NHYWBVRUSA-N 0 0 378.270 3.344 20 30 GGEDRN C=C(C)CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000453889162 567123756 /nfs/dbraw/zinc/12/37/56/567123756.db2.gz YZOSVMINTBPUNP-UHFFFAOYSA-N 0 0 379.176 3.489 20 30 GGEDRN COC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(Cl)c(C#N)c3)nc2C1 ZINC000566082111 567124304 /nfs/dbraw/zinc/12/43/04/567124304.db2.gz JUOCJEWQTSXLLP-SNVBAGLBSA-N 0 0 375.837 3.198 20 30 GGEDRN CN(CCNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)CC(F)(F)F ZINC000522674289 567125073 /nfs/dbraw/zinc/12/50/73/567125073.db2.gz GQJSUQDFCCGRLT-UHFFFAOYSA-N 0 0 389.262 3.007 20 30 GGEDRN COc1cc(CCNC(=O)Nc2ccc(C#N)c(Br)c2)ccc1O ZINC000588314459 567125269 /nfs/dbraw/zinc/12/52/69/567125269.db2.gz SLTYPUVQSVJSRE-UHFFFAOYSA-N 0 0 390.237 3.399 20 30 GGEDRN C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)CC(F)(F)F)cc1 ZINC000588292271 567125525 /nfs/dbraw/zinc/12/55/25/567125525.db2.gz TYHPNWSCKAQTIJ-JTQLQIEISA-N 0 0 377.388 3.225 20 30 GGEDRN COCCN(CCC#N)C(=O)Nc1nc2c(cccc2Br)s1 ZINC000588339439 567126484 /nfs/dbraw/zinc/12/64/84/567126484.db2.gz SJUNHVUBKJLFKM-UHFFFAOYSA-N 0 0 383.271 3.453 20 30 GGEDRN COC(=O)Cc1cccc(C(=O)N[C@@H](C#N)c2ccccc2Br)c1 ZINC000614621939 567126582 /nfs/dbraw/zinc/12/65/82/567126582.db2.gz ZMBIBHBZZQEWAY-INIZCTEOSA-N 0 0 387.233 3.159 20 30 GGEDRN N#C[C@@H](NC(=O)c1cnc(C(F)(F)F)nc1)c1ccccc1Br ZINC000614621932 567127109 /nfs/dbraw/zinc/12/71/09/567127109.db2.gz 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C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cc2sc(C)nc2cc1Cl ZINC000453950270 567129815 /nfs/dbraw/zinc/12/98/15/567129815.db2.gz ONKNBNKRCKLASO-RISCZKNCSA-N 0 0 379.869 3.046 20 30 GGEDRN Cc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)cc1F ZINC000497878425 567131156 /nfs/dbraw/zinc/13/11/56/567131156.db2.gz HEJYFJFUHOXSEO-UHFFFAOYSA-N 0 0 390.212 3.023 20 30 GGEDRN N#C[C@@H](NC(=O)c1cnc2c(c1)NC(=O)CS2)c1cccc(Cl)c1Cl ZINC000497882233 567131412 /nfs/dbraw/zinc/13/14/12/567131412.db2.gz VPFOUBMLLFTUSE-GFCCVEGCSA-N 0 0 393.255 3.427 20 30 GGEDRN C[C@H]1C[C@H](NC(=O)N2CCC(CCC#N)CC2)c2ccsc2S1(=O)=O ZINC000566157464 567131680 /nfs/dbraw/zinc/13/16/80/567131680.db2.gz UCSYWNDKJFERRM-WFASDCNBSA-N 0 0 381.523 3.080 20 30 GGEDRN COC(=O)c1ccc(I)c(Oc2ncccc2C#N)c1 ZINC000432153626 567134060 /nfs/dbraw/zinc/13/40/60/567134060.db2.gz DRXGNVOMSXSNJA-UHFFFAOYSA-N 0 0 380.141 3.137 20 30 GGEDRN Cc1ccc(Br)c(S(=O)(=O)N2CCc3ccc(C#N)cc32)c1 ZINC000497937082 567133950 /nfs/dbraw/zinc/13/39/50/567133950.db2.gz HIWBLLZYPLWIKP-UHFFFAOYSA-N 0 0 377.263 3.381 20 30 GGEDRN C=CCC1(CNC(=O)C(=O)Nc2cc(C)c(Br)cn2)CCCC1 ZINC000453987929 567134661 /nfs/dbraw/zinc/13/46/61/567134661.db2.gz NLRCOXIVJLSMCQ-UHFFFAOYSA-N 0 0 380.286 3.344 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cc1Cl ZINC000614737970 567136856 /nfs/dbraw/zinc/13/68/56/567136856.db2.gz IJRAWGWKTBUMNR-CRAIPNDOSA-N 0 0 376.865 3.268 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)[C@@H](C)COC ZINC000658371741 567136942 /nfs/dbraw/zinc/13/69/42/567136942.db2.gz NYVDIUFIFOLFOI-JTQLQIEISA-N 0 0 378.778 3.347 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1c(C)cc(Br)cc1C)[C@H](C)COC ZINC000658372167 567137053 /nfs/dbraw/zinc/13/70/53/567137053.db2.gz PODWGPXTJLVTMG-CYBMUJFWSA-N 0 0 383.286 3.054 20 30 GGEDRN CC[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C1CCCC1 ZINC000454014696 567137366 /nfs/dbraw/zinc/13/73/66/567137366.db2.gz SVLWVBVJXHGZAV-OAHLLOKOSA-N 0 0 378.270 3.344 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](C)COC 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/nfs/dbraw/zinc/18/21/52/567182152.db2.gz ABESPJFNIAMUEE-UHFFFAOYSA-N 0 0 389.249 3.315 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000474605567 567182320 /nfs/dbraw/zinc/18/23/20/567182320.db2.gz IYMSXGOGQNYNOA-UHFFFAOYSA-N 0 0 381.219 3.469 20 30 GGEDRN Cc1onc(CC(=O)N[C@H](C)CCc2ccc(Br)cc2)c1C#N ZINC000498505335 567182468 /nfs/dbraw/zinc/18/24/68/567182468.db2.gz TWPUIFCVOFGTOO-LLVKDONJSA-N 0 0 376.254 3.297 20 30 GGEDRN Cc1cccc(CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)c1Br ZINC000566710408 567183093 /nfs/dbraw/zinc/18/30/93/567183093.db2.gz VYRJKQUAVNMUHL-UHFFFAOYSA-N 0 0 390.212 3.023 20 30 GGEDRN Cc1ccc(C(=O)NCc2cccc(C#N)c2)cc1I ZINC000524132930 567183201 /nfs/dbraw/zinc/18/32/01/567183201.db2.gz XZVKRULDOJWMPH-UHFFFAOYSA-N 0 0 376.197 3.401 20 30 GGEDRN N#CCCn1cc(CNc2ccc(Br)cn2)c(-c2ccncc2)n1 ZINC000432732509 567183883 /nfs/dbraw/zinc/18/38/83/567183883.db2.gz VMGSMUMDECTDJB-UHFFFAOYSA-N 0 0 383.253 3.050 20 30 GGEDRN COC(=O)c1c(F)ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1F ZINC000589559557 567183856 /nfs/dbraw/zinc/18/38/56/567183856.db2.gz MLEXIYSAGUCEHV-UHFFFAOYSA-N 0 0 386.763 3.077 20 30 GGEDRN C=C(C)COCCNC(=O)Nc1cc(OC)ccc1I ZINC000474617582 567184122 /nfs/dbraw/zinc/18/41/22/567184122.db2.gz QFYWLKWDZQZIPU-UHFFFAOYSA-N 0 0 390.221 3.014 20 30 GGEDRN CCOc1cc(Br)c(F)cc1NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000589571558 567184198 /nfs/dbraw/zinc/18/41/98/567184198.db2.gz OUWRONYUWKOZME-INIZCTEOSA-N 0 0 386.265 3.453 20 30 GGEDRN CCc1noc([C@H](C)N2CCN(c3cccc(Br)c3C#N)CC2)n1 ZINC000589572445 567184824 /nfs/dbraw/zinc/18/48/24/567184824.db2.gz ZRMRDAQNJSODJI-LBPRGKRZSA-N 0 0 390.285 3.149 20 30 GGEDRN CN(c1ccc(CNc2cccc(Br)c2C#N)cc1)S(C)(=O)=O ZINC000589572630 567184890 /nfs/dbraw/zinc/18/48/90/567184890.db2.gz HTSKUVPYADNJPT-UHFFFAOYSA-N 0 0 394.294 3.329 20 30 GGEDRN N#CCc1cccc(S(=O)(=O)Nc2cncc(Cl)c2Br)c1 ZINC000589594262 567185349 /nfs/dbraw/zinc/18/53/49/567185349.db2.gz QCWDSUAUHFFGJM-UHFFFAOYSA-N 0 0 386.658 3.364 20 30 GGEDRN COc1ccccc1CCNC(=O)CNc1cccc(Br)c1C#N ZINC000589598660 567185587 /nfs/dbraw/zinc/18/55/87/567185587.db2.gz GEHXYXIEXGWWTR-UHFFFAOYSA-N 0 0 388.265 3.100 20 30 GGEDRN N#Cc1ccc(NC[C@H](CO)Cc2ccccc2Br)cc1[N+](=O)[O-] ZINC000589597872 567185672 /nfs/dbraw/zinc/18/56/72/567185672.db2.gz XWKNRJHDTZSTKB-GFCCVEGCSA-N 0 0 390.237 3.492 20 30 GGEDRN Cc1nsc(N2CCN(c3ncc(C)cc3Br)CC2)c1C#N ZINC000589605072 567186212 /nfs/dbraw/zinc/18/62/12/567186212.db2.gz XYHYWXUPBWWPOM-UHFFFAOYSA-N 0 0 378.299 3.116 20 30 GGEDRN Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)cc1[N+](=O)[O-] ZINC000432760736 567186463 /nfs/dbraw/zinc/18/64/63/567186463.db2.gz WXBQRUKAJFYPPC-UHFFFAOYSA-N 0 0 396.222 3.338 20 30 GGEDRN CCN(CCOc1ccc(Br)cc1)C(=O)Cc1noc(C)c1C#N ZINC000498557815 567186501 /nfs/dbraw/zinc/18/65/01/567186501.db2.gz WSISZPFOVBRCAH-UHFFFAOYSA-N 0 0 392.253 3.087 20 30 GGEDRN COc1ccc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)c(C)c1 ZINC000432766885 567186652 /nfs/dbraw/zinc/18/66/52/567186652.db2.gz FKVUNNDYWUGSTQ-UHFFFAOYSA-N 0 0 381.251 3.439 20 30 GGEDRN C=CCn1c(C)cc(C(=O)CN(C)CCn2cc(Br)cn2)c1C ZINC000566761175 567186700 /nfs/dbraw/zinc/18/67/00/567186700.db2.gz HFUFZUFTZDNFKK-UHFFFAOYSA-N 0 0 379.302 3.065 20 30 GGEDRN CS(=O)(=O)Nc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)ccc1Cl ZINC000524169192 567186828 /nfs/dbraw/zinc/18/68/28/567186828.db2.gz PDZWWCFVXBSIFA-OAHLLOKOSA-N 0 0 398.271 3.360 20 30 GGEDRN N#Cc1cccc(C(=O)Nc2ccc(Cl)cc2I)n1 ZINC000589616482 567186826 /nfs/dbraw/zinc/18/68/26/567186826.db2.gz LABATPLEMRAQQV-UHFFFAOYSA-N 0 0 383.576 3.464 20 30 GGEDRN CC(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432765369 567186842 /nfs/dbraw/zinc/18/68/42/567186842.db2.gz BRHNECKSCFBBFJ-UHFFFAOYSA-N 0 0 379.235 3.324 20 30 GGEDRN CS(=O)(=O)Nc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)ccc1Cl ZINC000524169191 567187002 /nfs/dbraw/zinc/18/70/02/567187002.db2.gz PDZWWCFVXBSIFA-HNNXBMFYSA-N 0 0 398.271 3.360 20 30 GGEDRN N#C[C@]1(F)CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000615538630 567187984 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CC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000432776004 567189356 /nfs/dbraw/zinc/18/93/56/567189356.db2.gz LGVAOLMZGHFOAX-UHFFFAOYSA-N 0 0 379.235 3.324 20 30 GGEDRN N#C[C@@]1(F)CCN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000615538422 567189392 /nfs/dbraw/zinc/18/93/92/567189392.db2.gz HHRRTYVOFSEPIP-AWEZNQCLSA-N 0 0 392.175 3.198 20 30 GGEDRN Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432778526 567190799 /nfs/dbraw/zinc/19/07/99/567190799.db2.gz ZEEPJMFMUXKBOW-UHFFFAOYSA-N 0 0 376.235 3.302 20 30 GGEDRN CCn1c(-c2ccc(F)cc2Br)nnc1N(CCC#N)CCOC ZINC000589637147 567190925 /nfs/dbraw/zinc/19/09/25/567190925.db2.gz WLJRUCTYYFAMLX-UHFFFAOYSA-N 0 0 396.264 3.233 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc3nccnc3c2)cc1Br ZINC000432776661 567191260 /nfs/dbraw/zinc/19/12/60/567191260.db2.gz ADCNJCYCRAAFCH-UHFFFAOYSA-N 0 0 389.234 3.065 20 30 GGEDRN N#C[C@@]1(F)CCN(C(=O)CCOc2ccc(Cl)cc2Br)C1 ZINC000615581377 567191631 /nfs/dbraw/zinc/19/16/31/567191631.db2.gz BDCYIIMUIRAKKH-AWEZNQCLSA-N 0 0 375.625 3.336 20 30 GGEDRN N#C[C@@]1(F)CCN(C(=O)c2cc(Br)sc2Br)C1 ZINC000615589863 567191745 /nfs/dbraw/zinc/19/17/45/567191745.db2.gz LRPZVODWMQPKDH-JTQLQIEISA-N 0 0 382.052 3.351 20 30 GGEDRN N#C[C@]1(F)CCN(C(=O)c2cc(Br)cc(Br)c2)C1 ZINC000615591494 567191838 /nfs/dbraw/zinc/19/18/38/567191838.db2.gz QNVIQUAWBRVRSZ-GFCCVEGCSA-N 0 0 376.023 3.289 20 30 GGEDRN CCOc1cc(Br)c(CC(=O)N2CC[C@@](F)(C#N)C2)cc1OCC ZINC000615593821 567191851 /nfs/dbraw/zinc/19/18/51/567191851.db2.gz GABBPMFVAZDIKY-QGZVFWFLSA-N 0 0 399.260 3.253 20 30 GGEDRN N#C[C@@]1(F)CCN(C(=O)c2ccc(I)cc2Cl)C1 ZINC000615591676 567192239 /nfs/dbraw/zinc/19/22/39/567192239.db2.gz YRDVZBFBMBPBEQ-LBPRGKRZSA-N 0 0 378.572 3.022 20 30 GGEDRN COC(=O)c1cc(Br)cc(C(=O)NCc2ccc(C#N)cc2F)c1 ZINC000589700031 567192579 /nfs/dbraw/zinc/19/25/79/567192579.db2.gz DYPXZGWOVNKCNT-UHFFFAOYSA-N 0 0 391.196 3.176 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000454663171 567193393 /nfs/dbraw/zinc/19/33/93/567193393.db2.gz PIXBKXJYDWVGAT-MRVPVSSYSA-N 0 0 396.175 3.018 20 30 GGEDRN N#Cc1cccc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)n1 ZINC000589758628 567193357 /nfs/dbraw/zinc/19/33/57/567193357.db2.gz BBIBDUPNRQOBOU-UHFFFAOYSA-N 0 0 386.249 3.151 20 30 GGEDRN N#Cc1cccc(C(=O)N2CCOc3c(Cl)cc(Br)cc32)n1 ZINC000589803972 567193554 /nfs/dbraw/zinc/19/35/54/567193554.db2.gz VRAHBNYDZFBNHZ-UHFFFAOYSA-N 0 0 378.613 3.408 20 30 GGEDRN N#Cc1cccc(C(=O)N2CCOc3cc(Br)c(Cl)cc32)n1 ZINC000589781993 567193630 /nfs/dbraw/zinc/19/36/30/567193630.db2.gz NDBMICRLCJWZBA-UHFFFAOYSA-N 0 0 378.613 3.408 20 30 GGEDRN N#C[C@]1(F)CCN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000615609097 567193871 /nfs/dbraw/zinc/19/38/71/567193871.db2.gz YHCAQZTXPFBEMK-QGZVFWFLSA-N 0 0 379.844 3.382 20 30 GGEDRN CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CCCCCC#N ZINC000589836405 567193834 /nfs/dbraw/zinc/19/38/34/567193834.db2.gz RYZMHKDQCLLWMR-UHFFFAOYSA-N 0 0 377.388 3.489 20 30 GGEDRN COC(=O)CCC1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000566837126 567194096 /nfs/dbraw/zinc/19/40/96/567194096.db2.gz 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N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000590679965 567238711 /nfs/dbraw/zinc/23/87/11/567238711.db2.gz VAVIIGZIBPVRMZ-CYBMUJFWSA-N 0 0 393.281 3.308 20 30 GGEDRN CCc1nn(C)c(CC)c1CC(=O)N[C@@H](C#N)c1ccccc1Br ZINC000616338707 567239390 /nfs/dbraw/zinc/23/93/90/567239390.db2.gz DQFRIEUUUIDQAB-INIZCTEOSA-N 0 0 389.297 3.231 20 30 GGEDRN CN(C[C@@H](O)COc1ccc(Cl)cc1Br)CC(C)(C)C#N ZINC000433301716 567240114 /nfs/dbraw/zinc/24/01/14/567240114.db2.gz HGHURSOICJUUQA-GFCCVEGCSA-N 0 0 375.694 3.324 20 30 GGEDRN N#CCN1CCC(Nc2ccc3c(Cl)ccc(Br)c3n2)CC1 ZINC000590689959 567240332 /nfs/dbraw/zinc/24/03/32/567240332.db2.gz FFFMGSAPHWUFNJ-UHFFFAOYSA-N 0 0 379.689 3.472 20 30 GGEDRN N#Cc1cc(Br)cnc1N1CCC[C@H](Oc2ncccc2F)C1 ZINC000590700051 567240371 /nfs/dbraw/zinc/24/03/71/567240371.db2.gz RDGYGWHYFLJEPA-ZDUSSCGKSA-N 0 0 377.217 3.298 20 30 GGEDRN COc1cc(F)ccc1S(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000659921172 567240649 /nfs/dbraw/zinc/24/06/49/567240649.db2.gz 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CVTJEDPTMAWDAI-UHFFFAOYSA-N 0 0 382.221 3.315 20 30 GGEDRN C=CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)C1=O ZINC000684919951 567245416 /nfs/dbraw/zinc/24/54/16/567245416.db2.gz GDPGVBKXVSVPQF-ZDUSSCGKSA-N 0 0 391.320 3.018 20 30 GGEDRN COc1cccc([C@H]2C[C@H](NS(=O)(=O)c3ccc(C#N)cc3Cl)C2)c1 ZINC000590763725 567245419 /nfs/dbraw/zinc/24/54/19/567245419.db2.gz SLGHERABZBXOKQ-SHTZXODSSA-N 0 0 376.865 3.445 20 30 GGEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3cc(Cl)c(Cl)cn3)C2)nc1 ZINC000455194315 567245856 /nfs/dbraw/zinc/24/58/56/567245856.db2.gz YGSGAZORVTXFER-LLVKDONJSA-N 0 0 378.219 3.340 20 30 GGEDRN C=CCOCCCOc1c(I)cc(C#N)cc1[N+](=O)[O-] ZINC000475894095 567286173 /nfs/dbraw/zinc/28/61/73/567286173.db2.gz CFQZXZNUOVDCOH-UHFFFAOYSA-N 0 0 388.161 3.043 20 30 GGEDRN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000567444244 567246411 /nfs/dbraw/zinc/24/64/11/567246411.db2.gz DVFJNEGITASFLI-MCIONIFRSA-N 0 0 378.778 3.035 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N(C)CCc1ccc(Br)cc1 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COc1c(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000475459166 567250264 /nfs/dbraw/zinc/25/02/64/567250264.db2.gz UQBYAONHKYVEQL-ZDUSSCGKSA-N 0 0 390.193 3.361 20 30 GGEDRN N#Cc1ccc(NC(=O)N[C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1Br ZINC000590835391 567251559 /nfs/dbraw/zinc/25/15/59/567251559.db2.gz RRQWSAKANBCDIR-GWCFXTLKSA-N 0 0 392.175 3.288 20 30 GGEDRN C=CCN1CC[C@H](N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)C1=O ZINC000685002507 567252077 /nfs/dbraw/zinc/25/20/77/567252077.db2.gz UXYXBCVFZZRBCZ-CVEARBPZSA-N 0 0 382.291 3.183 20 30 GGEDRN CC(C)(C)[C@@](C)(C#N)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000499487597 567252760 /nfs/dbraw/zinc/25/27/60/567252760.db2.gz YCSIUTAQBGIJPA-QGZVFWFLSA-N 0 0 381.270 3.207 20 30 GGEDRN CCOC(=O)Cc1cnc(NC(=O)NCc2ccc(C#N)c(Cl)c2)s1 ZINC000590856873 567252963 /nfs/dbraw/zinc/25/29/63/567252963.db2.gz SLIGUVFXIKQJCY-UHFFFAOYSA-N 0 0 378.841 3.095 20 30 GGEDRN C=CCN1CC[C@@H](N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)C1=O ZINC000685002510 567252887 /nfs/dbraw/zinc/25/28/87/567252887.db2.gz UXYXBCVFZZRBCZ-JKSUJKDBSA-N 0 0 382.291 3.183 20 30 GGEDRN CC(C)(C)[C@](C)(C#N)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000499487596 567253119 /nfs/dbraw/zinc/25/31/19/567253119.db2.gz YCSIUTAQBGIJPA-KRWDZBQOSA-N 0 0 381.270 3.207 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000499494664 567253199 /nfs/dbraw/zinc/25/31/99/567253199.db2.gz VIVJWDMEPQYXEZ-UHFFFAOYSA-N 0 0 377.432 3.053 20 30 GGEDRN CCC1(c2ccc(Cl)cc2)CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 ZINC000499492601 567253501 /nfs/dbraw/zinc/25/35/01/567253501.db2.gz MXDZAFGNFAWTLP-HNNXBMFYSA-N 0 0 383.945 3.420 20 30 GGEDRN Cc1cc(S(=O)(=O)NCCOCC(F)(F)C(F)F)ccc1C(F)(F)F ZINC000567524379 567253788 /nfs/dbraw/zinc/25/37/88/567253788.db2.gz NBKXNEUKSNWYJP-UHFFFAOYSA-N 0 0 397.312 3.209 20 30 GGEDRN CCOc1ccc2c(c1)CCN(S(=O)(=O)c1ccc(Cl)c(C#N)c1)C2 ZINC000433493270 567254236 /nfs/dbraw/zinc/25/42/36/567254236.db2.gz YSEWMXXSHKRMCX-UHFFFAOYSA-N 0 0 376.865 3.357 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2COc3ccc(Cl)cc32)cc1Cl ZINC000475531241 567254460 /nfs/dbraw/zinc/25/44/60/567254460.db2.gz UCVFNQWAURKCAB-CQSZACIVSA-N 0 0 376.199 3.053 20 30 GGEDRN CC(C)(C)[C@@](C)(C#N)NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000499512121 567254445 /nfs/dbraw/zinc/25/44/45/567254445.db2.gz NWMKKXALQAKDCI-KPZWWZAWSA-N 0 0 392.297 3.247 20 30 GGEDRN N#CCCCCCC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000590888736 567254627 /nfs/dbraw/zinc/25/46/27/567254627.db2.gz VLFVEBJZIOPDDC-UHFFFAOYSA-N 0 0 381.274 3.093 20 30 GGEDRN Cn1ncc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c1C#N ZINC000475530855 567254892 /nfs/dbraw/zinc/25/48/92/567254892.db2.gz PAINOCSCCGPMNE-UHFFFAOYSA-N 0 0 375.219 3.096 20 30 GGEDRN C=CCN(Cc1c([N+](=O)[O-])ncn1C)Cc1cc(Br)ccc1F ZINC000475537234 567256045 /nfs/dbraw/zinc/25/60/45/567256045.db2.gz MKFARNGIWAOIJU-UHFFFAOYSA-N 0 0 383.221 3.418 20 30 GGEDRN N#CCC1CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000567560336 567256139 /nfs/dbraw/zinc/25/61/39/567256139.db2.gz QPLHRMGYYPXOMR-MRXNPFEDSA-N 0 0 391.313 3.363 20 30 GGEDRN CN(Cc1cccc(Br)c1)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000433530253 567256948 /nfs/dbraw/zinc/25/69/48/567256948.db2.gz MZIZFAUGNADXAC-UHFFFAOYSA-N 0 0 390.212 3.057 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)NCCc2nc3ccccc3s2)c1 ZINC000475552970 567257263 /nfs/dbraw/zinc/25/72/63/567257263.db2.gz NJSXPLKRZPLULQ-UHFFFAOYSA-N 0 0 377.878 3.342 20 30 GGEDRN C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000616768073 567257480 /nfs/dbraw/zinc/25/74/80/567257480.db2.gz XOVXSKBHHCEVFY-OAHLLOKOSA-N 0 0 384.661 3.193 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)c1cc(Br)cnc1N(C)C ZINC000499556971 567257439 /nfs/dbraw/zinc/25/74/39/567257439.db2.gz JQLHJRFGQMVTPA-UHFFFAOYSA-N 0 0 375.226 3.043 20 30 GGEDRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000616768683 567257497 /nfs/dbraw/zinc/25/74/97/567257497.db2.gz AEJSVPWQVPZIPH-IAGOWNOFSA-N 0 0 384.307 3.373 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)OC ZINC000475553909 567257502 /nfs/dbraw/zinc/25/75/02/567257502.db2.gz LLCPEZHTMHFMBR-ZIAGYGMSSA-N 0 0 391.942 3.451 20 30 GGEDRN CN(C)[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1Cl ZINC000475563251 567257951 /nfs/dbraw/zinc/25/79/51/567257951.db2.gz VURLNVLEEOGECG-INIZCTEOSA-N 0 0 398.315 3.446 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)c1cc(Br)c(C)n(C)c1=O ZINC000433567860 567258902 /nfs/dbraw/zinc/25/89/02/567258902.db2.gz IRQHNSOYTDVSGQ-UHFFFAOYSA-N 0 0 375.266 3.285 20 30 GGEDRN C=CCCCCNC(=O)C(=O)Nc1cc(C)cc(I)c1 ZINC000499567070 567259052 /nfs/dbraw/zinc/25/90/52/567259052.db2.gz ZPCXHOMYJOKAPX-UHFFFAOYSA-N 0 0 386.233 3.011 20 30 GGEDRN CC(C)(C#N)CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000499580875 567259138 /nfs/dbraw/zinc/25/91/38/567259138.db2.gz KLJIASVIIHIEEJ-UHFFFAOYSA-N 0 0 393.329 3.262 20 30 GGEDRN C=C(C)CCNC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000455321252 567259412 /nfs/dbraw/zinc/25/94/12/567259412.db2.gz INLOTXIWMRVUGN-UHFFFAOYSA-N 0 0 378.274 3.137 20 30 GGEDRN COC(=O)c1cc(F)c(Br)cc1NC(=O)N(C)CC(C)(C)C#N ZINC000455328883 567261031 /nfs/dbraw/zinc/26/10/31/567261031.db2.gz QYBHOYOAAGKSHW-UHFFFAOYSA-N 0 0 386.221 3.388 20 30 GGEDRN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(S(C)(=O)=O)s3)sc2C1 ZINC000567607221 567261520 /nfs/dbraw/zinc/26/15/20/567261520.db2.gz UFTBBJNNNOESGK-VIFPVBQESA-N 0 0 380.516 3.462 20 30 GGEDRN CC(C)(CC#N)CNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000591032335 567261592 /nfs/dbraw/zinc/26/15/92/567261592.db2.gz CVRKUXRBBSWOAP-UHFFFAOYSA-N 0 0 390.640 3.236 20 30 GGEDRN C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)c1cnn(C)c1C#N ZINC000475648002 567263731 /nfs/dbraw/zinc/26/37/31/567263731.db2.gz SXNIBRGPCJUCML-PSLIRLAXSA-N 0 0 391.294 3.267 20 30 GGEDRN C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)c1cnn(C)c1C#N ZINC000475648005 567264720 /nfs/dbraw/zinc/26/47/20/567264720.db2.gz SXNIBRGPCJUCML-VFZGTOFNSA-N 0 0 391.294 3.267 20 30 GGEDRN Cc1cc(CN2CCNC(=O)[C@@H]2c2ccc(Br)cc2)ccc1C#N ZINC000475667275 567265813 /nfs/dbraw/zinc/26/58/13/567265813.db2.gz MESFXIRCHALOMC-SFHVURJKSA-N 0 0 384.277 3.302 20 30 GGEDRN CCc1nc(CN(C)C(=O)COc2ccc(C#N)c(Br)c2)cs1 ZINC000567681021 567267407 /nfs/dbraw/zinc/26/74/07/567267407.db2.gz AQSLPHKKGPIUSQ-UHFFFAOYSA-N 0 0 394.294 3.377 20 30 GGEDRN C[C@@H](NC(=O)NCC(C)(C)C#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000499723974 567267714 /nfs/dbraw/zinc/26/77/14/567267714.db2.gz QFTNQLRRCDVPDI-SNVBAGLBSA-N 0 0 392.257 3.409 20 30 GGEDRN CCC[C@H](C#N)NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000547951919 567268441 /nfs/dbraw/zinc/26/84/41/567268441.db2.gz YHXFYMAGSLLUGP-HUUCEWRRSA-N 0 0 386.901 3.258 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)Cc1ccccc1I ZINC000433717261 567269208 /nfs/dbraw/zinc/26/92/08/567269208.db2.gz CYXXESYAMKTJEI-UHFFFAOYSA-N 0 0 392.196 3.353 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000499743462 567269491 /nfs/dbraw/zinc/26/94/91/567269491.db2.gz QEULRXMXVVNPIY-JOCQHMNTSA-N 0 0 376.309 3.309 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000499744244 567269776 /nfs/dbraw/zinc/26/97/76/567269776.db2.gz SXIWLKPYRBYVGD-KPZWWZAWSA-N 0 0 376.865 3.434 20 30 GGEDRN CCN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000499739245 567269813 /nfs/dbraw/zinc/26/98/13/567269813.db2.gz ABILHCJKJWWFLH-CTYIDZIISA-N 0 0 375.416 3.021 20 30 GGEDRN C=CCCC(C)(C)NS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000660142768 567270437 /nfs/dbraw/zinc/27/04/37/567270437.db2.gz JISPFUJECHSZHW-UHFFFAOYSA-N 0 0 389.315 3.431 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N[C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000499744247 567270562 /nfs/dbraw/zinc/27/05/62/567270562.db2.gz SXIWLKPYRBYVGD-XIKOKIGWSA-N 0 0 376.865 3.434 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000499744246 567271051 /nfs/dbraw/zinc/27/10/51/567271051.db2.gz SXIWLKPYRBYVGD-SGTLLEGYSA-N 0 0 376.865 3.434 20 30 GGEDRN C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1nc2n(c1C#N)CCS2 ZINC000499744363 567271327 /nfs/dbraw/zinc/27/13/27/567271327.db2.gz RCGOHXQRIRIHHN-JTQLQIEISA-N 0 0 391.294 3.440 20 30 GGEDRN COCCOc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2Cl)cc1C ZINC000525866064 567272439 /nfs/dbraw/zinc/27/24/39/567272439.db2.gz OLLLPNRYGYBIJZ-UHFFFAOYSA-N 0 0 380.853 3.346 20 30 GGEDRN CC[C@H](CC(F)(F)F)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000499784309 567272422 /nfs/dbraw/zinc/27/24/22/567272422.db2.gz VICFEFHKITVEHS-SECBINFHSA-N 0 0 392.175 3.106 20 30 GGEDRN N#CCCCNC(=O)C(=O)Nc1cccc(-c2ccc(Br)cc2)c1 ZINC000499780947 567272461 /nfs/dbraw/zinc/27/24/61/567272461.db2.gz MBVCXYHVTZYCMR-UHFFFAOYSA-N 0 0 386.249 3.475 20 30 GGEDRN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC(C)(C)CCC#N ZINC000567719404 567272542 /nfs/dbraw/zinc/27/25/42/567272542.db2.gz SMHOCVUVRZLWCP-ZDUSSCGKSA-N 0 0 388.917 3.362 20 30 GGEDRN CCOc1ccc(Br)cc1S(=O)(=O)NCC(C)(C)CC#N ZINC000591330414 567274424 /nfs/dbraw/zinc/27/44/24/567274424.db2.gz ZPQFVBBYNNOJBA-UHFFFAOYSA-N 0 0 375.288 3.066 20 30 GGEDRN COC(=O)CN(Cc1cccc(Br)c1)C(=O)c1ccc(C#N)s1 ZINC000475767244 567274487 /nfs/dbraw/zinc/27/44/87/567274487.db2.gz GUIRMTXNIBXKHV-UHFFFAOYSA-N 0 0 393.262 3.198 20 30 GGEDRN CC(C)(CC(F)(F)F)NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000591327966 567274764 /nfs/dbraw/zinc/27/47/64/567274764.db2.gz FKKVNZYLJVHHJM-UHFFFAOYSA-N 0 0 385.205 3.330 20 30 GGEDRN C[C@H]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc(C#N)c(Br)c3)C2)C1 ZINC000499831189 567275861 /nfs/dbraw/zinc/27/58/61/567275861.db2.gz FUSXNASEMNQOOI-SGTLLEGYSA-N 0 0 390.281 3.298 20 30 GGEDRN N#C[C@@]1(F)CCN(C(=O)Nc2c(F)cc(I)cc2F)C1 ZINC000591347725 567276087 /nfs/dbraw/zinc/27/60/87/567276087.db2.gz RJUMPTUSOZDZHI-LBPRGKRZSA-N 0 0 395.122 3.039 20 30 GGEDRN N#C[C@]1(F)CCN(C(=O)Nc2c(F)cc(I)cc2F)C1 ZINC000591347724 567276132 /nfs/dbraw/zinc/27/61/32/567276132.db2.gz RJUMPTUSOZDZHI-GFCCVEGCSA-N 0 0 395.122 3.039 20 30 GGEDRN N#Cc1ccc(NC(=O)N2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1Br ZINC000455460602 567276421 /nfs/dbraw/zinc/27/64/21/567276421.db2.gz OHTKNOUMZITVRJ-UXIGCNINSA-N 0 0 378.270 3.336 20 30 GGEDRN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000499838719 567276802 /nfs/dbraw/zinc/27/68/02/567276802.db2.gz ZFRJZQHBMPQIIM-MEDUHNTESA-N 0 0 376.243 3.493 20 30 GGEDRN N#CCc1ccccc1S(=O)(=O)N1CCc2cc(Br)cc(F)c21 ZINC000475785918 567276797 /nfs/dbraw/zinc/27/67/97/567276797.db2.gz FPMIWYDCJZMGPI-UHFFFAOYSA-N 0 0 395.253 3.406 20 30 GGEDRN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000499838721 567277137 /nfs/dbraw/zinc/27/71/37/567277137.db2.gz ZFRJZQHBMPQIIM-ZBEGNZNMSA-N 0 0 376.243 3.493 20 30 GGEDRN N#CCc1ccccc1S(=O)(=O)N1CCc2cc(Br)ccc21 ZINC000475789951 567277544 /nfs/dbraw/zinc/27/75/44/567277544.db2.gz LXOJVIQOTIBRAA-UHFFFAOYSA-N 0 0 377.263 3.267 20 30 GGEDRN N#C[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1c(Cl)cccc1Cl ZINC000499866755 567277795 /nfs/dbraw/zinc/27/77/95/567277795.db2.gz YVXPVNUFHGNXFH-ZDUSSCGKSA-N 0 0 376.199 3.319 20 30 GGEDRN COc1cc(C)ccc1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433861784 567278077 /nfs/dbraw/zinc/27/80/77/567278077.db2.gz FQEIBXNXWMWQGH-UHFFFAOYSA-N 0 0 395.278 3.116 20 30 GGEDRN CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000455465875 567278136 /nfs/dbraw/zinc/27/81/36/567278136.db2.gz RJLDHTGYGXFZIM-OCCSQVGLSA-N 0 0 380.242 3.174 20 30 GGEDRN COC(=O)c1cc(Br)cc(NC(=O)N2CC[C@](F)(C#N)C2)c1C ZINC000591351775 567278206 /nfs/dbraw/zinc/27/82/06/567278206.db2.gz IZECHNOYMFNIIL-HNNXBMFYSA-N 0 0 384.205 3.014 20 30 GGEDRN CC[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1c(C)noc1C ZINC000433864781 567278415 /nfs/dbraw/zinc/27/84/15/567278415.db2.gz ZCSZXZAZJCXKPG-CQSZACIVSA-N 0 0 398.282 3.355 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCCc2ccc(F)cc2Cl)cc1Cl ZINC000499865123 567278745 /nfs/dbraw/zinc/27/87/45/567278745.db2.gz AAGUKRIXBFMEDB-UHFFFAOYSA-N 0 0 380.206 3.302 20 30 GGEDRN N#Cc1cc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)ccc1F ZINC000548085227 567278881 /nfs/dbraw/zinc/27/88/81/567278881.db2.gz IXJNRYVNAUSSHS-CQSZACIVSA-N 0 0 388.240 3.469 20 30 GGEDRN CC1CCC(N2CCN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC2)CC1 ZINC000475799491 567279107 /nfs/dbraw/zinc/27/91/07/567279107.db2.gz 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391.196 3.104 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548414002 567313885 /nfs/dbraw/zinc/31/38/85/567313885.db2.gz VEOIYCCZYDQAMV-UHFFFAOYSA-N 0 0 383.177 3.048 20 30 GGEDRN C=C(C)CN(CC)C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000455865944 567314203 /nfs/dbraw/zinc/31/42/03/567314203.db2.gz ABONIIFAPBSAGK-UHFFFAOYSA-N 0 0 396.333 3.026 20 30 GGEDRN C[C@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC2(CCCC2)O1 ZINC000592109827 567314356 /nfs/dbraw/zinc/31/43/56/567314356.db2.gz DJWQGLHNWDQRCX-LBPRGKRZSA-N 0 0 399.310 3.043 20 30 GGEDRN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)N1CC(C(F)(F)F)C1 ZINC000639647467 567314431 /nfs/dbraw/zinc/31/44/31/567314431.db2.gz UZGDBNSRNAIGQL-UHFFFAOYSA-N 0 0 375.244 3.387 20 30 GGEDRN Cc1cccc2c1CN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)CC2 ZINC000500343673 567314529 /nfs/dbraw/zinc/31/45/29/567314529.db2.gz RPMJCKLGQVVUFW-UHFFFAOYSA-N 0 0 398.260 3.153 20 30 GGEDRN C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC2(CCCC2)O1 ZINC000592109854 567315064 /nfs/dbraw/zinc/31/50/64/567315064.db2.gz FKZLGNMEVLBWJX-GFCCVEGCSA-N 0 0 399.310 3.043 20 30 GGEDRN COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1ccc(C#N)s1 ZINC000500360788 567316098 /nfs/dbraw/zinc/31/60/98/567316098.db2.gz HDGQHJCOUZKMAL-AWEZNQCLSA-N 0 0 393.262 3.369 20 30 GGEDRN CN1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)c2ccc(F)cc21 ZINC000548447686 567316381 /nfs/dbraw/zinc/31/63/81/567316381.db2.gz POHMPQDVPXNMMC-UHFFFAOYSA-N 0 0 379.844 3.386 20 30 GGEDRN N#CC[C@H](CC(=O)Nc1ccncc1I)c1ccccc1 ZINC000476355882 567317084 /nfs/dbraw/zinc/31/70/84/567317084.db2.gz QXKQKXGTNDAFOC-CYBMUJFWSA-N 0 0 391.212 3.134 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476355620 567317736 /nfs/dbraw/zinc/31/77/36/567317736.db2.gz PQLOTLUYSQUXMJ-UHFFFAOYSA-N 0 0 397.204 3.058 20 30 GGEDRN C=C(C)[C@H](CC(=O)N(C)[C@H](C(=O)OC)c1cccc(Br)c1)OCC ZINC000500383481 567317947 /nfs/dbraw/zinc/31/79/47/567317947.db2.gz YVYOPPWPHMNBDK-RDJZCZTQSA-N 0 0 398.297 3.493 20 30 GGEDRN N#CC[C@]1(O)CCN(Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000592146307 567318105 /nfs/dbraw/zinc/31/81/05/567318105.db2.gz BKGWRRVDAPTALV-INIZCTEOSA-N 0 0 378.295 3.423 20 30 GGEDRN N#CC[C@@]1(O)CCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000592149267 567318368 /nfs/dbraw/zinc/31/83/68/567318368.db2.gz LXSQOEPAFKJKEK-FUHWJXTLSA-N 0 0 382.291 3.007 20 30 GGEDRN C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@](O)(CC#N)C1 ZINC000592146810 567318525 /nfs/dbraw/zinc/31/85/25/567318525.db2.gz KRQLNPARNAZCHQ-MEBBXXQBSA-N 0 0 375.778 3.036 20 30 GGEDRN N#Cc1ccc(NC(=O)c2ccnc(O[C@H]3CCOC3)c2)cc1Br ZINC000568322178 567319712 /nfs/dbraw/zinc/31/97/12/567319712.db2.gz QRAGUWRFZLAUJN-AWEZNQCLSA-N 0 0 388.221 3.136 20 30 GGEDRN COCC[C@@](C)(C#N)NC(=O)c1cc(Br)sc1Br ZINC000568323422 567320254 /nfs/dbraw/zinc/32/02/54/567320254.db2.gz OPIUONIRXXABCF-NSHDSACASA-N 0 0 396.104 3.322 20 30 GGEDRN Cc1cc2c(o1)c(C(=O)NC[C@@H]1CCCN(CC#N)C1)ccc2Br ZINC000527204102 567320667 /nfs/dbraw/zinc/32/06/67/567320667.db2.gz ASBWDESLEXIBBL-ZDUSSCGKSA-N 0 0 390.281 3.469 20 30 GGEDRN C=CCN1CCC(NS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000500430163 567320880 /nfs/dbraw/zinc/32/08/80/567320880.db2.gz PHWLDCOVPPUSHY-UHFFFAOYSA-N 0 0 397.953 3.392 20 30 GGEDRN C=CCN(C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1)[C@@H](C)COC ZINC000617574917 567323127 /nfs/dbraw/zinc/32/31/27/567323127.db2.gz LCDZAXUHKNEFSD-SUMWQHHRSA-N 0 0 397.313 3.066 20 30 GGEDRN C=CCN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@H](C)COC ZINC000617579370 567323375 /nfs/dbraw/zinc/32/33/75/567323375.db2.gz BTQOHOOABCFJBH-GFCCVEGCSA-N 0 0 396.260 3.437 20 30 GGEDRN C=CCN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@@H](C)COC ZINC000617578706 567323389 /nfs/dbraw/zinc/32/33/89/567323389.db2.gz OZVXXXFTJSMLPW-ZDUSSCGKSA-N 0 0 378.270 3.298 20 30 GGEDRN C=CCN(C(=O)c1ccn(-c2ccc(Br)cc2)n1)[C@H](C)COC ZINC000617583499 567323736 /nfs/dbraw/zinc/32/37/36/567323736.db2.gz KALCZEHGZBNOCS-CYBMUJFWSA-N 0 0 378.270 3.298 20 30 GGEDRN C=CCN(C(=O)c1nnn(-c2cccc(Br)c2)c1C)[C@@H](C)COC 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C=CCN(C(=O)CSc1nncn1-c1cccc(Cl)c1)[C@H](C)COC ZINC000617576119 567324248 /nfs/dbraw/zinc/32/42/48/567324248.db2.gz MJPGTOONRKJCCA-CYBMUJFWSA-N 0 0 380.901 3.062 20 30 GGEDRN Cn1cc(C(=O)N[C@H](C#N)c2ccccc2Br)c2ccccc2c1=O ZINC000617607188 567324882 /nfs/dbraw/zinc/32/48/82/567324882.db2.gz VPUYDXOCEGKSRT-QGZVFWFLSA-N 0 0 396.244 3.296 20 30 GGEDRN C=C(C)CN(CC)C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000455959488 567325239 /nfs/dbraw/zinc/32/52/39/567325239.db2.gz VFXFMTBGERRGPQ-UHFFFAOYSA-N 0 0 383.290 3.111 20 30 GGEDRN C=CCCNC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC000617613952 567326844 /nfs/dbraw/zinc/32/68/44/567326844.db2.gz BXTNBOHFBOPJFK-UHFFFAOYSA-N 0 0 386.311 3.228 20 30 GGEDRN CC(C)[C@H](C#N)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000500503434 567327396 /nfs/dbraw/zinc/32/73/96/567327396.db2.gz ZDLPEKHTUQFZBJ-JTQLQIEISA-N 0 0 385.205 3.294 20 30 GGEDRN C=CCSCCNC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000500512760 567327552 /nfs/dbraw/zinc/32/75/52/567327552.db2.gz 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ZINC000476509838 567331033 /nfs/dbraw/zinc/33/10/33/567331033.db2.gz MJRLWUGJJRLLFF-UHFFFAOYSA-N 0 0 379.214 3.448 20 30 GGEDRN N#Cc1cccc(NC(=O)C(=O)N2CCCC[C@@H]2C2CCC2)c1Br ZINC000592319904 567331191 /nfs/dbraw/zinc/33/11/91/567331191.db2.gz XUBINBBHOXMHKS-OAHLLOKOSA-N 0 0 390.281 3.440 20 30 GGEDRN C=CCN(CC=C)C(=O)[C@@H](C)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000500589383 567332339 /nfs/dbraw/zinc/33/23/39/567332339.db2.gz HOJKTBJJLHZXRJ-QAPCUYQASA-N 0 0 393.325 3.412 20 30 GGEDRN CN(CCn1cc(Br)cn1)C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000456033364 567333557 /nfs/dbraw/zinc/33/35/57/567333557.db2.gz BXESEGHYCVUZIG-UHFFFAOYSA-N 0 0 389.297 3.245 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC000476539160 567333889 /nfs/dbraw/zinc/33/38/89/567333889.db2.gz TYWGMCKTXKLLCG-CQSZACIVSA-N 0 0 396.299 3.422 20 30 GGEDRN C=CC[C@H]1CCCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC000617782128 567334344 /nfs/dbraw/zinc/33/43/44/567334344.db2.gz YWXXQDBNGMSYRL-LBPRGKRZSA-N 0 0 386.311 3.281 20 30 GGEDRN C=CC[C@@H]1CCCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)C1 ZINC000617785559 567335257 /nfs/dbraw/zinc/33/52/57/567335257.db2.gz LKOOZXNOEZZMGT-CYBMUJFWSA-N 0 0 386.311 3.038 20 30 GGEDRN N#CC1(NC(=O)CNc2cc(Br)cc(C(F)(F)F)c2)CCC1 ZINC000527367541 567335349 /nfs/dbraw/zinc/33/53/49/567335349.db2.gz BIHHIMSTJPBDOL-UHFFFAOYSA-N 0 0 376.176 3.442 20 30 GGEDRN CCn1c(SCC(=O)NC2(C#N)CCC2)nnc1-c1cccc(Cl)c1 ZINC000527369327 567335465 /nfs/dbraw/zinc/33/54/65/567335465.db2.gz KEVSWWCMNKCEHQ-UHFFFAOYSA-N 0 0 375.885 3.273 20 30 GGEDRN COC(=O)c1cc(NC(=O)c2cc(O)cc(C#N)c2)cc(Br)c1F ZINC000617799693 567337031 /nfs/dbraw/zinc/33/70/31/567337031.db2.gz CDMYTCFPIIHWJW-UHFFFAOYSA-N 0 0 393.168 3.204 20 30 GGEDRN CSc1cc(Br)ccc1CN(CCC#N)CCN1CCOCC1 ZINC000434982346 567337151 /nfs/dbraw/zinc/33/71/51/567337151.db2.gz OXRDCYGZNZNPPO-UHFFFAOYSA-N 0 0 398.370 3.219 20 30 GGEDRN C[C@H](NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)[C@@H](O)C(F)(F)F ZINC000640005124 567337814 /nfs/dbraw/zinc/33/78/14/567337814.db2.gz YSISGYYNGPLFMA-URUOUCFMSA-N 0 0 380.235 3.179 20 30 GGEDRN C[C@H](NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)[C@H](O)C(F)(F)F ZINC000640005122 567337985 /nfs/dbraw/zinc/33/79/85/567337985.db2.gz YSISGYYNGPLFMA-DWFIKQFRSA-N 0 0 380.235 3.179 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)NCc2sccc2Br)c1 ZINC000500692679 567340156 /nfs/dbraw/zinc/34/01/56/567340156.db2.gz CRPCLPZLORPBAK-UHFFFAOYSA-N 0 0 389.271 3.141 20 30 GGEDRN C=CCOCCNC(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000661007638 567340326 /nfs/dbraw/zinc/34/03/26/567340326.db2.gz NUHNIJVPVCETAE-CJNGLKHVSA-N 0 0 383.286 3.123 20 30 GGEDRN COCCOc1cccc(CC(=O)Nc2nc(C)c(SCC#N)s2)c1 ZINC000435067787 567340850 /nfs/dbraw/zinc/34/08/50/567340850.db2.gz SSFCUUWZWRDZAG-UHFFFAOYSA-N 0 0 377.491 3.274 20 30 GGEDRN C=CC(C)(C)CNC(=O)c1cnc2ccc(I)cc2c1O ZINC000456113846 567343032 /nfs/dbraw/zinc/34/30/32/567343032.db2.gz HUEPUKPPCYOWLS-UHFFFAOYSA-N 0 0 396.228 3.075 20 30 GGEDRN N#CC[C@@]1(O)CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000592521731 567344092 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/nfs/dbraw/zinc/40/91/66/567409166.db2.gz ROKNZBKYUDFGDA-QGZVFWFLSA-N 0 0 391.290 3.428 20 30 GGEDRN N#Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000618715159 567409230 /nfs/dbraw/zinc/40/92/30/567409230.db2.gz ARPDMIBDHUZCRT-AWEZNQCLSA-N 0 0 377.809 3.086 20 30 GGEDRN N#Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1ccc(F)cc1Br ZINC000618715381 567409714 /nfs/dbraw/zinc/40/97/14/567409714.db2.gz DQDTVXQPDQGJFO-OAHLLOKOSA-N 0 0 395.253 3.426 20 30 GGEDRN C[C@H](CCc1ccc(I)cc1)NC(=O)c1cc(C#N)c[nH]1 ZINC000477696731 567410192 /nfs/dbraw/zinc/41/01/92/567410192.db2.gz SARCTELSOMTDGV-LLVKDONJSA-N 0 0 393.228 3.242 20 30 GGEDRN N#CC1(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CCC1 ZINC000501894396 567411601 /nfs/dbraw/zinc/41/16/01/567411601.db2.gz ODKDDUPEMXDFGM-UHFFFAOYSA-N 0 0 388.221 3.470 20 30 GGEDRN CC[C@@H](C#N)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000593443513 567413276 /nfs/dbraw/zinc/41/32/76/567413276.db2.gz KJYYQKDYIGDBMT-LBPRGKRZSA-N 0 0 378.270 3.176 20 30 GGEDRN COC(=O)c1cc(Br)ccc1NC(=O)N1CCC(F)(C#N)CC1 ZINC000477757310 567413599 /nfs/dbraw/zinc/41/35/99/567413599.db2.gz BHBJTDGOHRNQOO-UHFFFAOYSA-N 0 0 384.205 3.095 20 30 GGEDRN C=CCCCN(C)C(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000477765128 567415053 /nfs/dbraw/zinc/41/50/53/567415053.db2.gz APWLTVUUPKKCTE-UHFFFAOYSA-N 0 0 393.325 3.412 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)c1cc(Br)c(OCCC)c(OC)c1 ZINC000456754895 567415269 /nfs/dbraw/zinc/41/52/69/567415269.db2.gz JFJAPBRDRNBRGT-CYBMUJFWSA-N 0 0 386.286 3.303 20 30 GGEDRN N#Cc1ccccc1OC[C@@H](O)CN1CCc2c(Br)cccc2C1 ZINC000528364706 567415428 /nfs/dbraw/zinc/41/54/28/567415428.db2.gz JRLUEXFUGJNNHA-INIZCTEOSA-N 0 0 387.277 3.119 20 30 GGEDRN CN(C)c1ncc(Br)cc1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618785150 567415532 /nfs/dbraw/zinc/41/55/32/567415532.db2.gz ZAMHSSNGXSVKNY-MRXNPFEDSA-N 0 0 385.265 3.199 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000456752571 567415625 /nfs/dbraw/zinc/41/56/25/567415625.db2.gz CIOAEUGYKJTHCU-CZUORRHYSA-N 0 0 385.291 3.041 20 30 GGEDRN C=CCC[C@@H](CO)NC(=O)CCOc1ccc(Cl)cc1Br ZINC000456766949 567416196 /nfs/dbraw/zinc/41/61/96/567416196.db2.gz JASWHKVEMUAMPT-LBPRGKRZSA-N 0 0 376.678 3.315 20 30 GGEDRN CC1(C)CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@](C)(C(F)(F)F)O1 ZINC000549903686 567416340 /nfs/dbraw/zinc/41/63/40/567416340.db2.gz MLDKQMNUIKSOHE-AWEZNQCLSA-N 0 0 396.818 3.332 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000456760124 567416462 /nfs/dbraw/zinc/41/64/62/567416462.db2.gz SWFNARUSCVCXGT-CZUORRHYSA-N 0 0 385.291 3.041 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)c1cn(-c2ccc(Br)cc2)nc1C ZINC000456767217 567416519 /nfs/dbraw/zinc/41/65/19/567416519.db2.gz MLTSFVLBWIGLGK-CQSZACIVSA-N 0 0 378.270 3.000 20 30 GGEDRN C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccc(Br)cn1 ZINC000477773775 567416655 /nfs/dbraw/zinc/41/66/55/567416655.db2.gz BUDPKMNPGVYKKJ-WFASDCNBSA-N 0 0 383.249 3.275 20 30 GGEDRN C=CCC[C@@H](CO)NC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000456766354 567416899 /nfs/dbraw/zinc/41/68/99/567416899.db2.gz IJANJPWCUVMNJW-HNNXBMFYSA-N 0 0 392.297 3.309 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(I)cc1 ZINC000436267469 567417517 /nfs/dbraw/zinc/41/75/17/567417517.db2.gz CZSIGKOKYYYTKY-SMDDNHRTSA-N 0 0 386.233 3.394 20 30 GGEDRN CC(C)OCc1nc([C@H](C)NCc2cc(C#N)ccc2Br)no1 ZINC000569630746 567417896 /nfs/dbraw/zinc/41/78/96/567417896.db2.gz RQSXEGZOYXMBAJ-NSHDSACASA-N 0 0 379.258 3.480 20 30 GGEDRN C=C(CC)CNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Br ZINC000456824004 567419160 /nfs/dbraw/zinc/41/91/60/567419160.db2.gz CLIFLCPQBWGYRJ-OAHLLOKOSA-N 0 0 399.354 3.383 20 30 GGEDRN N#Cc1cc([N+](=O)[O-])cnc1N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000593487491 567419248 /nfs/dbraw/zinc/41/92/48/567419248.db2.gz QANWGGWNGIWQSY-UHFFFAOYSA-N 0 0 378.219 3.495 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000549933029 567419870 /nfs/dbraw/zinc/41/98/70/567419870.db2.gz SDJLSDFEPFCBRX-QGZVFWFLSA-N 0 0 376.865 3.362 20 30 GGEDRN CC(C)(C(=O)NCC#Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000477798971 567419888 /nfs/dbraw/zinc/41/98/88/567419888.db2.gz YNRGVHFKODRPRI-UHFFFAOYSA-N 0 0 375.877 3.060 20 30 GGEDRN C=C(CC)CNC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 ZINC000456824327 567420019 /nfs/dbraw/zinc/42/00/19/567420019.db2.gz DYHXCVIVXWWPSV-UHFFFAOYSA-N 0 0 398.282 3.376 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)c(F)c1 ZINC000549929959 567420060 /nfs/dbraw/zinc/42/00/60/567420060.db2.gz BQGUVANQEOWCLL-HNNXBMFYSA-N 0 0 380.828 3.193 20 30 GGEDRN C=CCn1c(SCC2(CS(C)(=O)=O)CC2)nnc1-c1ccccc1C ZINC000502127014 567420274 /nfs/dbraw/zinc/42/02/74/567420274.db2.gz LIIHWCVCUOMPIC-UHFFFAOYSA-N 0 0 377.535 3.356 20 30 GGEDRN Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)c(Br)c1 ZINC000618881445 567420392 /nfs/dbraw/zinc/42/03/92/567420392.db2.gz ZECQACDPVITFSF-INIZCTEOSA-N 0 0 398.260 3.371 20 30 GGEDRN N#Cc1cc(O)cc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000618881720 567420735 /nfs/dbraw/zinc/42/07/35/567420735.db2.gz MRZSNVWEBBBSCU-HNNXBMFYSA-N 0 0 386.249 3.035 20 30 GGEDRN C=C(CC)CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000456832500 567420787 /nfs/dbraw/zinc/42/07/87/567420787.db2.gz XNDIBDOKPPYAKY-AWEZNQCLSA-N 0 0 384.263 3.281 20 30 GGEDRN Cc1ccc(I)cc1N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000477814891 567420879 /nfs/dbraw/zinc/42/08/79/567420879.db2.gz BAHHTCWFNAGAPL-LRDDRELGSA-N 0 0 399.276 3.455 20 30 GGEDRN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C(=O)Nc1ccccc1Br ZINC000618880256 567420875 /nfs/dbraw/zinc/42/08/75/567420875.db2.gz GJKRDQKNYIRNSF-OAHLLOKOSA-N 0 0 384.233 3.063 20 30 GGEDRN C=C(CC)CNC(=O)c1cc(OC)c(OC)cc1I ZINC000456832432 567420932 /nfs/dbraw/zinc/42/09/32/567420932.db2.gz XFDKPDDIHULHGH-UHFFFAOYSA-N 0 0 375.206 3.004 20 30 GGEDRN N#Cc1ccccc1OC[C@@H](O)CN1CCc2sc(Br)cc2C1 ZINC000528424902 567421254 /nfs/dbraw/zinc/42/12/54/567421254.db2.gz OIQFPOHEDVPSKO-AWEZNQCLSA-N 0 0 393.306 3.180 20 30 GGEDRN C=CCn1c(SCC2CCS(=O)(=O)CC2)nnc1-c1ccccc1F ZINC000502139024 567421315 /nfs/dbraw/zinc/42/13/15/567421315.db2.gz PVGYOJQMLNYZCB-UHFFFAOYSA-N 0 0 381.498 3.187 20 30 GGEDRN Cc1cocc1C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000528425691 567421448 /nfs/dbraw/zinc/42/14/48/567421448.db2.gz IMTOIBYSWNYGNF-QGZVFWFLSA-N 0 0 388.265 3.373 20 30 GGEDRN N#Cc1ccccc1OC[C@H](O)CN1CCc2sc(Br)cc2C1 ZINC000528424905 567421520 /nfs/dbraw/zinc/42/15/20/567421520.db2.gz OIQFPOHEDVPSKO-CQSZACIVSA-N 0 0 393.306 3.180 20 30 GGEDRN Cc1cnn(C[C@@H]2CN(c3c(Br)cc(Cl)cc3C#N)CCO2)c1 ZINC000618897847 567421898 /nfs/dbraw/zinc/42/18/98/567421898.db2.gz VWTXROFQEDICMF-AWEZNQCLSA-N 0 0 395.688 3.385 20 30 GGEDRN C=C(C)[C@H](CC(=O)N1CCN(c2cccc(Br)c2)CC1)OCC ZINC000549959041 567422188 /nfs/dbraw/zinc/42/21/88/567422188.db2.gz MAAJZFLZNCINLP-KRWDZBQOSA-N 0 0 381.314 3.469 20 30 GGEDRN C=CCOc1c(Br)cc(CN[C@@H](C)c2ncn(C)n2)cc1OCC ZINC000436404425 567422272 /nfs/dbraw/zinc/42/22/72/567422272.db2.gz DEUCOPPWSWPMPO-LBPRGKRZSA-N 0 0 395.301 3.392 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ncc(OC)cn1 ZINC000549958878 567422341 /nfs/dbraw/zinc/42/23/41/567422341.db2.gz IQYCURMAFNCJET-UHFFFAOYSA-N 0 0 380.217 3.215 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000593536800 567422539 /nfs/dbraw/zinc/42/25/39/567422539.db2.gz BPLRKOKZDXGQMP-UHFFFAOYSA-N 0 0 378.881 3.190 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cccc(C(=O)OC)c1Br ZINC000436405131 567422897 /nfs/dbraw/zinc/42/28/97/567422897.db2.gz AKXYDLWOKXXERT-XHDPSFHLSA-N 0 0 397.269 3.338 20 30 GGEDRN C=CCOc1c(Br)cc(CN[C@H](C)c2ncn(C)n2)cc1OCC ZINC000436404424 567422976 /nfs/dbraw/zinc/42/29/76/567422976.db2.gz DEUCOPPWSWPMPO-GFCCVEGCSA-N 0 0 395.301 3.392 20 30 GGEDRN N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000569674175 567423199 /nfs/dbraw/zinc/42/31/99/567423199.db2.gz FRASXSUAIWKNFY-MJXNMMHHSA-N 0 0 383.245 3.154 20 30 GGEDRN COc1cc(Br)cc(S(=O)(=O)N(C2CC2)C2(C#N)CCC2)c1 ZINC000618906592 567423635 /nfs/dbraw/zinc/42/36/35/567423635.db2.gz NXMZDBSVZYDEFC-UHFFFAOYSA-N 0 0 385.283 3.057 20 30 GGEDRN C[C@H]1CO[C@@H](c2ccccc2Cl)CN1S(=O)(=O)c1ccsc1C#N ZINC000593545689 567423687 /nfs/dbraw/zinc/42/36/87/567423687.db2.gz OXYVCLKBPGFRKC-SMDDNHRTSA-N 0 0 382.894 3.424 20 30 GGEDRN CCN(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000477885557 567424665 /nfs/dbraw/zinc/42/46/65/567424665.db2.gz BOLANYKQQSSEQF-UHFFFAOYSA-N 0 0 377.853 3.104 20 30 GGEDRN CC(C)(CNC(=O)COc1cccc(Br)c1C#N)C1(O)CCCC1 ZINC000456899777 567425012 /nfs/dbraw/zinc/42/50/12/567425012.db2.gz KYACUNTYDLEHBY-UHFFFAOYSA-N 0 0 395.297 3.147 20 30 GGEDRN N#Cc1ccccc1OC[C@@H](O)CN1CCc2cc(Br)ccc2C1 ZINC000528468939 567427804 /nfs/dbraw/zinc/42/78/04/567427804.db2.gz FZJWWVVXSCYMBD-SFHVURJKSA-N 0 0 387.277 3.119 20 30 GGEDRN Cc1cccc2c1CCN2S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000618959319 567428188 /nfs/dbraw/zinc/42/81/88/567428188.db2.gz BFOSAVRMVVPBTE-UHFFFAOYSA-N 0 0 377.263 3.381 20 30 GGEDRN COc1ccc(C)cc1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000618988378 567429360 /nfs/dbraw/zinc/42/93/60/567429360.db2.gz FDSDSIPIUOCSGC-UHFFFAOYSA-N 0 0 395.278 3.116 20 30 GGEDRN CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@H](CC)CO1 ZINC000593630199 567429371 /nfs/dbraw/zinc/42/93/71/567429371.db2.gz SPGAGEDUDJFTKG-CHWSQXEVSA-N 0 0 376.400 3.155 20 30 GGEDRN N#CCC1(CS(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000593625709 567429681 /nfs/dbraw/zinc/42/96/81/567429681.db2.gz ZYKBVEQYJXYUGZ-UHFFFAOYSA-N 0 0 388.320 3.139 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N(C)[C@@H](C)CSc1ccccc1 ZINC000593625786 567430060 /nfs/dbraw/zinc/43/00/60/567430060.db2.gz QAXJDWCUJMIMED-AWEZNQCLSA-N 0 0 376.503 3.368 20 30 GGEDRN N#CCCCCS(=O)(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000593624884 567430068 /nfs/dbraw/zinc/43/00/68/567430068.db2.gz KWCHUQYRASFVKA-UHFFFAOYSA-N 0 0 376.309 3.139 20 30 GGEDRN CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)[C@H](CC)CO1 ZINC000593628824 567430145 /nfs/dbraw/zinc/43/01/45/567430145.db2.gz BKWMIDUBQWJTNM-ZIAGYGMSSA-N 0 0 376.400 3.155 20 30 GGEDRN CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@H](CC)CO1 ZINC000593630209 567431319 /nfs/dbraw/zinc/43/13/19/567431319.db2.gz SVJPCXKTCHDLFZ-CHWSQXEVSA-N 0 0 376.400 3.155 20 30 GGEDRN CC[C@@H]1CO[C@@H](CC)CN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000593630210 567431328 /nfs/dbraw/zinc/43/13/28/567431328.db2.gz SVJPCXKTCHDLFZ-OLZOCXBDSA-N 0 0 376.400 3.155 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCc1cccc(F)c1 ZINC000550184317 567432042 /nfs/dbraw/zinc/43/20/42/567432042.db2.gz RVODFKJNHCDZRD-UHFFFAOYSA-N 0 0 380.872 3.414 20 30 GGEDRN C[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)c2cc(Cl)ccc2O1 ZINC000478018967 567432474 /nfs/dbraw/zinc/43/24/74/567432474.db2.gz QYFYYUQWUDMCBO-ZDUSSCGKSA-N 0 0 376.865 3.273 20 30 GGEDRN COc1cc(C(=O)Nc2cc(C)nn2CCC#N)cc(Br)c1OC ZINC000550177933 567432574 /nfs/dbraw/zinc/43/25/74/567432574.db2.gz SUINDGIKUQFNDD-UHFFFAOYSA-N 0 0 393.241 3.137 20 30 GGEDRN N#Cc1cccc(CN2CCC(NS(=O)(=O)c3sccc3Cl)CC2)c1 ZINC000593668041 567433183 /nfs/dbraw/zinc/43/31/83/567433183.db2.gz COOXPCWYPKLVBA-UHFFFAOYSA-N 0 0 395.937 3.216 20 30 GGEDRN C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)[C@H]1C ZINC000550218122 567433638 /nfs/dbraw/zinc/43/36/38/567433638.db2.gz XVNODVDONFQSRE-ZETOZRRWSA-N 0 0 378.270 3.200 20 30 GGEDRN C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)c1ccccc1 ZINC000550219283 567433954 /nfs/dbraw/zinc/43/39/54/567433954.db2.gz KDAQCPJODABFRB-LBPRGKRZSA-N 0 0 386.249 3.179 20 30 GGEDRN Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC1(C#N)CCCC1 ZINC000593672906 567434399 /nfs/dbraw/zinc/43/43/99/567434399.db2.gz OJEIUNCFVFTNOB-UHFFFAOYSA-N 0 0 378.270 3.205 20 30 GGEDRN CS[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000593676523 567434648 /nfs/dbraw/zinc/43/46/48/567434648.db2.gz MUAKNOSQENKOSU-UKRRQHHQSA-N 0 0 377.535 3.421 20 30 GGEDRN CS[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000593674805 567434895 /nfs/dbraw/zinc/43/48/95/567434895.db2.gz DIBWEEJJRHIBLV-ZIAGYGMSSA-N 0 0 396.310 3.050 20 30 GGEDRN C=CCC1(NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CCCC1 ZINC000619111400 567435038 /nfs/dbraw/zinc/43/50/38/567435038.db2.gz WBNIZPVZIGXKQS-UHFFFAOYSA-N 0 0 386.311 3.471 20 30 GGEDRN C=CCC1(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CCCC1 ZINC000619105751 567435111 /nfs/dbraw/zinc/43/51/11/567435111.db2.gz IMYHPDKSZSBRIZ-UHFFFAOYSA-N 0 0 382.551 3.080 20 30 GGEDRN C=CCC1(NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CCCC1 ZINC000619107001 567435133 /nfs/dbraw/zinc/43/51/33/567435133.db2.gz XVFCDGDVBAFDBU-UHFFFAOYSA-N 0 0 391.320 3.277 20 30 GGEDRN C[C@@H]1CC(F)(F)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000528546754 567435316 /nfs/dbraw/zinc/43/53/16/567435316.db2.gz DPIKAVBXDFAOME-MRVPVSSYSA-N 0 0 397.216 3.268 20 30 GGEDRN C[C@@H]1CC(F)(F)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000528547490 567435400 /nfs/dbraw/zinc/43/54/00/567435400.db2.gz GTBVANXKHBUERT-SECBINFHSA-N 0 0 379.226 3.129 20 30 GGEDRN CC(C)C[C@](C)(C#N)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000502456506 567435472 /nfs/dbraw/zinc/43/54/72/567435472.db2.gz 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567437761 /nfs/dbraw/zinc/43/77/61/567437761.db2.gz UOOYLANPWNAWTL-MGPLVRAMSA-N 0 0 393.262 3.121 20 30 GGEDRN C[C@H](CO)NC(=O)c1ccc(NCc2ccc(Br)cc2C#N)cc1 ZINC000569851986 567438018 /nfs/dbraw/zinc/43/80/18/567438018.db2.gz KPCNDBJGEGPDKM-GFCCVEGCSA-N 0 0 388.265 3.043 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N[C@H]2CCCc3occc32)ccc1Br ZINC000550283487 567438005 /nfs/dbraw/zinc/43/80/05/567438005.db2.gz DTJYPMHKSFJQSN-AWEZNQCLSA-N 0 0 388.221 3.046 20 30 GGEDRN Cc1cccc(CN(C)C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)c1 ZINC000550290364 567438572 /nfs/dbraw/zinc/43/85/72/567438572.db2.gz SNRBTFAHDBORSL-UHFFFAOYSA-N 0 0 386.249 3.226 20 30 GGEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(Br)ccc1O ZINC000436628914 567438908 /nfs/dbraw/zinc/43/89/08/567438908.db2.gz HVFUMTDLXVIYDU-UHFFFAOYSA-N 0 0 380.238 3.459 20 30 GGEDRN N#C[C@@H]1N(C(=O)Cc2cccc(Br)c2)CCC[C@]12CCCCO2 ZINC000619241361 567439696 /nfs/dbraw/zinc/43/96/96/567439696.db2.gz TWQYICHUEBOIQS-FUHWJXTLSA-N 0 0 377.282 3.445 20 30 GGEDRN N#Cc1ccc(CN2CCNC(=O)[C@H]2c2ccccc2Br)c(F)c1 ZINC000502530340 567441003 /nfs/dbraw/zinc/44/10/03/567441003.db2.gz KPFZFXZAUNSECL-QGZVFWFLSA-N 0 0 388.240 3.133 20 30 GGEDRN N#Cc1ccc(F)cc1CN1CCNC(=O)[C@H]1c1ccccc1Br ZINC000502542901 567441078 /nfs/dbraw/zinc/44/10/78/567441078.db2.gz GQPKRQJFQIPVOT-QGZVFWFLSA-N 0 0 388.240 3.133 20 30 GGEDRN N#Cc1cc(O)cc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 ZINC000619243796 567441202 /nfs/dbraw/zinc/44/12/02/567441202.db2.gz GGXWVLBBDUXWLG-UHFFFAOYSA-N 0 0 399.204 3.006 20 30 GGEDRN Cc1cc(C#N)cnc1C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000550336097 567441724 /nfs/dbraw/zinc/44/17/24/567441724.db2.gz SFQZNXCCFFKJTD-INIZCTEOSA-N 0 0 386.249 3.238 20 30 GGEDRN COc1ccc([C@@H](NS(=O)(=O)c2cccc(Cl)c2C#N)C2CC2)cn1 ZINC000528590112 567441977 /nfs/dbraw/zinc/44/19/77/567441977.db2.gz IEZIUCILTDLHAS-KRWDZBQOSA-N 0 0 377.853 3.045 20 30 GGEDRN N#Cc1ccc(F)c(CN2CCNC(=O)[C@H]2c2ccccc2Br)c1 ZINC000502548533 567442035 /nfs/dbraw/zinc/44/20/35/567442035.db2.gz 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N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]1c1ccncc1 ZINC000550435943 567448362 /nfs/dbraw/zinc/44/83/62/567448362.db2.gz XGYJCMIWMDJZQM-OAHLLOKOSA-N 0 0 392.278 3.242 20 30 GGEDRN Cc1ccc(I)cc1NCC(=O)NC1(C#N)CCCCC1 ZINC000478363206 567449588 /nfs/dbraw/zinc/44/95/88/567449588.db2.gz RLOSOHDGPLJOJT-UHFFFAOYSA-N 0 0 397.260 3.354 20 30 GGEDRN Cc1ccc(I)cc1NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000478363912 567449784 /nfs/dbraw/zinc/44/97/84/567449784.db2.gz AGMKQKNRKAVYNM-HNNXBMFYSA-N 0 0 385.249 3.066 20 30 GGEDRN N#Cc1ccc2c(c1)N(C(=O)Cc1ccccc1I)CC2 ZINC000550523523 567451100 /nfs/dbraw/zinc/45/11/00/567451100.db2.gz SLYVSRLFPYUCPV-UHFFFAOYSA-N 0 0 388.208 3.295 20 30 GGEDRN CO[C@@H](C(=O)Nc1cc(C)nn1CCC#N)c1ccccc1Br ZINC000593968365 567451134 /nfs/dbraw/zinc/45/11/34/567451134.db2.gz CNBDJQQXESWQKM-OAHLLOKOSA-N 0 0 377.242 3.194 20 30 GGEDRN N#Cc1ccc(OCC(=O)N2CCOc3c(Br)cccc3C2)cc1 ZINC000619419704 567451338 /nfs/dbraw/zinc/45/13/38/567451338.db2.gz XSCRPIRORZWBHF-UHFFFAOYSA-N 0 0 387.233 3.121 20 30 GGEDRN CCC1(CC)CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000550542145 567451427 /nfs/dbraw/zinc/45/14/27/567451427.db2.gz BELSNTJXHVXSDY-UHFFFAOYSA-N 0 0 378.270 3.298 20 30 GGEDRN CC(C)S(=O)(=O)c1ccc(C[S@@](=O)Cc2ccc(C#N)c(F)c2)cc1 ZINC000478390104 567452116 /nfs/dbraw/zinc/45/21/16/567452116.db2.gz SKUQDQIXKUMZEY-XMMPIXPASA-N 0 0 379.478 3.328 20 30 GGEDRN CC(C)(C)C1=CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000550576021 567453075 /nfs/dbraw/zinc/45/30/75/567453075.db2.gz CQHZBKQKRWMRGI-UHFFFAOYSA-N 0 0 390.281 3.464 20 30 GGEDRN COc1c(C(=O)N[C@H](C#N)c2ccccc2Br)cccc1[N+](=O)[O-] ZINC000619436217 567453135 /nfs/dbraw/zinc/45/31/35/567453135.db2.gz FEHHXUUCVBBCNK-CYBMUJFWSA-N 0 0 390.193 3.361 20 30 GGEDRN C=CCN(CCn1ccc([N+](=O)[O-])n1)Cc1cc(Br)ccc1F ZINC000478418283 567453271 /nfs/dbraw/zinc/45/32/71/567453271.db2.gz SQZWOXATDOCTSP-UHFFFAOYSA-N 0 0 383.221 3.381 20 30 GGEDRN CN(C)c1cc(C#N)cc(C(=O)NCc2ccc(Br)c(F)c2)c1 ZINC000550630158 567453550 /nfs/dbraw/zinc/45/35/50/567453550.db2.gz VZRBMDUNLILAGU-UHFFFAOYSA-N 0 0 376.229 3.456 20 30 GGEDRN C=CCCOCC(=O)N[C@H](C)CCc1ccc(I)cc1 ZINC000619450981 567454040 /nfs/dbraw/zinc/45/40/40/567454040.db2.gz JXUNYZYFUTYHSA-CYBMUJFWSA-N 0 0 387.261 3.321 20 30 GGEDRN CCc1ccc([C@H](C#N)N(C)C(=O)CCn2cc(Br)cn2)cc1 ZINC000594029473 567453964 /nfs/dbraw/zinc/45/39/64/567453964.db2.gz UMXMNIFZVVEYQK-INIZCTEOSA-N 0 0 375.270 3.321 20 30 GGEDRN C=CCCOCC(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000619450982 567454551 /nfs/dbraw/zinc/45/45/51/567454551.db2.gz JXUNYZYFUTYHSA-ZDUSSCGKSA-N 0 0 387.261 3.321 20 30 GGEDRN CC(C)(C)c1noc(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)n1 ZINC000502816679 567454869 /nfs/dbraw/zinc/45/48/69/567454869.db2.gz DJHSBYXLAFAUBA-UHFFFAOYSA-N 0 0 387.237 3.364 20 30 GGEDRN Cc1ccc(C[C@H](CO)NC(=O)c2cccc(C#N)c2Br)cc1C ZINC000457301956 567455092 /nfs/dbraw/zinc/45/50/92/567455092.db2.gz UIMJSMBGFRDYCT-MRXNPFEDSA-N 0 0 387.277 3.271 20 30 GGEDRN CCOc1cccc(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)c1 ZINC000550646592 567455604 /nfs/dbraw/zinc/45/56/04/567455604.db2.gz HRAJQUCBFMINQH-UHFFFAOYSA-N 0 0 388.221 3.297 20 30 GGEDRN N#CCc1cccc(S(=O)(=O)N2CCOc3ccc(Br)cc32)c1 ZINC000619463829 567455924 /nfs/dbraw/zinc/45/59/24/567455924.db2.gz LQSZPXMSCIIKTG-UHFFFAOYSA-N 0 0 393.262 3.103 20 30 GGEDRN Cc1ccc2c(ncc(C#N)c2N(C)CC(=O)N2CCCC2)c1Br ZINC000619474670 567457663 /nfs/dbraw/zinc/45/76/63/567457663.db2.gz QEQWADYZJIAJNA-UHFFFAOYSA-N 0 0 387.281 3.236 20 30 GGEDRN N#CCc1cccc(S(=O)(=O)NCCOc2cccc(Cl)c2Cl)c1 ZINC000619478553 567457887 /nfs/dbraw/zinc/45/78/87/567457887.db2.gz WCOSDVGKFRTBMK-UHFFFAOYSA-N 0 0 385.272 3.417 20 30 GGEDRN N#Cc1cccc(NCC(=O)N2CCC[C@H]2c2ccc(Br)cn2)c1 ZINC000457329121 567457960 /nfs/dbraw/zinc/45/79/60/567457960.db2.gz NSEPZPQDSSHQJL-KRWDZBQOSA-N 0 0 385.265 3.491 20 30 GGEDRN COc1cc(CN(C)S(=O)(=O)c2cccc(CC#N)c2)ccc1SC ZINC000619480160 567458680 /nfs/dbraw/zinc/45/86/80/567458680.db2.gz NLUNWMOBOVHIKJ-UHFFFAOYSA-N 0 0 376.503 3.304 20 30 GGEDRN CC[C@@H](C#N)N(C)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000594087885 567458803 /nfs/dbraw/zinc/45/88/03/567458803.db2.gz DYPMWSUIZNLISC-ZDUSSCGKSA-N 0 0 387.281 3.498 20 30 GGEDRN N#CCc1cccc(S(=O)(=O)NC2(c3cccc(Br)c3)CC2)c1 ZINC000619486516 567458796 /nfs/dbraw/zinc/45/87/96/567458796.db2.gz ZVSWPJARKZOELD-UHFFFAOYSA-N 0 0 391.290 3.483 20 30 GGEDRN CN(Cc1nc(C(F)(F)F)cs1)S(=O)(=O)c1cccc(CC#N)c1 ZINC000619488719 567458893 /nfs/dbraw/zinc/45/88/93/567458893.db2.gz XZUVZQKNMKIGCR-UHFFFAOYSA-N 0 0 375.397 3.049 20 30 GGEDRN Cc1cc(I)cc(NC(=O)COc2ccc(C#N)cc2)c1 ZINC000570101498 567458892 /nfs/dbraw/zinc/45/88/92/567458892.db2.gz REANOIZXRFNTDX-UHFFFAOYSA-N 0 0 392.196 3.489 20 30 GGEDRN N#CCc1cccc(S(=O)(=O)NCc2ccc(Br)c(F)c2)c1 ZINC000619479987 567458966 /nfs/dbraw/zinc/45/89/66/567458966.db2.gz YEYKEBXRSPPPIU-UHFFFAOYSA-N 0 0 383.242 3.133 20 30 GGEDRN CC[C@@H](C#N)N(C)C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000594087457 567459084 /nfs/dbraw/zinc/45/90/84/567459084.db2.gz FYUJDDULEKWVSM-JTQLQIEISA-N 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Cc1cccc2c1CC[C@@H]2NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000550783240 567461789 /nfs/dbraw/zinc/46/17/89/567461789.db2.gz UYXONJJUYUENNP-KRWDZBQOSA-N 0 0 398.260 3.371 20 30 GGEDRN CCOc1ccc(NC(=O)C(=O)Nc2sccc2C#N)cc1Br ZINC000550777534 567461909 /nfs/dbraw/zinc/46/19/09/567461909.db2.gz GMBDSCIIRHZQKU-UHFFFAOYSA-N 0 0 394.250 3.358 20 30 GGEDRN COC(=O)c1cccc(CN[C@H](CO)c2c(Cl)cccc2Cl)c1C#N ZINC000619516732 567461987 /nfs/dbraw/zinc/46/19/87/567461987.db2.gz QKZKQLMEXVNTAY-MRXNPFEDSA-N 0 0 379.243 3.475 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)s1 ZINC000619547087 567462873 /nfs/dbraw/zinc/46/28/73/567462873.db2.gz OTKCLOPBNKDNQZ-INIZCTEOSA-N 0 0 395.937 3.389 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000570157097 567463128 /nfs/dbraw/zinc/46/31/28/567463128.db2.gz WDYFBXZKNWPLPP-SJLPKXTDSA-N 0 0 376.865 3.017 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCCCc2cccc(Br)c2)s1 ZINC000619547534 567463501 /nfs/dbraw/zinc/46/35/01/567463501.db2.gz 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CC[C@@H](NS(=O)(=O)c1cncc(C#N)c1)c1cc(F)cc(Br)c1 ZINC000570204137 567465889 /nfs/dbraw/zinc/46/58/89/567465889.db2.gz BPFNWRYFJUHLPN-OAHLLOKOSA-N 0 0 398.257 3.284 20 30 GGEDRN CN(Cc1ccc(Br)cc1F)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000619569946 567465962 /nfs/dbraw/zinc/46/59/62/567465962.db2.gz SGQWYBJXFXJXDK-UHFFFAOYSA-N 0 0 397.269 3.422 20 30 GGEDRN CCN(CC)[C@H](CNS(=O)(=O)c1ccccc1CC#N)c1ccsc1 ZINC000619572545 567466335 /nfs/dbraw/zinc/46/63/35/567466335.db2.gz JDUMEDSDLXBDLJ-QGZVFWFLSA-N 0 0 377.535 3.176 20 30 GGEDRN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C(=O)Nc1sccc1C#N ZINC000550837938 567466649 /nfs/dbraw/zinc/46/66/49/567466649.db2.gz SCEFNCYGBRRCAF-QMTHXVAHSA-N 0 0 377.853 3.104 20 30 GGEDRN N#CCc1ccccc1S(=O)(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000619572164 567466725 /nfs/dbraw/zinc/46/67/25/567466725.db2.gz PZEMZIKYWJQHHL-MRXNPFEDSA-N 0 0 376.503 3.184 20 30 GGEDRN COC(=O)c1cc(NC(=O)c2cc(C#N)oc2C)c(Br)cc1F ZINC000619569879 567467052 /nfs/dbraw/zinc/46/70/52/567467052.db2.gz 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/nfs/dbraw/zinc/54/63/05/567546305.db2.gz MCONLWJSJHCXCW-UHFFFAOYSA-N 0 0 380.853 3.444 20 30 GGEDRN Cc1cc(C#N)cnc1C(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000551969750 567546622 /nfs/dbraw/zinc/54/66/22/567546622.db2.gz AMARVTYCVRUIAU-NVXWUHKLSA-N 0 0 376.243 3.299 20 30 GGEDRN N#Cc1ccc(CNC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000504789181 567546887 /nfs/dbraw/zinc/54/68/87/567546887.db2.gz CUEPFAQMABALLV-UHFFFAOYSA-N 0 0 376.865 3.082 20 30 GGEDRN C=CCC1(NC(=O)C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)CCCC1 ZINC000595181529 567546928 /nfs/dbraw/zinc/54/69/28/567546928.db2.gz FKHCBPRBPYAMOD-VWLOTQADSA-N 0 0 382.913 3.162 20 30 GGEDRN Cc1c(F)c(Br)ccc1NC(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000595184346 567547440 /nfs/dbraw/zinc/54/74/40/567547440.db2.gz BWYFCBIYSORAIQ-UHFFFAOYSA-N 0 0 396.260 3.425 20 30 GGEDRN Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000595183719 567547590 /nfs/dbraw/zinc/54/75/90/567547590.db2.gz UDNHTCOKAQFCTH-UHFFFAOYSA-N 0 0 396.260 3.425 20 30 GGEDRN C=CCCC(C)(C)NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000620863416 567547827 /nfs/dbraw/zinc/54/78/27/567547827.db2.gz SZIYWJIPRNZZSZ-UHFFFAOYSA-N 0 0 381.270 3.036 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1c(F)cccc1Br)c1ccc(C#N)cc1 ZINC000438811603 567547938 /nfs/dbraw/zinc/54/79/38/567547938.db2.gz QFJZKYYNMXGZGB-SNVBAGLBSA-N 0 0 390.212 3.276 20 30 GGEDRN C=CCCC(C)(C)NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000620863767 567547973 /nfs/dbraw/zinc/54/79/73/567547973.db2.gz BELMEGXERLDSSW-UHFFFAOYSA-N 0 0 379.309 3.133 20 30 GGEDRN C=CCCC(C)(C)NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000620858708 567547999 /nfs/dbraw/zinc/54/79/99/567547999.db2.gz OZIOEKJVLPDLPJ-UHFFFAOYSA-N 0 0 377.428 3.426 20 30 GGEDRN Cc1c(NC(=O)C(=O)NC2(CC(C)C)CC2)ccc(Br)c1C#N ZINC000595204905 567548299 /nfs/dbraw/zinc/54/82/99/567548299.db2.gz RJVNYEWNKRJJEQ-UHFFFAOYSA-N 0 0 378.270 3.263 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)CC1=CCSC1 ZINC000595229155 567548816 /nfs/dbraw/zinc/54/88/16/567548816.db2.gz UJUJLIUPWKSPDW-ZDUSSCGKSA-N 0 0 375.519 3.008 20 30 GGEDRN N#Cc1ccc(OC[C@@H](O)COc2cc(F)cc(Br)c2)cc1F ZINC000438829118 567548867 /nfs/dbraw/zinc/54/88/67/567548867.db2.gz JHVPOFBJRSAWIK-CYBMUJFWSA-N 0 0 384.176 3.418 20 30 GGEDRN N#Cc1ccc(OC[C@@H](O)COc2cc(F)cc(Br)c2)c(F)c1 ZINC000438830524 567548996 /nfs/dbraw/zinc/54/89/96/567548996.db2.gz ONRYDWKJVMFKMZ-ZDUSSCGKSA-N 0 0 384.176 3.418 20 30 GGEDRN C=CCCC(C)(C)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000595229730 567549814 /nfs/dbraw/zinc/54/98/14/567549814.db2.gz CXCFRSNPKKEBKC-UHFFFAOYSA-N 0 0 398.257 3.465 20 30 GGEDRN C=CCN(C(=O)c1cc2c(cc(Cl)cc2Cl)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000479634205 567549801 /nfs/dbraw/zinc/54/98/01/567549801.db2.gz OSSPWGYKILOBCE-NSHDSACASA-N 0 0 387.288 3.290 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Cc2cc3c(cc2Br)OCCO3)cc1 ZINC000479640788 567550429 /nfs/dbraw/zinc/55/04/29/567550429.db2.gz WIXMGLWLDQYQDR-UHFFFAOYSA-N 0 0 394.246 3.066 20 30 GGEDRN C[C@H]1CN(S(=O)(=O)CC2(CC#N)CC2)c2cc(Br)ccc2O1 ZINC000571274794 567551061 /nfs/dbraw/zinc/55/10/61/567551061.db2.gz ZGBLUKVUZPQUNK-NSHDSACASA-N 0 0 385.283 3.060 20 30 GGEDRN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CS(=O)(=O)c1ccc(C#N)cc1 ZINC000479660720 567551235 /nfs/dbraw/zinc/55/12/35/567551235.db2.gz FADQGOFCKLUUFO-CYBMUJFWSA-N 0 0 376.865 3.205 20 30 GGEDRN CC(C)(C)[C@@H](NC(=O)CS(=O)(=O)c1ccc(C#N)cc1)c1cccs1 ZINC000479663944 567551245 /nfs/dbraw/zinc/55/12/45/567551245.db2.gz UKAWOHUVJOJGBL-KRWDZBQOSA-N 0 0 376.503 3.297 20 30 GGEDRN CC(C)(C)[C@H](NC(=O)CS(=O)(=O)c1ccc(C#N)cc1)c1cccs1 ZINC000479663947 567551340 /nfs/dbraw/zinc/55/13/40/567551340.db2.gz UKAWOHUVJOJGBL-QGZVFWFLSA-N 0 0 376.503 3.297 20 30 GGEDRN Cc1cc(NC(=O)CS(=O)(=O)c2ccc(C#N)cc2)ccc1Br ZINC000479660261 567551374 /nfs/dbraw/zinc/55/13/74/567551374.db2.gz KDUAFCUEYHMXIZ-UHFFFAOYSA-N 0 0 393.262 3.042 20 30 GGEDRN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CS(=O)(=O)c1ccc(C#N)cc1 ZINC000479666615 567551410 /nfs/dbraw/zinc/55/14/10/567551410.db2.gz XDWAJKZCFQVBNC-UHFFFAOYSA-N 0 0 397.283 3.297 20 30 GGEDRN C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)[C@H](C)C1 ZINC000571305577 567551427 /nfs/dbraw/zinc/55/14/27/567551427.db2.gz LOPWARCUGRGRCJ-HFAKWTLXSA-N 0 0 378.270 3.200 20 30 GGEDRN C=CCN(C(=O)N[C@H]1CCN(c2ccccc2Br)C1)[C@@H](C)COC ZINC000664084782 567551742 /nfs/dbraw/zinc/55/17/42/567551742.db2.gz DHIHCKFNYOEBNX-GJZGRUSLSA-N 0 0 396.329 3.260 20 30 GGEDRN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CS(=O)(=O)c1ccc(C#N)cc1 ZINC000479657693 567551721 /nfs/dbraw/zinc/55/17/21/567551721.db2.gz JPJYCJQADYBLMC-UHFFFAOYSA-N 0 0 397.283 3.297 20 30 GGEDRN Cc1cc(Br)cc(C)c1N1CCC[C@H](Nc2ccc(C#N)cn2)C1=O ZINC000571292166 567552061 /nfs/dbraw/zinc/55/20/61/567552061.db2.gz ZZIZYGZGYIPORD-INIZCTEOSA-N 0 0 399.292 3.362 20 30 GGEDRN C=CCNC(=O)Cc1noc(-c2cn(-c3ccc(Cl)c(Cl)c3)cn2)n1 ZINC000571291250 567552374 /nfs/dbraw/zinc/55/23/74/567552374.db2.gz YOQFFBBXVJCBII-UHFFFAOYSA-N 0 0 378.219 3.074 20 30 GGEDRN Cc1cc(C#N)cnc1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000552049677 567553182 /nfs/dbraw/zinc/55/31/82/567553182.db2.gz LOPNFDGKHXNORP-HNNXBMFYSA-N 0 0 385.265 3.033 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000595304734 567553240 /nfs/dbraw/zinc/55/32/40/567553240.db2.gz NVZFUMFTZMVRCW-OAHLLOKOSA-N 0 0 395.937 3.363 20 30 GGEDRN N#Cc1ccc(CCN2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000595301732 567553287 /nfs/dbraw/zinc/55/32/87/567553287.db2.gz NWTQCKFGSZUWNF-UHFFFAOYSA-N 0 0 398.304 3.321 20 30 GGEDRN Cc1ccc(Br)cc1CNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000438900019 567553713 /nfs/dbraw/zinc/55/37/13/567553713.db2.gz DDUBNAUOIWKHSU-UHFFFAOYSA-N 0 0 397.269 3.388 20 30 GGEDRN Cc1ccn(Cc2ccc(I)cc2Cl)c(=O)c1C#N ZINC000479700454 567553763 /nfs/dbraw/zinc/55/37/63/567553763.db2.gz BESPIMHMZGHVDZ-UHFFFAOYSA-N 0 0 384.604 3.335 20 30 GGEDRN N#Cc1ccc(Cn2cc(F)cc(I)c2=O)c(Cl)c1 ZINC000438900393 567553885 /nfs/dbraw/zinc/55/38/85/567553885.db2.gz GAKDYCHKLCOVFR-UHFFFAOYSA-N 0 0 388.567 3.165 20 30 GGEDRN Cc1nn(Cc2ccc(I)cc2Cl)c(=O)c(C#N)c1C ZINC000479709563 567554058 /nfs/dbraw/zinc/55/40/58/567554058.db2.gz GKVJICWOIQGBCN-UHFFFAOYSA-N 0 0 399.619 3.038 20 30 GGEDRN O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)N[C@H](CO)CC(F)(F)F ZINC000504945398 567554151 /nfs/dbraw/zinc/55/41/51/567554151.db2.gz RYNZNMABPNTMKC-QMMMGPOBSA-N 0 0 378.244 3.202 20 30 GGEDRN N#C[C@H]1CN(Cc2cccc(OCC(F)(F)F)c2Br)CCO1 ZINC000595319146 567555165 /nfs/dbraw/zinc/55/51/65/567555165.db2.gz XPGKJJLCIOYHHR-NSHDSACASA-N 0 0 379.176 3.115 20 30 GGEDRN N#CCC[C@H](NS(=O)(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000438947259 567555948 /nfs/dbraw/zinc/55/59/48/567555948.db2.gz JXQXGSUBPFVTQV-AWEZNQCLSA-N 0 0 380.267 3.167 20 30 GGEDRN CC1(C)CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)[C@@H]1C#N ZINC000571360975 567556086 /nfs/dbraw/zinc/55/60/86/567556086.db2.gz OSWDXSZTKMRDHM-MRXNPFEDSA-N 0 0 388.265 3.445 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)N[C@@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000458606502 567557059 /nfs/dbraw/zinc/55/70/59/567557059.db2.gz AUKGVUPJRWDEGV-APHBMKBZSA-N 0 0 385.302 3.151 20 30 GGEDRN N#CCC[C@H](NS(=O)(=O)c1cncc(Br)c1)c1ccccc1 ZINC000438956288 567557236 /nfs/dbraw/zinc/55/72/36/567557236.db2.gz WKWLJFUUFMGWHD-HNNXBMFYSA-N 0 0 380.267 3.167 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000458606508 567557437 /nfs/dbraw/zinc/55/74/37/567557437.db2.gz AUKGVUPJRWDEGV-WQVCFCJDSA-N 0 0 385.302 3.151 20 30 GGEDRN CCN([C@H](C)C#N)S(=O)(=O)c1cc(Br)ccc1Br ZINC000595358526 567557554 /nfs/dbraw/zinc/55/75/54/567557554.db2.gz ZGAQNXITFBVSLD-MRVPVSSYSA-N 0 0 396.104 3.134 20 30 GGEDRN N#Cc1cc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)ccc1F ZINC000552096021 567557839 /nfs/dbraw/zinc/55/78/39/567557839.db2.gz NNOKFORTOMCIOB-LBPRGKRZSA-N 0 0 383.206 3.174 20 30 GGEDRN CCN([C@@H](C)C#N)S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000595358764 567557824 /nfs/dbraw/zinc/55/78/24/567557824.db2.gz WQSBQYKLSPHBQN-QMMMGPOBSA-N 0 0 381.679 3.034 20 30 GGEDRN C=CCC[C@H](CO)NC(=O)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000458606506 567557871 /nfs/dbraw/zinc/55/78/71/567557871.db2.gz AUKGVUPJRWDEGV-MAZHCROVSA-N 0 0 385.302 3.151 20 30 GGEDRN CCN([C@H](C)C#N)S(=O)(=O)c1ccc(Br)cc1Br ZINC000595358256 567558117 /nfs/dbraw/zinc/55/81/17/567558117.db2.gz XMAQYFAYCIZGRJ-MRVPVSSYSA-N 0 0 396.104 3.134 20 30 GGEDRN CN(c1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000595361950 567559065 /nfs/dbraw/zinc/55/90/65/567559065.db2.gz CYUNCVXXACOMNX-INIZCTEOSA-N 0 0 375.881 3.111 20 30 GGEDRN COCCN(Cc1sccc1Br)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000479778323 567559238 /nfs/dbraw/zinc/55/92/38/567559238.db2.gz JROVOWXRQZCWEQ-DGCLKSJQSA-N 0 0 386.315 3.361 20 30 GGEDRN CN(c1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000595362584 567559328 /nfs/dbraw/zinc/55/93/28/567559328.db2.gz LNTVAHYQNWDPAV-MRXNPFEDSA-N 0 0 375.881 3.111 20 30 GGEDRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)S(=O)(=O)CCCCC#N ZINC000595371014 567559374 /nfs/dbraw/zinc/55/93/74/567559374.db2.gz NAYDBEFXMVXDHI-AWEZNQCLSA-N 0 0 393.292 3.163 20 30 GGEDRN CO[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CCCC1 ZINC000595364209 567559401 /nfs/dbraw/zinc/55/94/01/567559401.db2.gz FOKJHXWMDRCKPS-AWEZNQCLSA-N 0 0 376.400 3.061 20 30 GGEDRN COCCN(Cc1sccc1Br)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000479778319 567559320 /nfs/dbraw/zinc/55/93/20/567559320.db2.gz JROVOWXRQZCWEQ-AAEUAGOBSA-N 0 0 386.315 3.361 20 30 GGEDRN C=CCN(C(=O)c1cn2cc(C)nc2s1)c1nc(C(=O)OCC)cs1 ZINC000505114234 567560070 /nfs/dbraw/zinc/56/00/70/567560070.db2.gz MTLVEIKUQMMPRA-UHFFFAOYSA-N 0 0 376.463 3.170 20 30 GGEDRN C[C@@H](c1ncc(Br)cn1)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000438990775 567560445 /nfs/dbraw/zinc/56/04/45/567560445.db2.gz ZRWSWMZEAMFGFW-WMLDXEAASA-N 0 0 386.297 3.183 20 30 GGEDRN C=CC[C@H]1CCCN(c2c(F)cc(S(N)(=O)=O)cc2Br)C1 ZINC000664253674 567560519 /nfs/dbraw/zinc/56/05/19/567560519.db2.gz QPVNUVKKYGQQIJ-JTQLQIEISA-N 0 0 377.279 3.028 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCN(Cc2ncsc2Br)CC1 ZINC000595376512 567561050 /nfs/dbraw/zinc/56/10/50/567561050.db2.gz JSNDLXIOVUVWIV-OAHLLOKOSA-N 0 0 377.311 3.288 20 30 GGEDRN Cc1cc(Br)cn2cc(CNC(=O)N(C)CC(C)(C)C#N)nc12 ZINC000458657014 567561387 /nfs/dbraw/zinc/56/13/87/567561387.db2.gz MGZBHUXXLMTWJK-UHFFFAOYSA-N 0 0 378.274 3.096 20 30 GGEDRN Cc1cc(Br)cn2cc(CNC(=O)NCC(C)(C)CC#N)nc12 ZINC000458647052 567561509 /nfs/dbraw/zinc/56/15/09/567561509.db2.gz GRBLIRDYPUHGEB-UHFFFAOYSA-N 0 0 378.274 3.144 20 30 GGEDRN N#Cc1ccc(CCN2CCNC(=O)[C@@H]2c2cccc(Br)c2)cc1 ZINC000595405418 567561752 /nfs/dbraw/zinc/56/17/52/567561752.db2.gz XSLCFVNBOZRFOP-SFHVURJKSA-N 0 0 384.277 3.036 20 30 GGEDRN N#Cc1ccc(CCN2CCNC(=O)[C@H]2c2cccc(Br)c2)cc1 ZINC000595405417 567561768 /nfs/dbraw/zinc/56/17/68/567561768.db2.gz XSLCFVNBOZRFOP-GOSISDBHSA-N 0 0 384.277 3.036 20 30 GGEDRN N#Cc1ccc(CCN2CCNC(=O)[C@@H]2c2ccccc2Br)cc1 ZINC000595408786 567562366 /nfs/dbraw/zinc/56/23/66/567562366.db2.gz SSVDELCOHRRGIX-SFHVURJKSA-N 0 0 384.277 3.036 20 30 GGEDRN COc1cccc(C2(CNS(=O)(=O)c3ccc(Cl)cc3C#N)CC2)c1 ZINC000571448585 567563286 /nfs/dbraw/zinc/56/32/86/567563286.db2.gz NDLORWBZJZFJNV-UHFFFAOYSA-N 0 0 376.865 3.230 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCc3sc(Cl)cc32)c1 ZINC000571450512 567563378 /nfs/dbraw/zinc/56/33/78/567563378.db2.gz RCEMLQJWAGPCBF-AWEZNQCLSA-N 0 0 396.921 3.283 20 30 GGEDRN N#Cc1ccc(CCNC(=O)NCCc2ccc(Br)s2)cc1 ZINC000595427295 567564075 /nfs/dbraw/zinc/56/40/75/567564075.db2.gz ANERARCTCJHQAE-UHFFFAOYSA-N 0 0 378.295 3.467 20 30 GGEDRN N#CCCN(Cc1ccccn1)C(=O)COc1ccc(F)cc1Br ZINC000505180549 567564470 /nfs/dbraw/zinc/56/44/70/567564470.db2.gz VUKWXHPUGNHTTB-UHFFFAOYSA-N 0 0 392.228 3.304 20 30 GGEDRN CN(CCOCc1ccc(C#N)cc1)S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000571478205 567565030 /nfs/dbraw/zinc/56/50/30/567565030.db2.gz MLHKXELNUPFNQA-UHFFFAOYSA-N 0 0 382.844 3.188 20 30 GGEDRN O=C(C[S@](=O)CCC(F)(F)F)NCc1ccc(F)cc1C(F)(F)F ZINC000479880827 567565332 /nfs/dbraw/zinc/56/53/32/567565332.db2.gz AZWHRNULXLJLFJ-XMMPIXPASA-N 0 0 379.297 3.162 20 30 GGEDRN N#Cc1ccc(Br)c(C[S@](=O)Cc2ccc3c(c2)OCO3)c1 ZINC000479879585 567565582 /nfs/dbraw/zinc/56/55/82/567565582.db2.gz AAXGZVUFAPXYTG-JOCHJYFZSA-N 0 0 378.247 3.498 20 30 GGEDRN CC(C)CCN(CCC#N)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000505213734 567565583 /nfs/dbraw/zinc/56/55/83/567565583.db2.gz QQWCZDSWAKGSPT-UHFFFAOYSA-N 0 0 394.313 3.357 20 30 GGEDRN CC#CCN(C)C(=O)NCc1ccc(Cl)cc1I ZINC000458710239 567567406 /nfs/dbraw/zinc/56/74/06/567567406.db2.gz VKHLZFWNUWJOFW-UHFFFAOYSA-N 0 0 376.625 3.109 20 30 GGEDRN CC[C@H](Cc1ccc(Br)cc1)NC(=O)NC1CCN(CC#N)CC1 ZINC000595500987 567568117 /nfs/dbraw/zinc/56/81/17/567568117.db2.gz VSKFAUAZSUQCLL-MRXNPFEDSA-N 0 0 393.329 3.057 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000505299517 567568276 /nfs/dbraw/zinc/56/82/76/567568276.db2.gz JZONNEVXBZBVIV-UHFFFAOYSA-N 0 0 396.299 3.376 20 30 GGEDRN COc1cc(Br)c(CNC(=O)N2CCC[C@@H](CC#N)C2)cc1OC ZINC000595485277 567568355 /nfs/dbraw/zinc/56/83/55/567568355.db2.gz XLIKOPWVCVROSF-LBPRGKRZSA-N 0 0 396.285 3.302 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000458722188 567568680 /nfs/dbraw/zinc/56/86/80/567568680.db2.gz DBHAPEVBBMJDNM-BDJLRTHQSA-N 0 0 393.285 3.106 20 30 GGEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cncc(OC)n1 ZINC000479929349 567568907 /nfs/dbraw/zinc/56/89/07/567568907.db2.gz WBTHRIUAZAWLFZ-UHFFFAOYSA-N 0 0 380.217 3.215 20 30 GGEDRN C=CCN(CC1CCCCC1)C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC000571538621 567570163 /nfs/dbraw/zinc/57/01/63/567570163.db2.gz POYYMOIJWMVAPO-UHFFFAOYSA-N 0 0 383.539 3.214 20 30 GGEDRN CC(C)(CO)[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000439187403 567570856 /nfs/dbraw/zinc/57/08/56/567570856.db2.gz DYWGGJOKSMDANR-QGZVFWFLSA-N 0 0 378.881 3.250 20 30 GGEDRN Cc1cc(CNC(=O)N(C)CC(C)(C)C#N)ccc1I ZINC000458743432 567571615 /nfs/dbraw/zinc/57/16/15/567571615.db2.gz VMXWHDAJOIKLJD-UHFFFAOYSA-N 0 0 385.249 3.291 20 30 GGEDRN N#Cc1ccc(C(=O)CNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)cc1 ZINC000552292382 567573403 /nfs/dbraw/zinc/57/34/03/567573403.db2.gz ZUMAZCWXTXKYCR-DLBZAZTESA-N 0 0 383.245 3.423 20 30 GGEDRN CS(=O)(=O)c1ccc(-c2nc(CN3CCC[C@H](CC#N)C3)cs2)cc1 ZINC000595614273 567574010 /nfs/dbraw/zinc/57/40/10/567574010.db2.gz JPXPAMOIQLLCCD-CQSZACIVSA-N 0 0 375.519 3.339 20 30 GGEDRN N#CC[C@H]1CCCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000595599746 567574039 /nfs/dbraw/zinc/57/40/39/567574039.db2.gz BMJFMYSKVJWWLI-QMTHXVAHSA-N 0 0 382.233 3.357 20 30 GGEDRN C[C@H](C(=O)Nc1ccc(I)cc1)N1CCC[C@@H](CC#N)C1 ZINC000595617479 567574228 /nfs/dbraw/zinc/57/42/28/567574228.db2.gz WDYKUQMBYRQXRG-OLZOCXBDSA-N 0 0 397.260 3.244 20 30 GGEDRN Cc1cc(CNC(=O)N2CCC[C@H](CC#N)C2)ccc1I ZINC000595600243 567574463 /nfs/dbraw/zinc/57/44/63/567574463.db2.gz DSXHSXVWHFONTO-CYBMUJFWSA-N 0 0 397.260 3.435 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(F)c(Br)c1)c1ccc(C#N)cc1 ZINC000439243027 567575021 /nfs/dbraw/zinc/57/50/21/567575021.db2.gz CSZZWDLAXBPXJA-SNVBAGLBSA-N 0 0 383.242 3.499 20 30 GGEDRN C[C@@H](c1ncc(Br)cn1)N1CCN(c2ccsc2C#N)CC1 ZINC000595630406 567575456 /nfs/dbraw/zinc/57/54/56/567575456.db2.gz XGYKWSDRJKNAOG-NSHDSACASA-N 0 0 378.299 3.055 20 30 GGEDRN COc1ncc(Br)cc1CN1CCN(c2ccsc2C#N)CC1 ZINC000595637736 567575481 /nfs/dbraw/zinc/57/54/81/567575481.db2.gz LNCUCTFJIWZRNE-UHFFFAOYSA-N 0 0 393.310 3.108 20 30 GGEDRN N#CC[C@H]1CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000595623924 567575524 /nfs/dbraw/zinc/57/55/24/567575524.db2.gz YUMPTVWLIMAUHT-LLVKDONJSA-N 0 0 385.205 3.325 20 30 GGEDRN N#Cc1sccc1N1CCN(CC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000595631043 567575828 /nfs/dbraw/zinc/57/58/28/567575828.db2.gz PUSNFNJMDBOHMS-UHFFFAOYSA-N 0 0 378.860 3.173 20 30 GGEDRN CNc1ccc(C#N)cc1NS(=O)(=O)c1cc(Br)ccc1C ZINC000439248055 567576211 /nfs/dbraw/zinc/57/62/11/567576211.db2.gz OGRJIOCLWAROSA-UHFFFAOYSA-N 0 0 380.267 3.472 20 30 GGEDRN C=CCC(C)(C)CNC(=O)NC[C@H](O)COc1ccccc1Br ZINC000458815503 567576877 /nfs/dbraw/zinc/57/68/77/567576877.db2.gz YBINXVSGZUJAPQ-ZDUSSCGKSA-N 0 0 385.302 3.090 20 30 GGEDRN C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000595658712 567576934 /nfs/dbraw/zinc/57/69/34/567576934.db2.gz HUNOREQAXZJVNG-CYBMUJFWSA-N 0 0 381.307 3.066 20 30 GGEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000571639009 567578368 /nfs/dbraw/zinc/57/83/68/567578368.db2.gz UPIVCWXSBZSAKW-BJJXKVORSA-N 0 0 383.275 3.196 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1c(Cl)cccc1Cl ZINC000505479869 567578416 /nfs/dbraw/zinc/57/84/16/567578416.db2.gz JQZCNZJIPQPKGV-CYBMUJFWSA-N 0 0 376.199 3.319 20 30 GGEDRN C=CCCSCCNC(=O)N[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000595724491 567578641 /nfs/dbraw/zinc/57/86/41/567578641.db2.gz LISYNDGMUPFFQA-WBVHZDCISA-N 0 0 384.567 3.078 20 30 GGEDRN Cc1ccc2c(ncc(C#N)c2N[C@@H]2CC(=O)N(C3CC3)C2)c1Br ZINC000480063783 567578664 /nfs/dbraw/zinc/57/86/64/567578664.db2.gz UNAPUENGJOZRFB-GFCCVEGCSA-N 0 0 385.265 3.353 20 30 GGEDRN C=CCCSCCNC(=O)N[C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000595724489 567578936 /nfs/dbraw/zinc/57/89/36/567578936.db2.gz LISYNDGMUPFFQA-NVXWUHKLSA-N 0 0 384.567 3.078 20 30 GGEDRN C=CCCSCCNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000595722709 567579003 /nfs/dbraw/zinc/57/90/03/567579003.db2.gz GPEVYNXKLQVUNV-UHFFFAOYSA-N 0 0 381.929 3.117 20 30 GGEDRN Cc1cc(C)n2nc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)nc2n1 ZINC000505473132 567578931 /nfs/dbraw/zinc/57/89/31/567578931.db2.gz GCSPRNAILLRORI-LBPRGKRZSA-N 0 0 375.219 3.043 20 30 GGEDRN CCCCCS(=O)(=O)CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000505480520 567578968 /nfs/dbraw/zinc/57/89/68/567578968.db2.gz NHMAHTRKNLKWJB-ZDUSSCGKSA-N 0 0 377.293 3.279 20 30 GGEDRN CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)C(=O)Nc1sccc1C#N ZINC000571659924 567579764 /nfs/dbraw/zinc/57/97/64/567579764.db2.gz WSKWZXHNFDVCRS-QMTHXVAHSA-N 0 0 377.853 3.104 20 30 GGEDRN N#Cc1cc(Br)ccc1N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000571668059 567580012 /nfs/dbraw/zinc/58/00/12/567580012.db2.gz QPSORAJAPZFJIH-HNNXBMFYSA-N 0 0 377.286 3.413 20 30 GGEDRN CCCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000505507050 567580300 /nfs/dbraw/zinc/58/03/00/567580300.db2.gz PTBOESRKKUZUAH-CHWSQXEVSA-N 0 0 386.304 3.376 20 30 GGEDRN N#C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1c(Cl)cccc1Cl ZINC000505511562 567580508 /nfs/dbraw/zinc/58/05/08/567580508.db2.gz FTCTUFWJBJXZEH-LDYMZIIASA-N 0 0 394.180 3.085 20 30 GGEDRN CS(=O)(=O)c1cccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c1 ZINC000505533927 567582029 /nfs/dbraw/zinc/58/20/29/567582029.db2.gz TUXYRARIBILBHZ-CQSZACIVSA-N 0 0 383.256 3.392 20 30 GGEDRN CS(=O)(=O)c1cccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1 ZINC000505533926 567582435 /nfs/dbraw/zinc/58/24/35/567582435.db2.gz TUXYRARIBILBHZ-AWEZNQCLSA-N 0 0 383.256 3.392 20 30 GGEDRN C=CCSCCNS(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 ZINC000571691556 567582636 /nfs/dbraw/zinc/58/26/36/567582636.db2.gz BSUPFNQAFLIXJC-UHFFFAOYSA-N 0 0 375.475 3.087 20 30 GGEDRN C[C@@]1(c2ccc(Br)cc2)C[C@]12NC(=O)N(CCCCC#N)C2=O ZINC000530196444 567582875 /nfs/dbraw/zinc/58/28/75/567582875.db2.gz WFSAJSXWKYCYRU-DLBZAZTESA-N 0 0 376.254 3.095 20 30 GGEDRN CC(C)(CCC#N)CNC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000480155558 567583130 /nfs/dbraw/zinc/58/31/30/567583130.db2.gz WEWXAWVFDBDCOG-UHFFFAOYSA-N 0 0 391.273 3.481 20 30 GGEDRN C[C@]1(c2ccc(Br)cc2)C[C@]12NC(=O)N(CC1(CC#N)CC1)C2=O ZINC000530201316 567583061 /nfs/dbraw/zinc/58/30/61/567583061.db2.gz NFRNYIIPQRYHNK-SJLPKXTDSA-N 0 0 388.265 3.095 20 30 GGEDRN C[C@@]1(c2ccc(Br)cc2)C[C@@]12NC(=O)N(CCCCC#N)C2=O ZINC000530196452 567583410 /nfs/dbraw/zinc/58/34/10/567583410.db2.gz WFSAJSXWKYCYRU-IRXDYDNUSA-N 0 0 376.254 3.095 20 30 GGEDRN N#Cc1ccsc1N1CC[C@@H](N[C@H](CO)c2cccc(Cl)c2Cl)C1=O ZINC000595829353 567584694 /nfs/dbraw/zinc/58/46/94/567584694.db2.gz PYMHXXACKJUITR-ZIAGYGMSSA-N 0 0 396.299 3.355 20 30 GGEDRN C[C@@]1(c2ccc(Br)cc2)C[C@]12NC(=O)N([C@@H]1CC[C@H](C#N)C1)C2=O ZINC000530202180 567584665 /nfs/dbraw/zinc/58/46/65/567584665.db2.gz RQGAGIYGSORWPG-SNLJCNTPSA-N 0 0 388.265 3.093 20 30 GGEDRN N#Cc1ccsc1N1CC[C@H](N[C@@H](CO)c2cccc(Cl)c2Cl)C1=O ZINC000595829350 567584821 /nfs/dbraw/zinc/58/48/21/567584821.db2.gz PYMHXXACKJUITR-KBPBESRZSA-N 0 0 396.299 3.355 20 30 GGEDRN CN(C(=O)CN[C@@H](CO)c1cccc(Cl)c1Cl)C1(C#N)CCCCC1 ZINC000595827489 567584975 /nfs/dbraw/zinc/58/49/75/567584975.db2.gz CPCBUZFXODBOGY-HNNXBMFYSA-N 0 0 384.307 3.301 20 30 GGEDRN C[C@@H](N[C@H](CO)c1cccc(Cl)c1Cl)C(=O)NC1(C#N)CCCCC1 ZINC000595827145 567585209 /nfs/dbraw/zinc/58/52/09/567585209.db2.gz AKJQDILXJWKHLY-IUODEOHRSA-N 0 0 384.307 3.348 20 30 GGEDRN N#CCC1CCN(C(=O)CCOc2cccc(I)c2)CC1 ZINC000571737483 567585280 /nfs/dbraw/zinc/58/52/80/567585280.db2.gz QHCPRUOCWROWGG-UHFFFAOYSA-N 0 0 398.244 3.212 20 30 GGEDRN N#C[C@@H]1CN(C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)CCO1 ZINC000458900506 567586017 /nfs/dbraw/zinc/58/60/17/567586017.db2.gz XRTDODLITFXMKZ-GFCCVEGCSA-N 0 0 398.688 3.068 20 30 GGEDRN C[C@@H](NCc1ccc(C#N)cc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000439448427 567587121 /nfs/dbraw/zinc/58/71/21/567587121.db2.gz GWXZGOBROVYJCM-CYBMUJFWSA-N 0 0 377.897 3.313 20 30 GGEDRN C[C@@H](NCc1ccc(C#N)cc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000439440269 567587384 /nfs/dbraw/zinc/58/73/84/567587384.db2.gz OHYGBVNIPJNEHT-CYBMUJFWSA-N 0 0 377.897 3.313 20 30 GGEDRN N#Cc1ccc(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)c(Cl)c1 ZINC000439439841 567587699 /nfs/dbraw/zinc/58/76/99/567587699.db2.gz MXWWYKIERMLXOV-UHFFFAOYSA-N 0 0 387.818 3.404 20 30 GGEDRN N#C[C@H](c1ccc(Br)cc1)N1CCN(Cc2cncc(F)c2)CC1 ZINC000571772087 567588131 /nfs/dbraw/zinc/58/81/31/567588131.db2.gz FOELWTOAGYXMQX-GOSISDBHSA-N 0 0 389.272 3.366 20 30 GGEDRN Cc1nnc(CN(C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)s1 ZINC000595884994 567588162 /nfs/dbraw/zinc/58/81/62/567588162.db2.gz KMYTZTJGHKKXOK-LBPRGKRZSA-N 0 0 375.523 3.169 20 30 GGEDRN Cc1nnc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000595886318 567588188 /nfs/dbraw/zinc/58/81/88/567588188.db2.gz UQKNGWIDIVUKBE-UHFFFAOYSA-N 0 0 375.523 3.119 20 30 GGEDRN C=CCCOCC(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000644887789 567588301 /nfs/dbraw/zinc/58/83/01/567588301.db2.gz 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3.344 20 30 GGEDRN N#Cc1cc(N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c2ccccc2n1 ZINC000822823617 599526888 /nfs/dbraw/zinc/52/68/88/599526888.db2.gz UUJRIXBEZJKBRS-UHFFFAOYSA-N 0 0 397.442 3.334 20 30 GGEDRN N#CCC1(COC(=O)c2cccc(COc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000822806912 599626380 /nfs/dbraw/zinc/62/63/80/599626380.db2.gz VPRWCAPLHNSVKS-UHFFFAOYSA-N 0 0 389.415 3.296 20 30 GGEDRN N#CCC1(COC(=O)c2ccc(OCc3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000822805722 599627316 /nfs/dbraw/zinc/62/73/16/599627316.db2.gz BGWOMZZBIIQPKV-UHFFFAOYSA-N 0 0 389.415 3.296 20 30 GGEDRN Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2ccc(-c3nn[nH]n3)c(C#N)c2)cc1 ZINC000822233680 599631260 /nfs/dbraw/zinc/63/12/60/599631260.db2.gz SSNGMACDGDFCEW-RBUKOAKNSA-N 0 0 388.431 3.153 20 30 GGEDRN C=CCN(Cc1ccccc1F)C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000819745969 599678528 /nfs/dbraw/zinc/67/85/28/599678528.db2.gz WZGUVWUHGBEYMX-UHFFFAOYSA-N 0 0 384.390 3.043 20 30 GGEDRN C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737370361 599826497 /nfs/dbraw/zinc/82/64/97/599826497.db2.gz POFDIIPYIJMFTN-UHFFFAOYSA-N 0 0 394.475 3.171 20 30 GGEDRN CC(C)(C)c1cc[n+](C(C(=O)c2cc(C(=O)[O-])co2)C(=S)NC2CC2)cc1 ZINC000736294732 599854416 /nfs/dbraw/zinc/85/44/16/599854416.db2.gz PQCAZJNOKJMADI-UHFFFAOYSA-O 0 0 387.481 3.254 20 30 GGEDRN C=CCNC(=S)C(C(=O)c1cc(C(=O)[O-])co1)[n+]1ccc(C(C)(C)C)cc1 ZINC000736105686 599854560 /nfs/dbraw/zinc/85/45/60/599854560.db2.gz FGUZVAAKXPLMMI-UHFFFAOYSA-O 0 0 387.481 3.277 20 30 GGEDRN CCc1cc[n+](C(C(=O)c2cc(C(=O)[O-])co2)C(=S)N[C@H](C)CC)cc1 ZINC000737252743 599854586 /nfs/dbraw/zinc/85/45/86/599854586.db2.gz SNBPUKBGSGNTBU-GFCCVEGCSA-O 0 0 375.470 3.155 20 30 GGEDRN CCc1cccc[n+]1C(C(=O)c1cc(C(=O)[O-])co1)C(=S)N[C@@H](C)CC ZINC000737273265 599854601 /nfs/dbraw/zinc/85/46/01/599854601.db2.gz XJJCTDKLDXCDQW-LBPRGKRZSA-O 0 0 375.470 3.155 20 30 GGEDRN CC(C)NC(=S)C(C(=O)c1cc(C(=O)[O-])co1)[n+]1ccc2c(c1)CCCC2 ZINC000736477123 599854635 /nfs/dbraw/zinc/85/46/35/599854635.db2.gz 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C=CCC[C@H](NC(=O)COc1ccc(-c2nn[nH]n2)cc1OC)c1ccccc1 ZINC000819734220 607408370 /nfs/dbraw/zinc/40/83/70/607408370.db2.gz KHNXJBSWZYBQIM-KRWDZBQOSA-N 0 0 393.447 3.078 20 30 GGEDRN C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CC1 ZINC000736095401 599995562 /nfs/dbraw/zinc/99/55/62/599995562.db2.gz USGYOGJPGZWALW-UHFFFAOYSA-N 0 0 375.469 3.334 20 30 GGEDRN O=C([O-])CCC[NH+]1CCC(N=Nc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000739672599 600004574 /nfs/dbraw/zinc/00/45/74/600004574.db2.gz VLWFUPMVCWUENZ-UHFFFAOYSA-N 0 0 378.782 3.482 20 30 GGEDRN C[C@]([NH2+]CCOc1cccc(C#N)c1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736663913 600077255 /nfs/dbraw/zinc/07/72/55/600077255.db2.gz IBLIFXKBYZVECR-GOSISDBHSA-N 0 0 389.249 3.289 20 30 GGEDRN N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3C(=O)[O-])CC2)c1 ZINC000739133560 600093033 /nfs/dbraw/zinc/09/30/33/600093033.db2.gz JYIOTWANWLWHAO-UHFFFAOYSA-N 0 0 381.407 3.246 20 30 GGEDRN Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)ccc1Cl ZINC000738408242 600289467 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WRHRBPKPZCRHEU-LJQANCHMSA-N 0 0 397.862 3.185 20 30 GGEDRN N#Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000739106957 600568229 /nfs/dbraw/zinc/56/82/29/600568229.db2.gz UVTBIMDUWBPCLH-SFHVURJKSA-N 0 0 389.415 3.009 20 30 GGEDRN CC(=O)N1CCCCC[C@H]1C1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736135149 600570811 /nfs/dbraw/zinc/57/08/11/600570811.db2.gz OGXNTXOGYSOCLC-SFTDATJTSA-N 0 0 383.492 3.187 20 30 GGEDRN COc1ccc([C@H](C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000737958484 600590652 /nfs/dbraw/zinc/59/06/52/600590652.db2.gz ZTJUYSKQQMSUOG-LEWJYISDSA-N 0 0 379.460 3.119 20 30 GGEDRN N#Cc1ccc([C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)C(=O)[O-])cc1 ZINC000739108004 600592058 /nfs/dbraw/zinc/59/20/58/600592058.db2.gz SLUHROUHNRHPPB-FQEVSTJZSA-N 0 0 377.444 3.100 20 30 GGEDRN C[C@@H]([NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000736662116 600592948 /nfs/dbraw/zinc/59/29/48/600592948.db2.gz LXVKLNUOCGNLPJ-YJYMSZOUSA-N 0 0 378.432 3.319 20 30 GGEDRN C[C@H]([NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000736662115 600593221 /nfs/dbraw/zinc/59/32/21/600593221.db2.gz LXVKLNUOCGNLPJ-ORAYPTAESA-N 0 0 378.432 3.319 20 30 GGEDRN COc1cc(C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OCC(F)(F)F ZINC000737886808 600594629 /nfs/dbraw/zinc/59/46/29/600594629.db2.gz PYWNDQATJCCCDQ-KRWDZBQOSA-N 0 0 394.349 3.423 20 30 GGEDRN N#Cc1ccc([C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)C(=O)[O-])cc1 ZINC000739108957 600595145 /nfs/dbraw/zinc/59/51/45/600595145.db2.gz YYTWTTBZVASBKS-FQEVSTJZSA-N 0 0 386.411 3.121 20 30 GGEDRN CCOc1ccc(C2(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000737195930 600595681 /nfs/dbraw/zinc/59/56/81/600595681.db2.gz ZTFQZNUYFNRSFD-OAQYLSRUSA-N 0 0 394.471 3.421 20 30 GGEDRN COc1ccc(Br)cc1C[NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737921014 600596645 /nfs/dbraw/zinc/59/66/45/600596645.db2.gz VEUZBZXFXKTSKW-INIZCTEOSA-N 0 0 375.222 3.245 20 30 GGEDRN N#Cc1ccc([C@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)C(=O)[O-])cc1 ZINC000739108187 600596917 /nfs/dbraw/zinc/59/69/17/600596917.db2.gz ULNIJVBXQJDVFL-FQEVSTJZSA-N 0 0 386.411 3.121 20 30 GGEDRN N#Cc1ccc([C@@H](Nc2ccc(CC[NH+]3CCSCC3)cc2)C(=O)[O-])cc1 ZINC000739111984 600597544 /nfs/dbraw/zinc/59/75/44/600597544.db2.gz WZZKLIINUKMPRT-HXUWFJFHSA-N 0 0 381.501 3.387 20 30 GGEDRN COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000738013797 600597557 /nfs/dbraw/zinc/59/75/57/600597557.db2.gz MFWUDTDFHUBSOS-QFBILLFUSA-N 0 0 385.851 3.214 20 30 GGEDRN N#Cc1ccc([C@@H]([NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)C(=O)[O-])cc1 ZINC000739104427 600599362 /nfs/dbraw/zinc/59/93/62/600599362.db2.gz APRRMQZDFDSGRZ-MAUKXSAKSA-N 0 0 387.386 3.154 20 30 GGEDRN N#Cc1ccc([C@@H](OC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C(=O)[O-])cc1 ZINC000739112008 600804111 /nfs/dbraw/zinc/80/41/11/600804111.db2.gz XNYRSIWYLBCEAT-UYAOXDASSA-N 0 0 396.418 3.278 20 30 GGEDRN N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C(=O)[O-])C2)sc2c1CCCCC2 ZINC000739092804 600843294 /nfs/dbraw/zinc/84/32/94/600843294.db2.gz KNUNWMRKJONICA-ZDUSSCGKSA-N 0 0 375.494 3.014 20 30 GGEDRN CC(C)c1cnc(CN(C)[C@H]2CC[N@@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)o1 ZINC000827139077 601027517 /nfs/dbraw/zinc/02/75/17/601027517.db2.gz FDOPQUWCSXPCQF-PXNSSMCTSA-N 0 0 382.464 3.002 20 30 GGEDRN CC(C)c1cnc(CN(C)[C@@H]2CC[N@@H+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2)o1 ZINC000827139079 601028275 /nfs/dbraw/zinc/02/82/75/601028275.db2.gz FDOPQUWCSXPCQF-YLJYHZDGSA-N 0 0 382.464 3.002 20 30 GGEDRN C[C@]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)(C(=O)[O-])C1CC1 ZINC000827735153 601033804 /nfs/dbraw/zinc/03/38/04/601033804.db2.gz PQZFOSJZQATBKE-LJQANCHMSA-N 0 0 375.494 3.060 20 30 GGEDRN N#Cc1ccc([C@H](C(=O)[O-])[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000833071885 601037470 /nfs/dbraw/zinc/03/74/70/601037470.db2.gz MILVZHVJTFUILT-LJQANCHMSA-N 0 0 381.388 3.136 20 30 GGEDRN Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000832944294 601146119 /nfs/dbraw/zinc/14/61/19/601146119.db2.gz APGWLCUASUVFRW-UHFFFAOYSA-N 0 0 380.448 3.161 20 30 GGEDRN C[C@H]([NH2+][C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000827717070 601300234 /nfs/dbraw/zinc/30/02/34/601300234.db2.gz DFMRNQLYXODYBB-DJJJIMSYSA-N 0 0 378.432 3.319 20 30 GGEDRN C[C@@H]([NH2+][C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000827717057 601300627 /nfs/dbraw/zinc/30/06/27/601300627.db2.gz DFMRNQLYXODYBB-BFUOFWGJSA-N 0 0 378.432 3.319 20 30 GGEDRN COc1ccc(Br)cc1C[NH2+][C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832152691 601303121 /nfs/dbraw/zinc/30/31/21/601303121.db2.gz KGDKGXOOGKFPJW-MRXNPFEDSA-N 0 0 375.222 3.245 20 30 GGEDRN COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000832367459 601304218 /nfs/dbraw/zinc/30/42/18/601304218.db2.gz FIDHUDIOOFWPPN-VQIMIIECSA-N 0 0 385.851 3.214 20 30 GGEDRN N#Cc1cccc([C@@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)C(=O)[O-])c1 ZINC000833076713 601306546 /nfs/dbraw/zinc/30/65/46/601306546.db2.gz YEWFSQWVBPWCTB-CQSZACIVSA-N 0 0 399.756 3.420 20 30 GGEDRN CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)ccc2NC1=O ZINC000829170548 601306831 /nfs/dbraw/zinc/30/68/31/601306831.db2.gz VUOYQXJTNAKUQP-LWLIDHTLSA-N 0 0 379.416 3.144 20 30 GGEDRN CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)ccc2NC1=O ZINC000829170549 601307055 /nfs/dbraw/zinc/30/70/55/601307055.db2.gz VUOYQXJTNAKUQP-OYYNGEPBSA-N 0 0 379.416 3.144 20 30 GGEDRN COc1ccc(C(=O)C2CC[NH+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1 ZINC000832152623 601310482 /nfs/dbraw/zinc/31/04/82/601310482.db2.gz HWPPHQPJKRWQAV-HXUWFJFHSA-N 0 0 378.428 3.287 20 30 GGEDRN N#Cc1cccc([C@@H](C(=O)[O-])[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC000833074030 601310983 /nfs/dbraw/zinc/31/09/83/601310983.db2.gz MSLWBWOMFUXDIN-IBGZPJMESA-N 0 0 376.416 3.076 20 30 GGEDRN COc1ccc(C[N@H+](C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC(F)F ZINC000832310434 601311787 /nfs/dbraw/zinc/31/17/87/601311787.db2.gz ANDKAZFLAUSFNL-QGZVFWFLSA-N 0 0 376.359 3.426 20 30 GGEDRN N#Cc1cccc([C@H](C(=O)[O-])[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000833074166 601312326 /nfs/dbraw/zinc/31/23/26/601312326.db2.gz QKFFQLMRPCOWHF-CRAIPNDOSA-N 0 0 398.850 3.083 20 30 GGEDRN N#Cc1cccc([C@@H](C(=O)[O-])[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000833073813 601314474 /nfs/dbraw/zinc/31/44/74/601314474.db2.gz ILNNKFNIFKWOEU-IBGZPJMESA-N 0 0 381.407 3.174 20 30 GGEDRN N#Cc1cccc([C@@H](C(=O)[O-])[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000833073581 601314550 /nfs/dbraw/zinc/31/45/50/601314550.db2.gz FAGFHLPARWEULV-IBGZPJMESA-N 0 0 387.443 3.349 20 30 GGEDRN C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000827687008 601316247 /nfs/dbraw/zinc/31/62/47/601316247.db2.gz HYRIOCQRCIDIKU-KDOFPFPSSA-N 0 0 387.480 3.309 20 30 GGEDRN CC(=O)N1CCCCC[C@@H]1C1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000825834905 601317395 /nfs/dbraw/zinc/31/73/95/601317395.db2.gz ZNNBYFPLZIUHKV-NHCUHLMSSA-N 0 0 383.492 3.187 20 30 GGEDRN N#Cc1cccc([C@@H](C(=O)[O-])[N@@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)c1 ZINC000833073891 601322482 /nfs/dbraw/zinc/32/24/82/601322482.db2.gz JOXRKNANVUSBRH-BBRMVZONSA-N 0 0 378.354 3.305 20 30 GGEDRN N#Cc1cccc([C@@H](C(=O)[O-])[N@@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)c1 ZINC000833073892 601322648 /nfs/dbraw/zinc/32/26/48/601322648.db2.gz JOXRKNANVUSBRH-CJNGLKHVSA-N 0 0 378.354 3.305 20 30 GGEDRN C[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830702048 601323928 /nfs/dbraw/zinc/32/39/28/601323928.db2.gz JNTURIRJQODYOF-MRXNPFEDSA-N 0 0 375.469 3.167 20 30 GGEDRN C[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830702500 601355687 /nfs/dbraw/zinc/35/56/87/601355687.db2.gz WRXCBGVSFKTHHC-MRXNPFEDSA-N 0 0 375.469 3.167 20 30 GGEDRN COc1cc(C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)ccc1OCc1cccc(C#N)c1 ZINC000831995370 601511012 /nfs/dbraw/zinc/51/10/12/601511012.db2.gz JLOMNBCJDMSKNI-KXBFYZLASA-N 0 0 380.444 3.298 20 30 GGEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c1C#N ZINC000832849972 601513699 /nfs/dbraw/zinc/51/36/99/601513699.db2.gz VFRUVHFSYYKARX-SCLBCKFNSA-N 0 0 386.496 3.073 20 30 GGEDRN N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3ccccc3[C@H]1C(=O)[O-])CCC2 ZINC000833067974 601545915 /nfs/dbraw/zinc/54/59/15/601545915.db2.gz KKUXWOKCZWJJQV-IBGZPJMESA-N 0 0 395.484 3.121 20 30 GGEDRN CC[C@@](C)(CC(=O)[O-])[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000828658094 601556896 /nfs/dbraw/zinc/55/68/96/601556896.db2.gz QMNZKCAZIXVFDM-NRFANRHFSA-N 0 0 382.464 3.137 20 30 GGEDRN Cc1sc(C(=O)[O-])cc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000833032648 601625831 /nfs/dbraw/zinc/62/58/31/601625831.db2.gz KGOUHMJQBGRFRP-UHFFFAOYSA-N 0 0 383.473 3.477 20 30 GGEDRN CCC(CC)(CC(=O)[O-])[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 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CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000044116089 1403878561 /nfs/dbraw/zinc/87/85/61/1403878561.db2.gz IAZHHLUYBMFELC-IBGZPJMESA-N 0 0 378.432 3.340 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000044116070 1403878694 /nfs/dbraw/zinc/87/86/94/1403878694.db2.gz HQXZKGLRBJLQMU-IBGZPJMESA-N 0 0 378.432 3.340 20 30 GGEDRN C=C(C)CNC(=S)N1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000044136125 1403882119 /nfs/dbraw/zinc/88/21/19/1403882119.db2.gz DKUOYPRPNUNDGA-INIZCTEOSA-N 0 0 385.537 3.174 20 30 GGEDRN C=C(C)CNC(=S)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000044159155 1403891287 /nfs/dbraw/zinc/89/12/87/1403891287.db2.gz RKESICIKSLXDRK-HNNXBMFYSA-N 0 0 385.455 3.409 20 30 GGEDRN C=C(C)CNC(=S)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000044159157 1403891667 /nfs/dbraw/zinc/89/16/67/1403891667.db2.gz RKESICIKSLXDRK-OAHLLOKOSA-N 0 0 385.455 3.409 20 30 GGEDRN C[C@@H](NC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)c1ccc(C#N)cc1 ZINC000044171979 1403892763 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CCNC(=O)c1ccc(CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 ZINC000044532360 1403945067 /nfs/dbraw/zinc/94/50/67/1403945067.db2.gz PNOQBZIXVSKWTF-UHFFFAOYSA-N 0 0 396.516 3.037 20 30 GGEDRN COC(=O)COc1ccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 ZINC000044545012 1403947623 /nfs/dbraw/zinc/94/76/23/1403947623.db2.gz RUOBHVADDWAVMQ-UHFFFAOYSA-N 0 0 399.472 3.161 20 30 GGEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000044552035 1403948916 /nfs/dbraw/zinc/94/89/16/1403948916.db2.gz SFRKMQQSQHYFIN-PBHICJAKSA-N 0 0 388.876 3.369 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(OC)nc2)cc1 ZINC000056593781 1407372395 /nfs/dbraw/zinc/37/23/95/1407372395.db2.gz AFLDOBRABXJSEU-UHFFFAOYSA-N 0 0 380.448 3.226 20 30 GGEDRN COc1ccccc1C(=O)C(C(=S)NCc1cccs1)[n+]1cccc([O-])c1 ZINC000044558038 1403950552 /nfs/dbraw/zinc/95/05/52/1403950552.db2.gz IXRYDKOVJQBDRF-UHFFFAOYSA-O 0 0 399.517 3.478 20 30 GGEDRN N#Cc1ccccc1OCC(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000044578598 1403955724 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BZWHXAXOPSIDAO-CABCVRRESA-N 0 0 392.459 3.487 20 30 GGEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC(=O)N1CCCC1 ZINC000056595624 1407373425 /nfs/dbraw/zinc/37/34/25/1407373425.db2.gz YMKKMVFNLJGVSH-UHFFFAOYSA-N 0 0 378.432 3.403 20 30 GGEDRN C[C@H](NC(=O)CSCC#N)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000044635447 1403968927 /nfs/dbraw/zinc/96/89/27/1403968927.db2.gz UFWJSHIVZVNQPX-AWEZNQCLSA-N 0 0 385.464 3.441 20 30 GGEDRN Cc1nc(NC(=O)CCc2nc(-c3ccccn3)no2)sc1SCC#N ZINC000044789378 1404002840 /nfs/dbraw/zinc/00/28/40/1404002840.db2.gz PCGSIAZTOBFAKE-UHFFFAOYSA-N 0 0 386.462 3.084 20 30 GGEDRN CCCOc1ccc(C(=O)CCC(=O)N=C2NCCS2)cc1OCCC ZINC000044817115 1404006635 /nfs/dbraw/zinc/00/66/35/1404006635.db2.gz MCZNHDYLJULQOG-UHFFFAOYSA-N 0 0 378.494 3.446 20 30 GGEDRN CCn1c(C)cc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1C ZINC000044896299 1404018170 /nfs/dbraw/zinc/01/81/70/1404018170.db2.gz QSAHCFKAFXFMSL-UHFFFAOYSA-N 0 0 393.447 3.207 20 30 GGEDRN CCCn1c2ccccc2c2nnc(SCC(=O)N[C@@](C)(C#N)C3CC3)nc21 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1404077608 /nfs/dbraw/zinc/07/76/08/1404077608.db2.gz PTIKAPAGVPOPKZ-FQEVSTJZSA-N 0 0 379.460 3.028 20 30 GGEDRN N#Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000045224641 1404077622 /nfs/dbraw/zinc/07/76/22/1404077622.db2.gz WCBOZMFGMKKEJP-UHFFFAOYSA-N 0 0 397.500 3.053 20 30 GGEDRN N#Cc1ccc(CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1 ZINC000045224621 1404077672 /nfs/dbraw/zinc/07/76/72/1404077672.db2.gz WYDJFMIFGSXAKX-UHFFFAOYSA-N 0 0 382.470 3.187 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000045233155 1404079008 /nfs/dbraw/zinc/07/90/08/1404079008.db2.gz NNMCSFOFZXERRD-LJQANCHMSA-N 0 0 377.423 3.362 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000045233156 1404079069 /nfs/dbraw/zinc/07/90/69/1404079069.db2.gz NNMCSFOFZXERRD-IBGZPJMESA-N 0 0 377.423 3.362 20 30 GGEDRN COc1ccc([C@@H](C)NC(=O)CCc2c(C)nn(CCC#N)c2C)c(OC)c1 ZINC000045242524 1404081770 /nfs/dbraw/zinc/08/17/70/1404081770.db2.gz JERLCJUHFCQVIS-CQSZACIVSA-N 0 0 384.480 3.241 20 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C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCc2ccccc2F)cc1 ZINC000046102648 1404295830 /nfs/dbraw/zinc/29/58/30/1404295830.db2.gz ZQTODDVSQORXHN-UHFFFAOYSA-N 0 0 376.453 3.204 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1 ZINC000046102391 1404295855 /nfs/dbraw/zinc/29/58/55/1404295855.db2.gz ZTYSCTZMHVVBLA-UHFFFAOYSA-N 0 0 381.457 3.294 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)COc2cccc(Cl)c2)cc1 ZINC000046102262 1404295998 /nfs/dbraw/zinc/29/59/98/1404295998.db2.gz XVDMDXWIHCCFAV-UHFFFAOYSA-N 0 0 394.880 3.164 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2sc(CCC)nc2C)cc1 ZINC000046104583 1404296703 /nfs/dbraw/zinc/29/67/03/1404296703.db2.gz LECFTDAYVMWEBD-UHFFFAOYSA-N 0 0 393.534 3.463 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(F)c2)cc1 ZINC000046103931 1404296976 /nfs/dbraw/zinc/29/69/76/1404296976.db2.gz CGJDKOGWENDQCM-CQSZACIVSA-N 0 0 392.452 3.038 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)C2Cc3ccccc3C2)cc1 ZINC000056659764 1407395501 /nfs/dbraw/zinc/39/55/01/1407395501.db2.gz YCXUPEKKQPMSOG-UHFFFAOYSA-N 0 0 399.516 3.124 20 30 GGEDRN COc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c(C(F)(F)F)c1 ZINC000046153668 1404313074 /nfs/dbraw/zinc/31/30/74/1404313074.db2.gz XQXVKASLXBYPND-UHFFFAOYSA-N 0 0 393.365 3.462 20 30 GGEDRN COc1ccccc1NC(=O)c1ccc(NCC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000046170561 1404318067 /nfs/dbraw/zinc/31/80/67/1404318067.db2.gz WHNNHLHRPYSIHK-JOCHJYFZSA-N 0 0 394.475 3.414 20 30 GGEDRN CC(C)(C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000046194842 1404327438 /nfs/dbraw/zinc/32/74/38/1404327438.db2.gz FEOZIQIFQQBTNL-FQEVSTJZSA-N 0 0 375.472 3.457 20 30 GGEDRN CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000046194841 1404327570 /nfs/dbraw/zinc/32/75/70/1404327570.db2.gz FEOZIQIFQQBTNL-HXUWFJFHSA-N 0 0 375.472 3.457 20 30 GGEDRN N#Cc1ccccc1-c1ccccc1C(=O)NCCNC(=O)c1cccs1 ZINC000046200939 1404330082 /nfs/dbraw/zinc/33/00/82/1404330082.db2.gz FJTBPAFBHBOQBA-UHFFFAOYSA-N 0 0 375.453 3.447 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1cccc(Cl)c1Cl ZINC000046205909 1404330814 /nfs/dbraw/zinc/33/08/14/1404330814.db2.gz OEYIJDQSHMAENG-UHFFFAOYSA-N 0 0 392.286 3.462 20 30 GGEDRN Cc1nc(SCC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)c(C#N)c(C)c1C ZINC000046225159 1404337281 /nfs/dbraw/zinc/33/72/81/1404337281.db2.gz ACAAFUVGVZSRBG-CQSZACIVSA-N 0 0 394.500 3.343 20 30 GGEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000046238175 1404341192 /nfs/dbraw/zinc/34/11/92/1404341192.db2.gz LLDNIBFQWHOGRA-INIZCTEOSA-N 0 0 386.373 3.226 20 30 GGEDRN CCOCCCNC(=O)c1cccc(NC(=O)CCc2ccc(C#N)cc2)c1 ZINC000046263112 1404349239 /nfs/dbraw/zinc/34/92/39/1404349239.db2.gz STLYAIWQDSXAGK-UHFFFAOYSA-N 0 0 379.460 3.286 20 30 GGEDRN CCN(CC)C(=O)Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000046266703 1404350168 /nfs/dbraw/zinc/35/01/68/1404350168.db2.gz HDKXFXDPNJKGHH-MRXNPFEDSA-N 0 0 379.460 3.375 20 30 GGEDRN C[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)N(C)c1ccccc1 ZINC000046340788 1404370794 /nfs/dbraw/zinc/37/07/94/1404370794.db2.gz POJWFKASOLWVCE-LJQANCHMSA-N 0 0 391.519 3.305 20 30 GGEDRN CC(=O)N[C@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(C)C ZINC000046346875 1404377266 /nfs/dbraw/zinc/37/72/66/1404377266.db2.gz GXSZNBMYZAXIIB-NRFANRHFSA-N 0 0 379.460 3.431 20 30 GGEDRN CC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000046346845 1404377460 /nfs/dbraw/zinc/37/74/60/1404377460.db2.gz XEPFSCSJVHENGC-OAQYLSRUSA-N 0 0 377.444 3.281 20 30 GGEDRN CCN1C[C@H](C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1=O ZINC000046347225 1404377735 /nfs/dbraw/zinc/37/77/35/1404377735.db2.gz VHHWQGZTICQEFL-GOSISDBHSA-N 0 0 377.444 3.139 20 30 GGEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000046356393 1404380700 /nfs/dbraw/zinc/38/07/00/1404380700.db2.gz SWXCLOVDBCAMDY-UHFFFAOYSA-N 0 0 384.342 3.047 20 30 GGEDRN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000046418837 1404407834 /nfs/dbraw/zinc/40/78/34/1404407834.db2.gz GXAFWGIRCDDORN-KRWDZBQOSA-N 0 0 383.835 3.464 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1ccccn1 ZINC000046419926 1404408881 /nfs/dbraw/zinc/40/88/81/1404408881.db2.gz BPBKJOPTXWZIIU-UHFFFAOYSA-N 0 0 391.221 3.237 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000046434482 1404413697 /nfs/dbraw/zinc/41/36/97/1404413697.db2.gz XKRIERCPPMKGSE-UHFFFAOYSA-N 0 0 391.460 3.241 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000046436524 1404414618 /nfs/dbraw/zinc/41/46/18/1404414618.db2.gz GYVVENVAXMHYIL-UHFFFAOYSA-N 0 0 383.402 3.087 20 30 GGEDRN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000046437249 1404415093 /nfs/dbraw/zinc/41/50/93/1404415093.db2.gz YNUJLACJFVBPCN-SFHVURJKSA-N 0 0 397.862 3.141 20 30 GGEDRN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000046437295 1404415110 /nfs/dbraw/zinc/41/51/10/1404415110.db2.gz PMDMDNYKGVRSKC-FQEVSTJZSA-N 0 0 391.471 3.220 20 30 GGEDRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)C(C#N)c2ccccn2)cc1 ZINC000046440188 1404415748 /nfs/dbraw/zinc/41/57/48/1404415748.db2.gz BTPMEHPMIRQHGR-LJQANCHMSA-N 0 0 391.452 3.397 20 30 GGEDRN N#C[C@H](C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccn1 ZINC000046439925 1404415778 /nfs/dbraw/zinc/41/57/78/1404415778.db2.gz NKRWQNYEFAVOJT-SFHVURJKSA-N 0 0 383.473 3.136 20 30 GGEDRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)C(C#N)c3ccccn3)cc2)C1 ZINC000046440342 1404416010 /nfs/dbraw/zinc/41/60/10/1404416010.db2.gz QOLAIBYEFYLRRJ-FCEWJHQRSA-N 0 0 397.500 3.238 20 30 GGEDRN COc1cc(CCC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000046440860 1404416745 /nfs/dbraw/zinc/41/67/45/1404416745.db2.gz KCQDXHKJFBOVEL-AWEZNQCLSA-N 0 0 379.416 3.398 20 30 GGEDRN CCN(CC)S(=O)(=O)c1cccc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c1 ZINC000046440656 1404416937 /nfs/dbraw/zinc/41/69/37/1404416937.db2.gz IMNXULLTCKAMAX-INIZCTEOSA-N 0 0 396.472 3.083 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000046442301 1404416970 /nfs/dbraw/zinc/41/69/70/1404416970.db2.gz WQCWZFFQHMZAJZ-UHFFFAOYSA-N 0 0 391.519 3.434 20 30 GGEDRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NCC#Cc1ccccc1 ZINC000046455963 1404424237 /nfs/dbraw/zinc/42/42/37/1404424237.db2.gz NVKOOSRSLDMJCC-LJQANCHMSA-N 0 0 396.874 3.121 20 30 GGEDRN C[C@H](C#N)CN(C)C(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000046457651 1404425416 /nfs/dbraw/zinc/42/54/16/1404425416.db2.gz MOLTZBNJOIXJGI-CJNGLKHVSA-N 0 0 396.413 3.170 20 30 GGEDRN CCc1nc(CN2CCN(C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)cs1 ZINC000056712900 1407405027 /nfs/dbraw/zinc/40/50/27/1407405027.db2.gz XRDQWFDLOKFVMH-HNNXBMFYSA-N 0 0 383.521 3.166 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000046509360 1404454680 /nfs/dbraw/zinc/45/46/80/1404454680.db2.gz WFHVRPQNJYIQNO-GOSISDBHSA-N 0 0 382.416 3.142 20 30 GGEDRN CCOc1cc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)ccc1OC ZINC000046515683 1404457670 /nfs/dbraw/zinc/45/76/70/1404457670.db2.gz QOWQGAGMMCUOSA-UHFFFAOYSA-N 0 0 393.447 3.196 20 30 GGEDRN C[C@@H](NC(=O)[C@@H](C)N(C)Cc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000046518732 1404458652 /nfs/dbraw/zinc/45/86/52/1404458652.db2.gz MJSFVKQYVRUGAP-HZPDHXFCSA-N 0 0 379.460 3.027 20 30 GGEDRN COc1ccc(CN(C)C(=O)[C@H](C)N(C)Cc2cccc(C#N)c2)cc1OC ZINC000046518818 1404458681 /nfs/dbraw/zinc/45/86/81/1404458681.db2.gz ZKCDECACZPQHAD-INIZCTEOSA-N 0 0 381.476 3.054 20 30 GGEDRN CCOC(=O)c1c(NC(=O)CN(C)Cc2ccc(C#N)cc2)sc2c1CCC2 ZINC000046519141 1404459015 /nfs/dbraw/zinc/45/90/15/1404459015.db2.gz AWXQGPFJPADWGE-UHFFFAOYSA-N 0 0 397.500 3.356 20 30 GGEDRN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC000046529415 1404464088 /nfs/dbraw/zinc/46/40/88/1404464088.db2.gz KJRXFWPZUHERHC-KRWDZBQOSA-N 0 0 392.503 3.038 20 30 GGEDRN CCN(CC)C(=O)c1cccc(NC(=O)CN(C)Cc2ccc(C#N)cc2)c1 ZINC000046527906 1404464163 /nfs/dbraw/zinc/46/41/63/1404464163.db2.gz GZUKDWQYTSGYEC-UHFFFAOYSA-N 0 0 378.476 3.111 20 30 GGEDRN C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N(C)Cc1ccc(C#N)cc1 ZINC000046530089 1404465340 /nfs/dbraw/zinc/46/53/40/1404465340.db2.gz ROCXJGLKPPSQPX-INIZCTEOSA-N 0 0 376.460 3.144 20 30 GGEDRN C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(C)Cc1ccc(C#N)cc1 ZINC000046530073 1404465430 /nfs/dbraw/zinc/46/54/30/1404465430.db2.gz AELZVIKUSJMLKL-INIZCTEOSA-N 0 0 376.460 3.144 20 30 GGEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC000046530260 1404465549 /nfs/dbraw/zinc/46/55/49/1404465549.db2.gz ONMVHHXTCQRKME-QGZVFWFLSA-N 0 0 376.460 3.334 20 30 GGEDRN CN(CC(=O)NCc1ccc(OC(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000046529607 1404465569 /nfs/dbraw/zinc/46/55/69/1404465569.db2.gz UUKQIWVSIGZUHA-UHFFFAOYSA-N 0 0 377.366 3.205 20 30 GGEDRN Cc1ccc(CNC(=O)c2nnc(CN(C)Cc3ccc(C#N)cc3)s2)cc1 ZINC000046530521 1404465757 /nfs/dbraw/zinc/46/57/57/1404465757.db2.gz XOBKNJRYIRMURI-UHFFFAOYSA-N 0 0 391.500 3.280 20 30 GGEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC000046530257 1404465765 /nfs/dbraw/zinc/46/57/65/1404465765.db2.gz ONMVHHXTCQRKME-KRWDZBQOSA-N 0 0 376.460 3.334 20 30 GGEDRN CC(C)CNC(=O)c1ccccc1NC(=O)CN(C)Cc1ccc(C#N)cc1 ZINC000046529454 1404465915 /nfs/dbraw/zinc/46/59/15/1404465915.db2.gz RVXPSSKZJJESJI-UHFFFAOYSA-N 0 0 378.476 3.015 20 30 GGEDRN Cn1c2ccccc2n(CCC(=O)Nc2cccc(C#Cc3ccccn3)c2)c1=O ZINC000046538510 1404469589 /nfs/dbraw/zinc/46/95/89/1404469589.db2.gz NLCRRXZGDZVYKM-UHFFFAOYSA-N 0 0 396.450 3.164 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000046550277 1404475166 /nfs/dbraw/zinc/47/51/66/1404475166.db2.gz MQIHEZMPCNWJAD-UHFFFAOYSA-N 0 0 393.491 3.221 20 30 GGEDRN CCN(CC)C(=O)c1cccc(NC(=O)CCc2c(C)nn(CCC#N)c2C)c1 ZINC000046550578 1404475254 /nfs/dbraw/zinc/47/52/54/1404475254.db2.gz PHHOGMAQOPTGPK-UHFFFAOYSA-N 0 0 395.507 3.467 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)NCc2ccccc2-n2ccnc2)cc1 ZINC000056720200 1407407748 /nfs/dbraw/zinc/40/77/48/1407407748.db2.gz UPIQCGVLCBHNLX-UHFFFAOYSA-N 0 0 375.432 3.110 20 30 GGEDRN N#Cc1cccc(CNC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)c1 ZINC000046580170 1404492712 /nfs/dbraw/zinc/49/27/12/1404492712.db2.gz SEOUWROUZUGRJK-UHFFFAOYSA-N 0 0 394.431 3.265 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)Oc1cccc(C(=O)NC2CC2)c1 ZINC000046603205 1404501762 /nfs/dbraw/zinc/50/17/62/1404501762.db2.gz OLFQSFYLHMBAAR-UHFFFAOYSA-N 0 0 394.427 3.224 20 30 GGEDRN COc1cc([C@@H](C)NC(=O)N(C)Cc2ccc(C#N)cc2)cc(OC)c1OC ZINC000046628447 1404519057 /nfs/dbraw/zinc/51/90/57/1404519057.db2.gz NPUXVMHUQYIADI-CQSZACIVSA-N 0 0 383.448 3.487 20 30 GGEDRN C#Cc1cccc(NC(=O)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000046646702 1404529838 /nfs/dbraw/zinc/52/98/38/1404529838.db2.gz LMPKNHVNHKHVMM-OAHLLOKOSA-N 0 0 377.444 3.208 20 30 GGEDRN CC(C)Oc1ccccc1[C@H](C)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000046648557 1404531847 /nfs/dbraw/zinc/53/18/47/1404531847.db2.gz RMZYGJHBOMZBMY-KRWDZBQOSA-N 0 0 393.491 3.333 20 30 GGEDRN CC(C)Oc1cccc([C@H](C)NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000046653342 1404535180 /nfs/dbraw/zinc/53/51/80/1404535180.db2.gz NNWQVOBJEMZNLB-KRWDZBQOSA-N 0 0 393.491 3.333 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC(=O)Nc2ccccc2)cc1 ZINC000056731770 1407412017 /nfs/dbraw/zinc/41/20/17/1407412017.db2.gz IAZHZSBJBBEFQM-UHFFFAOYSA-N 0 0 392.459 3.261 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000046667549 1404542409 /nfs/dbraw/zinc/54/24/09/1404542409.db2.gz DBLPYINEVLTVQL-UHFFFAOYSA-N 0 0 380.496 3.370 20 30 GGEDRN N#Cc1cc(NC(=O)Cc2ccc3c(c2)OCCO3)ccc1OCC(F)(F)F ZINC000046694012 1404555547 /nfs/dbraw/zinc/55/55/47/1404555547.db2.gz XHSPWIHDPGMWFE-UHFFFAOYSA-N 0 0 392.333 3.452 20 30 GGEDRN N#C[C@@H](C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1ccccn1 ZINC000046706023 1404558798 /nfs/dbraw/zinc/55/87/98/1404558798.db2.gz BAGRMJZTRFLYHJ-LJQANCHMSA-N 0 0 381.391 3.368 20 30 GGEDRN COc1cccc(CC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 ZINC000046707129 1404559701 /nfs/dbraw/zinc/55/97/01/1404559701.db2.gz FUPUWRZFDFTXGZ-OAHLLOKOSA-N 0 0 393.468 3.291 20 30 GGEDRN Cc1cccc(OCC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 ZINC000046707153 1404559750 /nfs/dbraw/zinc/55/97/50/1404559750.db2.gz AOPIUNBWBAKOTJ-HNNXBMFYSA-N 0 0 393.468 3.427 20 30 GGEDRN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1C#N ZINC000046761210 1404580886 /nfs/dbraw/zinc/58/08/86/1404580886.db2.gz IKFJOSWQLPIRRG-UHFFFAOYSA-N 0 0 392.371 3.408 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000046760537 1404580941 /nfs/dbraw/zinc/58/09/41/1404580941.db2.gz ZHCHWUFFLWTOHK-UHFFFAOYSA-N 0 0 393.443 3.274 20 30 GGEDRN CCOc1cc(CN(C)CC(=O)N[C@@](C)(C#N)C(C)C)ccc1OC(F)F ZINC000046777228 1404585586 /nfs/dbraw/zinc/58/55/86/1404585586.db2.gz NJUPEAKBZOJZFN-IBGZPJMESA-N 0 0 383.439 3.173 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000046785820 1404588983 /nfs/dbraw/zinc/58/89/83/1404588983.db2.gz SWUGBSAMBZRABX-UHFFFAOYSA-N 0 0 397.450 3.214 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000046802019 1404594115 /nfs/dbraw/zinc/59/41/15/1404594115.db2.gz BIYNSXDXRSZCPC-JOCHJYFZSA-N 0 0 379.504 3.458 20 30 GGEDRN Cc1ccc(CNC(=O)c2cccc(CNC(=O)N(C)C[C@@H](C)C#N)c2)cc1 ZINC000046805457 1404596196 /nfs/dbraw/zinc/59/61/96/1404596196.db2.gz OVHKTSBYQKWGPK-KRWDZBQOSA-N 0 0 378.476 3.226 20 30 GGEDRN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2)nc1 ZINC000046821151 1404603042 /nfs/dbraw/zinc/60/30/42/1404603042.db2.gz ORHCQHWKGUYQMB-LJQANCHMSA-N 0 0 376.460 3.072 20 30 GGEDRN C=CCOc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000046821923 1404603857 /nfs/dbraw/zinc/60/38/57/1404603857.db2.gz ZFHDATDGRZGAGR-GOSISDBHSA-N 0 0 379.460 3.446 20 30 GGEDRN CCOCCOCc1cccc(CNC(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000046829214 1404605227 /nfs/dbraw/zinc/60/52/27/1404605227.db2.gz LGAOUAOISYQVFQ-UHFFFAOYSA-N 0 0 381.476 3.453 20 30 GGEDRN C[C@H]1CCCC[C@H]1OCCNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000046830596 1404606307 /nfs/dbraw/zinc/60/63/07/1404606307.db2.gz YYEZFKSCMPXQRM-GHTZIAJQSA-N 0 0 384.524 3.375 20 30 GGEDRN C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000046830594 1404606490 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C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1cccc(N2CCOC2=O)c1 ZINC000065991067 1408769128 /nfs/dbraw/zinc/76/91/28/1408769128.db2.gz VNGNIXCACKKCKA-OAHLLOKOSA-N 0 0 378.432 3.417 20 30 GGEDRN C[C@@H](NC(=O)Nc1cccc(OCC#N)c1)c1ccc(N2CCOC2=O)cc1 ZINC000065993790 1408770213 /nfs/dbraw/zinc/77/02/13/1408770213.db2.gz QFXJHWSZBYCKRM-CQSZACIVSA-N 0 0 380.404 3.428 20 30 GGEDRN COc1cc(OCC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1[N+](=O)[O-] ZINC000066020670 1408775064 /nfs/dbraw/zinc/77/50/64/1408775064.db2.gz QIKMTHGJAPVZKN-UHFFFAOYSA-N 0 0 383.404 3.291 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000066025637 1408775397 /nfs/dbraw/zinc/77/53/97/1408775397.db2.gz ZCZIEFBRHOKVSF-UHFFFAOYSA-N 0 0 386.404 3.206 20 30 GGEDRN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1n[nH]c(-c2cccc3ccccc32)n1 ZINC000066045666 1408778299 /nfs/dbraw/zinc/77/82/99/1408778299.db2.gz PGCJPLHKEFHLSO-UHFFFAOYSA-N 0 0 377.364 3.408 20 30 GGEDRN COCCOc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cn1 ZINC000066179079 1408788163 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C=CCc1ccccc1OC[C@@H](O)CSc1nc2sccc2c(=O)n1C ZINC000066238958 1408793710 /nfs/dbraw/zinc/79/37/10/1408793710.db2.gz VWHIFLSXOBLMEQ-CQSZACIVSA-N 0 0 388.514 3.256 20 30 GGEDRN N#Cc1cnn(-c2ccc(C(=O)Nc3ccccc3OC(F)(F)F)cc2)c1N ZINC000066240073 1408793966 /nfs/dbraw/zinc/79/39/66/1408793966.db2.gz UTSWXYQEOMPARV-UHFFFAOYSA-N 0 0 387.321 3.477 20 30 GGEDRN COc1ccc(CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C2CC2)cc1 ZINC000066239882 1408793972 /nfs/dbraw/zinc/79/39/72/1408793972.db2.gz BJRVIYAZWIVUQI-UHFFFAOYSA-N 0 0 387.443 3.140 20 30 GGEDRN C[C@H](OCCCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccccc1 ZINC000066239918 1408793986 /nfs/dbraw/zinc/79/39/86/1408793986.db2.gz MGBUJFYWABKDIB-INIZCTEOSA-N 0 0 389.459 3.224 20 30 GGEDRN COc1ccc([C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C(C)C)cc1 ZINC000066240048 1408794032 /nfs/dbraw/zinc/79/40/32/1408794032.db2.gz UNCXRCWLRCTDQX-HXUWFJFHSA-N 0 0 389.459 3.462 20 30 GGEDRN N#Cc1cnn(-c2ccc(C(=O)NCCCCOc3ccc(F)cc3)cc2)c1N ZINC000066240011 1408794067 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C#CCOc1cccc(NC(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)c1 ZINC000078667805 1409932350 /nfs/dbraw/zinc/93/23/50/1409932350.db2.gz SVKJZRSGQURGTP-UHFFFAOYSA-N 0 0 389.459 3.089 20 30 GGEDRN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(C#N)c(Cl)c1 ZINC000078874253 1409939766 /nfs/dbraw/zinc/93/97/66/1409939766.db2.gz NQDNWQJHDGFBJX-ZDUSSCGKSA-N 0 0 382.851 3.412 20 30 GGEDRN N#Cc1cnn(-c2ccc(C(=O)Nc3c(F)cccc3N3CCCC3)cc2)c1N ZINC000078909684 1409942329 /nfs/dbraw/zinc/94/23/29/1409942329.db2.gz CCWPHOAVPSRLLM-UHFFFAOYSA-N 0 0 390.422 3.318 20 30 GGEDRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000079041893 1409952424 /nfs/dbraw/zinc/95/24/24/1409952424.db2.gz DOWDBRLNGYCAQX-HNNXBMFYSA-N 0 0 386.473 3.246 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000079119279 1409959969 /nfs/dbraw/zinc/95/99/69/1409959969.db2.gz NDGNLZXWMOYKMH-FQEVSTJZSA-N 0 0 391.475 3.186 20 30 GGEDRN CCn1c(SCC(=O)N(CCC#N)CCC#N)nnc1-c1cccc(C)c1 ZINC000079399100 1409974102 /nfs/dbraw/zinc/97/41/02/1409974102.db2.gz BUNYAMMQFKWXKT-UHFFFAOYSA-N 0 0 382.493 3.021 20 30 GGEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NC1CC1 ZINC000079433708 1409975809 /nfs/dbraw/zinc/97/58/09/1409975809.db2.gz REJATDUXLHQKTJ-GFCCVEGCSA-N 0 0 392.912 3.456 20 30 GGEDRN N#Cc1ccsc1N1CC[C@H](Nc2cccc(CN3CCCCC3=O)c2)C1=O ZINC000176745564 1428445414 /nfs/dbraw/zinc/44/54/14/1428445414.db2.gz IEKOHTQWBMWXBG-SFHVURJKSA-N 0 0 394.500 3.350 20 30 GGEDRN N#Cc1ccsc1N1CC[C@@H](Nc2cccc(CN3CCCCC3=O)c2)C1=O ZINC000176745546 1428445662 /nfs/dbraw/zinc/44/56/62/1428445662.db2.gz IEKOHTQWBMWXBG-GOSISDBHSA-N 0 0 394.500 3.350 20 30 GGEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)CS(C)(=O)=O ZINC000176747611 1428446385 /nfs/dbraw/zinc/44/63/85/1428446385.db2.gz JNPFDRQUNJWXFZ-OAHLLOKOSA-N 0 0 386.473 3.065 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C2CCCCC2)c1 ZINC000080375739 1410005393 /nfs/dbraw/zinc/00/53/93/1410005393.db2.gz FQRIUPFSAKXYLB-LJQANCHMSA-N 0 0 376.522 3.336 20 30 GGEDRN COc1cc(C)ccc1CNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000176754795 1428448959 /nfs/dbraw/zinc/44/89/59/1428448959.db2.gz DXQXLWBETOZEQG-UHFFFAOYSA-N 0 0 378.476 3.297 20 30 GGEDRN NC(COc1ccccc1)=NOCc1cc2c(cc1Br)OCCO2 ZINC000084553521 1410037166 /nfs/dbraw/zinc/03/71/66/1410037166.db2.gz XVONOAOUMXNQCQ-UHFFFAOYSA-N 0 0 393.237 3.088 20 30 GGEDRN COc1ccc([C@@H](C#N)N2CCN(C(=O)CS[C@@H](C)C(C)C)CC2)cc1 ZINC000086152356 1410043976 /nfs/dbraw/zinc/04/39/76/1410043976.db2.gz QOHRIVYEMUDGDE-QFBILLFUSA-N 0 0 375.538 3.182 20 30 GGEDRN CC(C)CC1(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCCC1 ZINC000087434102 1410048139 /nfs/dbraw/zinc/04/81/39/1410048139.db2.gz DERCCIGVKOTYQZ-UHFFFAOYSA-N 0 0 376.522 3.196 20 30 GGEDRN COC(=O)[C@@H](NCC(C)(C)c1ccc(OC)c(OC)c1)c1cccc(C#N)c1 ZINC000176759886 1428450940 /nfs/dbraw/zinc/45/09/40/1428450940.db2.gz LIYCETONXFODLK-FQEVSTJZSA-N 0 0 382.460 3.357 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N(CCc2ccccc2)[C@H]2CCOC2)cc1Cl ZINC000176760369 1428451555 /nfs/dbraw/zinc/45/15/55/1428451555.db2.gz UHEQOERLEKWFNW-KRWDZBQOSA-N 0 0 390.892 3.234 20 30 GGEDRN CC(C)(CCC#N)CNc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 ZINC000089792530 1410057466 /nfs/dbraw/zinc/05/74/66/1410057466.db2.gz LVXLIJKVRMTDBX-UHFFFAOYSA-N 0 0 376.476 3.228 20 30 GGEDRN Cc1nc(C(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)ccc1C#N ZINC000176765516 1428453314 /nfs/dbraw/zinc/45/33/14/1428453314.db2.gz CSYYZQQBUYAMHD-KRWDZBQOSA-N 0 0 375.350 3.494 20 30 GGEDRN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(Cc2cc(C#N)cs2)CC1 ZINC000091864459 1410088373 /nfs/dbraw/zinc/08/83/73/1410088373.db2.gz LHNBCGABPDXVSF-SFHVURJKSA-N 0 0 389.908 3.305 20 30 GGEDRN N#Cc1ccc(N2CC[C@H](N3CCC(OCc4ccccc4F)CC3)C2=O)cc1 ZINC000091868978 1410088419 /nfs/dbraw/zinc/08/84/19/1410088419.db2.gz RIAIYZXJSVOELR-QFIPXVFZSA-N 0 0 393.462 3.484 20 30 GGEDRN N#Cc1ccc(N2CC[C@H](N3CCC(OCc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000091889774 1410089912 /nfs/dbraw/zinc/08/99/12/1410089912.db2.gz GZFGEXSEWKEPDV-QFIPXVFZSA-N 0 0 393.462 3.484 20 30 GGEDRN COc1cc(OC)c(CN2CCN(c3cccc(F)c3C#N)CC2)c(OC)c1 ZINC000091918243 1410092002 /nfs/dbraw/zinc/09/20/02/1410092002.db2.gz CDTBAOJBOSVFFQ-UHFFFAOYSA-N 0 0 385.439 3.045 20 30 GGEDRN CCCc1nnc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)s1 ZINC000091922385 1410092148 /nfs/dbraw/zinc/09/21/48/1410092148.db2.gz OUQPABMKDITNOZ-UHFFFAOYSA-N 0 0 386.481 3.269 20 30 GGEDRN N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000176768807 1428454879 /nfs/dbraw/zinc/45/48/79/1428454879.db2.gz YCMHAWTYRUAFER-KRWDZBQOSA-N 0 0 391.496 3.344 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000091936541 1410094107 /nfs/dbraw/zinc/09/41/07/1410094107.db2.gz ZILXBCUXISSQSU-GOSISDBHSA-N 0 0 376.508 3.049 20 30 GGEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCc3cc(F)ccc3C2)cc1 ZINC000092006017 1410096556 /nfs/dbraw/zinc/09/65/56/1410096556.db2.gz UULTUMFMJBIEMK-UHFFFAOYSA-N 0 0 386.448 3.102 20 30 GGEDRN Cc1cccc(C)c1NCC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092034835 1410099185 /nfs/dbraw/zinc/09/91/85/1410099185.db2.gz NOTIBDHMJWHBMN-UHFFFAOYSA-N 0 0 378.476 3.488 20 30 GGEDRN Cc1c(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)oc2c1C(=O)CCC2 ZINC000092035614 1410099820 /nfs/dbraw/zinc/09/98/20/1410099820.db2.gz JLJPMXMYNBHYFS-UHFFFAOYSA-N 0 0 393.443 3.494 20 30 GGEDRN Cc1noc(Cl)c1CCC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092035141 1410099994 /nfs/dbraw/zinc/09/99/94/1410099994.db2.gz ISQVFFSBWINWAS-UHFFFAOYSA-N 0 0 388.855 3.342 20 30 GGEDRN C[C@@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)n1cnc2ccccc21 ZINC000092046213 1410100563 /nfs/dbraw/zinc/10/05/63/1410100563.db2.gz USLLXNOSNXLLMK-ZLPCBKJTSA-N 0 0 389.459 3.370 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)c3cc(F)cc4[nH]cnc43)CC2)nc1 ZINC000092046020 1410100785 /nfs/dbraw/zinc/10/07/85/1410100785.db2.gz IFPUSWDVGZNGTP-UHFFFAOYSA-N 0 0 379.395 3.089 20 30 GGEDRN CCCc1noc(CCCC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)n1 ZINC000092046349 1410101096 /nfs/dbraw/zinc/10/10/96/1410101096.db2.gz LXABGJJQZDOXRD-UHFFFAOYSA-N 0 0 397.479 3.118 20 30 GGEDRN N#CCOc1cccc(CC(=O)N2CCC(OCc3ccccc3F)CC2)c1 ZINC000092054972 1410103180 /nfs/dbraw/zinc/10/31/80/1410103180.db2.gz NHIASMGSHHPCAZ-UHFFFAOYSA-N 0 0 382.435 3.478 20 30 GGEDRN CC(C)Cn1cc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cn1 ZINC000092057592 1410103748 /nfs/dbraw/zinc/10/37/48/1410103748.db2.gz MIEGRSSQJJFQFZ-UHFFFAOYSA-N 0 0 382.468 3.317 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)NCCc3cccc(F)c3)CC2)nc1 ZINC000092149606 1410113151 /nfs/dbraw/zinc/11/31/51/1410113151.db2.gz DLJJOSQVECGJMY-UHFFFAOYSA-N 0 0 382.439 3.324 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)NCCCOc3ccccc3)CC2)nc1 ZINC000092162174 1410113949 /nfs/dbraw/zinc/11/39/49/1410113949.db2.gz KNLAMNHHFNHWLZ-UHFFFAOYSA-N 0 0 394.475 3.412 20 30 GGEDRN CN(CCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000092162790 1410114265 /nfs/dbraw/zinc/11/42/65/1410114265.db2.gz DPUSNUUPVBPTFF-UHFFFAOYSA-N 0 0 393.491 3.079 20 30 GGEDRN Cn1cc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c(-c2cccs2)n1 ZINC000092165207 1410114564 /nfs/dbraw/zinc/11/45/64/1410114564.db2.gz NEZMAJLSWGFYDC-SFHVURJKSA-N 0 0 391.500 3.171 20 30 GGEDRN CO[C@@H](CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000092165170 1410114721 /nfs/dbraw/zinc/11/47/21/1410114721.db2.gz AJFQKYQRTCTAJT-MHJFOBGBSA-N 0 0 394.475 3.330 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)Nc3ccc4c(c3)COC4)CC2)nc1 ZINC000092185534 1410116920 /nfs/dbraw/zinc/11/69/20/1410116920.db2.gz PNBCNJRJSTWZBM-UHFFFAOYSA-N 0 0 378.432 3.495 20 30 GGEDRN C[C@@H](Cc1ccc(O)cc1)NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092195133 1410119650 /nfs/dbraw/zinc/11/96/50/1410119650.db2.gz IWFWAQZYTPDMJD-IJNIYJAUSA-N 0 0 394.475 3.279 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)NCc3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000092219990 1410121708 /nfs/dbraw/zinc/12/17/08/1410121708.db2.gz OKYKLNUXYKDLAE-UHFFFAOYSA-N 0 0 395.419 3.051 20 30 GGEDRN Cn1cc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C(C)(C)C)n1 ZINC000092243971 1410128726 /nfs/dbraw/zinc/12/87/26/1410128726.db2.gz GUXUEDMLGIVZIZ-HNNXBMFYSA-N 0 0 383.471 3.127 20 30 GGEDRN COc1ccc(CN(c2ccncc2)S(=O)(=O)c2ccccc2C#N)cc1 ZINC000092254019 1410130229 /nfs/dbraw/zinc/13/02/29/1410130229.db2.gz QYVZDPAJFSRMAD-UHFFFAOYSA-N 0 0 379.441 3.357 20 30 GGEDRN COc1ccc(CN(c2ccncc2)S(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000092254013 1410130245 /nfs/dbraw/zinc/13/02/45/1410130245.db2.gz OAFBKLYBQPCDFK-UHFFFAOYSA-N 0 0 393.468 3.498 20 30 GGEDRN N#Cc1ccc(OC2CCC(NS(=O)(=O)c3ccc4c(c3)CCC4)CC2)nc1 ZINC000092269511 1410130940 /nfs/dbraw/zinc/13/09/40/1410130940.db2.gz WLOARQADYABHNC-UHFFFAOYSA-N 0 0 397.500 3.110 20 30 GGEDRN Cc1ccc(S(=O)(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1F ZINC000092269723 1410131054 /nfs/dbraw/zinc/13/10/54/1410131054.db2.gz ZAQPIZGDWLFLOM-UHFFFAOYSA-N 0 0 389.452 3.069 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)N2CCC(OCc3ccccc3F)CC2)c1 ZINC000092269764 1410131206 /nfs/dbraw/zinc/13/12/06/1410131206.db2.gz AFMOQKIKHJRSJU-UHFFFAOYSA-N 0 0 388.464 3.208 20 30 GGEDRN Cc1cccc(S(=O)(=O)N2CCC(OCc3ccccc3F)CC2)c1C#N ZINC000092270010 1410131887 /nfs/dbraw/zinc/13/18/87/1410131887.db2.gz ISFHIEZBHBUDII-UHFFFAOYSA-N 0 0 388.464 3.376 20 30 GGEDRN CC(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092286945 1410134748 /nfs/dbraw/zinc/13/47/48/1410134748.db2.gz YTWSBXREQBBMIH-CKVGWXAMSA-N 0 0 386.496 3.004 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)NCc3nc(C4CC4)cs3)CC2)nc1 ZINC000092292972 1410136620 /nfs/dbraw/zinc/13/66/20/1410136620.db2.gz ZNBIUIAFKLGTFP-UHFFFAOYSA-N 0 0 397.504 3.477 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)N[C@H]3CCOC4(CCCC4)C3)CC2)nc1 ZINC000092293812 1410136903 /nfs/dbraw/zinc/13/69/03/1410136903.db2.gz YPSHEKODDAWUCU-XBMUEBEBSA-N 0 0 398.507 3.434 20 30 GGEDRN CCOCCC1(CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000092316422 1410138129 /nfs/dbraw/zinc/13/81/29/1410138129.db2.gz XSIGIAYZYCDQIX-UHFFFAOYSA-N 0 0 386.496 3.149 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ncn(-c3ccccc3)n2)c1C ZINC000092356367 1410142039 /nfs/dbraw/zinc/14/20/39/1410142039.db2.gz JISUKWNUSNYVBX-UHFFFAOYSA-N 0 0 383.415 3.194 20 30 GGEDRN C=CCN(Cc1ccc(OC)c(OCCC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361405 1410143498 /nfs/dbraw/zinc/14/34/98/1410143498.db2.gz XHOOJMZSWHGKIU-GOSISDBHSA-N 0 0 381.538 3.295 20 30 GGEDRN C=CCN(Cc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361363 1410143630 /nfs/dbraw/zinc/14/36/30/1410143630.db2.gz LIZLGPKAMYTXES-LJQANCHMSA-N 0 0 381.501 3.201 20 30 GGEDRN C=CCN(Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361084 1410143677 /nfs/dbraw/zinc/14/36/77/1410143677.db2.gz YZUOMFCTDIGVRY-MRXNPFEDSA-N 0 0 399.438 3.066 20 30 GGEDRN CC(C)(CNC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccncc1 ZINC000092378070 1410146782 /nfs/dbraw/zinc/14/67/82/1410146782.db2.gz OISJPRUJCBXDOR-UHFFFAOYSA-N 0 0 382.489 3.120 20 30 GGEDRN COC(=O)c1cccc(CCNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000092404417 1410152118 /nfs/dbraw/zinc/15/21/18/1410152118.db2.gz PFEOZYVTLQKVFM-NHCUHLMSSA-N 0 0 391.471 3.497 20 30 GGEDRN COC(=O)c1cccc(CCNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000092404413 1410152206 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/nfs/dbraw/zinc/57/98/99/1411579899.db2.gz YCCDKUPWRPYIPT-UHFFFAOYSA-N 0 0 383.358 3.325 20 30 GGEDRN CCOC(=O)c1c(NC(=O)CN(CC)C[C@H](C)C#N)sc2c1CC[C@@H](C)C2 ZINC000108708094 1411580534 /nfs/dbraw/zinc/58/05/34/1411580534.db2.gz RJXQNROPUKRAGN-ZIAGYGMSSA-N 0 0 391.537 3.470 20 30 GGEDRN N#Cc1ccc(OCc2nnnn2-c2ccc(OC(F)F)cc2)c(Cl)c1 ZINC000108714523 1411583159 /nfs/dbraw/zinc/58/31/59/1411583159.db2.gz WVEXHHIDRZAQRY-UHFFFAOYSA-N 0 0 377.738 3.368 20 30 GGEDRN Cc1c(C(=O)Nc2ccc(F)c(C#N)c2)nnn1-c1ccc(OC(F)F)cc1 ZINC000108721168 1411584295 /nfs/dbraw/zinc/58/42/95/1411584295.db2.gz CKJOYSKZNUZRJF-UHFFFAOYSA-N 0 0 387.321 3.440 20 30 GGEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCS(C)(=O)=O ZINC000108720872 1411584310 /nfs/dbraw/zinc/58/43/10/1411584310.db2.gz BAPCIFVMEAOPSP-UHFFFAOYSA-N 0 0 386.473 3.209 20 30 GGEDRN CCOC1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000108716993 1411584492 /nfs/dbraw/zinc/58/44/92/1411584492.db2.gz CZGWENNRGGQDST-UHFFFAOYSA-N 0 0 384.480 3.057 20 30 GGEDRN C#CCOc1ccccc1OC(=O)c1nnn(-c2cccc3cnccc32)c1C ZINC000108725169 1411586288 /nfs/dbraw/zinc/58/62/88/1411586288.db2.gz UPSYOYJJLRGFLY-UHFFFAOYSA-N 0 0 384.395 3.355 20 30 GGEDRN N#Cc1ccc(CSCC(=O)Nc2cc(C3CC3)nn2-c2ncccn2)cc1 ZINC000108727430 1411587149 /nfs/dbraw/zinc/58/71/49/1411587149.db2.gz VUZAHQAAQOTLHU-UHFFFAOYSA-N 0 0 390.472 3.283 20 30 GGEDRN CC(C)c1cc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)n(-c2ncccn2)n1 ZINC000108731033 1411589454 /nfs/dbraw/zinc/58/94/54/1411589454.db2.gz HIYUUYLSFRBPQR-AWEZNQCLSA-N 0 0 376.420 3.063 20 30 GGEDRN CN(CC(=O)N(c1ccccc1)C1CCCC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000108745177 1411596146 /nfs/dbraw/zinc/59/61/46/1411596146.db2.gz GYTVLQXCWKVRBU-UHFFFAOYSA-N 0 0 397.500 3.155 20 30 GGEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N(c2ccccc2)C2CCCC2)cc1 ZINC000108745894 1411596358 /nfs/dbraw/zinc/59/63/58/1411596358.db2.gz GHBMLFBRUBBYCZ-UHFFFAOYSA-N 0 0 397.500 3.468 20 30 GGEDRN CCOC(=O)c1cc(S(=O)(=O)N(CCC#N)c2ccccc2)ccc1F ZINC000108759975 1411600589 /nfs/dbraw/zinc/60/05/89/1411600589.db2.gz SASGLRJEZZJRSS-UHFFFAOYSA-N 0 0 376.409 3.111 20 30 GGEDRN COc1ccc(S(=O)(=O)N(CCC#N)c2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000108760875 1411600935 /nfs/dbraw/zinc/60/09/35/1411600935.db2.gz DIJUHTRKDCURKN-UHFFFAOYSA-N 0 0 375.406 3.021 20 30 GGEDRN C#Cc1cccc(N(C)S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000108759681 1411601137 /nfs/dbraw/zinc/60/11/37/1411601137.db2.gz MZNGBYOIZDEZJZ-UHFFFAOYSA-N 0 0 395.234 3.164 20 30 GGEDRN N#CCCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(F)cc1Cl ZINC000108761578 1411601328 /nfs/dbraw/zinc/60/13/28/1411601328.db2.gz YTCBVBMXNMWMMX-UHFFFAOYSA-N 0 0 396.827 3.359 20 30 GGEDRN CCOC(=O)c1cc(S(=O)(=O)N(CCC#N)c2ccc(C)cc2)ccc1F ZINC000108759720 1411601443 /nfs/dbraw/zinc/60/14/43/1411601443.db2.gz DMYXVKUCJQWBJL-UHFFFAOYSA-N 0 0 390.436 3.420 20 30 GGEDRN N#CCCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc(Cl)c1F ZINC000108761730 1411602208 /nfs/dbraw/zinc/60/22/08/1411602208.db2.gz JMJYWMHQTQUPNM-UHFFFAOYSA-N 0 0 396.827 3.359 20 30 GGEDRN Cc1ccc(C(=O)Nc2cccc3ccccc32)cc1S(=O)(=O)NCC#N ZINC000108768921 1411603569 /nfs/dbraw/zinc/60/35/69/1411603569.db2.gz XZHXZZIUUBKAGH-UHFFFAOYSA-N 0 0 379.441 3.202 20 30 GGEDRN Cc1cc(C)c2c(c1)N(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)CCC2 ZINC000108795568 1411613538 /nfs/dbraw/zinc/61/35/38/1411613538.db2.gz KLUPLXXJATUQGS-UHFFFAOYSA-N 0 0 397.500 3.007 20 30 GGEDRN CC(=O)N[C@@H](CC(=O)N[C@@H](C#N)c1ccccc1F)c1c(F)cccc1F ZINC000108798906 1411614746 /nfs/dbraw/zinc/61/47/46/1411614746.db2.gz MPYOCUZEWLKMKC-IRXDYDNUSA-N 0 0 375.350 3.052 20 30 GGEDRN N#C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccccc1F ZINC000108801258 1411615951 /nfs/dbraw/zinc/61/59/51/1411615951.db2.gz DRRXOZRULYHVIG-KXBFYZLASA-N 0 0 383.398 3.198 20 30 GGEDRN N#C[C@H](NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccccc1F ZINC000108799983 1411616091 /nfs/dbraw/zinc/61/60/91/1411616091.db2.gz QSSWVBLDMYBRBB-JXFKEZNVSA-N 0 0 397.425 3.127 20 30 GGEDRN N#C[C@H](NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1ccccc1F ZINC000108800031 1411616146 /nfs/dbraw/zinc/61/61/46/1411616146.db2.gz RPUONMWDOADFIM-NRFANRHFSA-N 0 0 393.462 3.378 20 30 GGEDRN N#C[C@@H](NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1ccccc1F ZINC000108801465 1411616155 /nfs/dbraw/zinc/61/61/55/1411616155.db2.gz CTRQCEZWSXJQKC-CYBMUJFWSA-N 0 0 385.292 3.495 20 30 GGEDRN COc1nn(C)c2nc(C)c(CCC(=O)N[C@@H](C#N)c3ccccc3F)c(C)c12 ZINC000108800023 1411616501 /nfs/dbraw/zinc/61/65/01/1411616501.db2.gz KVHSTZHJZJIGSC-KRWDZBQOSA-N 0 0 395.438 3.047 20 30 GGEDRN CSc1ccc(N2C[C@H](C(=O)N[C@@H](C#N)c3ccccc3F)CC2=O)cc1 ZINC000108799240 1411616631 /nfs/dbraw/zinc/61/66/31/1411616631.db2.gz LSUCINGYZYIMGG-ACJLOTCBSA-N 0 0 383.448 3.282 20 30 GGEDRN C=CCn1c(C)cc(C(=O)COC(=O)c2ccc(-n3c(C)c[nH]c3=O)cc2)c1C ZINC000108802187 1411617325 /nfs/dbraw/zinc/61/73/25/1411617325.db2.gz YZESSUOAONMJMJ-UHFFFAOYSA-N 0 0 393.443 3.118 20 30 GGEDRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H](C#N)c3ccccc3F)C2)cc1 ZINC000108803675 1411617567 /nfs/dbraw/zinc/61/75/67/1411617567.db2.gz VCBSNPAKOVCVAF-PXNSSMCTSA-N 0 0 379.435 3.367 20 30 GGEDRN Cn1c(SCC(=O)N[C@H](C#N)c2ccccc2F)nnc1-c1cccs1 ZINC000108802515 1411617646 /nfs/dbraw/zinc/61/76/46/1411617646.db2.gz NPBZGGVLXAHYRA-CYBMUJFWSA-N 0 0 387.465 3.156 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)Cc2cc3ccccc3[nH]c2=O)cc1 ZINC000108808732 1411618378 /nfs/dbraw/zinc/61/83/78/1411618378.db2.gz IODLXMKQPKKXOQ-UHFFFAOYSA-N 0 0 375.428 3.416 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)Cc2csc(-c3cnccn3)n2)cc1 ZINC000108808277 1411618649 /nfs/dbraw/zinc/61/86/49/1411618649.db2.gz SBLZLLCMTREVGF-UHFFFAOYSA-N 0 0 393.472 3.488 20 30 GGEDRN C=C1c2ccccc2C(=O)N1CC(=O)N(CCC#N)c1ccc(OCC)cc1 ZINC000108808232 1411618702 /nfs/dbraw/zinc/61/87/02/1411618702.db2.gz ZWGGTUUCMPFAFZ-UHFFFAOYSA-N 0 0 375.428 3.459 20 30 GGEDRN N#Cc1ccsc1N1CC[C@H](N2CCC(c3c[nH]c4ncccc34)CC2)C1=O ZINC000177078818 1428580972 /nfs/dbraw/zinc/58/09/72/1428580972.db2.gz KRNHUKANAGCCFP-SFHVURJKSA-N 0 0 391.500 3.481 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)CCn2cnc3sccc3c2=O)cc1 ZINC000108809025 1411619314 /nfs/dbraw/zinc/61/93/14/1411619314.db2.gz NLLHNACPZXBVSX-UHFFFAOYSA-N 0 0 396.472 3.194 20 30 GGEDRN N#Cc1ccsc1N1CC[C@H](N2CCC(Oc3ccc(F)cc3)CC2)C1=O ZINC000177079927 1428581115 /nfs/dbraw/zinc/58/11/15/1428581115.db2.gz PSEBQDHSVZORMM-SFHVURJKSA-N 0 0 385.464 3.408 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC000108816904 1411621995 /nfs/dbraw/zinc/62/19/95/1411621995.db2.gz VBLFJOHOTLGANJ-NSHDSACASA-N 0 0 384.490 3.361 20 30 GGEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000108821088 1411623307 /nfs/dbraw/zinc/62/33/07/1411623307.db2.gz AZBXLJRSTJGIKB-CEXWTWQISA-N 0 0 395.503 3.230 20 30 GGEDRN Cc1ccc2ncc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c(=O)n2c1 ZINC000108819609 1411623331 /nfs/dbraw/zinc/62/33/31/1411623331.db2.gz BMDAAEAEOHQPGY-CQSZACIVSA-N 0 0 387.226 3.304 20 30 GGEDRN C=CCOc1cccc(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 ZINC000108870312 1411628709 /nfs/dbraw/zinc/62/87/09/1411628709.db2.gz QCCMDDCTLJLYNM-OYHNWAKOSA-N 0 0 399.491 3.327 20 30 GGEDRN CCN(C(=O)c1cnn2c1[nH]c(=O)c1ccccc12)[C@H](C)c1ccc(C#N)cc1 ZINC000108878204 1411629807 /nfs/dbraw/zinc/62/98/07/1411629807.db2.gz NGSBPIUEQPJTMQ-CQSZACIVSA-N 0 0 385.427 3.271 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCOc2ccccc21 ZINC000108886883 1411632249 /nfs/dbraw/zinc/63/22/49/1411632249.db2.gz JXYAMBWMYUZDFN-IBGZPJMESA-N 0 0 379.460 3.283 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000108902524 1411636385 /nfs/dbraw/zinc/63/63/85/1411636385.db2.gz USNNVWVXWBHVKR-UHFFFAOYSA-N 0 0 376.416 3.155 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)c2ccccc2NCc2cccnc2)c1 ZINC000177085430 1428582812 /nfs/dbraw/zinc/58/28/12/1428582812.db2.gz FHGMVKPQWJVIFV-UHFFFAOYSA-N 0 0 384.439 3.044 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@H]2CCOc3ccccc32)cc1 ZINC000108936529 1411645622 /nfs/dbraw/zinc/64/56/22/1411645622.db2.gz UETCARGPWBWAQV-OAHLLOKOSA-N 0 0 377.444 3.109 20 30 GGEDRN Cc1sc(NC(=O)CN2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000177096581 1428587099 /nfs/dbraw/zinc/58/70/99/1428587099.db2.gz HUNDZGXJFPVNJY-AWEZNQCLSA-N 0 0 392.525 3.022 20 30 GGEDRN Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC000108937815 1411646658 /nfs/dbraw/zinc/64/66/58/1411646658.db2.gz HSJHDQOURPILGZ-UYAOXDASSA-N 0 0 389.455 3.195 20 30 GGEDRN Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)nnn1-c1ccc(F)c(Cl)c1 ZINC000108937855 1411646825 /nfs/dbraw/zinc/64/68/25/1411646825.db2.gz CVDGRFRRBJJHNN-CQSZACIVSA-N 0 0 397.797 3.329 20 30 GGEDRN Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)nnn1-c1cccc2cnccc21 ZINC000108937860 1411646856 /nfs/dbraw/zinc/64/68/56/1411646856.db2.gz QNVHQFBWSAKUBP-GOSISDBHSA-N 0 0 396.410 3.085 20 30 GGEDRN N#Cc1ccc(OCC(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)cc1 ZINC000108949194 1411647252 /nfs/dbraw/zinc/64/72/52/1411647252.db2.gz SABZCOLJKJFWGV-UHFFFAOYSA-N 0 0 390.374 3.362 20 30 GGEDRN CN(Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)Cc1cccc(C#N)c1 ZINC000108965136 1411650114 /nfs/dbraw/zinc/65/01/14/1411650114.db2.gz BBZKTRNVEJUVTO-UHFFFAOYSA-N 0 0 385.468 3.333 20 30 GGEDRN CCOC(=O)CN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(C)C ZINC000108975248 1411651994 /nfs/dbraw/zinc/65/19/94/1411651994.db2.gz CNXMMAYNGLTIIU-UHFFFAOYSA-N 0 0 388.512 3.304 20 30 GGEDRN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)C[C@H](C)C#N ZINC000108975538 1411652537 /nfs/dbraw/zinc/65/25/37/1411652537.db2.gz YJRCFSULFKPIAL-OAHLLOKOSA-N 0 0 393.491 3.395 20 30 GGEDRN Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1F ZINC000108990792 1411656264 /nfs/dbraw/zinc/65/62/64/1411656264.db2.gz JLMFXSTVZZDLKA-CQSZACIVSA-N 0 0 378.407 3.275 20 30 GGEDRN Cc1nccn1-c1ccc(CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1F ZINC000108990795 1411656361 /nfs/dbraw/zinc/65/63/61/1411656361.db2.gz JLMFXSTVZZDLKA-AWEZNQCLSA-N 0 0 378.407 3.275 20 30 GGEDRN N#CCCN(CCC#N)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000109010451 1411660351 /nfs/dbraw/zinc/66/03/51/1411660351.db2.gz AULQZFRVJDDQAN-UHFFFAOYSA-N 0 0 376.445 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Cc1ccc(-c2cncc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2)cc1 ZINC000177228344 1428641718 /nfs/dbraw/zinc/64/17/18/1428641718.db2.gz DAJGUFDUKOFXQO-UHFFFAOYSA-N 0 0 383.455 3.286 20 30 GGEDRN N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc2nncn2c1 ZINC000113652286 1412330749 /nfs/dbraw/zinc/33/07/49/1412330749.db2.gz GRAUGBOGZIJDQV-CYBMUJFWSA-N 0 0 387.371 3.005 20 30 GGEDRN N#C[C@@H](C(=O)[C@H]1COc2ccccc21)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000113651216 1412330915 /nfs/dbraw/zinc/33/09/15/1412330915.db2.gz SJEBLUQLCFWORL-KBPBESRZSA-N 0 0 391.452 3.216 20 30 GGEDRN Cn1c2ccccc2nc1[C@H](C#N)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000113650814 1412330963 /nfs/dbraw/zinc/33/09/63/1412330963.db2.gz OUFROKLNUHCOAJ-GOSISDBHSA-N 0 0 399.454 3.477 20 30 GGEDRN N#C[C@H](C(=O)[C@@H]1COc2ccccc21)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000113651210 1412331062 /nfs/dbraw/zinc/33/10/62/1412331062.db2.gz SJEBLUQLCFWORL-ZIAGYGMSSA-N 0 0 391.452 3.216 20 30 GGEDRN N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2nncn2c1 ZINC000113652861 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380.322 3.047 20 30 GGEDRN CCCC[C@H](CC)CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000113779242 1412342701 /nfs/dbraw/zinc/34/27/01/1412342701.db2.gz FQDSMUKGANADRK-MAUKXSAKSA-N 0 0 384.480 3.096 20 30 GGEDRN Cc1cc(Cl)ccc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000113780652 1412342733 /nfs/dbraw/zinc/34/27/33/1412342733.db2.gz JMEGBEWUKKEXAU-KRWDZBQOSA-N 0 0 396.834 3.364 20 30 GGEDRN N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3cccc(Cl)c3)C2=O)cc1 ZINC000113780075 1412342741 /nfs/dbraw/zinc/34/27/41/1412342741.db2.gz DETGWJRYBSRONY-MRXNPFEDSA-N 0 0 382.807 3.055 20 30 GGEDRN N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000113780192 1412342852 /nfs/dbraw/zinc/34/28/52/1412342852.db2.gz WVEUGWQWWLMRJU-INIZCTEOSA-N 0 0 382.807 3.055 20 30 GGEDRN CC(C)CCC[C@H](C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000113781856 1412342861 /nfs/dbraw/zinc/34/28/61/1412342861.db2.gz MHKWLMXLGPKFOY-YJBOKZPZSA-N 0 0 384.480 3.094 20 30 GGEDRN CCCC[C@@H](CC)CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000113779239 1412342867 /nfs/dbraw/zinc/34/28/67/1412342867.db2.gz FQDSMUKGANADRK-CRAIPNDOSA-N 0 0 384.480 3.096 20 30 GGEDRN Cc1c(Cl)cccc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000113780708 1412342905 /nfs/dbraw/zinc/34/29/05/1412342905.db2.gz RFPBVJBANDLFGO-KRWDZBQOSA-N 0 0 396.834 3.364 20 30 GGEDRN CCCC[C@H](CC)CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000113779249 1412342929 /nfs/dbraw/zinc/34/29/29/1412342929.db2.gz FQDSMUKGANADRK-YJBOKZPZSA-N 0 0 384.480 3.096 20 30 GGEDRN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)NC(N)=O)n2)o1 ZINC000113778789 1412342940 /nfs/dbraw/zinc/34/29/40/1412342940.db2.gz ZHDPNPUDSPUUKS-MRVPVSSYSA-N 0 0 398.366 3.216 20 30 GGEDRN N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3cccc(Cl)c3)C2=O)cc1 ZINC000113780077 1412342971 /nfs/dbraw/zinc/34/29/71/1412342971.db2.gz DETGWJRYBSRONY-INIZCTEOSA-N 0 0 382.807 3.055 20 30 GGEDRN COc1cc(C)sc1C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000113808475 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WURVLCPODQHTEN-NRFANRHFSA-N 0 0 388.427 3.070 20 30 GGEDRN C[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000115598294 1412726623 /nfs/dbraw/zinc/72/66/23/1412726623.db2.gz QWSYIDMMUIPYJX-SJCJKPOMSA-N 0 0 377.366 3.377 20 30 GGEDRN N#Cc1ccc([C@H](NCc2ccc(Oc3cccc(F)c3)nc2)C(N)=O)cc1 ZINC000115598904 1412727264 /nfs/dbraw/zinc/72/72/64/1412727264.db2.gz UOMCZSRBZPXGIQ-FQEVSTJZSA-N 0 0 376.391 3.201 20 30 GGEDRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCC(=O)Nc1sccc1C#N ZINC000115612124 1412733514 /nfs/dbraw/zinc/73/35/14/1412733514.db2.gz KLBFMRIEMQDISV-CYBMUJFWSA-N 0 0 391.518 3.045 20 30 GGEDRN COc1ccc(CN[C@H](C)c2nnnn2-c2ccccc2)cc1OCCCC#N ZINC000115630637 1412738472 /nfs/dbraw/zinc/73/84/72/1412738472.db2.gz JZXYSYHSGVICMW-MRXNPFEDSA-N 0 0 392.463 3.204 20 30 GGEDRN C=C(C)COc1cc(CN[C@H](C)c2nnnn2-c2ccccc2)ccc1OC ZINC000115631480 1412738899 /nfs/dbraw/zinc/73/88/99/1412738899.db2.gz KAUPLTUQGNDKTM-MRXNPFEDSA-N 0 0 379.464 3.477 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)[C@@H](Oc3ccccc3)c3ccccc3)CC2)nc1 ZINC000115660702 1412750141 /nfs/dbraw/zinc/75/01/41/1412750141.db2.gz NABZXQXSARYDCN-QHCPKHFHSA-N 0 0 398.466 3.422 20 30 GGEDRN Cn1c2ccccc2c(Cl)c1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000115666833 1412753065 /nfs/dbraw/zinc/75/30/65/1412753065.db2.gz ADVNUZKMHHSAIU-UHFFFAOYSA-N 0 0 379.851 3.061 20 30 GGEDRN Cc1cccnc1[C@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)C(C)C ZINC000115692453 1412763606 /nfs/dbraw/zinc/76/36/06/1412763606.db2.gz WFTXAZJFVPUUBN-HXUWFJFHSA-N 0 0 377.492 3.491 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1nnnn1-c1ccccc1 ZINC000115706110 1412768503 /nfs/dbraw/zinc/76/85/03/1412768503.db2.gz RLCGARQLIVVALA-MRXNPFEDSA-N 0 0 389.463 3.217 20 30 GGEDRN COc1ccc([C@@H]2[C@H](C(=O)OCc3ccc(C#N)cc3)CCC(=O)N2C)cc1 ZINC000115736642 1412775768 /nfs/dbraw/zinc/77/57/68/1412775768.db2.gz NDICMJFQSVCFHE-TZIWHRDSSA-N 0 0 378.428 3.220 20 30 GGEDRN COc1ccc([C@H]2[C@@H](C(=O)OCc3ccc(C#N)cc3)CCC(=O)N2C)cc1 ZINC000115736650 1412775988 /nfs/dbraw/zinc/77/59/88/1412775988.db2.gz NDICMJFQSVCFHE-FPOVZHCZSA-N 0 0 378.428 3.220 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000115760450 1412781424 /nfs/dbraw/zinc/78/14/24/1412781424.db2.gz HJNVSDZBKDFNBE-IBGZPJMESA-N 0 0 378.476 3.393 20 30 GGEDRN C[C@H](NC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000115762013 1412782402 /nfs/dbraw/zinc/78/24/02/1412782402.db2.gz ZSWYIPFZMCDFQX-JXFKEZNVSA-N 0 0 376.460 3.456 20 30 GGEDRN Cc1sc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(C#N)c1C ZINC000177295165 1428675672 /nfs/dbraw/zinc/67/56/72/1428675672.db2.gz KGBRBJCKBLVJRO-LBPRGKRZSA-N 0 0 392.525 3.116 20 30 GGEDRN CCOC(=O)c1ccc(C#N)c(SCCCS(=O)(=O)c2ccccc2)n1 ZINC000115813531 1412796234 /nfs/dbraw/zinc/79/62/34/1412796234.db2.gz UVYJAGZSRRNPBW-UHFFFAOYSA-N 0 0 390.486 3.086 20 30 GGEDRN CCOC(=O)c1c(NC(=O)CN(C)C[C@H](C)C#N)sc2c1CC[C@@H](C)C2 ZINC000115818612 1412798098 /nfs/dbraw/zinc/79/80/98/1412798098.db2.gz BMDSQXTVYFNCDY-CHWSQXEVSA-N 0 0 377.510 3.080 20 30 GGEDRN C[C@H](C#N)CN(C)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000115818436 1412798201 /nfs/dbraw/zinc/79/82/01/1412798201.db2.gz YUJGGUHGOKWTHL-MRXNPFEDSA-N 0 0 375.476 3.258 20 30 GGEDRN C=CCN(CC=C)C(=O)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000115869311 1412804661 /nfs/dbraw/zinc/80/46/61/1412804661.db2.gz JFUSJFLGWDNERS-HHHXNRCGSA-N 0 0 382.485 3.134 20 30 GGEDRN Cc1ccnc(-c2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(C#N)cc3)cc2)n1 ZINC000115868894 1412804664 /nfs/dbraw/zinc/80/46/64/1412804664.db2.gz KUWCAGKOWLFSSF-OAHLLOKOSA-N 0 0 385.427 3.140 20 30 GGEDRN C#Cc1cccc(NC(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)c1 ZINC000115876913 1412806522 /nfs/dbraw/zinc/80/65/22/1412806522.db2.gz TYHBEHWNIMAMCH-UHFFFAOYSA-N 0 0 397.272 3.217 20 30 GGEDRN COc1ccc([C@H](NCC(=O)N[C@](C)(C#N)C2CC2)c2ccc(F)cc2)cc1 ZINC000115886683 1412810189 /nfs/dbraw/zinc/81/01/89/1412810189.db2.gz BIMKDLQNHLQKOC-FGZHOGPDSA-N 0 0 381.451 3.322 20 30 GGEDRN C[C@H]1CCC[C@@H](CCNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000115891745 1412811090 /nfs/dbraw/zinc/81/10/90/1412811090.db2.gz ZUJKEKXYNJWNGJ-STQMWFEESA-N 0 0 379.407 3.431 20 30 GGEDRN C[C@@H]1CCC[C@@H](CCNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000115891743 1412811220 /nfs/dbraw/zinc/81/12/20/1412811220.db2.gz ZUJKEKXYNJWNGJ-OLZOCXBDSA-N 0 0 379.407 3.431 20 30 GGEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@@H]2CCc3ccccc32)cc1OC ZINC000115904763 1412813734 /nfs/dbraw/zinc/81/37/34/1412813734.db2.gz IDZDUQVYXNEERB-MAUKXSAKSA-N 0 0 378.428 3.471 20 30 GGEDRN Cc1sc(=O)n(CCC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc32)c1C ZINC000115904266 1412813750 /nfs/dbraw/zinc/81/37/50/1412813750.db2.gz DFLLBOWOQJOQOW-KRWDZBQOSA-N 0 0 393.468 3.418 20 30 GGEDRN CCc1nc(COc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3)cc2)no1 ZINC000115903805 1412813826 /nfs/dbraw/zinc/81/38/26/1412813826.db2.gz MZKJDXBSKAJOJI-QGZVFWFLSA-N 0 0 390.399 3.172 20 30 GGEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c[nH]c3ccc(F)cc23)cc1OC ZINC000115904746 1412813830 /nfs/dbraw/zinc/81/38/30/1412813830.db2.gz IYADIJSRETUUDB-MRXNPFEDSA-N 0 0 395.390 3.214 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C[C@@H]2CCc3ccccc32)cc1 ZINC000115905782 1412814024 /nfs/dbraw/zinc/81/40/24/1412814024.db2.gz WTFUPJIMEFALOO-GHTZIAJQSA-N 0 0 376.456 3.183 20 30 GGEDRN CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)C[C@H]2CCc3ccccc32)cc1 ZINC000115905630 1412814068 /nfs/dbraw/zinc/81/40/68/1412814068.db2.gz KSIZLYIMAVIQQO-YLJYHZDGSA-N 0 0 389.455 3.156 20 30 GGEDRN N#Cc1cccc(OCc2cccc(C(=O)OCCN3CCCCC3=O)c2)c1 ZINC000115914084 1412814765 /nfs/dbraw/zinc/81/47/65/1412814765.db2.gz KQRXYNYGGVZKBP-UHFFFAOYSA-N 0 0 378.428 3.307 20 30 GGEDRN Cc1nccn1-c1ccccc1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000115958482 1412817789 /nfs/dbraw/zinc/81/77/89/1412817789.db2.gz LGYGZZDFYNXLDV-UHFFFAOYSA-N 0 0 386.864 3.184 20 30 GGEDRN CCOC(=O)CCS(=O)(=O)O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC000115958268 1412817880 /nfs/dbraw/zinc/81/78/80/1412817880.db2.gz AWRFJRGVLICSGV-GFCCVEGCSA-N 0 0 388.791 3.113 20 30 GGEDRN C=CCNC(=O)c1ccccc1NC(=O)CCCN(C)C(=O)OC(C)(C)C ZINC000116021567 1412822391 /nfs/dbraw/zinc/82/23/91/1412822391.db2.gz BOZAQCUKKQDJMU-UHFFFAOYSA-N 0 0 375.469 3.188 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000116039798 1412824231 /nfs/dbraw/zinc/82/42/31/1412824231.db2.gz IQECVTMPHPNVDP-UHFFFAOYSA-N 0 0 383.423 3.188 20 30 GGEDRN N#Cc1ccc(C(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)nc1 ZINC000116088311 1412830207 /nfs/dbraw/zinc/83/02/07/1412830207.db2.gz SMUDUIVZUDWEGM-UHFFFAOYSA-N 0 0 391.452 3.321 20 30 GGEDRN N#CC1(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)CCOCC1 ZINC000116100176 1412831932 /nfs/dbraw/zinc/83/19/32/1412831932.db2.gz SOFMQHDYABOORB-MHZLTWQESA-N 0 0 382.485 3.394 20 30 GGEDRN CC(C)CN(C)c1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000116102776 1412832493 /nfs/dbraw/zinc/83/24/93/1412832493.db2.gz YWKPXGHIXDEGNB-UHFFFAOYSA-N 0 0 377.492 3.008 20 30 GGEDRN Cc1ccccc1NC(=O)CON=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000116104338 1412832798 /nfs/dbraw/zinc/83/27/98/1412832798.db2.gz PQNQQAVBYKHNHK-UHFFFAOYSA-N 0 0 390.443 3.245 20 30 GGEDRN COCCCn1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)n1 ZINC000116156561 1412838008 /nfs/dbraw/zinc/83/80/08/1412838008.db2.gz RUOVTPPDMGKJTM-UHFFFAOYSA-N 0 0 380.404 3.216 20 30 GGEDRN C=C(Br)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC ZINC000116181541 1412840364 /nfs/dbraw/zinc/84/03/64/1412840364.db2.gz ISAZNGWPSNCISC-AWEZNQCLSA-N 0 0 399.285 3.286 20 30 GGEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)CCCc1cccs1 ZINC000116207029 1412842755 /nfs/dbraw/zinc/84/27/55/1412842755.db2.gz UGVXKDBYFLMHBJ-UHFFFAOYSA-N 0 0 394.456 3.310 20 30 GGEDRN N#CCCN(Cc1cccnc1)C(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000116351464 1412851756 /nfs/dbraw/zinc/85/17/56/1412851756.db2.gz QSRHGXZRKNDNER-UHFFFAOYSA-N 0 0 389.434 3.451 20 30 GGEDRN N#CCCN(Cc1ccco1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC000116411916 1412856511 /nfs/dbraw/zinc/85/65/11/1412856511.db2.gz CIGWGDPTRLDAFU-UHFFFAOYSA-N 0 0 394.456 3.473 20 30 GGEDRN CN(Cc1nnc2ccccn21)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000116413029 1412856543 /nfs/dbraw/zinc/85/65/43/1412856543.db2.gz GYKGHUUHOAZTEK-UHFFFAOYSA-N 0 0 387.399 3.045 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)N[C@H]3C[C@@H]3c3c(F)cccc3F)CC2)nc1 ZINC000116428472 1412858709 /nfs/dbraw/zinc/85/87/09/1412858709.db2.gz AMVHKILGCFBXCK-YJBOKZPZSA-N 0 0 397.429 3.056 20 30 GGEDRN N#CCOc1cccc(CNC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)c1 ZINC000116432623 1412859273 /nfs/dbraw/zinc/85/92/73/1412859273.db2.gz REKNKXSGBHMDFI-SFHVURJKSA-N 0 0 382.439 3.196 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000116457668 1412863159 /nfs/dbraw/zinc/86/31/59/1412863159.db2.gz SWJIFRASFRBUDW-GOSISDBHSA-N 0 0 382.460 3.093 20 30 GGEDRN Cn1c(SCc2nnc(-c3cccc(C#N)c3)o2)nnc1-c1ccncc1 ZINC000116478556 1412865853 /nfs/dbraw/zinc/86/58/53/1412865853.db2.gz RWZZJCSNTLCCDO-UHFFFAOYSA-N 0 0 375.417 3.091 20 30 GGEDRN CCC[C@H](C#N)NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C ZINC000116488168 1412867388 /nfs/dbraw/zinc/86/73/88/1412867388.db2.gz FZUIATDBTBUIQD-MRXNPFEDSA-N 0 0 389.452 3.357 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC000116490269 1412867441 /nfs/dbraw/zinc/86/74/41/1412867441.db2.gz GGQBMBKVDARYTF-HXUWFJFHSA-N 0 0 398.528 3.388 20 30 GGEDRN CCC[C@H](C#N)NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000116488114 1412867477 /nfs/dbraw/zinc/86/74/77/1412867477.db2.gz LOTMUQKNXWHXKS-MRXNPFEDSA-N 0 0 381.398 3.366 20 30 GGEDRN CCC[C@@H](C#N)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000116488199 1412867510 /nfs/dbraw/zinc/86/75/10/1412867510.db2.gz KXHXTAZJGFVHDL-HNNXBMFYSA-N 0 0 397.928 3.327 20 30 GGEDRN CCCC(C)(C)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000116488287 1412867540 /nfs/dbraw/zinc/86/75/40/1412867540.db2.gz ILNJAIAAZNZLKL-PGMHBOJBSA-N 0 0 380.514 3.200 20 30 GGEDRN C[C@@H](NC(=O)N1CCN(Cc2ccc(Cl)nc2)CC1)c1ccc(C#N)cc1 ZINC000116490925 1412867768 /nfs/dbraw/zinc/86/77/68/1412867768.db2.gz KUAKEWKUBIHDHH-OAHLLOKOSA-N 0 0 383.883 3.195 20 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ZINC000116582162 1412881963 /nfs/dbraw/zinc/88/19/63/1412881963.db2.gz LYJYFSFQZXNEIS-QGZVFWFLSA-N 0 0 385.508 3.216 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000116584336 1412882915 /nfs/dbraw/zinc/88/29/15/1412882915.db2.gz VJZNTSPWBQBCIP-CRAIPNDOSA-N 0 0 399.397 3.258 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)ccc1Cl ZINC000116584776 1412882964 /nfs/dbraw/zinc/88/29/64/1412882964.db2.gz COJWNDGLQWODMD-XHDPSFHLSA-N 0 0 375.762 3.101 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000116585084 1412883194 /nfs/dbraw/zinc/88/31/94/1412883194.db2.gz SBOLZKATXGKQTG-PBHICJAKSA-N 0 0 383.398 3.377 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000116585083 1412883221 /nfs/dbraw/zinc/88/32/21/1412883221.db2.gz SBOLZKATXGKQTG-RHSMWYFYSA-N 0 0 383.398 3.377 20 30 GGEDRN C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1cccc(F)c1 ZINC000116593195 1412884859 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3.434 20 30 GGEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCC(=O)N2CCCC2)c1 ZINC000116623095 1412888292 /nfs/dbraw/zinc/88/82/92/1412888292.db2.gz FAUKZNVZDPSMFJ-UHFFFAOYSA-N 0 0 383.835 3.356 20 30 GGEDRN CC[C@@H]1C(=O)NCCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000116641100 1412890345 /nfs/dbraw/zinc/89/03/45/1412890345.db2.gz UEFUDELHNPYQGA-QGZVFWFLSA-N 0 0 383.835 3.355 20 30 GGEDRN CC[C@H]1C(=O)NCCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000116641101 1412890432 /nfs/dbraw/zinc/89/04/32/1412890432.db2.gz UEFUDELHNPYQGA-KRWDZBQOSA-N 0 0 383.835 3.355 20 30 GGEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCn3cnnc3C2)c1 ZINC000116645294 1412891180 /nfs/dbraw/zinc/89/11/80/1412891180.db2.gz KILXXIVLDLACKL-UHFFFAOYSA-N 0 0 379.807 3.251 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(OCC(C)C)nc1 ZINC000116650620 1412891566 /nfs/dbraw/zinc/89/15/66/1412891566.db2.gz ZNVZMXQGIKMHRQ-UHFFFAOYSA-N 0 0 392.463 3.219 20 30 GGEDRN Cc1ccc(OC2CCN(C(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)CC2)cc1 ZINC000116653005 1412892011 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GGEDRN Cc1ccc(N(CCC#N)C(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000116712645 1412902175 /nfs/dbraw/zinc/90/21/75/1412902175.db2.gz RPWKURBNBBXLOX-UHFFFAOYSA-N 0 0 399.516 3.227 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1 ZINC000116712682 1412903201 /nfs/dbraw/zinc/90/32/01/1412903201.db2.gz OMZDDQBJPFSWRW-UHFFFAOYSA-N 0 0 376.391 3.241 20 30 GGEDRN C=CCn1c(=O)c2c3c(sc2nc1SCCn1cncn1)CCCCC3 ZINC000116720218 1412903779 /nfs/dbraw/zinc/90/37/79/1412903779.db2.gz VCWWOFCBMCPFBA-UHFFFAOYSA-N 0 0 387.534 3.297 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)c1cccnc1Br ZINC000177317522 1428685362 /nfs/dbraw/zinc/68/53/62/1428685362.db2.gz DETFRIABYNUPCV-UHFFFAOYSA-N 0 0 376.279 3.379 20 30 GGEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCC[C@@H]2C(N)=O)c1 ZINC000116724776 1412905930 /nfs/dbraw/zinc/90/59/30/1412905930.db2.gz ULQFMCUCMWXVDQ-QGZVFWFLSA-N 0 0 383.835 3.484 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)c1 ZINC000177319003 1428686093 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COc1ccc(-c2nnc(SCC(=O)N[C@]3(C#N)CCC[C@@H](C)C3)o2)cc1 ZINC000116799643 1412925413 /nfs/dbraw/zinc/92/54/13/1412925413.db2.gz ILRAYPKWTLCHJD-BFUOFWGJSA-N 0 0 386.477 3.426 20 30 GGEDRN COc1cccc(-n2c(C)nnc2SCC(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1 ZINC000116802910 1412925630 /nfs/dbraw/zinc/92/56/30/1412925630.db2.gz SWBCGTVYTKJSPR-XOBRGWDASA-N 0 0 399.520 3.265 20 30 GGEDRN C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000116810617 1412926442 /nfs/dbraw/zinc/92/64/42/1412926442.db2.gz ITHQYCOHZFBJKJ-LPMFXHHGSA-N 0 0 377.485 3.475 20 30 GGEDRN C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000116809554 1412926576 /nfs/dbraw/zinc/92/65/76/1412926576.db2.gz FBSOTFLXMGOZSD-ORAYPTAESA-N 0 0 395.500 3.105 20 30 GGEDRN C[C@@H]1CCC[C@@](C#N)(NC(=O)CCCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000116805291 1412926630 /nfs/dbraw/zinc/92/66/30/1412926630.db2.gz NUUHDSDPDFOXTK-OXQOHEQNSA-N 0 0 392.521 3.228 20 30 GGEDRN C[C@H]1CCC[C@](C#N)(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)C1 ZINC000116807089 1412926715 /nfs/dbraw/zinc/92/67/15/1412926715.db2.gz FGFKRAFDKVLKDR-MBSDFSHPSA-N 0 0 397.519 3.283 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000116809556 1412926797 /nfs/dbraw/zinc/92/67/97/1412926797.db2.gz FBSOTFLXMGOZSD-YJYMSZOUSA-N 0 0 395.500 3.105 20 30 GGEDRN C[C@H]1CCC[C@](C#N)(NC(=O)CCCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000116805297 1412927124 /nfs/dbraw/zinc/92/71/24/1412927124.db2.gz NUUHDSDPDFOXTK-JXFKEZNVSA-N 0 0 392.521 3.228 20 30 GGEDRN C[C@H]1CCC[C@](C#N)(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000116804374 1412927146 /nfs/dbraw/zinc/92/71/46/1412927146.db2.gz MCHRVWACDHMWJO-JXFKEZNVSA-N 0 0 389.521 3.063 20 30 GGEDRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)ccc1C ZINC000116812771 1412928158 /nfs/dbraw/zinc/92/81/58/1412928158.db2.gz HGMLHVPUDCLQLJ-MGPUTAFESA-N 0 0 391.537 3.228 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000116811922 1412928169 /nfs/dbraw/zinc/92/81/69/1412928169.db2.gz SFZVSQIFPYQOLE-IERDGZPVSA-N 0 0 399.516 3.097 20 30 GGEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)C1 ZINC000116814698 1412928360 /nfs/dbraw/zinc/92/83/60/1412928360.db2.gz BFDZUCDBPNNNAK-PEBXRYMYSA-N 0 0 391.427 3.278 20 30 GGEDRN C#Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000177322182 1428688592 /nfs/dbraw/zinc/68/85/92/1428688592.db2.gz WFAIVKNZXAIQPH-LBPRGKRZSA-N 0 0 394.818 3.187 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000177321868 1428688607 /nfs/dbraw/zinc/68/86/07/1428688607.db2.gz JLBMAPFFMXLUGL-LLVKDONJSA-N 0 0 395.806 3.078 20 30 GGEDRN C=CC[C@H](C)NC(=O)c1cn(CCC#N)nc1-c1ccc(OC)c([N+](=O)[O-])c1 ZINC000116849437 1412942754 /nfs/dbraw/zinc/94/27/54/1412942754.db2.gz RFQGNGHYAFECDW-ZDUSSCGKSA-N 0 0 383.408 3.075 20 30 GGEDRN C=CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 ZINC000116863655 1412943265 /nfs/dbraw/zinc/94/32/65/1412943265.db2.gz RFWLUNRODLOXBW-HNNXBMFYSA-N 0 0 388.489 3.215 20 30 GGEDRN C=CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000116860215 1412943376 /nfs/dbraw/zinc/94/33/76/1412943376.db2.gz RDAKNPRBZBLILD-INIZCTEOSA-N 0 0 392.565 3.466 20 30 GGEDRN C=CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000116858413 1412943385 /nfs/dbraw/zinc/94/33/85/1412943385.db2.gz FUVFYACPWDSOKU-INIZCTEOSA-N 0 0 390.549 3.047 20 30 GGEDRN C=CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 ZINC000116863656 1412943457 /nfs/dbraw/zinc/94/34/57/1412943457.db2.gz RFWLUNRODLOXBW-OAHLLOKOSA-N 0 0 388.489 3.215 20 30 GGEDRN C=CC[C@@H](C)NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC ZINC000116858403 1412943469 /nfs/dbraw/zinc/94/34/69/1412943469.db2.gz OUFBOWNNMPXJTG-CQSZACIVSA-N 0 0 378.428 3.186 20 30 GGEDRN C=CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 ZINC000116857736 1412943558 /nfs/dbraw/zinc/94/35/58/1412943558.db2.gz QHIXOWLIOZFNKN-AWEZNQCLSA-N 0 0 390.530 3.190 20 30 GGEDRN C=CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000116862077 1412943830 /nfs/dbraw/zinc/94/38/30/1412943830.db2.gz BBBMOBMGOKATQZ-INIZCTEOSA-N 0 0 386.517 3.321 20 30 GGEDRN C=CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000116862080 1412943858 /nfs/dbraw/zinc/94/38/58/1412943858.db2.gz BBBMOBMGOKATQZ-MRXNPFEDSA-N 0 0 386.517 3.321 20 30 GGEDRN Cc1ccc(-c2csc(CC(N)=NOCC(=O)N3CCCC[C@@H]3C)n2)cc1 ZINC000116873899 1412946426 /nfs/dbraw/zinc/94/64/26/1412946426.db2.gz TXFJMIAMNBNVIK-HNNXBMFYSA-N 0 0 386.521 3.351 20 30 GGEDRN CC(C)OC(=O)NCc1ccc(NCC(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000116876270 1412947009 /nfs/dbraw/zinc/94/70/09/1412947009.db2.gz OKELFSBWTLUDGU-UHFFFAOYSA-N 0 0 380.448 3.438 20 30 GGEDRN C=CCN(CC=C)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000116936744 1412958708 /nfs/dbraw/zinc/95/87/08/1412958708.db2.gz HRXVCVZJNKIMLN-OAHLLOKOSA-N 0 0 378.419 3.341 20 30 GGEDRN C=CCN(CC=C)C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000116936746 1412958981 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COCC[S@@](=O)Cc1cccc(NC(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC000117018587 1412980782 /nfs/dbraw/zinc/98/07/82/1412980782.db2.gz UBRDRLYLPVHQTQ-MHZLTWQESA-N 0 0 385.489 3.117 20 30 GGEDRN C=CCN(CC=C)C(=O)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000117061192 1412988850 /nfs/dbraw/zinc/98/88/50/1412988850.db2.gz CYOUVRMDEWGUIB-MHZLTWQESA-N 0 0 388.533 3.407 20 30 GGEDRN C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000117076279 1412993905 /nfs/dbraw/zinc/99/39/05/1412993905.db2.gz QKRBABZPMRQDDG-NSHDSACASA-N 0 0 375.812 3.205 20 30 GGEDRN C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)c(Cl)c1 ZINC000117074322 1412993981 /nfs/dbraw/zinc/99/39/81/1412993981.db2.gz FKOQLNSVCONOJW-UONOGXRCSA-N 0 0 391.899 3.374 20 30 GGEDRN C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000117076231 1412994001 /nfs/dbraw/zinc/99/40/01/1412994001.db2.gz QUQNSVTWAKIMHH-CYBMUJFWSA-N 0 0 375.444 3.364 20 30 GGEDRN C=CC[C@@H](C)NC(=O)C(=O)Nc1cc(COc2cccc(F)c2)ccc1OC ZINC000117079614 1412994748 /nfs/dbraw/zinc/99/47/48/1412994748.db2.gz QUKSRRPWAKKDPZ-CQSZACIVSA-N 0 0 386.423 3.433 20 30 GGEDRN C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000117079280 1412994940 /nfs/dbraw/zinc/99/49/40/1412994940.db2.gz WDUZFPZZRUPNPN-OQRWROFFSA-N 0 0 384.501 3.155 20 30 GGEDRN C=CC[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)ccc1C ZINC000117077315 1412994982 /nfs/dbraw/zinc/99/49/82/1412994982.db2.gz NHBAFTSYRVYORB-UXLLHSPISA-N 0 0 385.508 3.132 20 30 GGEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCS2(=O)=O)c1 ZINC000117082840 1412996455 /nfs/dbraw/zinc/99/64/55/1412996455.db2.gz DVVDBRLVRSWLTD-UHFFFAOYSA-N 0 0 376.821 3.180 20 30 GGEDRN N#Cc1c2c(sc1NC(=O)CCSc1n[nH]c(-c3ccccn3)n1)CCC2 ZINC000117112319 1413000470 /nfs/dbraw/zinc/00/04/70/1413000470.db2.gz NZQBRCUXVKOLJN-UHFFFAOYSA-N 0 0 396.501 3.409 20 30 GGEDRN CCOc1cc(C#N)ccc1OCCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117108798 1413000586 /nfs/dbraw/zinc/00/05/86/1413000586.db2.gz XVKATYRYVCFYCK-UHFFFAOYSA-N 0 0 383.360 3.242 20 30 GGEDRN CCO[C@H](C)c1nc(CC(=O)N2CCN(c3ccccc3C#N)CC2)cs1 ZINC000117138979 1413005583 /nfs/dbraw/zinc/00/55/83/1413005583.db2.gz YUNDCGXOLBDNBC-OAHLLOKOSA-N 0 0 384.505 3.004 20 30 GGEDRN CCO[C@H](C)c1nc(CC(=O)Nc2ccnn2-c2ccc(C#N)cc2)cs1 ZINC000117147145 1413006237 /nfs/dbraw/zinc/00/62/37/1413006237.db2.gz MELQQDAVUNHVMK-CYBMUJFWSA-N 0 0 381.461 3.479 20 30 GGEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCc3ccccc3C2)cc1 ZINC000117164903 1413007948 /nfs/dbraw/zinc/00/79/48/1413007948.db2.gz SPNHKFVFRGMPDE-KRWDZBQOSA-N 0 0 396.512 3.299 20 30 GGEDRN CCO[C@@H](C)c1nc(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cs1 ZINC000117233814 1413016926 /nfs/dbraw/zinc/01/69/26/1413016926.db2.gz ZPACEFPGHCDWPO-LPHOPBHVSA-N 0 0 398.532 3.192 20 30 GGEDRN CCO[C@H](C)c1nc(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cs1 ZINC000117233815 1413017278 /nfs/dbraw/zinc/01/72/78/1413017278.db2.gz ZPACEFPGHCDWPO-APWZRJJASA-N 0 0 398.532 3.192 20 30 GGEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CNC(=O)c1ccccc1 ZINC000117237402 1413018098 /nfs/dbraw/zinc/01/80/98/1413018098.db2.gz GSNKMIXJDOMXNP-UHFFFAOYSA-N 0 0 386.411 3.423 20 30 GGEDRN N#CC1(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CCCCC1 ZINC000117284667 1413023022 /nfs/dbraw/zinc/02/30/22/1413023022.db2.gz MWALGXBGMLWRCN-HNNXBMFYSA-N 0 0 393.409 3.397 20 30 GGEDRN CCN(C[C@@H](C)C#N)Cn1nc(Cc2ccc(OC)c(OC)c2)oc1=S ZINC000117319643 1413024823 /nfs/dbraw/zinc/02/48/23/1413024823.db2.gz OSXIIUDAZZUVTQ-ZDUSSCGKSA-N 0 0 376.482 3.253 20 30 GGEDRN Cc1cc2c(c(F)c1)N(CN1CCC(C(F)(F)F)(C(F)(F)F)C1)C(=O)C2=O ZINC000117326058 1413025961 /nfs/dbraw/zinc/02/59/61/1413025961.db2.gz XFARZAPLDKUNTH-UHFFFAOYSA-N 0 0 398.278 3.438 20 30 GGEDRN Cc1nc(-c2ccc(S(=O)(=O)NCc3cccc(OCC#N)c3)cc2)co1 ZINC000117365422 1413031562 /nfs/dbraw/zinc/03/15/62/1413031562.db2.gz SMSXKLLXHUCWBW-UHFFFAOYSA-N 0 0 383.429 3.031 20 30 GGEDRN CCOC(=O)c1cnn(-c2ccc(C(=O)NC3(C#N)CCCCC3)cc2)c1C ZINC000117387688 1413033136 /nfs/dbraw/zinc/03/31/36/1413033136.db2.gz HICCHMGQWAUEHC-UHFFFAOYSA-N 0 0 380.448 3.314 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CC)CC2)cc1 ZINC000117518771 1413046542 /nfs/dbraw/zinc/04/65/42/1413046542.db2.gz FHSGFGAGVXNWKU-SFHVURJKSA-N 0 0 397.519 3.478 20 30 GGEDRN O=C(Nc1ccc(F)c(F)c1)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117527075 1413049210 /nfs/dbraw/zinc/04/92/10/1413049210.db2.gz UPUKUIAHUWLZBX-UHFFFAOYSA-N 0 0 390.230 3.247 20 30 GGEDRN C=CCn1c(SCC(=O)NCc2cccnc2)nnc1-c1ccc(F)cc1 ZINC000117548380 1413051783 /nfs/dbraw/zinc/05/17/83/1413051783.db2.gz CJXZTZKELHFCMV-UHFFFAOYSA-N 0 0 383.452 3.074 20 30 GGEDRN COc1ccc(CCCNC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)cc1 ZINC000117637820 1413058881 /nfs/dbraw/zinc/05/88/81/1413058881.db2.gz PUUMKUCTKQIVTP-XYOKQWHBSA-N 0 0 380.444 3.368 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117640879 1413059879 /nfs/dbraw/zinc/05/98/79/1413059879.db2.gz UVZSXBUNGAKQJV-UHFFFAOYSA-N 0 0 384.823 3.011 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)CCc3ccc(-c4ccccc4)o3)CC2)nc1 ZINC000117700442 1413066613 /nfs/dbraw/zinc/06/66/13/1413066613.db2.gz HTVHQUJCZBHEOI-UHFFFAOYSA-N 0 0 386.455 3.495 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)nc1 ZINC000117700852 1413066764 /nfs/dbraw/zinc/06/67/64/1413066764.db2.gz JEYRINIREPHYFC-UHFFFAOYSA-N 0 0 393.450 3.454 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)COc1cccc(F)c1 ZINC000117703811 1413066985 /nfs/dbraw/zinc/06/69/85/1413066985.db2.gz GZDHYTHIMBVLGY-OAHLLOKOSA-N 0 0 386.423 3.449 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)COc1cccc(F)c1 ZINC000117703809 1413067288 /nfs/dbraw/zinc/06/72/88/1413067288.db2.gz GZDHYTHIMBVLGY-HNNXBMFYSA-N 0 0 386.423 3.449 20 30 GGEDRN N#CCCn1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)n1 ZINC000117714416 1413070270 /nfs/dbraw/zinc/07/02/70/1413070270.db2.gz PMACVDXJZNARFF-UHFFFAOYSA-N 0 0 388.840 3.231 20 30 GGEDRN Cc1nnc(SCC(=O)Nc2ccn(CCC#N)n2)n1-c1cc(C)ccc1C ZINC000117714373 1413070297 /nfs/dbraw/zinc/07/02/97/1413070297.db2.gz HMNWATPEIDXVKP-UHFFFAOYSA-N 0 0 395.492 3.034 20 30 GGEDRN N#CCCn1ccc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 ZINC000117711866 1413070402 /nfs/dbraw/zinc/07/04/02/1413070402.db2.gz PQBAKQKYDPJRDO-UHFFFAOYSA-N 0 0 377.379 3.440 20 30 GGEDRN Cc1cc(C(=O)Nc2ccn(CCC#N)n2)c2cnn(Cc3cccs3)c2n1 ZINC000117710763 1413070422 /nfs/dbraw/zinc/07/04/22/1413070422.db2.gz YLISUSURAZSIOU-UHFFFAOYSA-N 0 0 391.460 3.212 20 30 GGEDRN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccn(CCC#N)n1 ZINC000117710875 1413070431 /nfs/dbraw/zinc/07/04/31/1413070431.db2.gz DGBVJTVKCFGFKV-UHFFFAOYSA-N 0 0 386.818 3.395 20 30 GGEDRN N#CCCn1ccc(NC(=O)COc2ccccc2OCc2ccccc2)n1 ZINC000117711552 1413070508 /nfs/dbraw/zinc/07/05/08/1413070508.db2.gz RPXPVEYBRYYOBY-UHFFFAOYSA-N 0 0 376.416 3.393 20 30 GGEDRN N#CCCn1ccc(NC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)n1 ZINC000117715991 1413071003 /nfs/dbraw/zinc/07/10/03/1413071003.db2.gz DENRDPJZRSVHSG-UHFFFAOYSA-N 0 0 376.376 3.164 20 30 GGEDRN N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117747442 1413074804 /nfs/dbraw/zinc/07/48/04/1413074804.db2.gz PTRDKTCCQUMIKO-IBGZPJMESA-N 0 0 398.850 3.200 20 30 GGEDRN N#Cc1ccc(CN2CCCN(C(=O)c3cccc(-n4ccnc4)c3)CC2)cc1 ZINC000117748078 1413075271 /nfs/dbraw/zinc/07/52/71/1413075271.db2.gz YPDQXNNJQNXZSY-UHFFFAOYSA-N 0 0 385.471 3.092 20 30 GGEDRN N#Cc1ccccc1N1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117756384 1413076042 /nfs/dbraw/zinc/07/60/42/1413076042.db2.gz QCRTZPDHSZTJIC-UHFFFAOYSA-N 0 0 398.850 3.401 20 30 GGEDRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccn(CCC#N)n1 ZINC000117855241 1413083473 /nfs/dbraw/zinc/08/34/73/1413083473.db2.gz JCZFWGJBBFOEHC-MRXNPFEDSA-N 0 0 387.871 3.233 20 30 GGEDRN COC(=O)[C@H](c1ccccc1)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000117876050 1413085884 /nfs/dbraw/zinc/08/58/84/1413085884.db2.gz ZUNIQTGNAYVSMJ-QFIPXVFZSA-N 0 0 386.455 3.143 20 30 GGEDRN CC(C)(C)OC(=O)Nc1ccc(F)c(NCC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000117869748 1413086185 /nfs/dbraw/zinc/08/61/85/1413086185.db2.gz LYZGEIWOANOJRX-IBGZPJMESA-N 0 0 376.432 3.393 20 30 GGEDRN N#Cc1ccccc1OC1CCC(NC(=O)Nc2nnc3ccccn32)CC1 ZINC000118024687 1413097802 /nfs/dbraw/zinc/09/78/02/1413097802.db2.gz WLIILUQYWATDNY-UHFFFAOYSA-N 0 0 376.420 3.113 20 30 GGEDRN CCO[C@H](CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1CCCC1 ZINC000177346482 1428701118 /nfs/dbraw/zinc/70/11/18/1428701118.db2.gz NCASTFWTINVJCA-LJQANCHMSA-N 0 0 381.480 3.041 20 30 GGEDRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(C#N)c1 ZINC000118058767 1413104862 /nfs/dbraw/zinc/10/48/62/1413104862.db2.gz AKYOGMDCLMCTQB-IBGZPJMESA-N 0 0 392.459 3.188 20 30 GGEDRN CS(=O)(=O)c1cccc(NCC(=O)N(CCC#N)c2cccc(Cl)c2)c1 ZINC000177349444 1428701568 /nfs/dbraw/zinc/70/15/68/1428701568.db2.gz FFQZORBNQUHMEI-UHFFFAOYSA-N 0 0 391.880 3.102 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCCCc1ccc(F)cc1 ZINC000118159745 1413117744 /nfs/dbraw/zinc/11/77/44/1413117744.db2.gz FBCUNOIRNFNMHN-UHFFFAOYSA-N 0 0 380.423 3.466 20 30 GGEDRN COc1cc(OC)cc([C@H](O)C/N=C/c2cc(Br)ccc2O)c1 ZINC000118169677 1413118233 /nfs/dbraw/zinc/11/82/33/1413118233.db2.gz CRMRATCXYLUIBQ-AHUIGUKZSA-N 0 0 380.238 3.324 20 30 GGEDRN C=CCn1c(S[C@H]2CCN(CC(F)(F)F)C2=O)nnc1-c1ccccc1 ZINC000118170663 1413118439 /nfs/dbraw/zinc/11/84/39/1413118439.db2.gz GCDDEXVXVFQKDL-ZDUSSCGKSA-N 0 0 382.411 3.386 20 30 GGEDRN C=CCn1c(SCCS(=O)(=O)CC)nc2sc3c(c2c1=O)CCCC3 ZINC000118172050 1413118447 /nfs/dbraw/zinc/11/84/47/1413118447.db2.gz CPMJWULSBNENPT-UHFFFAOYSA-N 0 0 398.575 3.050 20 30 GGEDRN Cc1ccc(F)c(N2CCC[C@@H](Sc3nc(N)c(C#N)cc3C#N)C2=O)c1 ZINC000118173594 1413118826 /nfs/dbraw/zinc/11/88/26/1413118826.db2.gz RDNFWNREKJHQLA-MRXNPFEDSA-N 0 0 381.436 3.142 20 30 GGEDRN C=CCn1c(Cc2ccccc2)nnc1S[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000118175679 1413118954 /nfs/dbraw/zinc/11/89/54/1413118954.db2.gz DAWDMZKLIHWFAS-CQSZACIVSA-N 0 0 396.438 3.310 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1 ZINC000118211748 1413124198 /nfs/dbraw/zinc/12/41/98/1413124198.db2.gz DRSMPVZCOZFXEK-QGZVFWFLSA-N 0 0 388.514 3.321 20 30 GGEDRN N#Cc1c(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)nc2n1CCS2 ZINC000118225126 1413127816 /nfs/dbraw/zinc/12/78/16/1413127816.db2.gz QFXOAFWFAFQJHG-UHFFFAOYSA-N 0 0 385.836 3.350 20 30 GGEDRN Cc1ccc(-n2nc(C(=O)Nc3nc4n(c3C#N)CCS4)c3c2CCC3)cc1 ZINC000118225788 1413128762 /nfs/dbraw/zinc/12/87/62/1413128762.db2.gz PAHGVPBAQGAPDG-UHFFFAOYSA-N 0 0 390.472 3.096 20 30 GGEDRN N#C[C@@H]1CN(C(=O)Cc2ccccc2OC(F)F)CCN1Cc1ccccc1 ZINC000118229127 1413128961 /nfs/dbraw/zinc/12/89/61/1413128961.db2.gz GQXZXADDDFVWNH-GOSISDBHSA-N 0 0 385.414 3.067 20 30 GGEDRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1nc2n(c1C#N)CCS2 ZINC000118225960 1413128971 /nfs/dbraw/zinc/12/89/71/1413128971.db2.gz BWQPBNVXFPZFMK-LLVKDONJSA-N 0 0 381.465 3.137 20 30 GGEDRN CCN(CC)S(=O)(=O)c1cc(C(=O)N(CCC#N)CC(C)(C)C)ccc1F ZINC000118227143 1413129303 /nfs/dbraw/zinc/12/93/03/1413129303.db2.gz QJXKDBKUZCCKFV-UHFFFAOYSA-N 0 0 397.516 3.258 20 30 GGEDRN CC(C)(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)nn1 ZINC000118233355 1413130250 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N#C[C@H](NC(=O)CCNC(=O)N1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000118335014 1413152380 /nfs/dbraw/zinc/15/23/80/1413152380.db2.gz HLAKLYMTOPRLPR-IBGZPJMESA-N 0 0 396.878 3.179 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCOC1CCCCCC1 ZINC000118360028 1413154925 /nfs/dbraw/zinc/15/49/25/1413154925.db2.gz HSEIFMCKLBFRQF-UHFFFAOYSA-N 0 0 383.496 3.006 20 30 GGEDRN C=CCNC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1cccc([O-])c1Cl ZINC000118379893 1413157154 /nfs/dbraw/zinc/15/71/54/1413157154.db2.gz DWTSQGRTSNZDPT-UHFFFAOYSA-O 0 0 391.900 3.365 20 30 GGEDRN CCc1ccccc1NC(=O)CN1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118391139 1413158646 /nfs/dbraw/zinc/15/86/46/1413158646.db2.gz QQNNZWXOOQTWKU-GOSISDBHSA-N 0 0 376.504 3.438 20 30 GGEDRN COc1cccc(C(=O)N2CCN([C@H](C)c3ccc(C#N)cc3)CC2)c1OC ZINC000118395105 1413158684 /nfs/dbraw/zinc/15/86/84/1413158684.db2.gz USEUWYXWIBNLSF-MRXNPFEDSA-N 0 0 379.460 3.094 20 30 GGEDRN N#CCOc1ccc(CC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000118521534 1413171153 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20 30 GGEDRN C=CCSCCNC(=O)N[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000119233124 1413384108 /nfs/dbraw/zinc/38/41/08/1413384108.db2.gz QXDQQQUZESKLCW-CYBMUJFWSA-N 0 0 385.415 3.131 20 30 GGEDRN N#CCSc1cccc(C(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)c1 ZINC000119244413 1413387152 /nfs/dbraw/zinc/38/71/52/1413387152.db2.gz UBJKVNNEPBLEJY-KRWDZBQOSA-N 0 0 392.546 3.264 20 30 GGEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cccc(C(=O)OC)c1 ZINC000119256271 1413390920 /nfs/dbraw/zinc/39/09/20/1413390920.db2.gz RYOASITWIPFIGS-UHFFFAOYSA-N 0 0 392.864 3.341 20 30 GGEDRN CC[C@@H](NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N)C(C)(C)c1ccccc1 ZINC000119259876 1413391896 /nfs/dbraw/zinc/39/18/96/1413391896.db2.gz TWFKZBHGGATDBH-QGZVFWFLSA-N 0 0 381.480 3.147 20 30 GGEDRN CN1c2ccccc2N(C)C1=C1C(=N)N(C[C@@H](O)c2ccc(Cl)cc2)CC1=O ZINC000119266139 1413394391 /nfs/dbraw/zinc/39/43/91/1413394391.db2.gz QTJGXJAQERWLPJ-QGZVFWFLSA-N 0 0 396.878 3.033 20 30 GGEDRN CC[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C(C)(C)c1ccccc1 ZINC000119276133 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1413629430 /nfs/dbraw/zinc/62/94/30/1413629430.db2.gz PBDVZCRMWRKLQI-NRFANRHFSA-N 0 0 395.462 3.469 20 30 GGEDRN CCC[C@H]1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 ZINC000119954469 1413631062 /nfs/dbraw/zinc/63/10/62/1413631062.db2.gz IFKGHWSUEVMHEX-INIZCTEOSA-N 0 0 398.463 3.050 20 30 GGEDRN N#Cc1c(F)cccc1S(=O)(=O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000119959173 1413632257 /nfs/dbraw/zinc/63/22/57/1413632257.db2.gz SCSUITQUKJWZGK-UHFFFAOYSA-N 0 0 388.464 3.193 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2cnn([C@@H](C)CC)c2C2CC2)c1 ZINC000119958828 1413632319 /nfs/dbraw/zinc/63/23/19/1413632319.db2.gz DLZKYDSDOVCARI-HNNXBMFYSA-N 0 0 378.476 3.424 20 30 GGEDRN Cc1ccc(NCCCNC(=O)CSc2nc(C)c(C)c(C)c2C#N)nc1 ZINC000119966966 1413635158 /nfs/dbraw/zinc/63/51/58/1413635158.db2.gz UOURDPUKVSWRBM-UHFFFAOYSA-N 0 0 383.521 3.292 20 30 GGEDRN C=CCN(C(=O)Nc1ccc(OC2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000119967007 1413635323 /nfs/dbraw/zinc/63/53/23/1413635323.db2.gz HKKBPNHALOARES-INIZCTEOSA-N 0 0 378.494 3.215 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000119974617 1413638715 /nfs/dbraw/zinc/63/87/15/1413638715.db2.gz IWAHLOVNVSZQGZ-UHFFFAOYSA-N 0 0 384.501 3.363 20 30 GGEDRN COc1ccccc1[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1noc(C)n1 ZINC000119978599 1413639614 /nfs/dbraw/zinc/63/96/14/1413639614.db2.gz MUZDMJNYSOEBIN-SFHVURJKSA-N 0 0 377.404 3.364 20 30 GGEDRN COc1cccc(CC(=O)N2CCc3ccc(NC(=O)C4(C#N)CCC4)cc32)c1 ZINC000119978699 1413639694 /nfs/dbraw/zinc/63/96/94/1413639694.db2.gz OAHGWACQZQZEJW-UHFFFAOYSA-N 0 0 389.455 3.459 20 30 GGEDRN N#CCOc1cccc(CC(=O)NCCOc2ccc(Br)cc2)c1 ZINC000119978632 1413639703 /nfs/dbraw/zinc/63/97/03/1413639703.db2.gz IWFGWBGKEAAQSJ-UHFFFAOYSA-N 0 0 389.249 3.089 20 30 GGEDRN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)N(C)[C@H](C)CC#N)c1 ZINC000119980642 1413640141 /nfs/dbraw/zinc/64/01/41/1413640141.db2.gz PBWPRVCIAVRTHY-CQSZACIVSA-N 0 0 380.514 3.100 20 30 GGEDRN CCCOc1ccc2c(c1)CCN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)C2 ZINC000120013701 1413653691 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CCO[C@@H](C)c1nc(CON=C(N)c2ccc(N3CCCCC3)nc2)cs1 ZINC000120037166 1413663365 /nfs/dbraw/zinc/66/33/65/1413663365.db2.gz DKPJHOXDRWJDJV-AWEZNQCLSA-N 0 0 389.525 3.463 20 30 GGEDRN CC(C)Oc1cccc([C@H](O)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000120041495 1413664539 /nfs/dbraw/zinc/66/45/39/1413664539.db2.gz KRURDPWPWSQUAV-GOSISDBHSA-N 0 0 394.880 3.011 20 30 GGEDRN C[C@H](Sc1nncn1C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 ZINC000120041451 1413664606 /nfs/dbraw/zinc/66/46/06/1413664606.db2.gz IVMJTSJQTBDXBK-WCBMZHEXSA-N 0 0 377.882 3.435 20 30 GGEDRN C[C@@H](Sc1nncn1C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 ZINC000120041555 1413664717 /nfs/dbraw/zinc/66/47/17/1413664717.db2.gz IVMJTSJQTBDXBK-PSASIEDQSA-N 0 0 377.882 3.435 20 30 GGEDRN N#CCOc1cccc(CC(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c1 ZINC000120044488 1413665974 /nfs/dbraw/zinc/66/59/74/1413665974.db2.gz VIZHHAQVNMTIQS-UHFFFAOYSA-N 0 0 383.411 3.480 20 30 GGEDRN CC(C)Cn1nc(C(=O)Nc2ccc(F)cc2OCC#N)c2ccccc2c1=O ZINC000120064196 1413673013 /nfs/dbraw/zinc/67/30/13/1413673013.db2.gz YCZRQCOJETUNEK-UHFFFAOYSA-N 0 0 394.406 3.346 20 30 GGEDRN Cc1cccc(C)c1CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000120065558 1413673479 /nfs/dbraw/zinc/67/34/79/1413673479.db2.gz LFDPIAAFOVJFOJ-UHFFFAOYSA-N 0 0 377.492 3.081 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000120067918 1413674597 /nfs/dbraw/zinc/67/45/97/1413674597.db2.gz OUDMBQVIWMRFNM-AWEZNQCLSA-N 0 0 389.235 3.016 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)Nc2ccc(OCC(F)(F)F)cc2)c1C#N ZINC000120068777 1413674751 /nfs/dbraw/zinc/67/47/51/1413674751.db2.gz AIANMKAWPPMXBI-UHFFFAOYSA-N 0 0 377.322 3.385 20 30 GGEDRN COc1cc([C@@H](C#N)NC(=O)c2cc(Cl)c(Cl)n2C)cc(OC)c1OC ZINC000120075816 1413677077 /nfs/dbraw/zinc/67/70/77/1413677077.db2.gz LJXVQBOWLCCNDQ-LLVKDONJSA-N 0 0 398.246 3.352 20 30 GGEDRN C=CCc1cc(CNC(=O)c2cccc(-c3nc[nH]n3)c2)cc(OC)c1OC ZINC000120075278 1413677089 /nfs/dbraw/zinc/67/70/89/1413677089.db2.gz VQQXJKHKZPIMDO-UHFFFAOYSA-N 0 0 378.432 3.147 20 30 GGEDRN CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2ccc(F)cc2F)cc1 ZINC000120076665 1413677770 /nfs/dbraw/zinc/67/77/70/1413677770.db2.gz RAHGMQUIPPWHDF-MRXNPFEDSA-N 0 0 386.354 3.032 20 30 GGEDRN Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000120078896 1413679047 /nfs/dbraw/zinc/67/90/47/1413679047.db2.gz DJIPCWLPHBAPJP-UXHICEINSA-N 0 0 395.434 3.451 20 30 GGEDRN Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)C(=O)Nc2ccc(F)cc2C#N)c1 ZINC000120082665 1413680879 /nfs/dbraw/zinc/68/08/79/1413680879.db2.gz ZVQCBCQVBQPVKP-UXHICEINSA-N 0 0 395.434 3.451 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2ccncc2)c1 ZINC000120087694 1413682600 /nfs/dbraw/zinc/68/26/00/1413682600.db2.gz KZMZQZNACPAKOC-IBGZPJMESA-N 0 0 378.432 3.066 20 30 GGEDRN COc1cc([C@@H](C#N)NC(=O)c2ccc(F)cc2Cl)cc(OC)c1OC ZINC000120087896 1413682654 /nfs/dbraw/zinc/68/26/54/1413682654.db2.gz IDBMTWLOZZENAP-CQSZACIVSA-N 0 0 378.787 3.500 20 30 GGEDRN CCCn1c2ccccc2n(CCC(=O)Nc2ccc(F)cc2OCC#N)c1=O ZINC000120087334 1413682693 /nfs/dbraw/zinc/68/26/93/1413682693.db2.gz GASLPRZCCFPXTI-UHFFFAOYSA-N 0 0 396.422 3.283 20 30 GGEDRN COc1cc([C@@H](C#N)NC(=O)c2cc3ccc(C)cc3[nH]2)cc(OC)c1OC ZINC000120091240 1413683812 /nfs/dbraw/zinc/68/38/12/1413683812.db2.gz MEYNOJRRFNSZSB-QGZVFWFLSA-N 0 0 379.416 3.497 20 30 GGEDRN C=CCNC(=O)c1ccccc1NC(=O)CSCc1cn2cc(C)ccc2n1 ZINC000120092424 1413684428 /nfs/dbraw/zinc/68/44/28/1413684428.db2.gz SUDCROVMKWSRTQ-UHFFFAOYSA-N 0 0 394.500 3.430 20 30 GGEDRN Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)C(=O)Nc2cccc(C#N)c2)c1 ZINC000120095600 1413685554 /nfs/dbraw/zinc/68/55/54/1413685554.db2.gz AAHNKFRFPGMZFU-UXHICEINSA-N 0 0 377.444 3.312 20 30 GGEDRN Cn1cnnc1[C@H]1CCCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000120106523 1413690241 /nfs/dbraw/zinc/69/02/41/1413690241.db2.gz BOFHMRWDIKIFIV-HXUWFJFHSA-N 0 0 387.443 3.243 20 30 GGEDRN C#Cc1cccc(N(C(C)C)S(=O)(=O)c2cccc(S(=O)(=O)CC)c2)c1 ZINC000120120894 1413695779 /nfs/dbraw/zinc/69/57/79/1413695779.db2.gz ACPCOWWFHNMRDE-UHFFFAOYSA-N 0 0 391.514 3.065 20 30 GGEDRN CC(C)Oc1ccc([C@H](O)CNS(=O)(=O)c2ccc(Cl)cc2C#N)cc1 ZINC000120120459 1413695806 /nfs/dbraw/zinc/69/58/06/1413695806.db2.gz UTSNMJNBSNBCHF-QGZVFWFLSA-N 0 0 394.880 3.011 20 30 GGEDRN CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)CCc1ccc(C#N)cc1 ZINC000120151380 1413708388 /nfs/dbraw/zinc/70/83/88/1413708388.db2.gz JQEYFYIEEIOJRW-UHFFFAOYSA-N 0 0 388.370 3.480 20 30 GGEDRN CC(C)(C)c1noc(CON=C(N)C(C)(C)NC(=O)c2cccc(Cl)c2)n1 ZINC000120152805 1413708929 /nfs/dbraw/zinc/70/89/29/1413708929.db2.gz IJSXYNXCXSCYEV-UHFFFAOYSA-N 0 0 393.875 3.018 20 30 GGEDRN CC(C)(NC(=O)c1cccc(Cl)c1)C(N)=NOCc1ccc([N+](=O)[O-])cc1 ZINC000120152956 1413709409 /nfs/dbraw/zinc/70/94/09/1413709409.db2.gz BKYDVPXADZZYTQ-UHFFFAOYSA-N 0 0 390.827 3.246 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)NCc2nncn2-c2ccccc2)cc1OC ZINC000120170185 1413716024 /nfs/dbraw/zinc/71/60/24/1413716024.db2.gz RRBWFGPIZGBARW-ZRDIBKRKSA-N 0 0 390.443 3.170 20 30 GGEDRN COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000120173717 1413717757 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C=CCn1c(=O)c2ccsc2nc1SCc1noc(C2CCOCC2)n1 ZINC000121542062 1414169246 /nfs/dbraw/zinc/16/92/46/1414169246.db2.gz BMIKBOUSEAVQTH-UHFFFAOYSA-N 0 0 390.490 3.213 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)NCCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000121549204 1414172801 /nfs/dbraw/zinc/17/28/01/1414172801.db2.gz CZFFRVZHMREPAL-UHFFFAOYSA-N 0 0 392.452 3.376 20 30 GGEDRN CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)s1 ZINC000121549256 1414172967 /nfs/dbraw/zinc/17/29/67/1414172967.db2.gz NRXOTDYBIIUKJX-LLVKDONJSA-N 0 0 394.478 3.176 20 30 GGEDRN CS(=O)(=O)CCc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000121557472 1414176684 /nfs/dbraw/zinc/17/66/84/1414176684.db2.gz DJLHFESXOFJMLY-IBGZPJMESA-N 0 0 385.489 3.440 20 30 GGEDRN C=CCN(C)C(=O)C(=O)Nc1cc(-c2nc3cc(F)ccc3n2C)ccc1C ZINC000121557850 1414176896 /nfs/dbraw/zinc/17/68/96/1414176896.db2.gz BMDYEKDRNDAHEX-UHFFFAOYSA-N 0 0 380.423 3.271 20 30 GGEDRN CCN(CCC#N)C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C ZINC000121564412 1414179015 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GGEDRN Cc1ccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1[N+](=O)[O-] ZINC000121585436 1414188035 /nfs/dbraw/zinc/18/80/35/1414188035.db2.gz KHTTYIYZEMVRHK-UHFFFAOYSA-N 0 0 380.404 3.290 20 30 GGEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000121596778 1414193337 /nfs/dbraw/zinc/19/33/37/1414193337.db2.gz AYNLPJLBPURGFB-UONOGXRCSA-N 0 0 391.397 3.077 20 30 GGEDRN Cc1cc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)ccc1[N+](=O)[O-] ZINC000121595800 1414193348 /nfs/dbraw/zinc/19/33/48/1414193348.db2.gz VJGCIUOPXCPVDL-UHFFFAOYSA-N 0 0 380.404 3.290 20 30 GGEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000121597576 1414193761 /nfs/dbraw/zinc/19/37/61/1414193761.db2.gz DSOXYJRMAILJSS-STQMWFEESA-N 0 0 391.397 3.077 20 30 GGEDRN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C[C@@H](O)c1ccc(C#N)cc1 ZINC000121602576 1414195361 /nfs/dbraw/zinc/19/53/61/1414195361.db2.gz SWQBRGAIIFNYJI-QGZVFWFLSA-N 0 0 391.393 3.360 20 30 GGEDRN Cc1ccccc1Cc1noc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)n1 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383.395 3.439 20 30 GGEDRN C[C@H](NS(=O)(=O)c1cccc(C(=O)O[C@H](C#N)C2CC2)c1)c1ccccc1 ZINC000121629273 1414206105 /nfs/dbraw/zinc/20/61/05/1414206105.db2.gz FFTDRYSYMCJCRQ-IFXJQAMLSA-N 0 0 384.457 3.185 20 30 GGEDRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O[C@@H](C#N)C2CC2)c1 ZINC000121632602 1414207256 /nfs/dbraw/zinc/20/72/56/1414207256.db2.gz GFXAQZJRHDOAFE-IBGZPJMESA-N 0 0 384.457 3.361 20 30 GGEDRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O[C@H](C#N)C2CC2)c1 ZINC000121632790 1414207392 /nfs/dbraw/zinc/20/73/92/1414207392.db2.gz GFXAQZJRHDOAFE-LJQANCHMSA-N 0 0 384.457 3.361 20 30 GGEDRN CC(C)n1ncc(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1C1CC1 ZINC000121642383 1414210005 /nfs/dbraw/zinc/21/00/05/1414210005.db2.gz OZJYGUBTKRSCPV-UHFFFAOYSA-N 0 0 375.436 3.105 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(NC(C)=O)cc1Cl ZINC000121647867 1414211519 /nfs/dbraw/zinc/21/15/19/1414211519.db2.gz YRAJHMGXDQUQBG-UHFFFAOYSA-N 0 0 385.851 3.452 20 30 GGEDRN CCCCC[C@@H](C)NC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 ZINC000121669428 1414217765 /nfs/dbraw/zinc/21/77/65/1414217765.db2.gz VRLOAIHTCRNHMA-CQSZACIVSA-N 0 0 381.480 3.384 20 30 GGEDRN CCCCC[C@H](C)NC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 ZINC000121669586 1414218149 /nfs/dbraw/zinc/21/81/49/1414218149.db2.gz VRLOAIHTCRNHMA-AWEZNQCLSA-N 0 0 381.480 3.384 20 30 GGEDRN CCS[C@@H](C)c1noc(CN(C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)n1 ZINC000121686901 1414223763 /nfs/dbraw/zinc/22/37/63/1414223763.db2.gz PPLLQUQITLLXPN-AAEUAGOBSA-N 0 0 391.497 3.424 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)c3cc(F)c(F)c(F)c3)CC2)nc1 ZINC000121696179 1414226960 /nfs/dbraw/zinc/22/69/60/1414226960.db2.gz VFCWUEQTKOGKNO-UHFFFAOYSA-N 0 0 375.350 3.491 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000121697052 1414227563 /nfs/dbraw/zinc/22/75/63/1414227563.db2.gz NJNPMCDGCMGMNY-UHFFFAOYSA-N 0 0 380.835 3.461 20 30 GGEDRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2C#N)cc1 ZINC000177561825 1428794773 /nfs/dbraw/zinc/79/47/73/1428794773.db2.gz PUNWSSGXUJRVLH-UHFFFAOYSA-N 0 0 375.425 3.026 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)c3ccc(C(F)(F)F)nc3)CC2)nc1 ZINC000121700982 1414228706 /nfs/dbraw/zinc/22/87/06/1414228706.db2.gz DHVROTGUVMQPNK-UHFFFAOYSA-N 0 0 390.365 3.487 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C ZINC000121707823 1414230718 /nfs/dbraw/zinc/23/07/18/1414230718.db2.gz MFMHTNUBDFUQKJ-BIENJYKASA-N 0 0 393.491 3.240 20 30 GGEDRN C[C@@H]1CCC[C@@H](N(C)C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000121706920 1414230786 /nfs/dbraw/zinc/23/07/86/1414230786.db2.gz ZFUMULZVFMANRQ-DYESRHJHSA-N 0 0 375.472 3.457 20 30 GGEDRN C[C@H]1CCC[C@H](N(C)C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000121706828 1414230847 /nfs/dbraw/zinc/23/08/47/1414230847.db2.gz ZFUMULZVFMANRQ-UWJYYQICSA-N 0 0 375.472 3.457 20 30 GGEDRN CC1CCN(c2cccc(NC(=O)C(=O)NCc3cccc(C#N)c3)c2)CC1 ZINC000121708396 1414230858 /nfs/dbraw/zinc/23/08/58/1414230858.db2.gz FHSYVHYRVLUEJN-UHFFFAOYSA-N 0 0 376.460 3.049 20 30 GGEDRN 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C=CCc1cc(CN2CCN(Cc3cn4ccccc4n3)CC2)cc(OC)c1O ZINC000121890916 1414293340 /nfs/dbraw/zinc/29/33/40/1414293340.db2.gz FXDLZBXSOYQATG-UHFFFAOYSA-N 0 0 392.503 3.095 20 30 GGEDRN COc1cc(/C=C/C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)ccc1OCC#N ZINC000121892469 1414293765 /nfs/dbraw/zinc/29/37/65/1414293765.db2.gz UUMVNTXNNMPFMC-UXGLSIKRSA-N 0 0 382.460 3.075 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cccnc2)c1 ZINC000177565088 1428796068 /nfs/dbraw/zinc/79/60/68/1428796068.db2.gz GIHLGYZGTSKVNN-OAQYLSRUSA-N 0 0 387.439 3.491 20 30 GGEDRN Cc1ccc2[nH]c(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc2c1C ZINC000121893533 1414295033 /nfs/dbraw/zinc/29/50/33/1414295033.db2.gz LYAUYSRQFQXHRC-HNNXBMFYSA-N 0 0 382.464 3.370 20 30 GGEDRN Cc1cccc2c(CCC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c[nH]c21 ZINC000121893180 1414295176 /nfs/dbraw/zinc/29/51/76/1414295176.db2.gz SALASAVSOXGZBO-KRWDZBQOSA-N 0 0 396.491 3.380 20 30 GGEDRN C[C@@H](NC(=O)C(C)(C)C)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 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C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N([C@@H](C)C2CC2)C2CC2)cc1 ZINC000121964125 1414325428 /nfs/dbraw/zinc/32/54/28/1414325428.db2.gz UNQJZQAHCPTBJI-AWEZNQCLSA-N 0 0 377.510 3.288 20 30 GGEDRN C=CCn1c(S[C@@H](C)c2nc(-c3nc[nH]n3)no2)nnc1-c1cccc(C)c1 ZINC000121970736 1414327680 /nfs/dbraw/zinc/32/76/80/1414327680.db2.gz BVHJZNLMADQRAH-LBPRGKRZSA-N 0 0 394.464 3.461 20 30 GGEDRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000121981504 1414330274 /nfs/dbraw/zinc/33/02/74/1414330274.db2.gz UYFNSGQNLBDRAM-AWEZNQCLSA-N 0 0 394.851 3.484 20 30 GGEDRN CC1CCC(N2C[C@H](C(=O)Nc3nc4c(cc3C#N)CCCC4)CC2=O)CC1 ZINC000121986968 1414332229 /nfs/dbraw/zinc/33/22/29/1414332229.db2.gz AYISHVPQELONEW-ZCDVPAHGSA-N 0 0 380.492 3.198 20 30 GGEDRN CCCN(C(=O)Cc1cccc(OCC#N)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000121997755 1414335512 /nfs/dbraw/zinc/33/55/12/1414335512.db2.gz CXSRASAXOCAFDN-QGZVFWFLSA-N 0 0 379.460 3.397 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)N(C)CC2CCOCC2)nnc1-c1ccco1 ZINC000122034185 1414344744 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GGEDRN C=CCC(CC=C)C(=O)N(CC)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000122059607 1414352255 /nfs/dbraw/zinc/35/22/55/1414352255.db2.gz LSBFGFFZKQEKDO-UHFFFAOYSA-N 0 0 385.508 3.079 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000177576714 1428801082 /nfs/dbraw/zinc/80/10/82/1428801082.db2.gz VFHJAXNKBAYNLZ-KRWDZBQOSA-N 0 0 398.463 3.354 20 30 GGEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000122062624 1414352722 /nfs/dbraw/zinc/35/27/22/1414352722.db2.gz HTOBLQRGGXWTEL-FQEVSTJZSA-N 0 0 386.492 3.388 20 30 GGEDRN Cc1c(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cccc1[N+](=O)[O-] ZINC000122067020 1414354531 /nfs/dbraw/zinc/35/45/31/1414354531.db2.gz JYOUUJZSPNMNFX-QGZVFWFLSA-N 0 0 396.422 3.242 20 30 GGEDRN COc1ccc2cc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)c(C)nc2c1 ZINC000122072980 1414355600 /nfs/dbraw/zinc/35/56/00/1414355600.db2.gz PIUFURBMJPDXJM-QGZVFWFLSA-N 0 0 375.432 3.360 20 30 GGEDRN COc1ccc(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1O ZINC000122080020 1414357711 /nfs/dbraw/zinc/35/77/11/1414357711.db2.gz KPTVCOSRXLKIQB-UHFFFAOYSA-N 0 0 378.350 3.271 20 30 GGEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000122086284 1414359633 /nfs/dbraw/zinc/35/96/33/1414359633.db2.gz WRAICUNPQJMUOO-HNNXBMFYSA-N 0 0 396.409 3.497 20 30 GGEDRN N#C[C@@H](COC(=O)c1cc(N2CCNC2=O)ccc1F)Cc1ccc(F)cc1 ZINC000122089648 1414360078 /nfs/dbraw/zinc/36/00/78/1414360078.db2.gz RSGARQCBBGLMHF-AWEZNQCLSA-N 0 0 385.370 3.034 20 30 GGEDRN N#C[C@@H](COC(=O)CCN1C(=O)CCc2ccccc21)Cc1ccc(F)cc1 ZINC000122088551 1414360294 /nfs/dbraw/zinc/36/02/94/1414360294.db2.gz RCRQVIADHJCSRC-KRWDZBQOSA-N 0 0 380.419 3.421 20 30 GGEDRN CN(CCC#N)c1ccc(CNc2ccc(N3CCNC(=O)C3)c(Cl)c2)cc1 ZINC000122093987 1414361623 /nfs/dbraw/zinc/36/16/23/1414361623.db2.gz YAFCEOJPBAHWIW-UHFFFAOYSA-N 0 0 397.910 3.238 20 30 GGEDRN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000122106285 1414364017 /nfs/dbraw/zinc/36/40/17/1414364017.db2.gz FNGMQDHUWPUFPH-WBVHZDCISA-N 0 0 389.448 3.161 20 30 GGEDRN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000122103709 1414364065 /nfs/dbraw/zinc/36/40/65/1414364065.db2.gz YLYXYPVPEFOKMA-OCCSQVGLSA-N 0 0 394.381 3.081 20 30 GGEDRN C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc2c(c1)N(CC)CC2 ZINC000122120253 1414367382 /nfs/dbraw/zinc/36/73/82/1414367382.db2.gz GBMXPBXGPLEWBZ-UHFFFAOYSA-N 0 0 381.451 3.361 20 30 GGEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)c2cccc(OCc3cccnc3)c2)c1 ZINC000122133068 1414370156 /nfs/dbraw/zinc/37/01/56/1414370156.db2.gz VHQHLOCHKZFIFB-UHFFFAOYSA-N 0 0 399.450 3.035 20 30 GGEDRN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000122140627 1414371514 /nfs/dbraw/zinc/37/15/14/1414371514.db2.gz MPITVGHXWAQNMJ-ZDUSSCGKSA-N 0 0 377.429 3.494 20 30 GGEDRN COc1ccc2c(ccn2CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000122139424 1414371707 /nfs/dbraw/zinc/37/17/07/1414371707.db2.gz RBYJIUFCVPGTRI-QFIPXVFZSA-N 0 0 388.471 3.059 20 30 GGEDRN COc1cccc(CO[C@@H](C)C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000122146610 1414373976 /nfs/dbraw/zinc/37/39/76/1414373976.db2.gz JRWYCRMUUWJWMR-AVRDEDQJSA-N 0 0 393.487 3.009 20 30 GGEDRN N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000122151180 1414374163 /nfs/dbraw/zinc/37/41/63/1414374163.db2.gz XVUFGUKFHPZWRM-NRFANRHFSA-N 0 0 389.434 3.034 20 30 GGEDRN COc1cccc2cc(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)oc21 ZINC000122152750 1414374836 /nfs/dbraw/zinc/37/48/36/1414374836.db2.gz ISMMHEGROJGPMK-SFHVURJKSA-N 0 0 375.428 3.464 20 30 GGEDRN N#Cc1ccc(CNC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)cc1 ZINC000122154585 1414375736 /nfs/dbraw/zinc/37/57/36/1414375736.db2.gz DODPICCCWDAEKU-UHFFFAOYSA-N 0 0 389.312 3.227 20 30 GGEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000122160424 1414376356 /nfs/dbraw/zinc/37/63/56/1414376356.db2.gz LQOSWIPBDJXZFN-OAQYLSRUSA-N 0 0 389.434 3.238 20 30 GGEDRN C=CCN(Cc1nc(CCC)no1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000122160955 1414377046 /nfs/dbraw/zinc/37/70/46/1414377046.db2.gz FPVFKGMUONDRFK-UHFFFAOYSA-N 0 0 389.399 3.418 20 30 GGEDRN C=CCN(Cc1nnc(C2CC2)o1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000122160692 1414377121 /nfs/dbraw/zinc/37/71/21/1414377121.db2.gz GUJCNLQEIZSRHK-UHFFFAOYSA-N 0 0 387.383 3.343 20 30 GGEDRN Cc1c(NC(=O)N(C)Cc2cccc(C#N)c2)c(=O)n(-c2ccccc2)n1C ZINC000122163514 1414377284 /nfs/dbraw/zinc/37/72/84/1414377284.db2.gz VKSPHEUXNSURQR-UHFFFAOYSA-N 0 0 375.432 3.020 20 30 GGEDRN CC(C)C(=O)Nc1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000122161115 1414377443 /nfs/dbraw/zinc/37/74/43/1414377443.db2.gz GGXGNHBYWRINNX-OAQYLSRUSA-N 0 0 390.487 3.304 20 30 GGEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)c2csc(-c3ccc(F)cc3)n2)c1 ZINC000122165429 1414377968 /nfs/dbraw/zinc/37/79/68/1414377968.db2.gz POJOPTRUMPYUBG-UHFFFAOYSA-N 0 0 393.443 3.323 20 30 GGEDRN Cn1c(Cl)c(Cl)cc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000122167787 1414378385 /nfs/dbraw/zinc/37/83/85/1414378385.db2.gz OIBOQYIYPUPGPO-MRXNPFEDSA-N 0 0 377.275 3.355 20 30 GGEDRN CCc1c(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cnn1-c1ccccc1 ZINC000122175165 1414379885 /nfs/dbraw/zinc/37/98/85/1414379885.db2.gz SCXMZLGAVSNNLW-HSZRJFAPSA-N 0 0 399.498 3.457 20 30 GGEDRN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)CCc1nc(-c2ccsc2)no1 ZINC000122197644 1414385884 /nfs/dbraw/zinc/38/58/84/1414385884.db2.gz GNDLRFNFEKSEHT-ZDUSSCGKSA-N 0 0 377.429 3.494 20 30 GGEDRN CCC(=O)Nc1cccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000122213119 1414390221 /nfs/dbraw/zinc/39/02/21/1414390221.db2.gz BMGNVTUKFRYVGA-FQEVSTJZSA-N 0 0 376.460 3.058 20 30 GGEDRN CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000122213017 1414390304 /nfs/dbraw/zinc/39/03/04/1414390304.db2.gz OAECOLZXEIQYCK-LJQANCHMSA-N 0 0 397.500 3.106 20 30 GGEDRN CCc1noc(-c2ccc(C)c(NC(=O)C#Cc3ccc4c(c3)OCO4)c2)n1 ZINC000122216275 1414391348 /nfs/dbraw/zinc/39/13/48/1414391348.db2.gz CLDMVBIKYSJIOJ-UHFFFAOYSA-N 0 0 375.384 3.326 20 30 GGEDRN CC(C)Cc1ccc(CCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 ZINC000122221602 1414392861 /nfs/dbraw/zinc/39/28/61/1414392861.db2.gz MNTQCUFLUSFJCS-SFHVURJKSA-N 0 0 391.519 3.217 20 30 GGEDRN CC(C)[C@H](NC(=O)c1cccs1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C ZINC000122219863 1414392918 /nfs/dbraw/zinc/39/29/18/1414392918.db2.gz ZKRQSZGJJPSSEI-DYVFJYSZSA-N 0 0 380.473 3.266 20 30 GGEDRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)[C@H](C#N)c2nc3ccccc3n2C)C1 ZINC000122220676 1414392997 /nfs/dbraw/zinc/39/29/97/1414392997.db2.gz LMVDTYYKPLIZIH-SJORKVTESA-N 0 0 395.507 3.217 20 30 GGEDRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@](C)(C#N)C(C)C)cc2)cc1 ZINC000122239082 1414397839 /nfs/dbraw/zinc/39/78/39/1414397839.db2.gz MBUUGASJMBVMDJ-OAQYLSRUSA-N 0 0 399.516 3.488 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000122247491 1414400593 /nfs/dbraw/zinc/40/05/93/1414400593.db2.gz PZYIPDGNRKUWJZ-MRXNPFEDSA-N 0 0 392.463 3.046 20 30 GGEDRN CC(C)c1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)nn1C ZINC000177590242 1428805042 /nfs/dbraw/zinc/80/50/42/1428805042.db2.gz JMAVSCXEJZEBAI-LBPRGKRZSA-N 0 0 395.488 3.210 20 30 GGEDRN Cc1cccc2c(CC(=O)[C@H](C#N)c3nc(N)nc(Nc4ccccc4)n3)c[nH]c21 ZINC000122259305 1414404162 /nfs/dbraw/zinc/40/41/62/1414404162.db2.gz KZTWUNGSOCTPJZ-KRWDZBQOSA-N 0 0 397.442 3.406 20 30 GGEDRN CCc1ccccc1N1C[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C)CC1=O ZINC000122263457 1414405317 /nfs/dbraw/zinc/40/53/17/1414405317.db2.gz HCJVRAPNFJJBGI-IRXDYDNUSA-N 0 0 386.455 3.365 20 30 GGEDRN CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000122263992 1414405386 /nfs/dbraw/zinc/40/53/86/1414405386.db2.gz OSJDQHWHDGVIEC-LBPRGKRZSA-N 0 0 383.370 3.086 20 30 GGEDRN CCc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc4ccccc4n3C)CC2=O)cc1 ZINC000122273018 1414407472 /nfs/dbraw/zinc/40/74/72/1414407472.db2.gz GHHUBCBJVWEILG-FUHWJXTLSA-N 0 0 386.455 3.365 20 30 GGEDRN CCc1ccc(N2C[C@H](C(=O)[C@H](C#N)c3nc4ccccc4n3C)CC2=O)cc1 ZINC000122273205 1414407508 /nfs/dbraw/zinc/40/75/08/1414407508.db2.gz GHHUBCBJVWEILG-AEFFLSMTSA-N 0 0 386.455 3.365 20 30 GGEDRN CCc1ccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc4ccccc4n3C)CC2=O)cc1 ZINC000122272839 1414407551 /nfs/dbraw/zinc/40/75/51/1414407551.db2.gz GHHUBCBJVWEILG-SJLPKXTDSA-N 0 0 386.455 3.365 20 30 GGEDRN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177592370 1428805531 /nfs/dbraw/zinc/80/55/31/1428805531.db2.gz BOCRSZJDSFTCOB-SIKLNZKXSA-N 0 0 399.535 3.372 20 30 GGEDRN C[C@H]1Sc2ccc(C(O)=C(C#N)c3nc4ccccc4n3C)cc2NC1=O ZINC000122282487 1414410939 /nfs/dbraw/zinc/41/09/39/1414410939.db2.gz WPJKONWVNYQCTA-DGCLKSJQSA-N 0 0 376.441 3.496 20 30 GGEDRN CN(CCC#N)c1ccc(CNc2ccc(CN3C(=O)CCC3=O)cc2)cc1 ZINC000122292402 1414414523 /nfs/dbraw/zinc/41/45/23/1414414523.db2.gz OPSATAPKVOLYBV-UHFFFAOYSA-N 0 0 376.460 3.298 20 30 GGEDRN C=CCn1c(SCC(=O)NC2CCOCC2)nnc1-c1ccc(Cl)cc1 ZINC000122291847 1414414728 /nfs/dbraw/zinc/41/47/28/1414414728.db2.gz GJOAIKSVASTHBB-UHFFFAOYSA-N 0 0 392.912 3.172 20 30 GGEDRN COc1nn(C)c2nc(C)c(CCC(=O)[C@@H](C#N)c3nc(C)cs3)c(C)c12 ZINC000122298922 1414416734 /nfs/dbraw/zinc/41/67/34/1414416734.db2.gz CFVZTGKGSFEQKN-CQSZACIVSA-N 0 0 383.477 3.168 20 30 GGEDRN COc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1OCC(F)(F)F ZINC000122326244 1414424370 /nfs/dbraw/zinc/42/43/70/1414424370.db2.gz VGHVHFOSCRLMME-UHFFFAOYSA-N 0 0 386.351 3.309 20 30 GGEDRN COc1cccc(NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)c1 ZINC000177597749 1428807107 /nfs/dbraw/zinc/80/71/07/1428807107.db2.gz QPHBZUDHVXPKTK-ACJLOTCBSA-N 0 0 382.391 3.391 20 30 GGEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CC)c2cc(F)ccc2F)c1 ZINC000122331554 1414425777 /nfs/dbraw/zinc/42/57/77/1414425777.db2.gz NMTLQCVRQDMMFA-SFHVURJKSA-N 0 0 394.443 3.310 20 30 GGEDRN Cc1cc(CN2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)CC2)on1 ZINC000122341723 1414428556 /nfs/dbraw/zinc/42/85/56/1414428556.db2.gz XLWFDCHWWSKXAH-UHFFFAOYSA-N 0 0 390.491 3.078 20 30 GGEDRN CC(C)(C)[C@@H](C#N)NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000122346186 1414429587 /nfs/dbraw/zinc/42/95/87/1414429587.db2.gz YJIYCMPKNLLURN-MRXNPFEDSA-N 0 0 383.521 3.350 20 30 GGEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@H](O)c1ccccc1F ZINC000122347005 1414430230 /nfs/dbraw/zinc/43/02/30/1414430230.db2.gz SFJOQLFBAAAYES-KRWDZBQOSA-N 0 0 380.341 3.229 20 30 GGEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@@H](O)c1ccccc1F ZINC000122346802 1414430266 /nfs/dbraw/zinc/43/02/66/1414430266.db2.gz SFJOQLFBAAAYES-QGZVFWFLSA-N 0 0 380.341 3.229 20 30 GGEDRN CC(C)(C)[C@H](C#N)NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000122346430 1414430451 /nfs/dbraw/zinc/43/04/51/1414430451.db2.gz YJIYCMPKNLLURN-INIZCTEOSA-N 0 0 383.521 3.350 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N[C@H](C#N)C(C)(C)C)c1)c1ccccc1 ZINC000122352123 1414432014 /nfs/dbraw/zinc/43/20/14/1414432014.db2.gz DUDGQJAUTAKQGG-DNVCBOLYSA-N 0 0 399.516 3.394 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N[C@@H](C#N)C(C)(C)C)c1)c1ccccc1 ZINC000122351655 1414432126 /nfs/dbraw/zinc/43/21/26/1414432126.db2.gz DUDGQJAUTAKQGG-BEFAXECRSA-N 0 0 399.516 3.394 20 30 GGEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)cc1 ZINC000177602546 1428807921 /nfs/dbraw/zinc/80/79/21/1428807921.db2.gz ZMEODOANRCOLCP-ACJLOTCBSA-N 0 0 382.391 3.391 20 30 GGEDRN CC(C)c1nnc(CCC(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000177601589 1428807996 /nfs/dbraw/zinc/80/79/96/1428807996.db2.gz KMYJFDKOWDKJPC-NSHDSACASA-N 0 0 378.791 3.266 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)CCC(=O)c1ccc(F)cc1F ZINC000122367409 1414437181 /nfs/dbraw/zinc/43/71/81/1414437181.db2.gz VCOUNWUCGJTWGT-UHFFFAOYSA-N 0 0 386.398 3.475 20 30 GGEDRN CS(=O)(=O)CC1(CC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)CC1 ZINC000177605542 1428808295 /nfs/dbraw/zinc/80/82/95/1428808295.db2.gz HRBDPIBWAAWFIS-LLVKDONJSA-N 0 0 382.894 3.341 20 30 GGEDRN Cc1oc(NC(=O)[C@@H](C)N2CCC(OC[C@@H]3CCCCO3)CC2)c(C#N)c1C ZINC000177605047 1428808322 /nfs/dbraw/zinc/80/83/22/1428808322.db2.gz HLPKIODYZSJZDC-QAPCUYQASA-N 0 0 389.496 3.145 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000122374847 1414438476 /nfs/dbraw/zinc/43/84/76/1414438476.db2.gz PMDKOPQMVKFMPP-UHFFFAOYSA-N 0 0 396.418 3.342 20 30 GGEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000122377489 1414439331 /nfs/dbraw/zinc/43/93/31/1414439331.db2.gz RYZHSTGWRXSXHY-SFHVURJKSA-N 0 0 383.517 3.152 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C[C@@H]2CCC[C@H](C)C2)cc1OC ZINC000122418498 1414452969 /nfs/dbraw/zinc/45/29/69/1414452969.db2.gz GEHQEYLOZFDXON-CGTJXYLNSA-N 0 0 386.492 3.288 20 30 GGEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C[C@@H]2CCC[C@@H](C)C2)cc1OC ZINC000122418313 1414453012 /nfs/dbraw/zinc/45/30/12/1414453012.db2.gz GEHQEYLOZFDXON-KBAYOESNSA-N 0 0 386.492 3.288 20 30 GGEDRN CC1CCN(c2nnc(SC[C@H](C#N)CCC#N)n2C[C@@H]2CCCO2)CC1 ZINC000122416387 1414453265 /nfs/dbraw/zinc/45/32/65/1414453265.db2.gz YXECWHXLUNZEIK-IRXDYDNUSA-N 0 0 388.541 3.229 20 30 GGEDRN C=C(C)COCCNC(=O)NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000177611441 1428810068 /nfs/dbraw/zinc/81/00/68/1428810068.db2.gz HEXHKTONTRWBHH-UHFFFAOYSA-N 0 0 378.476 3.477 20 30 GGEDRN CN(C)C(=O)Nc1ccc(C(=O)N(CCC#N)Cc2ccccn2)c(Cl)c1 ZINC000122444131 1414462031 /nfs/dbraw/zinc/46/20/31/1414462031.db2.gz LDXRMKCIPBXOKG-UHFFFAOYSA-N 0 0 385.855 3.385 20 30 GGEDRN C#CCOc1ccccc1[C@H](C)OC(=O)c1cc(N2CCNC2=O)ccc1F ZINC000122446751 1414462707 /nfs/dbraw/zinc/46/27/07/1414462707.db2.gz HBJAHKLHKGWGQD-AWEZNQCLSA-N 0 0 382.391 3.285 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000122446600 1414462726 /nfs/dbraw/zinc/46/27/26/1414462726.db2.gz SRGJKXLGHLTFOX-UHFFFAOYSA-N 0 0 379.395 3.052 20 30 GGEDRN N#CCCN(C(=O)CCC(=O)N1CCOc2ccc(F)cc21)c1ccccc1 ZINC000122446420 1414462772 /nfs/dbraw/zinc/46/27/72/1414462772.db2.gz ITPILOQKUZHDLM-UHFFFAOYSA-N 0 0 381.407 3.278 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCCc3cc(OC)ccc32)c1 ZINC000122447782 1414463667 /nfs/dbraw/zinc/46/36/67/1414463667.db2.gz OXCKBHNKMVAWMP-QGZVFWFLSA-N 0 0 394.471 3.435 20 30 GGEDRN COc1ccc(N2C[C@@H](C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2=O)cc1 ZINC000122452910 1414464814 /nfs/dbraw/zinc/46/48/14/1414464814.db2.gz OBBWCTBETMXMTB-HNNXBMFYSA-N 0 0 380.448 3.115 20 30 GGEDRN COc1ccc(CC(=O)NCc2ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc2)cc1 ZINC000122452770 1414464966 /nfs/dbraw/zinc/46/49/66/1414464966.db2.gz SGRDLTGWGYAJMH-FQEVSTJZSA-N 0 0 393.487 3.222 20 30 GGEDRN CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000122454088 1414465094 /nfs/dbraw/zinc/46/50/94/1414465094.db2.gz VZDXTYLQENXKFY-UHFFFAOYSA-N 0 0 388.493 3.054 20 30 GGEDRN N#CC(C(=O)C1CCN(c2cnccn2)CC1)c1nc(-c2ccncc2)cs1 ZINC000177611748 1428810569 /nfs/dbraw/zinc/81/05/69/1428810569.db2.gz KYIBSSFEEZKFAG-INIZCTEOSA-N 0 0 390.472 3.088 20 30 GGEDRN N#CC(C(=O)C1CCN(c2cnccn2)CC1)c1nc(-c2ccncc2)cs1 ZINC000177611757 1428810677 /nfs/dbraw/zinc/81/06/77/1428810677.db2.gz KYIBSSFEEZKFAG-MRXNPFEDSA-N 0 0 390.472 3.088 20 30 GGEDRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000122469632 1414471777 /nfs/dbraw/zinc/47/17/77/1414471777.db2.gz FJHBIDISHOGTEY-HNNXBMFYSA-N 0 0 397.862 3.395 20 30 GGEDRN C=CCn1c(S[C@H](C)c2nc(N)nc(N(C)C)n2)nnc1-c1ccc(C)cc1 ZINC000122480098 1414476127 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N#CCCN(CC(F)(F)F)C(=O)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000177619802 1428813308 /nfs/dbraw/zinc/81/33/08/1428813308.db2.gz SGHRTTVPSRZROT-UHFFFAOYSA-N 0 0 387.255 3.279 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)c2cn(Cc3cccc(F)c3)nn2)c1 ZINC000122554799 1414499122 /nfs/dbraw/zinc/49/91/22/1414499122.db2.gz VMXGPMXODJNKFV-UHFFFAOYSA-N 0 0 379.395 3.400 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)Nc1c(-c2ccco2)nc2ccccn21 ZINC000177622033 1428813602 /nfs/dbraw/zinc/81/36/02/1428813602.db2.gz KKKZKTKCQFSYHO-UHFFFAOYSA-N 0 0 388.383 3.492 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc3oc(=O)ccc3c2)cc1C(F)(F)F ZINC000177621559 1428813748 /nfs/dbraw/zinc/81/37/48/1428813748.db2.gz BZEBWTJRPSWLLD-UHFFFAOYSA-N 0 0 394.330 3.484 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCOc3cc(F)ccc32)cc1C(F)(F)F ZINC000177623122 1428814132 /nfs/dbraw/zinc/81/41/32/1428814132.db2.gz VOSRIPCVJDENFX-UHFFFAOYSA-N 0 0 386.326 3.304 20 30 GGEDRN Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C/c1coc(-c2ccccc2)n1 ZINC000122605765 1414514905 /nfs/dbraw/zinc/51/49/05/1414514905.db2.gz YTVLYJNSIGOINQ-MDZDMXLPSA-N 0 0 399.472 3.096 20 30 GGEDRN Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C/c1ccccc1OC(F)F ZINC000122611850 1414516658 /nfs/dbraw/zinc/51/66/58/1414516658.db2.gz NJRTVFOQKRQAEW-CMDGGOBGSA-N 0 0 398.431 3.042 20 30 GGEDRN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000122613395 1414517157 /nfs/dbraw/zinc/51/71/57/1414517157.db2.gz HEIADQDMKYAOGL-KBPBESRZSA-N 0 0 387.871 3.039 20 30 GGEDRN COc1ccccc1CN(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177625786 1428815111 /nfs/dbraw/zinc/81/51/11/1428815111.db2.gz XTCMZOPPCSLXAR-UHFFFAOYSA-N 0 0 384.379 3.406 20 30 GGEDRN CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177626747 1428815166 /nfs/dbraw/zinc/81/51/66/1428815166.db2.gz UJCCUFOBULTAER-UHFFFAOYSA-N 0 0 398.362 3.126 20 30 GGEDRN Cn1cccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177627654 1428815451 /nfs/dbraw/zinc/81/54/51/1428815451.db2.gz NTEFRYSGHJZCTO-MRXNPFEDSA-N 0 0 383.395 3.441 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N(Cc2cccnc2)C2CC2)cc1C(F)(F)F ZINC000177626990 1428815479 /nfs/dbraw/zinc/81/54/79/1428815479.db2.gz AXMOXAZIKSOYDA-UHFFFAOYSA-N 0 0 381.379 3.325 20 30 GGEDRN CCCOc1ccc(/C=C/C(=O)c2c(C)nn(CCS(C)(=O)=O)c2C)cc1 ZINC000122647573 1414527913 /nfs/dbraw/zinc/52/79/13/1414527913.db2.gz YMUUNEFYQLOOGO-DHZHZOJOSA-N 0 0 390.505 3.229 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)CCC(=O)N3)cc1C(F)(F)F ZINC000177627725 1428815546 /nfs/dbraw/zinc/81/55/46/1428815546.db2.gz OBSDKNAFYSWYQK-UHFFFAOYSA-N 0 0 396.346 3.229 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1C(F)(F)F ZINC000177627507 1428815583 /nfs/dbraw/zinc/81/55/83/1428815583.db2.gz JIWFDFFJSHPOQM-UHFFFAOYSA-N 0 0 397.334 3.237 20 30 GGEDRN N#Cc1cccc(CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c1 ZINC000122657795 1414530894 /nfs/dbraw/zinc/53/08/94/1414530894.db2.gz VTEWTNKWURZUBN-UHFFFAOYSA-N 0 0 382.466 3.383 20 30 GGEDRN CCc1noc(C)c1CON=C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000122656704 1414531044 /nfs/dbraw/zinc/53/10/44/1414531044.db2.gz ZXZLQNIWISKKGB-UHFFFAOYSA-N 0 0 391.493 3.211 20 30 GGEDRN N#Cc1c(F)cccc1S(=O)(=O)Oc1ccc(OCC(F)(F)F)cc1 ZINC000122666803 1414533659 /nfs/dbraw/zinc/53/36/59/1414533659.db2.gz MYOFIZMECVPXNT-UHFFFAOYSA-N 0 0 375.299 3.406 20 30 GGEDRN C[C@H](COc1cccc(C#N)c1)OC(=O)CCN1c2ccccc2CCC1=O ZINC000122675600 1414535355 /nfs/dbraw/zinc/53/53/55/1414535355.db2.gz FZLLDUMGHFBODI-MRXNPFEDSA-N 0 0 378.428 3.238 20 30 GGEDRN C=CCn1c(COc2ccccc2)nnc1S[C@@H](C(N)=O)c1ccccc1 ZINC000122711503 1414544875 /nfs/dbraw/zinc/54/48/75/1414544875.db2.gz OKCBQQYVYOXDNB-GOSISDBHSA-N 0 0 380.473 3.362 20 30 GGEDRN Cc1ccc(NC(=O)C2CCN(C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)nc1 ZINC000122715423 1414546202 /nfs/dbraw/zinc/54/62/02/1414546202.db2.gz QNKODJUTIUFELE-INIZCTEOSA-N 0 0 391.475 3.383 20 30 GGEDRN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)N[C@H](C)c3ccc(C#N)cc3)C2)nc1 ZINC000122716560 1414546971 /nfs/dbraw/zinc/54/69/71/1414546971.db2.gz WSHOFZGVNJVOHW-APWZRJJASA-N 0 0 391.475 3.383 20 30 GGEDRN C[C@@H](CCCO)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000122737554 1414552831 /nfs/dbraw/zinc/55/28/31/1414552831.db2.gz OIGQGPZQIYZVGI-KSSFIOAISA-N 0 0 399.878 3.211 20 30 GGEDRN CC(C)(C)Oc1c(F)cc(NC(=O)CNC(=O)c2ccc(C#N)cc2)cc1F ZINC000122751709 1414556725 /nfs/dbraw/zinc/55/67/25/1414556725.db2.gz KIICWRCSRZCJRN-UHFFFAOYSA-N 0 0 387.386 3.382 20 30 GGEDRN N#Cc1c(F)cccc1S(=O)(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000122755938 1414556992 /nfs/dbraw/zinc/55/69/92/1414556992.db2.gz KYWCGDWDNVLOPB-ZDUSSCGKSA-N 0 0 380.466 3.129 20 30 GGEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000122759673 1414558245 /nfs/dbraw/zinc/55/82/45/1414558245.db2.gz YIXMWBFKZYWFQQ-UHFFFAOYSA-N 0 0 397.519 3.357 20 30 GGEDRN N#Cc1c(NC(=O)COc2ccc(C(N)=O)cc2)sc2c1CCCCCC2 ZINC000122770926 1414560227 /nfs/dbraw/zinc/56/02/27/1414560227.db2.gz ISPVSFJYQWJWPX-UHFFFAOYSA-N 0 0 383.473 3.395 20 30 GGEDRN C[C@@H]1CC[C@@H](CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 ZINC000177635587 1428818170 /nfs/dbraw/zinc/81/81/70/1428818170.db2.gz JIDBCRNRPNFHGA-PDVRKFODSA-N 0 0 377.510 3.264 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1cccc(N2CCCC2)c1 ZINC000122777982 1414561773 /nfs/dbraw/zinc/56/17/73/1414561773.db2.gz SAMCGLWJJUVEBN-CQSZACIVSA-N 0 0 380.423 3.113 20 30 GGEDRN C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)c1 ZINC000122778298 1414562478 /nfs/dbraw/zinc/56/24/78/1414562478.db2.gz WMBJJVLCFCFSHH-KRWDZBQOSA-N 0 0 391.471 3.115 20 30 GGEDRN CCn1c(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)nnc1-c1cccnc1 ZINC000122784155 1414564505 /nfs/dbraw/zinc/56/45/05/1414564505.db2.gz KSIQPBVBTUSRCJ-KRWDZBQOSA-N 0 0 390.472 3.129 20 30 GGEDRN C=C(Br)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000122793799 1414566348 /nfs/dbraw/zinc/56/63/48/1414566348.db2.gz MRQNVBNFJNDMOV-UHFFFAOYSA-N 0 0 385.567 3.322 20 30 GGEDRN C#Cc1cccc(N(C)S(=O)(=O)c2cc(C(=O)OC)c(F)cc2Cl)c1 ZINC000122795586 1414566698 /nfs/dbraw/zinc/56/66/98/1414566698.db2.gz MUKRFMMUKGAOEV-UHFFFAOYSA-N 0 0 381.812 3.072 20 30 GGEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000122796249 1414566917 /nfs/dbraw/zinc/56/69/17/1414566917.db2.gz DNWFLFYSEGXSGL-UHFFFAOYSA-N 0 0 391.836 3.473 20 30 GGEDRN C=CCn1c(C)nn(CN2CC[C@@H](CN(CC)CC(F)(F)F)C2)c1=S ZINC000177638326 1428818876 /nfs/dbraw/zinc/81/88/76/1428818876.db2.gz VZDWETWHMVIHDC-AWEZNQCLSA-N 0 0 377.480 3.072 20 30 GGEDRN CCn1c(S[C@@H]2CCN(c3sccc3C#N)C2=O)nnc1-c1cccnc1 ZINC000122813939 1414571113 /nfs/dbraw/zinc/57/11/13/1414571113.db2.gz HTKAYZAMSICCSJ-CQSZACIVSA-N 0 0 396.501 3.191 20 30 GGEDRN C=CCN(CC(=O)OCC)C(=O)c1c(C)nn(Cc2ccccc2)c1Cl ZINC000122818414 1414572491 /nfs/dbraw/zinc/57/24/91/1414572491.db2.gz NMXJZFAZHIKKFN-UHFFFAOYSA-N 0 0 375.856 3.085 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000122816976 1414572665 /nfs/dbraw/zinc/57/26/65/1414572665.db2.gz TVDQGZKDVOPDDO-NHCUHLMSSA-N 0 0 393.487 3.050 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)c3ccc(F)cc3F)c(C#N)c2N)cc1 ZINC000122819667 1414573270 /nfs/dbraw/zinc/57/32/70/1414573270.db2.gz OFSRNIARCVVXJQ-UHFFFAOYSA-N 0 0 395.413 3.275 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)Cc3ccccc3F)c(C#N)c2N)cc1 ZINC000122823875 1414574258 /nfs/dbraw/zinc/57/42/58/1414574258.db2.gz KNDRSPONBJGDBR-UHFFFAOYSA-N 0 0 391.450 3.065 20 30 GGEDRN N#Cc1ccc(-c2nnc(CN3CCN(c4cc(F)ccc4F)CC3)o2)cc1 ZINC000177639713 1428819381 /nfs/dbraw/zinc/81/93/81/1428819381.db2.gz OBZXLMXOKGQQPH-UHFFFAOYSA-N 0 0 381.386 3.209 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)c3ccc4cc[nH]c4c3)c(C#N)c2N)cc1 ZINC000122832451 1414576554 /nfs/dbraw/zinc/57/65/54/1414576554.db2.gz ZBDNYNIAWQRZIC-UHFFFAOYSA-N 0 0 398.470 3.479 20 30 GGEDRN C=CCN(CC=C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000122836751 1414577678 /nfs/dbraw/zinc/57/76/78/1414577678.db2.gz XJSGGBQGLODLHD-UHFFFAOYSA-N 0 0 383.414 3.426 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)c3cc(F)ccc3F)c(C#N)c2N)cc1 ZINC000122838965 1414578172 /nfs/dbraw/zinc/57/81/72/1414578172.db2.gz KYTJSWRDWRXHDX-UHFFFAOYSA-N 0 0 395.413 3.275 20 30 GGEDRN 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GGEDRN N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)cc1 ZINC000177739716 1428847246 /nfs/dbraw/zinc/84/72/46/1428847246.db2.gz GBXHMYWHVHQHJX-QZTJIDSGSA-N 0 0 379.485 3.483 20 30 GGEDRN CCS(=O)(=O)N(CCCOc1cccc(C#N)c1)c1ccc(C(C)=O)cc1 ZINC000124224517 1414913470 /nfs/dbraw/zinc/91/34/70/1414913470.db2.gz ONMVMNZMRHXYBX-UHFFFAOYSA-N 0 0 386.473 3.386 20 30 GGEDRN N#CCc1ccc(NC(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)cc1 ZINC000124236213 1414916662 /nfs/dbraw/zinc/91/66/62/1414916662.db2.gz SHEUCKRACMJYNX-SFHVURJKSA-N 0 0 377.444 3.009 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3c(Cl)cccc3C2)cc1 ZINC000124243266 1414917957 /nfs/dbraw/zinc/91/79/57/1414917957.db2.gz FJXYRSOONAMFCD-UHFFFAOYSA-N 0 0 390.892 3.003 20 30 GGEDRN CCOc1cccc(NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 ZINC000124254180 1414921213 /nfs/dbraw/zinc/92/12/13/1414921213.db2.gz LGAKYHMNASCDOG-UHFFFAOYSA-N 0 0 385.423 3.457 20 30 GGEDRN Cc1cncc(CNC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000124259021 1414923032 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GGEDRN CC(C)c1csc([C@H](C#N)C(=O)c2cccc(N3CCCS3(=O)=O)c2)n1 ZINC000177759386 1428851752 /nfs/dbraw/zinc/85/17/52/1428851752.db2.gz TXSWOTFMQJYCHK-OAHLLOKOSA-N 0 0 389.502 3.296 20 30 GGEDRN COC(=O)[C@@H](C)[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000124437996 1414968198 /nfs/dbraw/zinc/96/81/98/1414968198.db2.gz HMYQNNIYHKZSPR-YVEFUNNKSA-N 0 0 392.864 3.040 20 30 GGEDRN COC(=O)[C@H](C)[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000124437735 1414968229 /nfs/dbraw/zinc/96/82/29/1414968229.db2.gz HMYQNNIYHKZSPR-PXAZEXFGSA-N 0 0 392.864 3.040 20 30 GGEDRN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)C(=O)N3CCCC3)cc12 ZINC000124437779 1414968355 /nfs/dbraw/zinc/96/83/55/1414968355.db2.gz ZOLNCUFJRZFEDU-MRXNPFEDSA-N 0 0 396.447 3.479 20 30 GGEDRN N#Cc1ccc(C(=O)Oc2ccc(O[C@H]3CCCCNC3=O)cc2)cc1Cl ZINC000124439220 1414968645 /nfs/dbraw/zinc/96/86/45/1414968645.db2.gz JOLDQPUATBIOKQ-SFHVURJKSA-N 0 0 384.819 3.478 20 30 GGEDRN C[C@@H](ON=C(N)c1ccsc1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000124438562 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1415291896 /nfs/dbraw/zinc/29/18/96/1415291896.db2.gz BKBLVBOOHULLJC-KUHUBIRLSA-N 0 0 397.862 3.434 20 30 GGEDRN CN1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1=O ZINC000125828415 1415292014 /nfs/dbraw/zinc/29/20/14/1415292014.db2.gz MFCZTNMCCKHISP-QGZVFWFLSA-N 0 0 382.851 3.301 20 30 GGEDRN CCN([C@H](COC)Cc1ccccc1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125832777 1415292992 /nfs/dbraw/zinc/29/29/92/1415292992.db2.gz XMYKATFZLBWYMI-INIZCTEOSA-N 0 0 394.443 3.105 20 30 GGEDRN COc1cc(CN2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)cc(OC)c1 ZINC000177919126 1428891704 /nfs/dbraw/zinc/89/17/04/1428891704.db2.gz TUAXECMTFCZRDI-UHFFFAOYSA-N 0 0 398.438 3.064 20 30 GGEDRN CNC(=O)c1cccc(C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)c1 ZINC000125844631 1415294971 /nfs/dbraw/zinc/29/49/71/1415294971.db2.gz FIXWZKUSWSAIDT-UHFFFAOYSA-N 0 0 391.456 3.078 20 30 GGEDRN CCCOc1ccc(N2C(=O)C[C@@H](N(C)Cc3cccc(C#N)c3)C2=O)cc1 ZINC000125842667 1415295149 /nfs/dbraw/zinc/29/51/49/1415295149.db2.gz RQIURWWSHLKUQJ-HXUWFJFHSA-N 0 0 377.444 3.111 20 30 GGEDRN CCCOc1ccc(N2C(=O)C[C@H](N(C)Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000125845936 1415295589 /nfs/dbraw/zinc/29/55/89/1415295589.db2.gz JMJVNGRKYCHPSO-FQEVSTJZSA-N 0 0 377.444 3.111 20 30 GGEDRN N#Cc1ccc(CSc2nnc(-c3cc(-c4ccccc4)n[nH]3)n2N)c(F)c1 ZINC000125849027 1415296609 /nfs/dbraw/zinc/29/66/09/1415296609.db2.gz OKVVIBUDFBOLJY-UHFFFAOYSA-N 0 0 391.435 3.352 20 30 GGEDRN C[C@H](C#N)Oc1ccc(CNc2cccc(C(=O)N3CCC(CO)CC3)c2)cc1 ZINC000125853485 1415297691 /nfs/dbraw/zinc/29/76/91/1415297691.db2.gz UBZQQHHCLUQHKB-QGZVFWFLSA-N 0 0 393.487 3.434 20 30 GGEDRN C[C@@H](C#N)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 ZINC000125856799 1415298094 /nfs/dbraw/zinc/29/80/94/1415298094.db2.gz SQMDWHNKHHVHHH-LBPRGKRZSA-N 0 0 399.426 3.333 20 30 GGEDRN Cc1c(NCC(=O)N(CCC#N)CCC#N)cccc1C(=O)Nc1ccccc1 ZINC000125857878 1415298608 /nfs/dbraw/zinc/29/86/08/1415298608.db2.gz GAYMDEGIDHPRET-UHFFFAOYSA-N 0 0 389.459 3.315 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000125861976 1415299651 /nfs/dbraw/zinc/29/96/51/1415299651.db2.gz BCPLQHWZFLUSKC-IBGZPJMESA-N 0 0 387.487 3.242 20 30 GGEDRN C=CCn1c(-c2cnccn2)nn(CN(C)Cc2ccccc2[N+](=O)[O-])c1=S ZINC000177942430 1428896691 /nfs/dbraw/zinc/89/66/91/1428896691.db2.gz JWOUJCMIQIXHJY-UHFFFAOYSA-N 0 0 397.464 3.055 20 30 GGEDRN CC(C)(CNC(=O)Nc1cccc(C#Cc2ccccc2)c1)N1CCOCC1 ZINC000125883870 1415304137 /nfs/dbraw/zinc/30/41/37/1415304137.db2.gz HXDYXYOIJFBLOB-UHFFFAOYSA-N 0 0 377.488 3.319 20 30 GGEDRN N#C[C@H](NC(=O)CNC(=O)c1ccc(F)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000125887006 1415304749 /nfs/dbraw/zinc/30/47/49/1415304749.db2.gz FWXIRBQDDVGSHE-HNNXBMFYSA-N 0 0 398.196 3.382 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)COC3CCCCC3)c(C#N)c2N)cc1 ZINC000125893301 1415306407 /nfs/dbraw/zinc/30/64/07/1415306407.db2.gz DPDPDYKPSHTPEY-UHFFFAOYSA-N 0 0 395.507 3.033 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000125898823 1415307615 /nfs/dbraw/zinc/30/76/15/1415307615.db2.gz HWLBLXWKOPPDPM-HNNXBMFYSA-N 0 0 381.407 3.321 20 30 GGEDRN Cc1ccc(-n2nnnc2S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000125902577 1415309033 /nfs/dbraw/zinc/30/90/33/1415309033.db2.gz WFCHELDEYCSESB-SFHVURJKSA-N 0 0 390.472 3.048 20 30 GGEDRN COc1cc(C#N)ccc1OCCSc1nnc(-c2cccc(C)c2)n1N ZINC000125908259 1415310220 /nfs/dbraw/zinc/31/02/20/1415310220.db2.gz INWWIKCXADVDEX-UHFFFAOYSA-N 0 0 381.461 3.019 20 30 GGEDRN CCn1c(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)nnc1-c1ccncc1 ZINC000125911159 1415310457 /nfs/dbraw/zinc/31/04/57/1415310457.db2.gz QCHAGBCGPCLVGP-KRWDZBQOSA-N 0 0 390.472 3.129 20 30 GGEDRN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000177969165 1428907123 /nfs/dbraw/zinc/90/71/23/1428907123.db2.gz DVAMXPYZOKWQIP-AVRDEDQJSA-N 0 0 385.508 3.281 20 30 GGEDRN C#CCOc1ccc(CNc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)cc1 ZINC000125916223 1415312662 /nfs/dbraw/zinc/31/26/62/1415312662.db2.gz IOZQGUSRILKNFQ-LJQANCHMSA-N 0 0 378.472 3.155 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1c(C)onc1-c1ccccn1 ZINC000125918087 1415312677 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C=CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC(=O)OCC ZINC000126168752 1415375185 /nfs/dbraw/zinc/37/51/85/1415375185.db2.gz RLKRFUNOVXQNFC-UHFFFAOYSA-N 0 0 378.778 3.348 20 30 GGEDRN N#CCOc1cccc(CC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)c1 ZINC000126218005 1415386742 /nfs/dbraw/zinc/38/67/42/1415386742.db2.gz HIWMSMNTUDSHKW-LJQANCHMSA-N 0 0 378.428 3.266 20 30 GGEDRN C=CCOc1cccc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc(F)cc2)c1 ZINC000126255239 1415395327 /nfs/dbraw/zinc/39/53/27/1415395327.db2.gz RIVYMLCBNGFUDZ-CQSZACIVSA-N 0 0 377.437 3.439 20 30 GGEDRN C=CCOc1cccc(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc(F)cc2)c1 ZINC000126254981 1415395423 /nfs/dbraw/zinc/39/54/23/1415395423.db2.gz RIVYMLCBNGFUDZ-AWEZNQCLSA-N 0 0 377.437 3.439 20 30 GGEDRN C[C@@H](Nc1cnn(CC(F)(F)F)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000126260945 1415397140 /nfs/dbraw/zinc/39/71/40/1415397140.db2.gz SRDKHSJFLGYPPL-GFCCVEGCSA-N 0 0 383.349 3.332 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)C2CCCCCC2)c1C ZINC000126271653 1415399211 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GGEDRN N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000126303559 1415411968 /nfs/dbraw/zinc/41/19/68/1415411968.db2.gz DALPZFCPYWMAQZ-QGZVFWFLSA-N 0 0 379.485 3.188 20 30 GGEDRN C=CCn1c(Sc2cc(COC)nc(C(C)(C)C)n2)nnc1-c1cnccn1 ZINC000126305236 1415412732 /nfs/dbraw/zinc/41/27/32/1415412732.db2.gz FIHYEPHOCUWWLT-UHFFFAOYSA-N 0 0 397.508 3.306 20 30 GGEDRN C#CCCCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000126316068 1415416789 /nfs/dbraw/zinc/41/67/89/1415416789.db2.gz HLYXQIDTUSXNHN-UHFFFAOYSA-N 0 0 391.500 3.341 20 30 GGEDRN CN1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1=O ZINC000126320296 1415417398 /nfs/dbraw/zinc/41/73/98/1415417398.db2.gz NUSPJPUJEQSWPA-UHFFFAOYSA-N 0 0 398.850 3.097 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1 ZINC000126325538 1415417717 /nfs/dbraw/zinc/41/77/17/1415417717.db2.gz QICMPXPJIFGRLI-UHFFFAOYSA-N 0 0 391.862 3.360 20 30 GGEDRN CC(C)CCCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000126335941 1415420385 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N#Cc1ccc(Cn2cnc(NC(=O)c3csc(-c4ccoc4)n3)n2)cc1 ZINC000178010083 1428933346 /nfs/dbraw/zinc/93/33/46/1428933346.db2.gz NMMLMNLRNGHURR-UHFFFAOYSA-N 0 0 376.401 3.167 20 30 GGEDRN COc1ccccc1C[C@H](C)CC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000178010060 1428933366 /nfs/dbraw/zinc/93/33/66/1428933366.db2.gz UHXOVDFQZAKKIZ-INIZCTEOSA-N 0 0 389.459 3.414 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000126448938 1415456043 /nfs/dbraw/zinc/45/60/43/1415456043.db2.gz ARNNPHCTZZNJNF-UHFFFAOYSA-N 0 0 392.390 3.283 20 30 GGEDRN CCO[C@@H]1C[C@H](N(C)C(=O)/C=C/c2ccc(OCC#N)c(OC)c2)C12CCC2 ZINC000126455747 1415457629 /nfs/dbraw/zinc/45/76/29/1415457629.db2.gz DJIOWPHJZKGWTC-QOEWUMFVSA-N 0 0 384.476 3.417 20 30 GGEDRN CC#CCNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl ZINC000126461824 1415458949 /nfs/dbraw/zinc/45/89/49/1415458949.db2.gz PXDFAOVEPVRJIL-UHFFFAOYSA-N 0 0 394.855 3.057 20 30 GGEDRN CCCCCCC[C@@H](C)CNC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000126463890 1415459841 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CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CCc2c(C)noc2Cl)C1=O ZINC000127341250 1415744967 /nfs/dbraw/zinc/74/49/67/1415744967.db2.gz XQSZZSDPPZZQOQ-GOSISDBHSA-N 0 0 398.891 3.271 20 30 GGEDRN CC[C@@](C)(C#N)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000127366088 1415754680 /nfs/dbraw/zinc/75/46/80/1415754680.db2.gz DCCTZTUIYMTHAR-IBGZPJMESA-N 0 0 389.452 3.357 20 30 GGEDRN C#CCCN1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000127370609 1415755624 /nfs/dbraw/zinc/75/56/24/1415755624.db2.gz YBRCZIRROOIPCZ-UHFFFAOYSA-N 0 0 379.529 3.417 20 30 GGEDRN C[C@@H](Sc1n[nH]c(-c2cccnc2)n1)C(=O)N(CCC#N)c1ccccc1 ZINC000127392625 1415763776 /nfs/dbraw/zinc/76/37/76/1415763776.db2.gz FXZKORLLWKRWHU-CQSZACIVSA-N 0 0 378.461 3.294 20 30 GGEDRN Cc1cc(F)c(S(=O)(=O)N2CCCN(c3ccccc3C#N)CC2)cc1F ZINC000178125410 1428991391 /nfs/dbraw/zinc/99/13/91/1428991391.db2.gz FNOFMLNBYZSDPD-UHFFFAOYSA-N 0 0 391.443 3.046 20 30 GGEDRN COCCCOc1cc(C)ccc1CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000127459282 1415787246 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383.427 3.200 20 30 GGEDRN CC[C@@](C)(C#N)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000127531113 1415805532 /nfs/dbraw/zinc/80/55/32/1415805532.db2.gz WYLMQGQBYZHYSK-SFHVURJKSA-N 0 0 393.415 3.188 20 30 GGEDRN Cc1nc(CC(N)=NO[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cs1 ZINC000178145350 1428998812 /nfs/dbraw/zinc/99/88/12/1428998812.db2.gz LYGUXYTWCDLLBH-RYUDHWBXSA-N 0 0 386.477 3.295 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N2CCOC[C@@H]2c2ccc(CC)o2)c1 ZINC000127538555 1415806847 /nfs/dbraw/zinc/80/68/47/1415806847.db2.gz KBUDMIBCJVJCJY-LJQANCHMSA-N 0 0 398.459 3.336 20 30 GGEDRN CC[C@](C)(C#N)NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000127540797 1415807179 /nfs/dbraw/zinc/80/71/79/1415807179.db2.gz FVGFUURZWOSTIZ-LJQANCHMSA-N 0 0 389.452 3.357 20 30 GGEDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000127546128 1415807699 /nfs/dbraw/zinc/80/76/99/1415807699.db2.gz JPGUXSLEWAKTAT-UHFFFAOYSA-N 0 0 379.420 3.437 20 30 GGEDRN COC(=O)C1=C(C(=O)c2ccccc2F)[C@@H](c2ccc(C)c(C)c2)NC(=S)N1 ZINC000127554516 1415808850 /nfs/dbraw/zinc/80/88/50/1415808850.db2.gz BWEIBOYLQMXNSU-QGZVFWFLSA-N 0 0 398.459 3.271 20 30 GGEDRN Cc1nc(CC(C)C)c(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)s1 ZINC000127556839 1415809221 /nfs/dbraw/zinc/80/92/21/1415809221.db2.gz RDHILGBDKMEZRA-UHFFFAOYSA-N 0 0 391.518 3.075 20 30 GGEDRN Cc1cc(C)c(NC(=O)CNC(=O)Nc2ccc(F)cc2OCC#N)c(C)c1 ZINC000178148305 1428999570 /nfs/dbraw/zinc/99/95/70/1428999570.db2.gz ILFVNQXLVIMBMD-UHFFFAOYSA-N 0 0 384.411 3.414 20 30 GGEDRN CN(Cc1ccccc1N1CCOCC1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000178148043 1428999580 /nfs/dbraw/zinc/99/95/80/1428999580.db2.gz UHUYLIFMAUMWTR-UHFFFAOYSA-N 0 0 398.438 3.229 20 30 GGEDRN N#Cc1cc(NC(=O)[C@H]2CCOc3ccccc32)ccc1N1CCC(O)CC1 ZINC000127560940 1415810152 /nfs/dbraw/zinc/81/01/52/1415810152.db2.gz ODEJCIXMZNZFLZ-IBGZPJMESA-N 0 0 377.444 3.024 20 30 GGEDRN CC[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 ZINC000127566939 1415811108 /nfs/dbraw/zinc/81/11/08/1415811108.db2.gz FORMEGPZEUMTKD-FOIQADDNSA-N 0 0 385.489 3.148 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cc1 ZINC000178150138 1428999803 /nfs/dbraw/zinc/99/98/03/1428999803.db2.gz VDIWSEQDSAAFLC-OAHLLOKOSA-N 0 0 387.399 3.065 20 30 GGEDRN CC(C)COc1ncccc1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000127568019 1415811506 /nfs/dbraw/zinc/81/15/06/1415811506.db2.gz FUUQBQDVVCRMOU-UHFFFAOYSA-N 0 0 394.475 3.201 20 30 GGEDRN COc1ccccc1[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)c1ccco1 ZINC000127573837 1415811949 /nfs/dbraw/zinc/81/19/49/1415811949.db2.gz CPQMPPNCRMGFQJ-LJQANCHMSA-N 0 0 386.404 3.367 20 30 GGEDRN CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000178150345 1428999980 /nfs/dbraw/zinc/99/99/80/1428999980.db2.gz JOSUSECLFVODIC-UHFFFAOYSA-N 0 0 390.802 3.484 20 30 GGEDRN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CCCNC(=O)c2ccc(F)cc2F)c1 ZINC000127580230 1415813205 /nfs/dbraw/zinc/81/32/05/1415813205.db2.gz FGWMKAJRCAMTLR-KRWDZBQOSA-N 0 0 399.397 3.131 20 30 GGEDRN COC(=O)C1=C(C(=O)c2ccc(Cl)s2)[C@@H](c2cccs2)NC(=S)N1 ZINC000127585967 1415814272 /nfs/dbraw/zinc/81/42/72/1415814272.db2.gz ZITPBLWEBUOVIE-LLVKDONJSA-N 0 0 398.918 3.292 20 30 GGEDRN CCOc1cc(CCCNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)ccc1OC ZINC000127590314 1415815307 /nfs/dbraw/zinc/81/53/07/1415815307.db2.gz OIRMMBIRYXPJRV-MRXNPFEDSA-N 0 0 382.460 3.482 20 30 GGEDRN C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)c1noc(-c2ccccc2)n1 ZINC000178151295 1429000610 /nfs/dbraw/zinc/00/06/10/1429000610.db2.gz UVIIMYPWKCEBSG-CQSZACIVSA-N 0 0 377.404 3.199 20 30 GGEDRN CC[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 ZINC000127594952 1415815926 /nfs/dbraw/zinc/81/59/26/1415815926.db2.gz QULBASWZUQRFHL-HXUWFJFHSA-N 0 0 385.489 3.242 20 30 GGEDRN Cc1cc(C#N)ccc1S(=O)(=O)Oc1c(Br)cccc1[N+](=O)[O-] ZINC000178151071 1429000827 /nfs/dbraw/zinc/00/08/27/1429000827.db2.gz UVNLPUGVVUURFY-UHFFFAOYSA-N 0 0 397.206 3.305 20 30 GGEDRN C#CCOc1cccc(NC(=O)C(=O)Nc2ccc(C)c(OCC(F)F)c2)c1 ZINC000127601905 1415817334 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20 30 GGEDRN COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccn(-c3ccccc3Cl)n2)c1 ZINC000127649752 1415825766 /nfs/dbraw/zinc/82/57/66/1415825766.db2.gz XEICVLVEAYHIQO-HNNXBMFYSA-N 0 0 394.818 3.495 20 30 GGEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000127651799 1415826433 /nfs/dbraw/zinc/82/64/33/1415826433.db2.gz CEXWROZJZIHWOK-LEWJYISDSA-N 0 0 399.454 3.109 20 30 GGEDRN CCOC(=O)C1=C(C(=O)CC)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=S)N1 ZINC000127654963 1415826915 /nfs/dbraw/zinc/82/69/15/1415826915.db2.gz GLHOZPQBKVJFKQ-CYBMUJFWSA-N 0 0 386.395 3.021 20 30 GGEDRN CCOC(=O)C1=C(C(=O)CC)[C@H](c2ccccc2C(F)(F)F)NC(=S)N1 ZINC000127657535 1415827432 /nfs/dbraw/zinc/82/74/32/1415827432.db2.gz PNUGIYQEMCBNSF-ZDUSSCGKSA-N 0 0 386.395 3.021 20 30 GGEDRN CCOC(=O)C1=C(C(=O)CC)[C@@H](c2cc(Cl)cc(Cl)c2)NC(=S)N1 ZINC000127660763 1415828206 /nfs/dbraw/zinc/82/82/06/1415828206.db2.gz IVOTZBOTDCGMQZ-CYBMUJFWSA-N 0 0 387.288 3.309 20 30 GGEDRN C=CC(=O)NCc1ccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1 ZINC000127658905 1415828209 /nfs/dbraw/zinc/82/82/09/1415828209.db2.gz MQXDUUSYJZWLSQ-KRWDZBQOSA-N 0 0 398.260 3.246 20 30 GGEDRN CCOC(=O)C1=C(C(=O)C2CC2)[C@@H](c2cccc(Cl)c2Cl)NC(=S)N1 ZINC000127670627 1415830419 /nfs/dbraw/zinc/83/04/19/1415830419.db2.gz DYNLBTNFDBMILQ-CYBMUJFWSA-N 0 0 399.299 3.309 20 30 GGEDRN CCc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc3cccc(C)c3)CC2=O)cc1 ZINC000127677058 1415831234 /nfs/dbraw/zinc/83/12/34/1415831234.db2.gz XLDDJDOUYKCXEV-FXAWDEMLSA-N 0 0 389.455 3.258 20 30 GGEDRN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000127684117 1415832622 /nfs/dbraw/zinc/83/26/22/1415832622.db2.gz JJNJGXQVOFQEPN-ZWNOBZJWSA-N 0 0 382.258 3.043 20 30 GGEDRN CCc1ccccc1N1C[C@@H](C(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)CC1=O ZINC000127687997 1415833075 /nfs/dbraw/zinc/83/30/75/1415833075.db2.gz REJFBCLCHYIASQ-HKUYNNGSSA-N 0 0 389.455 3.258 20 30 GGEDRN C[C@@]1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCCS1 ZINC000127689925 1415833631 /nfs/dbraw/zinc/83/36/31/1415833631.db2.gz IFHWSVVJTFIXED-KXBFYZLASA-N 0 0 376.501 3.251 20 30 GGEDRN C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000127691814 1415834248 /nfs/dbraw/zinc/83/42/48/1415834248.db2.gz YLNFRKBQMTZQLM-INIZCTEOSA-N 0 0 388.508 3.275 20 30 GGEDRN CC(=O)c1c(C)cc(C)c(CS(=O)(=O)C[C@H](O)c2ccc(C#N)cc2)c1C ZINC000127704439 1415836086 /nfs/dbraw/zinc/83/60/86/1415836086.db2.gz UTEBOVRAFPULTR-FQEVSTJZSA-N 0 0 385.485 3.335 20 30 GGEDRN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[C@H](C#N)C(=O)Nc1cccc(C)c1 ZINC000127709926 1415837249 /nfs/dbraw/zinc/83/72/49/1415837249.db2.gz HFESCUNLZOGDDR-SFTDATJTSA-N 0 0 389.455 3.178 20 30 GGEDRN C=CCn1c2ncn(CC(=O)N(C)[C@@H](C)CC(C)C)c(=O)c2sc1=S ZINC000127717070 1415837812 /nfs/dbraw/zinc/83/78/12/1415837812.db2.gz UKJUBQWMHRJUFI-LBPRGKRZSA-N 0 0 380.539 3.068 20 30 GGEDRN C=CCn1c2ncn(CC(=O)N(C)CC3CCCCC3)c(=O)c2sc1=S ZINC000127716343 1415837957 /nfs/dbraw/zinc/83/79/57/1415837957.db2.gz IQUHWIKTIOYVSA-UHFFFAOYSA-N 0 0 392.550 3.214 20 30 GGEDRN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CCCNC(=O)NC2CCCCC2)c1 ZINC000127728785 1415840010 /nfs/dbraw/zinc/84/00/10/1415840010.db2.gz MYPWTASTTNRCLV-SFHVURJKSA-N 0 0 384.480 3.055 20 30 GGEDRN Cc1oc(-c2ccccc2)nc1CS(=O)(=O)C[C@@H](O)c1ccc(C#N)cc1 ZINC000127728993 1415840097 /nfs/dbraw/zinc/84/00/97/1415840097.db2.gz WOAUQFTUIFQVIV-LJQANCHMSA-N 0 0 382.441 3.170 20 30 GGEDRN Cc1cccc(NC(=O)[C@H](C#N)C(=O)CCCNC(=O)NC2CCCCC2)c1 ZINC000127728981 1415840202 /nfs/dbraw/zinc/84/02/02/1415840202.db2.gz MYPWTASTTNRCLV-GOSISDBHSA-N 0 0 384.480 3.055 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(OCCF)c1 ZINC000127748859 1415843559 /nfs/dbraw/zinc/84/35/59/1415843559.db2.gz QWJRXLLRGHARKD-UHFFFAOYSA-N 0 0 383.423 3.284 20 30 GGEDRN N#Cc1ccc([C@H](O)CS(=O)(=O)Cc2coc(-c3cccc(F)c3)n2)cc1 ZINC000127757258 1415845336 /nfs/dbraw/zinc/84/53/36/1415845336.db2.gz RNBSMYYFDFKUOI-GOSISDBHSA-N 0 0 386.404 3.001 20 30 GGEDRN N#C[C@H](NC(=O)c1cnn(-c2ccccc2)n1)c1cccc(Br)c1 ZINC000127776897 1415848320 /nfs/dbraw/zinc/84/83/20/1415848320.db2.gz RSQVUUNSBHUKQV-HNNXBMFYSA-N 0 0 382.221 3.024 20 30 GGEDRN C=CCOc1cc(OC)ccc1C(=O)N1CCN([C@H](C)c2cccnc2)CC1 ZINC000127779728 1415848791 /nfs/dbraw/zinc/84/87/91/1415848791.db2.gz QMYWTDMRAUXXKS-QGZVFWFLSA-N 0 0 381.476 3.174 20 30 GGEDRN N#Cc1ccc([C@@H](O)CS(=O)(=O)Cc2csc(-c3ccsc3)n2)cc1 ZINC000127799355 1415852926 /nfs/dbraw/zinc/85/29/26/1415852926.db2.gz VVWBYVKXALTTEC-INIZCTEOSA-N 0 0 390.511 3.392 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c1C ZINC000127813906 1415855292 /nfs/dbraw/zinc/85/52/92/1415855292.db2.gz LBTVFWPCOLTRDL-UHFFFAOYSA-N 0 0 394.406 3.206 20 30 GGEDRN Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)NC(C)C)cc2)c1 ZINC000127826617 1415858091 /nfs/dbraw/zinc/85/80/91/1415858091.db2.gz OEIKDKQJTXQQNF-GOSISDBHSA-N 0 0 378.432 3.486 20 30 GGEDRN CCS[C@@H](C)c1noc(CN(C)Cc2nnc(-c3ccc(C#N)cc3)o2)n1 ZINC000127843120 1415861502 /nfs/dbraw/zinc/86/15/02/1415861502.db2.gz OQCBCKCHQUVNTC-LBPRGKRZSA-N 0 0 384.465 3.437 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000127844845 1415861975 /nfs/dbraw/zinc/86/19/75/1415861975.db2.gz URQBLYHIQLUXRJ-UHFFFAOYSA-N 0 0 385.489 3.426 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)N[C@H](C)C3CCC3)c(C#N)c2N)cc1 ZINC000127872621 1415867316 /nfs/dbraw/zinc/86/73/16/1415867316.db2.gz RSYNPLQSTTXTLN-OAHLLOKOSA-N 0 0 380.496 3.055 20 30 GGEDRN CCc1ccc([C@@]2(CC)NC(=O)N(C[C@@H](O)c3ccc(C#N)cc3)C2=O)cc1 ZINC000127895181 1415871212 /nfs/dbraw/zinc/87/12/12/1415871212.db2.gz ICIKQXAWCBVRER-DENIHFKCSA-N 0 0 377.444 3.011 20 30 GGEDRN Cc1ccc(NC(=O)C2(C#N)CCC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000127925659 1415876518 /nfs/dbraw/zinc/87/65/18/1415876518.db2.gz REYPFPMNAROZLQ-UHFFFAOYSA-N 0 0 375.494 3.192 20 30 GGEDRN CC(C)(C)OC(=O)[C@@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccccc1 ZINC000127939837 1415879402 /nfs/dbraw/zinc/87/94/02/1415879402.db2.gz AZRNLZONBGPIIU-FQEVSTJZSA-N 0 0 380.444 3.331 20 30 GGEDRN N#CC1(NC(=O)Cc2cccc(OCCCOc3ccccc3)c2)CCOCC1 ZINC000127941411 1415879469 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CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000128006224 1415892129 /nfs/dbraw/zinc/89/21/29/1415892129.db2.gz IGDFWFKTJMOFGP-UHFFFAOYSA-N 0 0 390.365 3.349 20 30 GGEDRN CC(C)CC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000128016008 1415893852 /nfs/dbraw/zinc/89/38/52/1415893852.db2.gz GJUSXRJGLFTYAM-SFHVURJKSA-N 0 0 391.537 3.309 20 30 GGEDRN C#CCN(C(=O)C(=O)Nc1cc(C(=O)OC(C)C)ccc1Cl)C1CCCC1 ZINC000128052477 1415901758 /nfs/dbraw/zinc/90/17/58/1415901758.db2.gz XYKMBPVSJDAZAT-UHFFFAOYSA-N 0 0 390.867 3.248 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1OC ZINC000128054460 1415901792 /nfs/dbraw/zinc/90/17/92/1415901792.db2.gz OJWZAHHWNTWVKX-LNNOPRTKSA-N 0 0 385.382 3.187 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000128057518 1415902548 /nfs/dbraw/zinc/90/25/48/1415902548.db2.gz YVNNQMYBRZWVJG-HNNXBMFYSA-N 0 0 383.414 3.019 20 30 GGEDRN N#Cc1cccnc1NCCOC(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000128068644 1415905293 /nfs/dbraw/zinc/90/52/93/1415905293.db2.gz OTICMJWRVKLSQP-UHFFFAOYSA-N 0 0 384.823 3.002 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC000128087748 1415909275 /nfs/dbraw/zinc/90/92/75/1415909275.db2.gz MVCZEDFXNDZWGM-ZDUSSCGKSA-N 0 0 398.850 3.339 20 30 GGEDRN CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000128087497 1415909320 /nfs/dbraw/zinc/90/93/20/1415909320.db2.gz PMXJZMGNTGURQL-CQSZACIVSA-N 0 0 380.379 3.381 20 30 GGEDRN CC(C)Cn1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)c2ccccc2c1=O ZINC000128096846 1415911930 /nfs/dbraw/zinc/91/19/30/1415911930.db2.gz HVQVGWPALITEQU-SFHVURJKSA-N 0 0 388.427 3.014 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000128098655 1415912114 /nfs/dbraw/zinc/91/21/14/1415912114.db2.gz YHCFSVDEVTYEAJ-AWEZNQCLSA-N 0 0 380.379 3.237 20 30 GGEDRN CN(C)S(=O)(=O)c1cccc(C(=O)/C=C/c2c(Cl)nc3ccccn23)c1 ZINC000128101682 1415913271 /nfs/dbraw/zinc/91/32/71/1415913271.db2.gz LBHODBXSRGYUTA-MDZDMXLPSA-N 0 0 389.864 3.134 20 30 GGEDRN C[C@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)cc2)C[C@H](C)O1 ZINC000128111454 1415914703 /nfs/dbraw/zinc/91/47/03/1415914703.db2.gz FFGORCILVXYGSD-GJZGRUSLSA-N 0 0 394.431 3.328 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000128111433 1415914816 /nfs/dbraw/zinc/91/48/16/1415914816.db2.gz UDVHUGJOXUFMSM-GJZGRUSLSA-N 0 0 389.487 3.220 20 30 GGEDRN CNS(=O)(=O)c1cccc(C(=O)/C=C/c2cc(Br)cs2)c1 ZINC000128109999 1415914937 /nfs/dbraw/zinc/91/49/37/1415914937.db2.gz MFJNHTJUYXKHCW-AATRIKPKSA-N 0 0 386.292 3.315 20 30 GGEDRN N#C[C@@H](C(=O)Nc1ccccc1)C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000128114529 1415916269 /nfs/dbraw/zinc/91/62/69/1415916269.db2.gz IFGVDFSLWCHOME-UKRRQHHQSA-N 0 0 381.819 3.040 20 30 GGEDRN CCC1(CO)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000128123827 1415918269 /nfs/dbraw/zinc/91/82/69/1415918269.db2.gz AHGRKYPXBPMNFX-UHFFFAOYSA-N 0 0 398.507 3.041 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)Nc1cccc(-n2ccnn2)c1 ZINC000178242232 1429029353 /nfs/dbraw/zinc/02/93/53/1429029353.db2.gz QKPZGXCDQDROEA-UHFFFAOYSA-N 0 0 378.461 3.194 20 30 GGEDRN N#Cc1cc(F)c(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)c(F)c1 ZINC000128131374 1415920773 /nfs/dbraw/zinc/92/07/73/1415920773.db2.gz MMOTXZCXVZVNRV-LLVKDONJSA-N 0 0 377.341 3.371 20 30 GGEDRN N#C[C@H](C(=O)Nc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000128139352 1415922711 /nfs/dbraw/zinc/92/27/11/1415922711.db2.gz VKXHCNBFCLKEAV-APWZRJJASA-N 0 0 393.418 3.025 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000128147266 1415924885 /nfs/dbraw/zinc/92/48/85/1415924885.db2.gz HMICYMJEDLSPOA-FQEVSTJZSA-N 0 0 390.443 3.469 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NCCCc2nc3ccccc3[nH]2)c1 ZINC000128151420 1415925938 /nfs/dbraw/zinc/92/59/38/1415925938.db2.gz WHFWAYJJVITSBP-UHFFFAOYSA-N 0 0 392.459 3.205 20 30 GGEDRN COc1ccc(-c2noc(CCC(=O)[C@@H](C#N)C(=O)Nc3ccccc3)n2)cc1 ZINC000128155016 1415927057 /nfs/dbraw/zinc/92/70/57/1415927057.db2.gz VDCDZMWRRKGBMV-QGZVFWFLSA-N 0 0 390.399 3.025 20 30 GGEDRN CCC1(CO)CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000128156525 1415927657 /nfs/dbraw/zinc/92/76/57/1415927657.db2.gz KXYSBMZFKVAJNT-MRXNPFEDSA-N 0 0 375.538 3.361 20 30 GGEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCOC3(CCC3)C2)cc1C ZINC000128178066 1415931937 /nfs/dbraw/zinc/93/19/37/1415931937.db2.gz CCJGRSQTZZVLTN-UHFFFAOYSA-N 0 0 378.476 3.476 20 30 GGEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000128182264 1415932653 /nfs/dbraw/zinc/93/26/53/1415932653.db2.gz ZWDZRSZFTBSCJN-LJQANCHMSA-N 0 0 390.443 3.135 20 30 GGEDRN C#Cc1cccc(NC(=O)N2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000128191630 1415935333 /nfs/dbraw/zinc/93/53/33/1415935333.db2.gz MYPYVRMBLUWNFL-QGZVFWFLSA-N 0 0 387.361 3.392 20 30 GGEDRN N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000128207859 1415939505 /nfs/dbraw/zinc/93/95/05/1415939505.db2.gz FHFXKNUECYIBMT-MRXNPFEDSA-N 0 0 388.402 3.461 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)cc1C#N ZINC000128213015 1415940340 /nfs/dbraw/zinc/94/03/40/1415940340.db2.gz OQKXQJZIAJRUQA-IBGZPJMESA-N 0 0 390.443 3.445 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000128211068 1415940363 /nfs/dbraw/zinc/94/03/63/1415940363.db2.gz BYSACYYGZNXCET-IBGZPJMESA-N 0 0 379.460 3.193 20 30 GGEDRN CC[C@H](CC#N)NC(=O)C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC000128214878 1415941417 /nfs/dbraw/zinc/94/14/17/1415941417.db2.gz XGBXADGWXZIUPB-SNVBAGLBSA-N 0 0 394.403 3.158 20 30 GGEDRN N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)cc2)c1 ZINC000178220697 1429021457 /nfs/dbraw/zinc/02/14/57/1429021457.db2.gz SOJYOFSTMGTQHR-OAHLLOKOSA-N 0 0 387.399 3.065 20 30 GGEDRN CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000128231398 1415944225 /nfs/dbraw/zinc/94/42/25/1415944225.db2.gz JVXVWJPPVRWPDH-GOSISDBHSA-N 0 0 378.432 3.135 20 30 GGEDRN N#CCN(C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C1CCCC1 ZINC000128247373 1415947492 /nfs/dbraw/zinc/94/74/92/1415947492.db2.gz MMSMETWCNRJZRR-UHFFFAOYSA-N 0 0 397.500 3.073 20 30 GGEDRN C#CCN(C(=O)C(=O)Nc1ccc(Cl)c(Br)c1)C1CCCC1 ZINC000128252970 1415948537 /nfs/dbraw/zinc/94/85/37/1415948537.db2.gz KXNWUYFFXUXGFH-UHFFFAOYSA-N 0 0 383.673 3.445 20 30 GGEDRN COc1cc(C#N)cc(Cl)c1OCC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000178223235 1429021991 /nfs/dbraw/zinc/02/19/91/1429021991.db2.gz GBYVWFCNOIPJEK-CJNGLKHVSA-N 0 0 380.872 3.311 20 30 GGEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1noc(-c2ccccc2)n1 ZINC000128266282 1415951270 /nfs/dbraw/zinc/95/12/70/1415951270.db2.gz XKOXTXPHUWRJHL-NSHDSACASA-N 0 0 388.836 3.301 20 30 GGEDRN C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000128274881 1415952336 /nfs/dbraw/zinc/95/23/36/1415952336.db2.gz XDTVUKKKRDNRJG-QGZVFWFLSA-N 0 0 398.434 3.147 20 30 GGEDRN Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000128278333 1415952754 /nfs/dbraw/zinc/95/27/54/1415952754.db2.gz LBNQYOMDSCXVFE-KRWDZBQOSA-N 0 0 381.480 3.108 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000128282649 1415954208 /nfs/dbraw/zinc/95/42/08/1415954208.db2.gz ORUKACAVOZTEOZ-SFHVURJKSA-N 0 0 390.443 3.079 20 30 GGEDRN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN(CC(F)(F)F)[C@H](C)C2)cc1 ZINC000128282757 1415954257 /nfs/dbraw/zinc/95/42/57/1415954257.db2.gz MZMLRWGQKPDBLV-IAGOWNOFSA-N 0 0 396.457 3.199 20 30 GGEDRN Cc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c(C)n1C1CC1 ZINC000128287412 1415954950 /nfs/dbraw/zinc/95/49/50/1415954950.db2.gz BBHHLBCZMQZZJA-LJQANCHMSA-N 0 0 394.500 3.465 20 30 GGEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccccc1 ZINC000128286649 1415954988 /nfs/dbraw/zinc/95/49/88/1415954988.db2.gz LFMDPPLAHPFIQU-GOSISDBHSA-N 0 0 390.443 3.061 20 30 GGEDRN CCOC(=O)C[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccc(F)cc1 ZINC000128305777 1415959304 /nfs/dbraw/zinc/95/93/04/1415959304.db2.gz HLMOLNSGIGCUJS-INIZCTEOSA-N 0 0 376.334 3.400 20 30 GGEDRN N#CCC[C@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000128306545 1415959437 /nfs/dbraw/zinc/95/94/37/1415959437.db2.gz XGBYUKXXYJOCEW-HNNXBMFYSA-N 0 0 386.795 3.348 20 30 GGEDRN CCN(C(=O)[C@@H](C)ON=C(N)c1ccc(NC(C)(C)C)cn1)c1ccccc1 ZINC000128314317 1415960707 /nfs/dbraw/zinc/96/07/07/1415960707.db2.gz GGTSWMWMJPTZJB-OAHLLOKOSA-N 0 0 383.496 3.371 20 30 GGEDRN CC(=O)Nc1cc(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)ccc1Cl ZINC000128318074 1415961319 /nfs/dbraw/zinc/96/13/19/1415961319.db2.gz VTPZDMQMCMZSQQ-QGZVFWFLSA-N 0 0 398.850 3.398 20 30 GGEDRN C=CCSc1ccccc1NC(=O)CN1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000128317499 1415961324 /nfs/dbraw/zinc/96/13/24/1415961324.db2.gz OPQWWXHZRNROHN-AWEZNQCLSA-N 0 0 387.471 3.472 20 30 GGEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1 ZINC000128323916 1415962622 /nfs/dbraw/zinc/96/26/22/1415962622.db2.gz WKYWOVYKIPZPEP-LJQANCHMSA-N 0 0 390.443 3.135 20 30 GGEDRN C[C@@H](ON=C(N)c1ccc(NC(C)(C)C)cn1)C(=O)Nc1ccc(F)cc1F ZINC000128325615 1415963227 /nfs/dbraw/zinc/96/32/27/1415963227.db2.gz CLLCRJNFKQJGQD-LLVKDONJSA-N 0 0 391.422 3.234 20 30 GGEDRN C[C@H]1CCc2c(sc3nc(CCC(=O)N(CC#N)C4CCCC4)[nH]c(=O)c32)C1 ZINC000128326492 1415963257 /nfs/dbraw/zinc/96/32/57/1415963257.db2.gz LRRQKPFAEWBNCK-ZDUSSCGKSA-N 0 0 398.532 3.337 20 30 GGEDRN CC(C)CO[C@H](C)c1noc(CON=C(N)c2ccc(NC(C)(C)C)cn2)n1 ZINC000128333260 1415964749 /nfs/dbraw/zinc/96/47/49/1415964749.db2.gz JSNJHZFBCCOXLE-CYBMUJFWSA-N 0 0 390.488 3.246 20 30 GGEDRN COc1ccccc1-c1nnc(CON=C(N)c2ccc(NC(C)(C)C)cn2)o1 ZINC000128334913 1415964755 /nfs/dbraw/zinc/96/47/55/1415964755.db2.gz LRDAQLBICSUXML-UHFFFAOYSA-N 0 0 396.451 3.188 20 30 GGEDRN C=CCNc1ncc(C(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000128351697 1415968693 /nfs/dbraw/zinc/96/86/93/1415968693.db2.gz KKAAVRUHSMRBPX-LBPRGKRZSA-N 0 0 387.383 3.103 20 30 GGEDRN C=CCNc1ncc(C(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000128351895 1415968697 /nfs/dbraw/zinc/96/86/97/1415968697.db2.gz KKAAVRUHSMRBPX-GFCCVEGCSA-N 0 0 387.383 3.103 20 30 GGEDRN C=CCn1c(N)nnc1SCC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000128352884 1415968976 /nfs/dbraw/zinc/96/89/76/1415968976.db2.gz JDMUGNOOSINVGT-UHFFFAOYSA-N 0 0 377.489 3.105 20 30 GGEDRN CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)c1 ZINC000128358510 1415970872 /nfs/dbraw/zinc/97/08/72/1415970872.db2.gz NVKARZJLVMLELR-GOSISDBHSA-N 0 0 378.432 3.053 20 30 GGEDRN CS(=O)(=O)c1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000128366642 1415972021 /nfs/dbraw/zinc/97/20/21/1415972021.db2.gz DBLLBEXIWOKZQG-UHFFFAOYSA-N 0 0 396.424 3.386 20 30 GGEDRN Cc1ccccc1CN(C)C(=O)[C@@H](C)ON=C(N)c1ccc(NC(C)(C)C)cn1 ZINC000128371167 1415973384 /nfs/dbraw/zinc/97/33/84/1415973384.db2.gz GGDDZPSVXSYENO-MRXNPFEDSA-N 0 0 397.523 3.284 20 30 GGEDRN COc1ccc(-c2nnc(CON=C(N)c3ccc(NC(C)(C)C)cn3)o2)cc1 ZINC000128396828 1415978681 /nfs/dbraw/zinc/97/86/81/1415978681.db2.gz RYXHHLIAXDLCRI-UHFFFAOYSA-N 0 0 396.451 3.188 20 30 GGEDRN N#Cc1ccccc1OCC(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1 ZINC000128411724 1415981496 /nfs/dbraw/zinc/98/14/96/1415981496.db2.gz ZIIRCEVCFLAVIW-UHFFFAOYSA-N 0 0 383.835 3.369 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000128457600 1415991664 /nfs/dbraw/zinc/99/16/64/1415991664.db2.gz CAOBBENIXUNJEG-SFHVURJKSA-N 0 0 390.443 3.193 20 30 GGEDRN C=CCNc1ncc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 ZINC000128459392 1415992129 /nfs/dbraw/zinc/99/21/29/1415992129.db2.gz JYCYIYHDXMGPRM-CYBMUJFWSA-N 0 0 380.514 3.118 20 30 GGEDRN C=CCNc1ncc(C(=O)NCCc2ccc(OC)c(OC(F)F)c2)s1 ZINC000128465076 1415993505 /nfs/dbraw/zinc/99/35/05/1415993505.db2.gz QKQXCKKUJZAPMP-UHFFFAOYSA-N 0 0 383.420 3.324 20 30 GGEDRN CCC(CC)(CNC(=O)c1occc1COc1cccc(C#N)c1)C(=O)OC ZINC000128468679 1415994330 /nfs/dbraw/zinc/99/43/30/1415994330.db2.gz QIFPGROWNTYAPH-UHFFFAOYSA-N 0 0 384.432 3.439 20 30 GGEDRN O=[N+]([O-])c1cc(Cl)cc(/C=N/C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1[O-] ZINC000128475029 1415995347 /nfs/dbraw/zinc/99/53/47/1415995347.db2.gz PZXGLKDKXFLACW-HVAXUPDISA-N 0 0 381.860 3.141 20 30 GGEDRN Cc1ccc(/C=C/C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)c1 ZINC000128481857 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CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000128522346 1416005308 /nfs/dbraw/zinc/00/53/08/1416005308.db2.gz IJZZHRJXGHGZSM-HNNXBMFYSA-N 0 0 376.416 3.166 20 30 GGEDRN CCCC(=O)N1CCC[C@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000128543265 1416009583 /nfs/dbraw/zinc/00/95/83/1416009583.db2.gz HRDYFJDFMYMBDQ-KRWDZBQOSA-N 0 0 382.489 3.335 20 30 GGEDRN COc1cccc(CN(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]2CCCO2)c1 ZINC000128566674 1416014905 /nfs/dbraw/zinc/01/49/05/1416014905.db2.gz HTNJTSPZVUCRIK-IBGZPJMESA-N 0 0 397.475 3.396 20 30 GGEDRN C#CCNC(=O)[C@H](C)S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000128570409 1416016518 /nfs/dbraw/zinc/01/65/18/1416016518.db2.gz VKWRSEVWVSSFTF-QWRGUYRKSA-N 0 0 387.486 3.177 20 30 GGEDRN CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3ccc(C#N)[nH]3)n2)cc1 ZINC000128579173 1416017748 /nfs/dbraw/zinc/01/77/48/1416017748.db2.gz SDTNCDKQJNBUHR-UHFFFAOYSA-N 0 0 393.472 3.331 20 30 GGEDRN CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000128590684 1416020759 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381.407 3.071 20 30 GGEDRN CCOC(=O)c1sc2ncn(CCCOc3cccc(C#N)c3)c(=O)c2c1C ZINC000128706581 1416047390 /nfs/dbraw/zinc/04/73/90/1416047390.db2.gz LESZBJYLYACWLY-UHFFFAOYSA-N 0 0 397.456 3.284 20 30 GGEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2(C)CCCCC2)c1 ZINC000128715814 1416049563 /nfs/dbraw/zinc/04/95/63/1416049563.db2.gz NXMAVRPXAZAODG-HEHNFIMWSA-N 0 0 377.510 3.408 20 30 GGEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)C[C@H]2CCC[C@@H]2O)cc1C ZINC000128723625 1416051195 /nfs/dbraw/zinc/05/11/95/1416051195.db2.gz KEZMJUCWCCJQAY-QUCCMNQESA-N 0 0 380.492 3.314 20 30 GGEDRN COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](Nc2ccc(CC#N)cc2)C1=O ZINC000128725792 1416051640 /nfs/dbraw/zinc/05/16/40/1416051640.db2.gz NAPCCWMBTGHHLC-MRXNPFEDSA-N 0 0 383.835 3.467 20 30 GGEDRN N#Cc1ccc(CSCC(=O)N(Cc2ccncc2)C[C@H]2CCCO2)cc1 ZINC000128727848 1416052395 /nfs/dbraw/zinc/05/23/95/1416052395.db2.gz MKKYCKKLKGUKTP-HXUWFJFHSA-N 0 0 381.501 3.394 20 30 GGEDRN CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000128744572 1416057658 /nfs/dbraw/zinc/05/76/58/1416057658.db2.gz ISMNCMDNCIHXHP-JXFKEZNVSA-N 0 0 399.516 3.081 20 30 GGEDRN C[C@@H](NC(=O)c1cccs1)C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc21 ZINC000128751606 1416058867 /nfs/dbraw/zinc/05/88/67/1416058867.db2.gz OLAXAGIKEGTSTI-CZUORRHYSA-N 0 0 391.452 3.367 20 30 GGEDRN CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000128755342 1416059655 /nfs/dbraw/zinc/05/96/55/1416059655.db2.gz RHCMXIGBKGZIIJ-OXQOHEQNSA-N 0 0 399.516 3.081 20 30 GGEDRN CCOc1ccc(C#N)cc1NCC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000178331659 1429053495 /nfs/dbraw/zinc/05/34/95/1429053495.db2.gz RRWJUXVKIOMKMC-UHFFFAOYSA-N 0 0 378.432 3.134 20 30 GGEDRN N#Cc1cccc(Cn2cnc3c(cnn3Cc3ccc(Cl)cc3)c2=O)c1 ZINC000178333313 1429053549 /nfs/dbraw/zinc/05/35/49/1429053549.db2.gz KFODALFPJPPGPJ-UHFFFAOYSA-N 0 0 375.819 3.215 20 30 GGEDRN CCOc1ccc(C#N)cc1NCC(=O)NCc1ccc(OC(F)F)cc1 ZINC000178331937 1429053788 /nfs/dbraw/zinc/05/37/88/1429053788.db2.gz XOSSHOWLDVUVQY-UHFFFAOYSA-N 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ZINC000128829769 1416079349 /nfs/dbraw/zinc/07/93/49/1416079349.db2.gz DOUSXXMIDOZIOA-LJQANCHMSA-N 0 0 390.830 3.451 20 30 GGEDRN C=CCNc1ncc(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)s1 ZINC000128836458 1416081655 /nfs/dbraw/zinc/08/16/55/1416081655.db2.gz LYKDPUXZNSMNML-AWEZNQCLSA-N 0 0 390.896 3.272 20 30 GGEDRN N#CCCN(C(=O)CSc1nc(N)c(C#N)cc1C#N)c1cccc(Cl)c1 ZINC000128847116 1416083571 /nfs/dbraw/zinc/08/35/71/1416083571.db2.gz XESMYXUNYKMVLH-UHFFFAOYSA-N 0 0 396.863 3.100 20 30 GGEDRN COc1ccc(CCC2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000128851326 1416084978 /nfs/dbraw/zinc/08/49/78/1416084978.db2.gz NUCLCCPSSNOPLR-UHFFFAOYSA-N 0 0 391.471 3.377 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NCc2cnn(-c3ccccc3)c2)cc1 ZINC000178294725 1429044723 /nfs/dbraw/zinc/04/47/23/1429044723.db2.gz ZZWAGKSBBFTFET-UHFFFAOYSA-N 0 0 382.489 3.291 20 30 GGEDRN N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2COc3ccccc3C2=O)o1 ZINC000128863968 1416087444 /nfs/dbraw/zinc/08/74/44/1416087444.db2.gz KGCLPYGGKPTDEC-QGZVFWFLSA-N 0 0 388.379 3.104 20 30 GGEDRN CN(CC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)C(=O)c1cccs1 ZINC000128873950 1416089890 /nfs/dbraw/zinc/08/98/90/1416089890.db2.gz PVRQNHDMUPCFCB-CYBMUJFWSA-N 0 0 382.470 3.215 20 30 GGEDRN C=CCn1c(S[C@H](C(=O)OCC)c2ccccc2)nnc1-c1cnccn1 ZINC000178300333 1429046405 /nfs/dbraw/zinc/04/64/05/1429046405.db2.gz FSDDSKMSHYCAGU-INIZCTEOSA-N 0 0 381.461 3.318 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)Cc2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000178308227 1429048233 /nfs/dbraw/zinc/04/82/33/1429048233.db2.gz IHVCUJVWWFZCHZ-UHFFFAOYSA-N 0 0 378.407 3.236 20 30 GGEDRN C=CCNc1ncc(C(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)s1 ZINC000128926827 1416104490 /nfs/dbraw/zinc/10/44/90/1416104490.db2.gz BDDAWJQOECDAMX-AWEZNQCLSA-N 0 0 386.477 3.361 20 30 GGEDRN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)COc1ccc2c(c1)CCC2 ZINC000128928799 1416105961 /nfs/dbraw/zinc/10/59/61/1416105961.db2.gz RPFBPTDLQTZUNN-GOSISDBHSA-N 0 0 378.428 3.300 20 30 GGEDRN COc1cc(Br)c(/C=C2/CCc3c(cnn3C)C2=O)c(OC)c1 ZINC000128944736 1416109698 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C=CCc1cc(CNC(=O)N2CCc3ccccc3[C@@H]2CO)cc(OC)c1OC ZINC000129052032 1416133898 /nfs/dbraw/zinc/13/38/98/1416133898.db2.gz NRPYPFVQMYICLV-FQEVSTJZSA-N 0 0 396.487 3.234 20 30 GGEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2=CCCCCC2)c1 ZINC000129074161 1416139051 /nfs/dbraw/zinc/13/90/51/1416139051.db2.gz JSICRGHAOZHOFC-DYTRJAOYSA-N 0 0 375.494 3.328 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000178377293 1429065179 /nfs/dbraw/zinc/06/51/79/1429065179.db2.gz COOARJHWVQTFQS-UHFFFAOYSA-N 0 0 383.473 3.340 20 30 GGEDRN COc1ccc(-c2noc(CN(CCC#N)Cc3ccccn3)n2)c(OC)c1 ZINC000178381761 1429065483 /nfs/dbraw/zinc/06/54/83/1429065483.db2.gz FRMIXXKZJQTDQN-UHFFFAOYSA-N 0 0 379.420 3.065 20 30 GGEDRN CCOc1ccc(NC(=O)CN(CCC#N)Cc2ccccn2)cc1OCC ZINC000178382541 1429066321 /nfs/dbraw/zinc/06/63/21/1429066321.db2.gz CXOBTSOWVIQWLZ-UHFFFAOYSA-N 0 0 382.464 3.233 20 30 GGEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H]([C@@H](C)O)C2)cc1C ZINC000129107225 1416146541 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C=CCn1c(SCc2nc3ccccc3c(=O)n2C)nnc1-c1cccnc1 ZINC000129121518 1416150257 /nfs/dbraw/zinc/15/02/57/1416150257.db2.gz XOSBNDVTHGTYFO-UHFFFAOYSA-N 0 0 390.472 3.065 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C#N)c3C)C2)cc1 ZINC000178389848 1429067638 /nfs/dbraw/zinc/06/76/38/1429067638.db2.gz YSTFQZSPSADGGR-SFHVURJKSA-N 0 0 397.500 3.215 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000178394729 1429069021 /nfs/dbraw/zinc/06/90/21/1429069021.db2.gz VNBWTZVPZSBLQQ-UHFFFAOYSA-N 0 0 394.416 3.307 20 30 GGEDRN NC(=NOCc1cc(-c2cccs2)on1)c1cccc(CN2CCOCC2)c1 ZINC000129168636 1416161373 /nfs/dbraw/zinc/16/13/73/1416161373.db2.gz WJLKELQJHMOACQ-UHFFFAOYSA-N 0 0 398.488 3.072 20 30 GGEDRN CN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C1CC1 ZINC000129170837 1416162292 /nfs/dbraw/zinc/16/22/92/1416162292.db2.gz RHQBIALTTQDEQR-UHFFFAOYSA-N 0 0 383.835 3.350 20 30 GGEDRN N#CCCSc1ccccc1NC(=O)C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000129180822 1416164225 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C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000129444008 1416210426 /nfs/dbraw/zinc/21/04/26/1416210426.db2.gz ZLEKOHKOFGDWOJ-SJORKVTESA-N 0 0 388.537 3.267 20 30 GGEDRN C=CCC(CC=C)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000129447290 1416211084 /nfs/dbraw/zinc/21/10/84/1416211084.db2.gz SFELBNPKOJJXHX-UHFFFAOYSA-N 0 0 376.522 3.246 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000129455287 1416212441 /nfs/dbraw/zinc/21/24/41/1416212441.db2.gz BWAKUEYMHSLLJE-IAGOWNOFSA-N 0 0 388.537 3.409 20 30 GGEDRN Cc1ccsc1CCCC(=O)[C@@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000129454899 1416212483 /nfs/dbraw/zinc/21/24/83/1416212483.db2.gz JZXZBFWBQWUMJD-OAHLLOKOSA-N 0 0 384.457 3.498 20 30 GGEDRN Cc1cccc(S(=O)(=O)NCc2cccc(COCC(F)(F)F)c2)c1C#N ZINC000129467112 1416214261 /nfs/dbraw/zinc/21/42/61/1416214261.db2.gz AIWXXFMQKZHSJR-UHFFFAOYSA-N 0 0 398.406 3.424 20 30 GGEDRN C=CCNc1ncc(C(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)s1 ZINC000129476788 1416215882 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Cn1c(COc2ccccc2)nnc1SCCC(=O)Nc1cccc(C#N)c1 ZINC000178442391 1429078106 /nfs/dbraw/zinc/07/81/06/1429078106.db2.gz HPKPDTLXFSOQGP-UHFFFAOYSA-N 0 0 393.472 3.387 20 30 GGEDRN C[C@H](NC(=O)c1ccccc1NC(=O)CN(C)[C@@H](C)CC#N)c1ccccc1 ZINC000129546321 1416225798 /nfs/dbraw/zinc/22/57/98/1416225798.db2.gz YNAKDODVZMEIDU-IRXDYDNUSA-N 0 0 378.476 3.350 20 30 GGEDRN C=CCNC(=O)[C@@H](C)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 ZINC000129561810 1416228958 /nfs/dbraw/zinc/22/89/58/1416228958.db2.gz DDBAXDNUDASLIW-QGZVFWFLSA-N 0 0 377.488 3.311 20 30 GGEDRN C=CCNc1ncc(C(=O)NCCC(=O)Nc2cc(Cl)ccc2OC)s1 ZINC000129578543 1416231753 /nfs/dbraw/zinc/23/17/53/1416231753.db2.gz LKFCMEJBZVAIFR-UHFFFAOYSA-N 0 0 394.884 3.162 20 30 GGEDRN CCNC(=O)c1ccc(CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cc1 ZINC000129583755 1416232767 /nfs/dbraw/zinc/23/27/67/1416232767.db2.gz OZYLLXSANHLQQC-FQEVSTJZSA-N 0 0 379.460 3.028 20 30 GGEDRN C=CCNc1ncc(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)s1 ZINC000129622601 1416238617 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CCOc1cccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000129654449 1416243775 /nfs/dbraw/zinc/24/37/75/1416243775.db2.gz UDJLFGUNVLBHDL-UHFFFAOYSA-N 0 0 379.464 3.092 20 30 GGEDRN C=CCNc1ncc(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)s1 ZINC000129712193 1416252425 /nfs/dbraw/zinc/25/24/25/1416252425.db2.gz DWQOATRRGGZAIH-OAHLLOKOSA-N 0 0 396.516 3.498 20 30 GGEDRN N#Cc1cnc2ccccc2c1N1CCN(C(=O)Cc2cccc(F)c2F)CC1 ZINC000129725866 1416254155 /nfs/dbraw/zinc/25/41/55/1416254155.db2.gz JALWTULRIUKHFY-UHFFFAOYSA-N 0 0 392.409 3.276 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)Nc2cccc(COCc3ccco3)c2)cc1 ZINC000129735692 1416255555 /nfs/dbraw/zinc/25/55/55/1416255555.db2.gz MAJHKSUNZMKLFD-UHFFFAOYSA-N 0 0 375.384 3.445 20 30 GGEDRN CC(C)[C@](C)(C#N)NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000129736467 1416255973 /nfs/dbraw/zinc/25/59/73/1416255973.db2.gz KPKNOBUGALWDCU-XOBRGWDASA-N 0 0 393.434 3.195 20 30 GGEDRN COCCCCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C#N)c1C ZINC000178451180 1429080780 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C#Cc1cccc(NC(=O)CN(C)C(=O)CCc2ccc(OC(F)F)cc2)c1 ZINC000129893047 1416280742 /nfs/dbraw/zinc/28/07/42/1416280742.db2.gz MPIFPERRANVPGL-UHFFFAOYSA-N 0 0 386.398 3.299 20 30 GGEDRN COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 ZINC000129892513 1416280778 /nfs/dbraw/zinc/28/07/78/1416280778.db2.gz KIMXQJRFVSGDEA-UHFFFAOYSA-N 0 0 386.473 3.045 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc3c(cccc3OC(F)F)[nH]2)c1 ZINC000129895062 1416281320 /nfs/dbraw/zinc/28/13/20/1416281320.db2.gz QFUYYVGMLHHGRH-UHFFFAOYSA-N 0 0 397.381 3.461 20 30 GGEDRN CCCCCCC(=O)[C@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000129901156 1416282163 /nfs/dbraw/zinc/28/21/63/1416282163.db2.gz SVCBVFWCBFGBJX-SFHVURJKSA-N 0 0 381.480 3.251 20 30 GGEDRN COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2nc(C)no2)cc1 ZINC000129907587 1416283108 /nfs/dbraw/zinc/28/31/08/1416283108.db2.gz DCZVCADZCJSPGA-HNNXBMFYSA-N 0 0 376.372 3.015 20 30 GGEDRN COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cnn(-c2ccccc2F)c1C ZINC000129907153 1416283112 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GGEDRN N#CCCn1ccc(NC(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1 ZINC000130058187 1416309748 /nfs/dbraw/zinc/30/97/48/1416309748.db2.gz UZZSGBFEYNVCQE-HNNXBMFYSA-N 0 0 391.378 3.004 20 30 GGEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(Cl)c(Cl)n2C)cc1OC ZINC000130066384 1416311098 /nfs/dbraw/zinc/31/10/98/1416311098.db2.gz DAVAPWUVZPRMLN-JTQLQIEISA-N 0 0 396.230 3.310 20 30 GGEDRN N#CCOc1cccc(CC(=O)N(Cc2ccccc2)CC2(O)CCCC2)c1 ZINC000130068711 1416311785 /nfs/dbraw/zinc/31/17/85/1416311785.db2.gz KCBRQAVGJFFYBP-UHFFFAOYSA-N 0 0 378.472 3.465 20 30 GGEDRN Cc1cc(C)cc(Oc2ccc(CNC(=O)Cn3cnc(C#N)n3)cc2C)c1 ZINC000178471570 1429085546 /nfs/dbraw/zinc/08/55/46/1429085546.db2.gz NNQQYBBEHYBADN-UHFFFAOYSA-N 0 0 375.432 3.184 20 30 GGEDRN CN1c2ccc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2CCC1=O ZINC000130073909 1416312981 /nfs/dbraw/zinc/31/29/81/1416312981.db2.gz CHKNSVWORADVAQ-UHFFFAOYSA-N 0 0 389.455 3.151 20 30 GGEDRN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000130092250 1416316366 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384.863 3.380 20 30 GGEDRN N#CCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000130508243 1416390655 /nfs/dbraw/zinc/39/06/55/1416390655.db2.gz XKPOCASBDSDVBD-UHFFFAOYSA-N 0 0 379.294 3.446 20 30 GGEDRN Cc1cccc(S(=O)(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1C#N ZINC000178503533 1429092433 /nfs/dbraw/zinc/09/24/33/1429092433.db2.gz UZCYIMAWKLPBDN-UHFFFAOYSA-N 0 0 395.440 3.191 20 30 GGEDRN Cc1c(C(=O)N(CCC#N)CC(C)(C)C)cnn1CCO[C@H]1CCCCO1 ZINC000130529918 1416393940 /nfs/dbraw/zinc/39/39/40/1416393940.db2.gz LEZMASRVWCQSAE-SFHVURJKSA-N 0 0 376.501 3.137 20 30 GGEDRN C#Cc1cccc(NC(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)c1 ZINC000130550869 1416397453 /nfs/dbraw/zinc/39/74/53/1416397453.db2.gz WFANUASHVHDCPC-IBGZPJMESA-N 0 0 379.460 3.081 20 30 GGEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@]1(CO)CCc2ccccc21 ZINC000130549971 1416397503 /nfs/dbraw/zinc/39/75/03/1416397503.db2.gz IXVPEFZNNZCEJP-DEOSSOPVSA-N 0 0 383.451 3.437 20 30 GGEDRN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)C(=O)NC(C)C)cc12 ZINC000130552089 1416397612 /nfs/dbraw/zinc/39/76/12/1416397612.db2.gz SNYJMUBIHLEHFS-HNNXBMFYSA-N 0 0 384.436 3.382 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc3nnc(C(F)F)n3c2)c1 ZINC000130550985 1416397863 /nfs/dbraw/zinc/39/78/63/1416397863.db2.gz PKCACILOIPZRTC-AWEZNQCLSA-N 0 0 385.374 3.278 20 30 GGEDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C(=O)Nc2cccc(C#N)c2C)cc1 ZINC000178504697 1429093060 /nfs/dbraw/zinc/09/30/60/1429093060.db2.gz XMSRLXGKQVFIDX-FPOVZHCZSA-N 0 0 391.471 3.398 20 30 GGEDRN C=CCCCN(C)C(=O)C(=O)Nc1cccc(C(=O)OCc2ccccc2)c1 ZINC000130564529 1416399889 /nfs/dbraw/zinc/39/98/89/1416399889.db2.gz HJMPWXZALCIBQY-UHFFFAOYSA-N 0 0 380.444 3.407 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1nccn1Cc1ccccc1 ZINC000130577196 1416402526 /nfs/dbraw/zinc/40/25/26/1416402526.db2.gz MEKVVUNDHHMSFN-UHFFFAOYSA-N 0 0 391.475 3.334 20 30 GGEDRN CC(=O)c1cccc(OCCCC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000130608499 1416409582 /nfs/dbraw/zinc/40/95/82/1416409582.db2.gz GQTWHEPMGYYTME-UHFFFAOYSA-N 0 0 378.428 3.210 20 30 GGEDRN COc1cc(C#N)ccc1OC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000130613853 1416410019 /nfs/dbraw/zinc/41/00/19/1416410019.db2.gz DHTJEOQJHLOAQH-UHFFFAOYSA-N 0 0 377.150 3.457 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H]2[C@@H](C)CCC)cc1 ZINC000130648031 1416416577 /nfs/dbraw/zinc/41/65/77/1416416577.db2.gz CZLWKTBZNCELCC-MAUKXSAKSA-N 0 0 386.496 3.360 20 30 GGEDRN C#CCSCCNC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O ZINC000130647266 1416416633 /nfs/dbraw/zinc/41/66/33/1416416633.db2.gz YRYNWJZHMGYLEH-UHFFFAOYSA-N 0 0 392.480 3.200 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)c2cc3c(cccc3OC(F)F)[nH]2)c1 ZINC000130647179 1416416747 /nfs/dbraw/zinc/41/67/47/1416416747.db2.gz KZCLLNPPZSENMD-UHFFFAOYSA-N 0 0 383.354 3.119 20 30 GGEDRN COc1ccc(C#N)cc1CN1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000178518700 1429095380 /nfs/dbraw/zinc/09/53/80/1429095380.db2.gz SLHWJUPRVSATAO-UHFFFAOYSA-N 0 0 383.879 3.107 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000178518123 1429095457 /nfs/dbraw/zinc/09/54/57/1429095457.db2.gz BCZXWPKLLZNSOH-UHFFFAOYSA-N 0 0 385.431 3.179 20 30 GGEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCc1ccc(Cl)nc1 ZINC000178516782 1429095482 /nfs/dbraw/zinc/09/54/82/1429095482.db2.gz DEAMVPQIFNPTAM-UHFFFAOYSA-N 0 0 375.759 3.104 20 30 GGEDRN CCn1c(CCNS(=O)(=O)c2ccc(Cl)cc2C#N)nc2ccccc21 ZINC000178526947 1429097271 /nfs/dbraw/zinc/09/72/71/1429097271.db2.gz IALLIYQWOXFDOE-UHFFFAOYSA-N 0 0 388.880 3.102 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)nc1 ZINC000178514940 1429095517 /nfs/dbraw/zinc/09/55/17/1429095517.db2.gz ASUFCEAJWZEHKW-UHFFFAOYSA-N 0 0 378.329 3.074 20 30 GGEDRN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)C(C)(C)C#N ZINC000130689590 1416425809 /nfs/dbraw/zinc/42/58/09/1416425809.db2.gz HAOQHHKDRUVOJX-CABCVRRESA-N 0 0 378.494 3.345 20 30 GGEDRN C#CCOc1ccc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1 ZINC000130705665 1416429611 /nfs/dbraw/zinc/42/96/11/1416429611.db2.gz MPDVGNRJSIULDJ-UHFFFAOYSA-N 0 0 391.496 3.266 20 30 GGEDRN COc1cccc([C@H]2CN(C(=O)/C=C/c3ccc(OCC#N)cc3)CCO2)c1 ZINC000130705229 1416429902 /nfs/dbraw/zinc/42/99/02/1416429902.db2.gz KMJXKCZBVFEVLP-TYOLEZHBSA-N 0 0 378.428 3.211 20 30 GGEDRN COc1cccc([C@@H]2CN(C(=O)/C=C/c3ccc(OCC#N)cc3)CCO2)c1 ZINC000130705040 1416429944 /nfs/dbraw/zinc/42/99/44/1416429944.db2.gz KMJXKCZBVFEVLP-CLNPQZTCSA-N 0 0 378.428 3.211 20 30 GGEDRN N#Cc1ccccc1S(=O)(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000178521633 1429096045 /nfs/dbraw/zinc/09/60/45/1429096045.db2.gz DUMSJGYXJLZRNM-UHFFFAOYSA-N 0 0 390.892 3.238 20 30 GGEDRN Cc1cc(NC(=O)CCCCOc2cccc(C#N)c2)n(-c2ccc(C)nn2)n1 ZINC000130717611 1416433649 /nfs/dbraw/zinc/43/36/49/1416433649.db2.gz ZEIAZUIXHVEOJC-UHFFFAOYSA-N 0 0 390.447 3.339 20 30 GGEDRN CC(C)(C#N)c1ccccc1CN1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000178519800 1429096157 /nfs/dbraw/zinc/09/61/57/1429096157.db2.gz LXEFGSZFYJALHP-UHFFFAOYSA-N 0 0 383.517 3.418 20 30 GGEDRN N#Cc1cccc(OCCCCC(=O)N2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000130730455 1416436315 /nfs/dbraw/zinc/43/63/15/1416436315.db2.gz NVINSPPDRSNSNG-SFHVURJKSA-N 0 0 384.398 3.269 20 30 GGEDRN C=CCOc1cc(OC)ccc1C(=O)NCc1ccc(C)nc1N1CCCC1 ZINC000130728937 1416436656 /nfs/dbraw/zinc/43/66/56/1416436656.db2.gz BPBOHPNTQONQHA-UHFFFAOYSA-N 0 0 381.476 3.494 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCC2CCC(C)CC2)c1C ZINC000130735573 1416437787 /nfs/dbraw/zinc/43/77/87/1416437787.db2.gz YNGGZJQEBDZURY-UHFFFAOYSA-N 0 0 393.491 3.242 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCc3ccsc3C2)cc1 ZINC000130737676 1416438632 /nfs/dbraw/zinc/43/86/32/1416438632.db2.gz BOWJGJSGTCOKLE-UHFFFAOYSA-N 0 0 391.518 3.145 20 30 GGEDRN C#CCSCCNC(=O)c1ccccc1OCc1cn2cccc(C)c2n1 ZINC000130747102 1416440962 /nfs/dbraw/zinc/44/09/62/1416440962.db2.gz PIHZFOMFJFKQKS-UHFFFAOYSA-N 0 0 379.485 3.318 20 30 GGEDRN COc1ccc([C@H]2CCCN2S(=O)(=O)c2cccc(C)c2C#N)c(OC)c1 ZINC000130768946 1416446655 /nfs/dbraw/zinc/44/66/55/1416446655.db2.gz NVVHNQLNQFJPBS-GOSISDBHSA-N 0 0 386.473 3.410 20 30 GGEDRN COCCOc1ccc(Cl)cc1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000130768790 1416446793 /nfs/dbraw/zinc/44/67/93/1416446793.db2.gz OJOPCVVIXWUVLH-UHFFFAOYSA-N 0 0 386.835 3.140 20 30 GGEDRN N#Cc1ccc(OC2CN(C(=O)c3ccccc3COC3CCOCC3)C2)cc1 ZINC000130774040 1416447206 /nfs/dbraw/zinc/44/72/06/1416447206.db2.gz IPNZPFOHBWJERQ-UHFFFAOYSA-N 0 0 392.455 3.157 20 30 GGEDRN CC(=O)c1ccc(OCCCC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000130789661 1416451363 /nfs/dbraw/zinc/45/13/63/1416451363.db2.gz LUTHLEOFSAWUSJ-UHFFFAOYSA-N 0 0 378.428 3.210 20 30 GGEDRN Cc1noc([C@H]2CCCN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000130802753 1416454771 /nfs/dbraw/zinc/45/47/71/1416454771.db2.gz LGJSTFKWNRZXDQ-HNNXBMFYSA-N 0 0 392.381 3.338 20 30 GGEDRN N#Cc1cnc2ccccc2c1N1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000130823192 1416460417 /nfs/dbraw/zinc/46/04/17/1416460417.db2.gz SZSHAFBOWUWOSU-OAQYLSRUSA-N 0 0 394.425 3.240 20 30 GGEDRN Cc1c([C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000130836640 1416463225 /nfs/dbraw/zinc/46/32/25/1416463225.db2.gz HNSRAZFOVSFOJN-CYBMUJFWSA-N 0 0 384.436 3.231 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H](C)NC(=O)CC1CCCCC1 ZINC000130845052 1416466061 /nfs/dbraw/zinc/46/60/61/1416466061.db2.gz CTDUBIBHEHFEGU-CQSZACIVSA-N 0 0 381.480 3.341 20 30 GGEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)CNC(=O)c3ccccc3)c2)c1 ZINC000130848290 1416467325 /nfs/dbraw/zinc/46/73/25/1416467325.db2.gz LNGSPJWHBNCQMA-UHFFFAOYSA-N 0 0 398.422 3.179 20 30 GGEDRN Cc1ccc2[nH]c([C@@H]3CCCN(CC(=O)NC4(C#N)CCCCC4)C3)nc2c1 ZINC000130851360 1416467887 /nfs/dbraw/zinc/46/78/87/1416467887.db2.gz NICBMFSVTCQKEE-QGZVFWFLSA-N 0 0 379.508 3.393 20 30 GGEDRN Cc1cc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c(C)n1Cc1ccncc1 ZINC000130857526 1416469134 /nfs/dbraw/zinc/46/91/34/1416469134.db2.gz NENPTZBEDDBLAJ-UHFFFAOYSA-N 0 0 386.455 3.323 20 30 GGEDRN COC(=O)c1cccc(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000130859279 1416469330 /nfs/dbraw/zinc/46/93/30/1416469330.db2.gz UPPUALCJPOMFRQ-UHFFFAOYSA-N 0 0 386.455 3.215 20 30 GGEDRN Cc1ccc(NC(=O)CN2CCN(c3c(C#N)cnc4ccccc43)CC2)c(C)c1 ZINC000130860579 1416470177 /nfs/dbraw/zinc/47/01/77/1416470177.db2.gz AWMPKWNUMFZCFW-UHFFFAOYSA-N 0 0 399.498 3.484 20 30 GGEDRN C[C@H](C(=O)NC1CCCCC1)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130870657 1416471747 /nfs/dbraw/zinc/47/17/47/1416471747.db2.gz QXNWQGWPGNHKKK-QGZVFWFLSA-N 0 0 391.519 3.066 20 30 GGEDRN C=CCn1c2nn(CN(CC(F)F)C(C)C)c(=S)n2c2ccccc2c1=O ZINC000130876655 1416473548 /nfs/dbraw/zinc/47/35/48/1416473548.db2.gz UYWRPTVNEPEKOJ-UHFFFAOYSA-N 0 0 393.463 3.299 20 30 GGEDRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)[C@H](C#N)C(=O)NC(C)C ZINC000130879283 1416474187 /nfs/dbraw/zinc/47/41/87/1416474187.db2.gz JRNFWPWDRUTXFU-ZDUSSCGKSA-N 0 0 390.896 3.160 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1C#N ZINC000130900473 1416478010 /nfs/dbraw/zinc/47/80/10/1416478010.db2.gz CAHATTCGSAGPIN-UHFFFAOYSA-N 0 0 376.416 3.467 20 30 GGEDRN CC(C)NC(=O)[C@@H](C#N)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000130902861 1416478382 /nfs/dbraw/zinc/47/83/82/1416478382.db2.gz KXHVTOJGMYUBGN-HNNXBMFYSA-N 0 0 391.880 3.151 20 30 GGEDRN COC(=O)[C@H](NCc1ccc(C)cc1O[C@H]1CCOC1)c1cccc(C#N)c1 ZINC000130923794 1416481780 /nfs/dbraw/zinc/48/17/80/1416481780.db2.gz WAPQWRIYFNDELH-PZJWPPBQSA-N 0 0 380.444 3.038 20 30 GGEDRN N#CCOc1cccc(CC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000130923418 1416482042 /nfs/dbraw/zinc/48/20/42/1416482042.db2.gz LXPPETOLHCEVHH-UHFFFAOYSA-N 0 0 383.879 3.129 20 30 GGEDRN C=CCN(CC=C)C(=O)C(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000130940085 1416484791 /nfs/dbraw/zinc/48/47/91/1416484791.db2.gz RGFMNVPGFSZAAB-UHFFFAOYSA-N 0 0 392.381 3.089 20 30 GGEDRN C=CCN(CC=C)C(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000130940499 1416484845 /nfs/dbraw/zinc/48/48/45/1416484845.db2.gz XAOMGMVRBVEGEW-UHFFFAOYSA-N 0 0 393.274 3.377 20 30 GGEDRN C=CCN(CC=C)C(=O)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000130940284 1416484886 /nfs/dbraw/zinc/48/48/86/1416484886.db2.gz MDDVLTZGMJIJGU-UHFFFAOYSA-N 0 0 393.274 3.377 20 30 GGEDRN 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3.069 20 30 GGEDRN COc1ccc2c(c1)OC[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)C2 ZINC000138570128 1417426235 /nfs/dbraw/zinc/42/62/35/1417426235.db2.gz OLZSCITUGONKFA-UKRRQHHQSA-N 0 0 384.819 3.247 20 30 GGEDRN COc1cccc(NC(=O)[C@@H](C#N)C(=O)CCCOc2cccc(C(C)=O)c2)c1 ZINC000138659168 1417432539 /nfs/dbraw/zinc/43/25/39/1417432539.db2.gz YWGAGFDUBOMSEO-FQEVSTJZSA-N 0 0 394.427 3.404 20 30 GGEDRN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000138692282 1417433903 /nfs/dbraw/zinc/43/39/03/1417433903.db2.gz DVQFNWAJUPZQTN-OALUTQOASA-N 0 0 399.539 3.157 20 30 GGEDRN Cc1nn(C)c(C)c1[C@H](C)C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000138738085 1417435590 /nfs/dbraw/zinc/43/55/90/1417435590.db2.gz BFTMOLVCNPTUID-ZANVPECISA-N 0 0 376.819 3.281 20 30 GGEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)c2c(C)nn(C)c2C)cc1Cl ZINC000138740085 1417436146 /nfs/dbraw/zinc/43/61/46/1417436146.db2.gz IOHIBSGGPDXGMX-IINYFYTJSA-N 0 0 388.855 3.150 20 30 GGEDRN CC(C)[C@@H](CCN(C)CC(=O)Nc1sccc1C#N)NC(=O)OC(C)(C)C ZINC000178819272 1429182432 /nfs/dbraw/zinc/18/24/32/1429182432.db2.gz SLDZJOUQIOJLIW-OAHLLOKOSA-N 0 0 394.541 3.429 20 30 GGEDRN CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cc1 ZINC000138949448 1417443270 /nfs/dbraw/zinc/44/32/70/1417443270.db2.gz NMHWIDIVSPNNFQ-OAHLLOKOSA-N 0 0 380.404 3.390 20 30 GGEDRN CCc1nc(CN(C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cs1 ZINC000138944845 1417443422 /nfs/dbraw/zinc/44/34/22/1417443422.db2.gz NAHPHXGJNGRXCM-HNNXBMFYSA-N 0 0 377.473 3.375 20 30 GGEDRN N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000138955291 1417443690 /nfs/dbraw/zinc/44/36/90/1417443690.db2.gz ITFWSYQMEUSTBD-OAHLLOKOSA-N 0 0 390.424 3.357 20 30 GGEDRN O=S1(=O)CCc2ccc(NCC#Cc3ccc(OC(F)(F)F)cc3)cc21 ZINC000178823178 1429182839 /nfs/dbraw/zinc/18/28/39/1429182839.db2.gz IWEGGFLEWUGRKR-UHFFFAOYSA-N 0 0 381.375 3.379 20 30 GGEDRN CCOc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cc(OCC)c1OCC ZINC000138991016 1417444299 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ZINC000151165725 1417885610 /nfs/dbraw/zinc/88/56/10/1417885610.db2.gz XMBMMRLHJONSDS-HNNXBMFYSA-N 0 0 391.464 3.117 20 30 GGEDRN C=CCOc1ccccc1CNC(=O)[C@H](C)CS(=O)(=O)c1ccc(F)cc1 ZINC000151165796 1417885751 /nfs/dbraw/zinc/88/57/51/1417885751.db2.gz XMBMMRLHJONSDS-OAHLLOKOSA-N 0 0 391.464 3.117 20 30 GGEDRN Cc1ccc(C(=O)N2CCOCC2)cc1NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000151165926 1417886070 /nfs/dbraw/zinc/88/60/70/1417886070.db2.gz FALRQDDHBQXLFI-KRWDZBQOSA-N 0 0 379.460 3.370 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)c1 ZINC000151173903 1417887609 /nfs/dbraw/zinc/88/76/09/1417887609.db2.gz GNDOZUKKIPDIBZ-HKUYNNGSSA-N 0 0 396.487 3.251 20 30 GGEDRN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CON=C1CCC2(CC1)OCCO2 ZINC000151173239 1417887657 /nfs/dbraw/zinc/88/76/57/1417887657.db2.gz JEINKRNWZISJRG-ZDUSSCGKSA-N 0 0 382.407 3.174 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)c1 ZINC000151174078 1417887700 /nfs/dbraw/zinc/88/77/00/1417887700.db2.gz GNDOZUKKIPDIBZ-IEBWSBKVSA-N 0 0 396.487 3.251 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)CC2CCOCC2)c(F)c1 ZINC000151178743 1417888768 /nfs/dbraw/zinc/88/87/68/1417888768.db2.gz CERIJHWUPSKROW-UHFFFAOYSA-N 0 0 388.464 3.315 20 30 GGEDRN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Br)cc2C#N)cc1 ZINC000151180518 1417889273 /nfs/dbraw/zinc/88/92/73/1417889273.db2.gz JLBGGEUSOLYQLD-UHFFFAOYSA-N 0 0 395.234 3.047 20 30 GGEDRN COCCN(Cc1ncc(-c2ccccc2)o1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000151183532 1417889451 /nfs/dbraw/zinc/88/94/51/1417889451.db2.gz YHIUQYZKDRAHLD-UHFFFAOYSA-N 0 0 397.456 3.051 20 30 GGEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000151184419 1417889916 /nfs/dbraw/zinc/88/99/16/1417889916.db2.gz UZURNYLUYXALKC-UHFFFAOYSA-N 0 0 375.384 3.412 20 30 GGEDRN Cc1nn(C)c(C)c1OCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000151198401 1417892348 /nfs/dbraw/zinc/89/23/48/1417892348.db2.gz YOKXLRYEMNKJPV-LBPRGKRZSA-N 0 0 395.246 3.070 20 30 GGEDRN CSc1cc(C)ccc1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000151200728 1417892681 /nfs/dbraw/zinc/89/26/81/1417892681.db2.gz AMSTZLQIDUXCIZ-UHFFFAOYSA-N 0 0 377.473 3.287 20 30 GGEDRN CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)COc2c(C)nn(C)c2C)cc1 ZINC000151207159 1417893866 /nfs/dbraw/zinc/89/38/66/1417893866.db2.gz ZLFXITHIDLDTAP-ACJLOTCBSA-N 0 0 382.464 3.277 20 30 GGEDRN Cc1ccc(C(N)=NOCC(=O)NCc2cccc(COC(C)C)c2)cc1F ZINC000151219217 1417895978 /nfs/dbraw/zinc/89/59/78/1417895978.db2.gz UESLYGMASNXRHJ-UHFFFAOYSA-N 0 0 387.455 3.012 20 30 GGEDRN COc1ccc(/C=C2\N=C(c3c(Cl)cccc3[N+](=O)[O-])OC2=O)cc1C#N ZINC000151222251 1417896636 /nfs/dbraw/zinc/89/66/36/1417896636.db2.gz RUCFYLOGXXDHCK-JYRVWZFOSA-N 0 0 383.747 3.473 20 30 GGEDRN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000151238246 1417899930 /nfs/dbraw/zinc/89/99/30/1417899930.db2.gz SDWNVVSTKTWSMS-INIZCTEOSA-N 0 0 379.460 3.090 20 30 GGEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)Nc1cccnc1 ZINC000151239745 1417900734 /nfs/dbraw/zinc/90/07/34/1417900734.db2.gz AMCAFNIPFIZJOP-UHFFFAOYSA-N 0 0 379.338 3.034 20 30 GGEDRN Cc1csc(CC(N)=NOCC(=O)N[C@H](c2cccs2)C(C)(C)C)n1 ZINC000151263171 1417907683 /nfs/dbraw/zinc/90/76/83/1417907683.db2.gz HGDXUINGELSGHJ-MRXNPFEDSA-N 0 0 380.539 3.248 20 30 GGEDRN Cc1nc(N2CCN(C(=O)Nc3ccc(F)cc3OCC#N)CC2)sc1C ZINC000151270718 1417909633 /nfs/dbraw/zinc/90/96/33/1417909633.db2.gz WREMQBPHCFNNNE-UHFFFAOYSA-N 0 0 389.456 3.156 20 30 GGEDRN Cc1ccccc1-c1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)n(C)n1 ZINC000151275895 1417911690 /nfs/dbraw/zinc/91/16/90/1417911690.db2.gz CNXYRYSSDQGJSD-HNNXBMFYSA-N 0 0 387.443 3.083 20 30 GGEDRN Cc1ccc(N2CC[C@@H](NC(=O)N[C@H](CCC#N)c3ccccc3)C2=O)cc1 ZINC000151277279 1417912513 /nfs/dbraw/zinc/91/25/13/1417912513.db2.gz DAWRMMGRFGOROW-WOJBJXKFSA-N 0 0 376.460 3.445 20 30 GGEDRN N#Cc1cccc(OCc2cccc(C(=O)OC[C@@H]3CC(=O)N(C4CC4)C3)c2)c1 ZINC000151288428 1417916597 /nfs/dbraw/zinc/91/65/97/1417916597.db2.gz DHUIOWKXJAYVAH-GOSISDBHSA-N 0 0 390.439 3.305 20 30 GGEDRN C[C@@H](ON=C(N)c1cccc(CN2CCOCC2)c1)c1ncc(C(C)(C)C)o1 ZINC000151297717 1417918979 /nfs/dbraw/zinc/91/89/79/1417918979.db2.gz QWIYXMCLYNSNHJ-OAHLLOKOSA-N 0 0 386.496 3.202 20 30 GGEDRN C=CCC[C@H](NS(=O)(=O)c1cnn(C2CCOCC2)c1)c1ccccc1 ZINC000151327247 1417927413 /nfs/dbraw/zinc/92/74/13/1417927413.db2.gz NCLLSWOZQWLCPE-IBGZPJMESA-N 0 0 375.494 3.220 20 30 GGEDRN CCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1cc([O-])cc(Cl)c1 ZINC000151335302 1417929208 /nfs/dbraw/zinc/92/92/08/1417929208.db2.gz GODNWTZSTPXRKY-UHFFFAOYSA-O 0 0 394.904 3.029 20 30 GGEDRN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccn(C3CCCC3)n2)cc1 ZINC000151336764 1417929213 /nfs/dbraw/zinc/92/92/13/1417929213.db2.gz FRWDQPXMAIVVIJ-SFHVURJKSA-N 0 0 395.488 3.024 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000151350070 1417932342 /nfs/dbraw/zinc/93/23/42/1417932342.db2.gz RHTJAYMLSFPDEH-LBPRGKRZSA-N 0 0 399.397 3.441 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000151349265 1417932435 /nfs/dbraw/zinc/93/24/35/1417932435.db2.gz LTRWELHSDFEIRG-CYBMUJFWSA-N 0 0 381.407 3.302 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000151349197 1417932623 /nfs/dbraw/zinc/93/26/23/1417932623.db2.gz LTRWELHSDFEIRG-ZDUSSCGKSA-N 0 0 381.407 3.302 20 30 GGEDRN N#CCC[C@H](NC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccccc1 ZINC000151351178 1417933129 /nfs/dbraw/zinc/93/31/29/1417933129.db2.gz XSTKDBKVXBCHOK-ROUUACIJSA-N 0 0 398.413 3.414 20 30 GGEDRN CCc1cc(C#N)c(NC(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)s1 ZINC000151353144 1417933673 /nfs/dbraw/zinc/93/36/73/1417933673.db2.gz LPOKLWCVSKKHGL-GOSISDBHSA-N 0 0 398.463 3.488 20 30 GGEDRN COC(=O)C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(Cl)c(F)c1 ZINC000151356911 1417934743 /nfs/dbraw/zinc/93/47/43/1417934743.db2.gz DLOKQIFFAPZPOJ-QGZVFWFLSA-N 0 0 390.798 3.150 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000151361353 1417936104 /nfs/dbraw/zinc/93/61/04/1417936104.db2.gz XMDJECYQYPAERI-ICSRJNTNSA-N 0 0 398.434 3.194 20 30 GGEDRN CCOc1ccc(NC(=O)CNC(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000151364756 1417938009 /nfs/dbraw/zinc/93/80/09/1417938009.db2.gz VAFZYPILXCCSPL-LJQANCHMSA-N 0 0 380.448 3.368 20 30 GGEDRN Cc1nc(-c2ccc(NC(=O)CCCC(=O)Nc3ccccc3C#N)cc2)n[nH]1 ZINC000151368795 1417939091 /nfs/dbraw/zinc/93/90/91/1417939091.db2.gz MLWFMVZTYMEQIX-UHFFFAOYSA-N 0 0 388.431 3.399 20 30 GGEDRN N#CCC[C@H](NC(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1)c1ccccc1 ZINC000151382625 1417943353 /nfs/dbraw/zinc/94/33/53/1417943353.db2.gz XXAPVWZKDUOQET-FQEVSTJZSA-N 0 0 394.450 3.225 20 30 GGEDRN N#CCC[C@@H](NC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)c1ccccc1 ZINC000151393237 1417946734 /nfs/dbraw/zinc/94/67/34/1417946734.db2.gz OOFDHIQPLHWIHH-HXUWFJFHSA-N 0 0 394.450 3.338 20 30 GGEDRN COc1ccccc1N1CC[C@@H](NC(=O)N[C@H](CCC#N)c2ccccc2)C1=O ZINC000151400546 1417950639 /nfs/dbraw/zinc/95/06/39/1417950639.db2.gz GBDNJYJBOAIYMX-QZTJIDSGSA-N 0 0 392.459 3.145 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)Cn1cc(I)cn1 ZINC000151403199 1417951087 /nfs/dbraw/zinc/95/10/87/1417951087.db2.gz AHEVLMNMKUNMHL-UHFFFAOYSA-N 0 0 380.233 3.229 20 30 GGEDRN CCS(=O)(=O)c1ccc2oc(CSc3nc(C)nc(C)c3C#N)nc2c1 ZINC000151407182 1417953265 /nfs/dbraw/zinc/95/32/65/1417953265.db2.gz VSEWFERKCXOMKI-UHFFFAOYSA-N 0 0 388.474 3.192 20 30 GGEDRN O=C1[C@@H](N2CCN(CC#Cc3cccc(Cl)c3)CC2)CCN1c1ccccc1 ZINC000151410540 1417955355 /nfs/dbraw/zinc/95/53/55/1417955355.db2.gz PWPSCIXATYPAKM-QFIPXVFZSA-N 0 0 393.918 3.115 20 30 GGEDRN CCCNC(=O)C1(NC(=O)CCCC(=O)Nc2ccccc2C#N)CCCCC1 ZINC000151435865 1417968698 /nfs/dbraw/zinc/96/86/98/1417968698.db2.gz VRGYUWKUEPWNKQ-UHFFFAOYSA-N 0 0 398.507 3.012 20 30 GGEDRN Cc1cc(N2CCC(NC(=O)N[C@@H](CCC#N)c3ccccc3)CC2)nc(C)n1 ZINC000151447202 1417973837 /nfs/dbraw/zinc/97/38/37/1417973837.db2.gz SUHBHEWBJRZOQU-FQEVSTJZSA-N 0 0 392.507 3.407 20 30 GGEDRN Cn1c(=O)[nH]cc(C(=O)C=Cc2ccc(SCc3ccccc3)cc2)c1=O ZINC000151447526 1417974527 /nfs/dbraw/zinc/97/45/27/1417974527.db2.gz LJXMCSOHDITHDI-FMIVXFBMSA-N 0 0 378.453 3.262 20 30 GGEDRN C[C@@H]1CCC[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 ZINC000151450681 1417977244 /nfs/dbraw/zinc/97/72/44/1417977244.db2.gz LPVCQDXIKBMSGD-SZHWJQTNSA-N 0 0 377.510 3.264 20 30 GGEDRN C[C@@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000151472103 1417988362 /nfs/dbraw/zinc/98/83/62/1417988362.db2.gz ZXWPSJQPBNSKNG-VXGBXAGGSA-N 0 0 379.407 3.306 20 30 GGEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000151496620 1418003223 /nfs/dbraw/zinc/00/32/23/1418003223.db2.gz DANWCZIEMSSEMT-IBGZPJMESA-N 0 0 376.460 3.380 20 30 GGEDRN COC1(CNC(=O)c2cccc(COc3ccccc3C#N)c2)CCOCC1 ZINC000151538528 1418017935 /nfs/dbraw/zinc/01/79/35/1418017935.db2.gz ABLLQPLGTLMQIV-UHFFFAOYSA-N 0 0 380.444 3.063 20 30 GGEDRN C=C(C)COCCNC(=O)N(CCC)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000151540038 1418018650 /nfs/dbraw/zinc/01/86/50/1418018650.db2.gz CXOAVAKJBROFEP-UHFFFAOYSA-N 0 0 392.887 3.091 20 30 GGEDRN N#C[C@@H](NC(=O)CCCNC(=O)c1cccnc1)c1cccc(Cl)c1Cl ZINC000151602090 1418037244 /nfs/dbraw/zinc/03/72/44/1418037244.db2.gz PFFUOIJPUSODRN-OAHLLOKOSA-N 0 0 391.258 3.279 20 30 GGEDRN C#CCOc1ccc(NC(=O)CCC(=O)Nc2nnc(CC(C)C)s2)cc1 ZINC000151601402 1418037336 /nfs/dbraw/zinc/03/73/36/1418037336.db2.gz QODNXQHOKUVCFN-UHFFFAOYSA-N 0 0 386.477 3.106 20 30 GGEDRN CCOc1ccc([C@H](C)NC(=O)CCCNc2nccc(C#N)c2[N+](=O)[O-])cc1 ZINC000151612483 1418039761 /nfs/dbraw/zinc/03/97/61/1418039761.db2.gz ZMVYRGXESXKWNN-AWEZNQCLSA-N 0 0 397.435 3.330 20 30 GGEDRN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CON=C(N)C2CCOCC2)cc1 ZINC000151617318 1418040876 /nfs/dbraw/zinc/04/08/76/1418040876.db2.gz SAONBYAQAAESFP-IBGZPJMESA-N 0 0 387.524 3.363 20 30 GGEDRN C=C(C)COc1cc(CNc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)ccc1OC ZINC000151619942 1418042579 /nfs/dbraw/zinc/04/25/79/1418042579.db2.gz KMKMXVMSVQSYPZ-GOSISDBHSA-N 0 0 394.471 3.467 20 30 GGEDRN N#Cc1ccccc1OCc1cccc(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000151636997 1418046792 /nfs/dbraw/zinc/04/67/92/1418046792.db2.gz 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ZINC000179214415 1429296837 /nfs/dbraw/zinc/29/68/37/1429296837.db2.gz HIJVLQUIEQZZBA-OAHLLOKOSA-N 0 0 385.489 3.046 20 30 GGEDRN CN1c2ccccc2N(C)C1=C1C(=N)N(Cc2cccc(N3CC=CC3)c2)CC1=O ZINC000179231013 1429300926 /nfs/dbraw/zinc/30/09/26/1429300926.db2.gz AYPHQXNQBSSWRP-UHFFFAOYSA-N 0 0 399.498 3.223 20 30 GGEDRN COCc1cccc(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000179234335 1429301369 /nfs/dbraw/zinc/30/13/69/1429301369.db2.gz FDOGIBRYOJHHED-UHFFFAOYSA-N 0 0 378.432 3.275 20 30 GGEDRN COc1ccc(CN2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1C#N ZINC000179235049 1429302121 /nfs/dbraw/zinc/30/21/21/1429302121.db2.gz SVKLYWLAIAZFAN-UHFFFAOYSA-N 0 0 383.879 3.107 20 30 GGEDRN CC[C@H](C#N)NC(=O)[C@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000179247103 1429304221 /nfs/dbraw/zinc/30/42/21/1429304221.db2.gz XBSYANBHYMBYFW-DAQLFPLESA-N 0 0 393.531 3.349 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)c3cnc4ccc(F)cc4c3)CC2)c(F)c1 ZINC000179255984 1429305900 /nfs/dbraw/zinc/30/59/00/1429305900.db2.gz NPSHIZRIARFQJX-UHFFFAOYSA-N 0 0 378.382 3.347 20 30 GGEDRN C[C@@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@@H]1COc2ccccc21 ZINC000179280073 1429312608 /nfs/dbraw/zinc/31/26/08/1429312608.db2.gz CLZBGAJSOPVYAK-QAPCUYQASA-N 0 0 394.450 3.094 20 30 GGEDRN C[C@@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)[C@H]1COc2ccccc21 ZINC000179285160 1429314282 /nfs/dbraw/zinc/31/42/82/1429314282.db2.gz VKQIFDWKOVLFIQ-YLJYHZDGSA-N 0 0 390.487 3.345 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000179285944 1429314483 /nfs/dbraw/zinc/31/44/83/1429314483.db2.gz CMEKMVYLWBGSFX-HXUWFJFHSA-N 0 0 388.402 3.245 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000179296195 1429318176 /nfs/dbraw/zinc/31/81/76/1429318176.db2.gz JRKILDFPPBBIEX-UHFFFAOYSA-N 0 0 385.826 3.446 20 30 GGEDRN CCc1c(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cnn1CC(C)C ZINC000179289601 1429315736 /nfs/dbraw/zinc/31/57/36/1429315736.db2.gz MWUICHUEJIUWFM-UHFFFAOYSA-N 0 0 383.471 3.075 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179294258 1429317473 /nfs/dbraw/zinc/31/74/73/1429317473.db2.gz BEPVHGRZPRWIGQ-SFHVURJKSA-N 0 0 383.517 3.494 20 30 GGEDRN COc1ccc(C(F)(F)C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000179300564 1429320354 /nfs/dbraw/zinc/32/03/54/1429320354.db2.gz IBPHAYLXWWOIJR-UHFFFAOYSA-N 0 0 385.414 3.398 20 30 GGEDRN C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179305921 1429322706 /nfs/dbraw/zinc/32/27/06/1429322706.db2.gz JVQMKOUOPICTGN-HXUWFJFHSA-N 0 0 393.462 3.019 20 30 GGEDRN COc1cc(C(=O)NCc2ccc(OCC#N)cc2)sc1Br ZINC000179315087 1429325390 /nfs/dbraw/zinc/32/53/90/1429325390.db2.gz STMAEDUUXIOTFG-UHFFFAOYSA-N 0 0 381.251 3.352 20 30 GGEDRN C=CCc1ccc(OCC(=O)N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(OC)c1 ZINC000179330609 1429331250 /nfs/dbraw/zinc/33/12/50/1429331250.db2.gz YLFFXHZXAVIDQP-QGZVFWFLSA-N 0 0 396.491 3.204 20 30 GGEDRN N#CCOc1ccc(C=CC(=O)N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179337032 1429334102 /nfs/dbraw/zinc/33/41/02/1429334102.db2.gz KOYHOEADWLDFAS-HQWZXOHUSA-N 0 0 377.448 3.004 20 30 GGEDRN CCn1c(NC(=O)CSCC(=O)c2ccccc2)nc2cc(C#N)ccc21 ZINC000179337858 1429334117 /nfs/dbraw/zinc/33/41/17/1429334117.db2.gz KDGCFFPWODWEAH-UHFFFAOYSA-N 0 0 378.457 3.482 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)c1ccnc(OCC(F)F)c1 ZINC000179349024 1429339389 /nfs/dbraw/zinc/33/93/89/1429339389.db2.gz DPSMZMHTLJEBFK-UHFFFAOYSA-N 0 0 377.416 3.260 20 30 GGEDRN COCCO[C@H]1CCCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000179347019 1429337759 /nfs/dbraw/zinc/33/77/59/1429337759.db2.gz SOSFLSNJHGHSST-SFHVURJKSA-N 0 0 393.915 3.023 20 30 GGEDRN Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C(=O)NCCCCC#N ZINC000179348997 1429338889 /nfs/dbraw/zinc/33/88/89/1429338889.db2.gz JKZPAYWLDPYIRP-UHFFFAOYSA-N 0 0 381.480 3.227 20 30 GGEDRN C=C[C@H](CC(=O)Nc1ccc(CC(=O)N[C@H](CC)CO)cc1)c1ccccc1 ZINC000179360118 1429343059 /nfs/dbraw/zinc/34/30/59/1429343059.db2.gz PWXJLXGNAXNSNR-UYAOXDASSA-N 0 0 380.488 3.415 20 30 GGEDRN N#CCOc1ccc(CNC(=O)c2ccc(-n3cnc4ccccc43)nc2)cc1 ZINC000179363031 1429344891 /nfs/dbraw/zinc/34/48/91/1429344891.db2.gz JKJSSSILKMILRY-UHFFFAOYSA-N 0 0 383.411 3.253 20 30 GGEDRN C=CCSCCNC(=O)C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC000179371072 1429348413 /nfs/dbraw/zinc/34/84/13/1429348413.db2.gz FMZAFMWNJPXGET-UHFFFAOYSA-N 0 0 384.505 3.114 20 30 GGEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@]2(O)CCOC2)cc1Cl ZINC000179389148 1429354858 /nfs/dbraw/zinc/35/48/58/1429354858.db2.gz LPGVFLAHOQRJFY-YLJYHZDGSA-N 0 0 385.851 3.268 20 30 GGEDRN COc1ccc(Br)cc1CNC(=O)Cc1cccc(OCC#N)c1 ZINC000179391531 1429355922 /nfs/dbraw/zinc/35/59/22/1429355922.db2.gz DJZCWWQJIZXNLC-UHFFFAOYSA-N 0 0 389.249 3.219 20 30 GGEDRN N#CCCCCNC(=O)C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000179397237 1429358376 /nfs/dbraw/zinc/35/83/76/1429358376.db2.gz AZSPEDGANHATKZ-UHFFFAOYSA-N 0 0 379.464 3.278 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)NCc3cc(F)cc(F)c3)CC2)nc1 ZINC000179411479 1429363580 /nfs/dbraw/zinc/36/35/80/1429363580.db2.gz MFFCYBXPPFQURV-UHFFFAOYSA-N 0 0 386.402 3.421 20 30 GGEDRN COc1cccc(C(=O)N2CCN(Cc3cccc(OCCCC#N)c3)CC2)c1 ZINC000179423770 1429369981 /nfs/dbraw/zinc/36/99/81/1429369981.db2.gz LKRBISHDKINCMA-UHFFFAOYSA-N 0 0 393.487 3.336 20 30 GGEDRN CCOc1cc(/C=C/C(=O)N2CCN(c3cccc(F)c3C#N)CC2)ccc1O ZINC000179424890 1429370159 /nfs/dbraw/zinc/37/01/59/1429370159.db2.gz GUYKDWKEPXETAD-VQHVLOKHSA-N 0 0 395.434 3.164 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc3ccn(CCOC)c3c2)c1 ZINC000179441136 1429377623 /nfs/dbraw/zinc/37/76/23/1429377623.db2.gz VJZFNUKLUSMHCZ-UHFFFAOYSA-N 0 0 390.443 3.029 20 30 GGEDRN Cc1cc(F)ccc1-n1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)nn1 ZINC000179442628 1429377926 /nfs/dbraw/zinc/37/79/26/1429377926.db2.gz VDZXDXMPTIPTKM-UHFFFAOYSA-N 0 0 387.321 3.440 20 30 GGEDRN COc1ccc(C[C@@H](C)CN(C)C(=O)C(=O)Nc2cccc(C#N)c2C)cc1 ZINC000179445608 1429379443 /nfs/dbraw/zinc/37/94/43/1429379443.db2.gz SZGYWGIQHFPBAT-OAHLLOKOSA-N 0 0 379.460 3.151 20 30 GGEDRN CN1CCO[C@H]([C@H](NC(=O)NCc2ccc(C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000179463974 1429384186 /nfs/dbraw/zinc/38/41/86/1429384186.db2.gz IYKREBOVUBXOLH-VQTJNVASSA-N 0 0 398.894 3.083 20 30 GGEDRN COc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3cccnc3OC)n2)cc1 ZINC000179471278 1429386189 /nfs/dbraw/zinc/38/61/89/1429386189.db2.gz UCIGOZQBKFCDAI-AWEZNQCLSA-N 0 0 380.429 3.468 20 30 GGEDRN Cc1nc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000179473698 1429387219 /nfs/dbraw/zinc/38/72/19/1429387219.db2.gz ZCMWZNDQHTYNBY-DNVCBOLYSA-N 0 0 386.858 3.477 20 30 GGEDRN Cc1cc(F)ccc1-n1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)nn1 ZINC000179488029 1429390829 /nfs/dbraw/zinc/39/08/29/1429390829.db2.gz AOEMELKWSDHCEX-OAHLLOKOSA-N 0 0 397.797 3.329 20 30 GGEDRN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179497791 1429395681 /nfs/dbraw/zinc/39/56/81/1429395681.db2.gz MQKHRAMVZJEDFM-IBQBPIARSA-N 0 0 398.555 3.181 20 30 GGEDRN CCc1ccc(CN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C2CC2)cc1 ZINC000179500350 1429397659 /nfs/dbraw/zinc/39/76/59/1429397659.db2.gz CCQNSFUBKPDOLK-UHFFFAOYSA-N 0 0 379.464 3.028 20 30 GGEDRN C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000179501380 1429398382 /nfs/dbraw/zinc/39/83/82/1429398382.db2.gz VQKOJMSGNRKJER-GFCCVEGCSA-N 0 0 387.871 3.321 20 30 GGEDRN Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000179504245 1429399669 /nfs/dbraw/zinc/39/96/69/1429399669.db2.gz LWVSWDTXVASCJN-ODXCJYRJSA-N 0 0 382.420 3.143 20 30 GGEDRN N#C[C@@H](NC(=O)c1cccnc1N1CCOCC1)c1cccc(Cl)c1Cl ZINC000179511424 1429402285 /nfs/dbraw/zinc/40/22/85/1429402285.db2.gz ISBFLQWIJGBRRZ-OAHLLOKOSA-N 0 0 391.258 3.220 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(-c2nnc(CC)o2)cc1 ZINC000179513004 1429403301 /nfs/dbraw/zinc/40/33/01/1429403301.db2.gz QVDJMFZCVLFDDE-UHFFFAOYSA-N 0 0 390.443 3.452 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(C(=O)NCCNC(=O)C2CC2)cc1Cl ZINC000179514889 1429404915 /nfs/dbraw/zinc/40/49/15/1429404915.db2.gz WJSVKYZPNSYFAS-UHFFFAOYSA-N 0 0 383.835 3.260 20 30 GGEDRN CCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccc(C#N)c(Cl)c1 ZINC000179521422 1429407832 /nfs/dbraw/zinc/40/78/32/1429407832.db2.gz GBEGTDPMIJIGNK-UHFFFAOYSA-N 0 0 396.794 3.367 20 30 GGEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)c1csc(-c2cnccn2)n1 ZINC000179531404 1429412984 /nfs/dbraw/zinc/41/29/84/1429412984.db2.gz RZLAVMNSRNJJCD-UHFFFAOYSA-N 0 0 375.417 3.094 20 30 GGEDRN CCN(C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1)c1ccc(C#N)c(Cl)c1 ZINC000179531863 1429413125 /nfs/dbraw/zinc/41/31/25/1429413125.db2.gz HVMYALQLKDBLAB-UHFFFAOYSA-N 0 0 395.868 3.030 20 30 GGEDRN CCN(C(=O)c1ccc(OC)c(N2CCNC2=O)c1)c1ccc(C#N)c(Cl)c1 ZINC000179532636 1429412829 /nfs/dbraw/zinc/41/28/29/1429412829.db2.gz AGBPSNFGEHXATM-UHFFFAOYSA-N 0 0 398.850 3.417 20 30 GGEDRN CCN(C(=O)c1ccc(N2NC(=O)CCC2=O)cc1)c1ccc(C#N)c(Cl)c1 ZINC000179533170 1429414079 /nfs/dbraw/zinc/41/40/79/1429414079.db2.gz ZZVLHQQXBNSRHC-UHFFFAOYSA-N 0 0 396.834 3.036 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCCc2ccc(C)cc21 ZINC000179533330 1429414510 /nfs/dbraw/zinc/41/45/10/1429414510.db2.gz QFHLMSJCHXLLEH-SFHVURJKSA-N 0 0 377.444 3.398 20 30 GGEDRN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C#N)c1ccccc1Cl ZINC000179550751 1429425136 /nfs/dbraw/zinc/42/51/36/1429425136.db2.gz JTFCLIIJZQGTTO-WOJBJXKFSA-N 0 0 394.862 3.250 20 30 GGEDRN CN1CCN([C@H](C(=O)N[C@H](C#N)c2ccccc2Cl)c2ccccc2)CC1 ZINC000179544848 1429421787 /nfs/dbraw/zinc/42/17/87/1429421787.db2.gz CWMNBYSZRPGGQQ-UXHICEINSA-N 0 0 382.895 3.010 20 30 GGEDRN CN1C(=O)C[C@H](C(=O)N[C@@H](C#N)c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000179545469 1429422352 /nfs/dbraw/zinc/42/23/52/1429422352.db2.gz CSWJXSRSKLKBIL-IEZWGBDMSA-N 0 0 385.826 3.380 20 30 GGEDRN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@@H](C#N)c1ccccc1Cl)C2=O ZINC000179546089 1429422706 /nfs/dbraw/zinc/42/27/06/1429422706.db2.gz WCXDVCJXVCPIIY-PXAZEXFGSA-N 0 0 381.819 3.014 20 30 GGEDRN N#C[C@@H](NC(=O)[C@H](c1ccccc1F)N1CCOCC1)c1ccccc1Cl ZINC000179549859 1429425632 /nfs/dbraw/zinc/42/56/32/1429425632.db2.gz FBLJIXGLYPDILD-MOPGFXCFSA-N 0 0 387.842 3.233 20 30 GGEDRN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000179550727 1429425646 /nfs/dbraw/zinc/42/56/46/1429425646.db2.gz JTFCLIIJZQGTTO-UXHICEINSA-N 0 0 394.862 3.250 20 30 GGEDRN N#Cc1ccc(-c2nnc(CN[C@H](CN3CCCC3=O)c3ccccc3)o2)cc1 ZINC000179551283 1429425777 /nfs/dbraw/zinc/42/57/77/1429425777.db2.gz SEPZOGZWYCBGJV-LJQANCHMSA-N 0 0 387.443 3.062 20 30 GGEDRN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000179571527 1429441634 /nfs/dbraw/zinc/44/16/34/1429441634.db2.gz WSYCWJBSMJWVGE-MRXNPFEDSA-N 0 0 394.475 3.396 20 30 GGEDRN Cc1ccc([C@@H](CNC(=O)c2cccc(C#N)c2)NC(=O)c2cccc(C#N)c2)o1 ZINC000179579626 1429449062 /nfs/dbraw/zinc/44/90/62/1429449062.db2.gz QYJJCJPFTSWHJO-HXUWFJFHSA-N 0 0 398.422 3.232 20 30 GGEDRN C=CCOc1cccc(NC(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000179589144 1429456091 /nfs/dbraw/zinc/45/60/91/1429456091.db2.gz JRKAIDFSYWNONX-SFHVURJKSA-N 0 0 379.460 3.422 20 30 GGEDRN C=C(Br)CNC(=O)C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000179587956 1429456164 /nfs/dbraw/zinc/45/61/64/1429456164.db2.gz ZKJPHEWXKOXJRF-UHFFFAOYSA-N 0 0 389.249 3.229 20 30 GGEDRN CS(=O)(=O)Nc1ccc(OCC/N=C/c2c(O)ccc3ccccc32)cc1 ZINC000179601950 1429465760 /nfs/dbraw/zinc/46/57/60/1429465760.db2.gz JJIPXSZNRYBYTI-KGENOOAVSA-N 0 0 384.457 3.415 20 30 GGEDRN N#Cc1c2c(sc1NC(=O)c1ccc(=O)n(-c3ccccc3F)n1)CCCC2 ZINC000179605969 1429467571 /nfs/dbraw/zinc/46/75/71/1429467571.db2.gz PVQXYJLTMAWECE-UHFFFAOYSA-N 0 0 394.431 3.436 20 30 GGEDRN CN1c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc2CCC1=O ZINC000179610589 1429470303 /nfs/dbraw/zinc/47/03/03/1429470303.db2.gz WJQUAVWYCCDYOQ-MRXNPFEDSA-N 0 0 381.819 3.210 20 30 GGEDRN Cn1cc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000179621861 1429475362 /nfs/dbraw/zinc/47/53/62/1429475362.db2.gz GODNCFXMFYYZSB-NRFANRHFSA-N 0 0 385.471 3.110 20 30 GGEDRN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000179616019 1429472254 /nfs/dbraw/zinc/47/22/54/1429472254.db2.gz GQUMJBPGYFICLS-RTBURBONSA-N 0 0 393.491 3.459 20 30 GGEDRN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000179616006 1429472363 /nfs/dbraw/zinc/47/23/63/1429472363.db2.gz GQUMJBPGYFICLS-RBUKOAKNSA-N 0 0 393.491 3.459 20 30 GGEDRN C=CCN(C(=O)Nc1ccc2ccn(CCC)c2c1)[C@H]1CCS(=O)(=O)C1 ZINC000179639955 1429485004 /nfs/dbraw/zinc/48/50/04/1429485004.db2.gz NNJYJSPKGCBOGH-KRWDZBQOSA-N 0 0 375.494 3.258 20 30 GGEDRN Cc1ccc(Br)c(S(=O)(=O)NCc2ccc(OCC#N)cc2)c1 ZINC000179647138 1429487734 /nfs/dbraw/zinc/48/77/34/1429487734.db2.gz IOFVTQLVDIPOCF-UHFFFAOYSA-N 0 0 395.278 3.138 20 30 GGEDRN C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000179646153 1429487857 /nfs/dbraw/zinc/48/78/57/1429487857.db2.gz FZPQJXUVJROYAM-IERDGZPVSA-N 0 0 375.476 3.108 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)CNc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000179662519 1429496244 /nfs/dbraw/zinc/49/62/44/1429496244.db2.gz WQWNOEIAKMBIQU-LBPRGKRZSA-N 0 0 388.295 3.439 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000179662327 1429496258 /nfs/dbraw/zinc/49/62/58/1429496258.db2.gz NYZBIOOKLJCJDF-QGZVFWFLSA-N 0 0 383.427 3.071 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000179662335 1429496384 /nfs/dbraw/zinc/49/63/84/1429496384.db2.gz NYZBIOOKLJCJDF-KRWDZBQOSA-N 0 0 383.427 3.071 20 30 GGEDRN COCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1C(C)(C)C#N ZINC000821690793 1429500530 /nfs/dbraw/zinc/50/05/30/1429500530.db2.gz ZYMKJEPHUJUWNR-UHFFFAOYSA-N 0 0 390.491 3.316 20 30 GGEDRN C=CCN(C(=O)Nc1ccc(CCC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000179673409 1429501372 /nfs/dbraw/zinc/50/13/72/1429501372.db2.gz WLYLMQADJHHQOC-OAHLLOKOSA-N 0 0 390.427 3.389 20 30 GGEDRN C=CCN(C(=O)Nc1ccc(CCC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000179673420 1429501657 /nfs/dbraw/zinc/50/16/57/1429501657.db2.gz WLYLMQADJHHQOC-HNNXBMFYSA-N 0 0 390.427 3.389 20 30 GGEDRN C#CCCCCC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000179675025 1429502113 /nfs/dbraw/zinc/50/21/13/1429502113.db2.gz RBBXEKZRXGYDON-UHFFFAOYSA-N 0 0 386.883 3.228 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](C)c2cc3ccccc3s2)n1 ZINC000179674422 1429502357 /nfs/dbraw/zinc/50/23/57/1429502357.db2.gz ZIZKDSWPRQPVAI-GFCCVEGCSA-N 0 0 381.461 3.366 20 30 GGEDRN CCCN1c2ccc(N[C@H]3CCN(c4ccc(C#N)cc4)C3=O)cc2CCC1=O ZINC000179680850 1429504618 /nfs/dbraw/zinc/50/46/18/1429504618.db2.gz RQHDRSOBPFZLDZ-FQEVSTJZSA-N 0 0 388.471 3.465 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)c1cccc(-c2nnc(COC)o2)c1 ZINC000179682698 1429505268 /nfs/dbraw/zinc/50/52/68/1429505268.db2.gz GXWWVYAEFITYKK-UHFFFAOYSA-N 0 0 381.363 3.286 20 30 GGEDRN C=CCNC(=O)c1ccccc1NC(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F ZINC000179695972 1429510965 /nfs/dbraw/zinc/51/09/65/1429510965.db2.gz LAVSBISOLLJEDC-SFHVURJKSA-N 0 0 396.365 3.283 20 30 GGEDRN N#Cc1cc(C#N)c(S[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)nc1N ZINC000179689648 1429508128 /nfs/dbraw/zinc/50/81/28/1429508128.db2.gz INMGYBWUFJKPQT-AWEZNQCLSA-N 0 0 387.827 3.097 20 30 GGEDRN C=CCn1c2ncn(CCC(=O)OCc3ccccc3)c(=O)c2sc1=S ZINC000179702688 1429513875 /nfs/dbraw/zinc/51/38/75/1429513875.db2.gz ZUPFKCYJAHSRNJ-UHFFFAOYSA-N 0 0 387.486 3.308 20 30 GGEDRN CCCN(CCc1cccc(F)c1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000179704511 1429514553 /nfs/dbraw/zinc/51/45/53/1429514553.db2.gz GJBHDYOOTVCRDY-UHFFFAOYSA-N 0 0 399.470 3.069 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@](C)(c3ccccc3)C2)n1 ZINC000179704171 1429514764 /nfs/dbraw/zinc/51/47/64/1429514764.db2.gz QSBDJZCOVUGDGY-JOCHJYFZSA-N 0 0 393.491 3.029 20 30 GGEDRN CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2cn(C)nc2-c2ccccc2)cc1 ZINC000179712979 1429518005 /nfs/dbraw/zinc/51/80/05/1429518005.db2.gz IPIWHJXBJCCZTR-SDNWHVSQSA-N 0 0 395.484 3.234 20 30 GGEDRN CCC(CC)n1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C ZINC000179720580 1429521948 /nfs/dbraw/zinc/52/19/48/1429521948.db2.gz ATDJHIJRUZVRBI-MRXNPFEDSA-N 0 0 389.500 3.138 20 30 GGEDRN CN(C)S(=O)(=O)c1cccc(C(=O)/C=C/c2cn(C)nc2-c2ccccc2)c1 ZINC000179717068 1429519854 /nfs/dbraw/zinc/51/98/54/1429519854.db2.gz QSEHOSICOCPTNJ-OUKQBFOZSA-N 0 0 395.484 3.234 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000179722544 1429522764 /nfs/dbraw/zinc/52/27/64/1429522764.db2.gz HIVOPWPVRPPMOK-GOSISDBHSA-N 0 0 391.254 3.105 20 30 GGEDRN COCCOc1cc(C)ccc1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000152309264 1422068930 /nfs/dbraw/zinc/06/89/30/1422068930.db2.gz YDMBEIBJQNTWFT-UHFFFAOYSA-N 0 0 382.460 3.366 20 30 GGEDRN COc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nn1 ZINC000152309255 1422069048 /nfs/dbraw/zinc/06/90/48/1422069048.db2.gz GVLXXSNFQHFSDI-UHFFFAOYSA-N 0 0 376.391 3.339 20 30 GGEDRN CCN(C(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1)c1ccc(C#N)cc1 ZINC000152315156 1422070647 /nfs/dbraw/zinc/07/06/47/1422070647.db2.gz MUTGDFNTZVBLKN-UHFFFAOYSA-N 0 0 399.516 3.443 20 30 GGEDRN COc1c(F)ccc(F)c1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000152325191 1422073015 /nfs/dbraw/zinc/07/30/15/1422073015.db2.gz IZUMZRWKWNQKDD-UHFFFAOYSA-N 0 0 385.414 3.193 20 30 GGEDRN CCOc1ccc(-n2c(SCC(=O)N[C@@H](C)C#N)nnc2-c2ccco2)cc1 ZINC000152332392 1422074908 /nfs/dbraw/zinc/07/49/08/1422074908.db2.gz HWFCDTDYIGUPCM-ZDUSSCGKSA-N 0 0 397.460 3.046 20 30 GGEDRN C[C@H](Sc1ccccn1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000152332280 1422075063 /nfs/dbraw/zinc/07/50/63/1422075063.db2.gz IMQKRKMZVMSRLT-HOCLYGCPSA-N 0 0 384.480 3.358 20 30 GGEDRN C#CC[NH+]1CCC(C(=O)NCc2ccc(OCCC)cc2OC(F)F)CC1 ZINC000152412550 1422096137 /nfs/dbraw/zinc/09/61/37/1422096137.db2.gz XEVKMNQCPOLGMT-UHFFFAOYSA-N 0 0 380.435 3.038 20 30 GGEDRN C#CCOc1ccc(CNc2ccc(CC(=O)N3CCN(CC)CC3)cc2)cc1 ZINC000152422488 1422099337 /nfs/dbraw/zinc/09/93/37/1422099337.db2.gz WPUKSQSWQFIAKZ-UHFFFAOYSA-N 0 0 391.515 3.017 20 30 GGEDRN COc1ccc(CNC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c2ccc(F)cc2F)cc1 ZINC000152447542 1422105309 /nfs/dbraw/zinc/10/53/09/1422105309.db2.gz PBBWMLKRPXEERR-ACJLOTCBSA-N 0 0 386.398 3.492 20 30 GGEDRN COc1ccc(CNC(=O)[C@H](C#N)C(=O)C[C@H](C)c2ccc(F)cc2F)cc1 ZINC000152447276 1422105465 /nfs/dbraw/zinc/10/54/65/1422105465.db2.gz PBBWMLKRPXEERR-SCLBCKFNSA-N 0 0 386.398 3.492 20 30 GGEDRN CCOc1ccc(Cl)cc1CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000152446748 1422105547 /nfs/dbraw/zinc/10/55/47/1422105547.db2.gz CDHBDZBQIMMICX-UHFFFAOYSA-N 0 0 389.814 3.047 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1OC ZINC000152447953 1422105580 /nfs/dbraw/zinc/10/55/80/1422105580.db2.gz RHYWXLAUHGESEJ-XSFOEPMVSA-N 0 0 379.460 3.063 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCN(c3ccccn3)C2)cc1OC ZINC000152448033 1422106183 /nfs/dbraw/zinc/10/61/83/1422106183.db2.gz RHYWXLAUHGESEJ-LNENJAERSA-N 0 0 379.460 3.063 20 30 GGEDRN CCOc1ccc(Cl)cc1CCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000152455825 1422108448 /nfs/dbraw/zinc/10/84/48/1422108448.db2.gz PJGNRCXVWCDOLI-UHFFFAOYSA-N 0 0 389.814 3.047 20 30 GGEDRN COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000152470755 1422112097 /nfs/dbraw/zinc/11/20/97/1422112097.db2.gz HVRUETKWJPFSGW-UXHICEINSA-N 0 0 378.428 3.209 20 30 GGEDRN CS(=O)(=O)C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccccc1 ZINC000179739778 1429531124 /nfs/dbraw/zinc/53/11/24/1429531124.db2.gz YUFSEEJPICEUOU-MOPGFXCFSA-N 0 0 385.489 3.117 20 30 GGEDRN COc1ccc(C#N)cc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000152496162 1422121213 /nfs/dbraw/zinc/12/12/13/1422121213.db2.gz CZNZUEZIXHPCHU-UHFFFAOYSA-N 0 0 389.440 3.281 20 30 GGEDRN COC(=O)[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)(C)C ZINC000152497992 1422121326 /nfs/dbraw/zinc/12/13/26/1422121326.db2.gz UAHJFPQYRJBNKL-MRXNPFEDSA-N 0 0 377.510 3.004 20 30 GGEDRN Cc1sc2ncc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)c(=O)n2c1C ZINC000179740640 1429532018 /nfs/dbraw/zinc/53/20/18/1429532018.db2.gz URPRBNNZIRMOBL-UHFFFAOYSA-N 0 0 378.457 3.049 20 30 GGEDRN COCCc1noc(CN(C)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)n1 ZINC000152498493 1422122565 /nfs/dbraw/zinc/12/25/65/1422122565.db2.gz HZBGHCJAKBPJMN-UHFFFAOYSA-N 0 0 391.431 3.146 20 30 GGEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000152507525 1422124934 /nfs/dbraw/zinc/12/49/34/1422124934.db2.gz JHOFAJRMQKDGHN-UHFFFAOYSA-N 0 0 378.325 3.219 20 30 GGEDRN N#Cc1ccc(OC2CN(C(=O)NCc3cccc(OCC(F)F)c3)C2)cc1 ZINC000152525441 1422131420 /nfs/dbraw/zinc/13/14/20/1422131420.db2.gz YTOPIDSWDJINSI-UHFFFAOYSA-N 0 0 387.386 3.175 20 30 GGEDRN CCc1nc2c(s1)[C@H](N(C)CCS(=O)(=O)c1ccc(C#N)cc1)CCC2 ZINC000152529817 1422132910 /nfs/dbraw/zinc/13/29/10/1422132910.db2.gz KUMPRZSYVCVTOP-QGZVFWFLSA-N 0 0 389.546 3.360 20 30 GGEDRN N#Cc1cc(F)c(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c(F)c1 ZINC000152530849 1422133165 /nfs/dbraw/zinc/13/31/65/1422133165.db2.gz GOAAHMVDXBXLRG-UHFFFAOYSA-N 0 0 384.386 3.263 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179744429 1429533250 /nfs/dbraw/zinc/53/32/50/1429533250.db2.gz CGZZLQWNDQHXCT-HNNXBMFYSA-N 0 0 380.452 3.364 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)c1ccc(NS(=O)(=O)CCC)cc1 ZINC000152544789 1422138011 /nfs/dbraw/zinc/13/80/11/1422138011.db2.gz RONFULCRFJNGRB-UHFFFAOYSA-N 0 0 390.436 3.242 20 30 GGEDRN C#C[C@H](OC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000152549763 1422139263 /nfs/dbraw/zinc/13/92/63/1422139263.db2.gz DIJOXCVOFHUTON-FQEVSTJZSA-N 0 0 392.411 3.460 20 30 GGEDRN C#CCOc1ccc(C(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)cc1 ZINC000152548784 1422139427 /nfs/dbraw/zinc/13/94/27/1422139427.db2.gz BKSSCDDTTUYEHT-UHFFFAOYSA-N 0 0 397.438 3.381 20 30 GGEDRN COCCc1noc(CN(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n1 ZINC000152553722 1422141271 /nfs/dbraw/zinc/14/12/71/1422141271.db2.gz AEOBLWVXBGBBEL-UHFFFAOYSA-N 0 0 392.415 3.195 20 30 GGEDRN C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)c1ccc(F)cc1Cl ZINC000179735527 1429529193 /nfs/dbraw/zinc/52/91/93/1429529193.db2.gz OMRLJSRVLJBIDC-JTQLQIEISA-N 0 0 391.834 3.118 20 30 GGEDRN Cn1c(SCC(=O)Nc2ccc(C#N)c(C#N)c2)nnc1-c1cccs1 ZINC000152602339 1422159476 /nfs/dbraw/zinc/15/94/76/1422159476.db2.gz SPERVRRTNSBEHO-UHFFFAOYSA-N 0 0 380.458 3.018 20 30 GGEDRN C#C[C@@H](OC(=O)COc1c(Br)cc(C#N)cc1OCC)C1CC1 ZINC000152611958 1422164265 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GGEDRN COCCN(C(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1ccc(C#N)cc1 ZINC000154384935 1422881883 /nfs/dbraw/zinc/88/18/83/1422881883.db2.gz KNGWHURTLZYDSC-NRFANRHFSA-N 0 0 380.444 3.409 20 30 GGEDRN COCCN(C(=O)c1cnn(-c2ccccc2F)c1C)c1ccc(C#N)cc1 ZINC000154385152 1422881938 /nfs/dbraw/zinc/88/19/38/1422881938.db2.gz QNWHUBZHPOSIQD-UHFFFAOYSA-N 0 0 378.407 3.485 20 30 GGEDRN C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000154386340 1422882328 /nfs/dbraw/zinc/88/23/28/1422882328.db2.gz FWGDUTULAXTGNT-LBPRGKRZSA-N 0 0 384.379 3.153 20 30 GGEDRN COCCN(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(C#N)cc1 ZINC000154391482 1422882884 /nfs/dbraw/zinc/88/28/84/1422882884.db2.gz RNHGGTHAXSAGAN-OAQYLSRUSA-N 0 0 380.444 3.409 20 30 GGEDRN CN(CCCOc1ccc(F)cc1)C(=O)CNc1ccc(F)cc1OCC#N ZINC000154406464 1422885131 /nfs/dbraw/zinc/88/51/31/1422885131.db2.gz JFXQPCPPJBCZML-UHFFFAOYSA-N 0 0 389.402 3.207 20 30 GGEDRN C[C@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000154406751 1422885147 /nfs/dbraw/zinc/88/51/47/1422885147.db2.gz ZABRLVRWAXGGQM-SNVBAGLBSA-N 0 0 381.360 3.126 20 30 GGEDRN C[C@H](Sc1nc(N)c(C#N)cc1C#N)c1nc(Cc2ccc(F)cc2)no1 ZINC000154415998 1422886240 /nfs/dbraw/zinc/88/62/40/1422886240.db2.gz NUNKPASXMQRVKX-JTQLQIEISA-N 0 0 380.408 3.373 20 30 GGEDRN COCCN(C(=O)c1cc(C2CC2)nc2c1c(C)nn2C)c1ccc(C#N)cc1 ZINC000154415809 1422886304 /nfs/dbraw/zinc/88/63/04/1422886304.db2.gz WTTNXCXIAVQKKI-UHFFFAOYSA-N 0 0 389.459 3.319 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000154424657 1422887114 /nfs/dbraw/zinc/88/71/14/1422887114.db2.gz IRJDDLSSWIIXGI-IBGZPJMESA-N 0 0 382.460 3.498 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000154432059 1422888026 /nfs/dbraw/zinc/88/80/26/1422888026.db2.gz XTPIERKHYUUQEY-ZDUSSCGKSA-N 0 0 385.851 3.013 20 30 GGEDRN COCCN(C(=O)CCCNC(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000154439527 1422888817 /nfs/dbraw/zinc/88/88/17/1422888817.db2.gz YEBUZFZCRPIPHS-UHFFFAOYSA-N 0 0 399.878 3.401 20 30 GGEDRN CC#CCNC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000154450037 1422890094 /nfs/dbraw/zinc/89/00/94/1422890094.db2.gz HKDJXQAQRWJPMP-ZDUSSCGKSA-N 0 0 397.525 3.413 20 30 GGEDRN C#CCCCCNC(=O)C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000154460436 1422891452 /nfs/dbraw/zinc/89/14/52/1422891452.db2.gz XQRKDFYQCVLCMZ-UHFFFAOYSA-N 0 0 378.476 3.388 20 30 GGEDRN COC(=O)[C@H](C)SCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000154458523 1422891534 /nfs/dbraw/zinc/89/15/34/1422891534.db2.gz BEONIEUQDLPSCB-ZDUSSCGKSA-N 0 0 389.452 3.338 20 30 GGEDRN C#CCCCCNC(=O)C(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1 ZINC000154460907 1422891588 /nfs/dbraw/zinc/89/15/88/1422891588.db2.gz ZXSYHSLVYVBPOP-UHFFFAOYSA-N 0 0 380.492 3.336 20 30 GGEDRN CC#CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000154460141 1422891605 /nfs/dbraw/zinc/89/16/05/1422891605.db2.gz XKLAUMZNXSXBEG-UHFFFAOYSA-N 0 0 375.428 3.310 20 30 GGEDRN COC(=O)[C@@H](C)SCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000154460498 1422891609 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COc1cccc(Cn2nccc2NC(=O)c2c(F)cc(C#N)cc2F)c1OC ZINC000154494929 1422896960 /nfs/dbraw/zinc/89/69/60/1422896960.db2.gz JYKSBKJTYRMGHH-UHFFFAOYSA-N 0 0 398.369 3.351 20 30 GGEDRN N#CCc1ccc(OC[C@@H](O)COc2ccccc2C(=O)NC2CCCC2)cc1 ZINC000154521846 1422899778 /nfs/dbraw/zinc/89/97/78/1422899778.db2.gz OUBHULVSSDXQPE-LJQANCHMSA-N 0 0 394.471 3.244 20 30 GGEDRN C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2c(Cl)cccc2[N+](=O)[O-])C1=O ZINC000154519432 1422899932 /nfs/dbraw/zinc/89/99/32/1422899932.db2.gz OPWPLRBTNZVKKD-GOSISDBHSA-N 0 0 384.779 3.087 20 30 GGEDRN Cc1c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cnn1CCC(C)C ZINC000154532899 1422908629 /nfs/dbraw/zinc/90/86/29/1422908629.db2.gz YXEQMXYOODMHMS-NRFANRHFSA-N 0 0 379.508 3.260 20 30 GGEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000154543410 1422917216 /nfs/dbraw/zinc/91/72/16/1422917216.db2.gz KEJGFZXAGUBPMG-GOEBONIOSA-N 0 0 392.459 3.497 20 30 GGEDRN Cc1ccc(OC[C@H](O)COc2ccc(C#N)cc2)c(C(=O)NCC(C)C)c1 ZINC000154553848 1422923803 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GGEDRN Cc1ccc(CNC(=O)N(C)Cc2cccc(C#N)c2)c(O[C@@H]2CCOC2)c1 ZINC000155209613 1423246022 /nfs/dbraw/zinc/24/60/22/1423246022.db2.gz HUWSRYSBRBRIKI-HXUWFJFHSA-N 0 0 379.460 3.376 20 30 GGEDRN Cn1cc(CN2CCN(c3ccc(C#N)cc3F)CC2)c(-c2cccs2)n1 ZINC000179888659 1429625733 /nfs/dbraw/zinc/62/57/33/1429625733.db2.gz HNDSXJMSSRORCS-UHFFFAOYSA-N 0 0 381.480 3.482 20 30 GGEDRN COc1ccc(NC(C)=O)cc1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000179891939 1429627030 /nfs/dbraw/zinc/62/70/30/1429627030.db2.gz VSFJRBWETDFXFB-SFHVURJKSA-N 0 0 378.432 3.133 20 30 GGEDRN N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cc2csc(-c3ccoc3)n2)CC1 ZINC000155235807 1423264375 /nfs/dbraw/zinc/26/43/75/1423264375.db2.gz SWQWFFXBTGXAIN-IBGZPJMESA-N 0 0 392.484 3.355 20 30 GGEDRN COc1ccc([C@@H](C#N)N2CCN(C(=O)[C@@H](C)Cc3ccccc3F)CC2)cc1 ZINC000155238592 1423266300 /nfs/dbraw/zinc/26/63/00/1423266300.db2.gz IVZLQCLKWXLLFO-HTAPYJJXSA-N 0 0 395.478 3.422 20 30 GGEDRN CC(C)(NCC(=O)Nc1cc(Cl)ccc1C#N)C(=O)NCC1CCCCC1 ZINC000155242183 1423268650 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Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000155258928 1423282349 /nfs/dbraw/zinc/28/23/49/1423282349.db2.gz WSUORXFZGBQRNM-INIZCTEOSA-N 0 0 392.503 3.274 20 30 GGEDRN C=CCn1c(COc2ccccc2)nnc1SCC(=O)N[C@](C)(C#N)C(C)C ZINC000155263080 1423284764 /nfs/dbraw/zinc/28/47/64/1423284764.db2.gz IETBCASKOOWBQO-HXUWFJFHSA-N 0 0 399.520 3.190 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000155264346 1423286062 /nfs/dbraw/zinc/28/60/62/1423286062.db2.gz LHMWAKFXBZWLIV-CYBMUJFWSA-N 0 0 393.411 3.168 20 30 GGEDRN Cc1c(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cccc1N1CCOC1=O ZINC000179896755 1429629269 /nfs/dbraw/zinc/62/92/69/1429629269.db2.gz YMKUYXXFYFBZPE-LJQANCHMSA-N 0 0 390.443 3.431 20 30 GGEDRN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1c(C)n[nH]c1C ZINC000155269163 1423289421 /nfs/dbraw/zinc/28/94/21/1423289421.db2.gz MGFHMISQTQOMOX-UHFFFAOYSA-N 0 0 398.492 3.114 20 30 GGEDRN CC(C)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000155277367 1423294464 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GGEDRN COCCCOc1cccc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000155285706 1423300383 /nfs/dbraw/zinc/30/03/83/1423300383.db2.gz WGFVVIGUJOIBRO-QHCPKHFHSA-N 0 0 379.504 3.484 20 30 GGEDRN C=CCCOCCNC(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000155294140 1423304081 /nfs/dbraw/zinc/30/40/81/1423304081.db2.gz HNGFVSKTUUXQBI-RQJZOYDLSA-N 0 0 376.541 3.053 20 30 GGEDRN COC(=O)C(C)(C)c1ccc(NC(=O)CCc2c(C)nn(CCC#N)c2C)cc1 ZINC000155303787 1423309512 /nfs/dbraw/zinc/30/95/12/1423309512.db2.gz PCJNOYNGNZEBGT-UHFFFAOYSA-N 0 0 396.491 3.436 20 30 GGEDRN CC(C)(NCc1nnc(-c2ccc(C#N)cc2)o1)C(=O)NCC1CCCCC1 ZINC000155306604 1423309608 /nfs/dbraw/zinc/30/96/08/1423309608.db2.gz XEFAUYYUFIUMJZ-UHFFFAOYSA-N 0 0 381.480 3.173 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)O[C@H]1CC[C@H](C#N)C1 ZINC000179900110 1429631028 /nfs/dbraw/zinc/63/10/28/1429631028.db2.gz NANCXMIYOWPDKZ-HOTGVXAUSA-N 0 0 376.478 3.019 20 30 GGEDRN Cc1nc(C#N)c(C#N)n1CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000155309324 1423311637 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381.276 3.243 20 30 GGEDRN C=CCn1c(-c2cccs2)nn(CN2CCC[C@@H](CNC(C)=O)C2)c1=S ZINC000155367129 1423335763 /nfs/dbraw/zinc/33/57/63/1423335763.db2.gz CDUQAZZFARFDKW-HNNXBMFYSA-N 0 0 391.566 3.134 20 30 GGEDRN N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)o1 ZINC000155376832 1423339285 /nfs/dbraw/zinc/33/92/85/1423339285.db2.gz RCHKAZXCFPSZID-WMLDXEAASA-N 0 0 394.349 3.258 20 30 GGEDRN Cc1ccc(NC(=O)CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000155379501 1423340946 /nfs/dbraw/zinc/34/09/46/1423340946.db2.gz SDPMFWGSXZKSBI-UHFFFAOYSA-N 0 0 385.851 3.432 20 30 GGEDRN N#Cc1ccc(C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1Cl ZINC000155383398 1423341809 /nfs/dbraw/zinc/34/18/09/1423341809.db2.gz RXIZWGJCEOWKMD-SFHVURJKSA-N 0 0 397.862 3.050 20 30 GGEDRN C[C@H](CC(=O)Nc1ccn(CCC#N)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000155394717 1423347005 /nfs/dbraw/zinc/34/70/05/1423347005.db2.gz GNZDWSNQCHFITG-CVEARBPZSA-N 0 0 389.500 3.409 20 30 GGEDRN N#Cc1ccc(CSCC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000155429110 1423359153 /nfs/dbraw/zinc/35/91/53/1423359153.db2.gz KBHCCDMKICEMJE-NHCUHLMSSA-N 0 0 396.512 3.143 20 30 GGEDRN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)O[C@H]2CC[C@H](C#N)C2)c(C)c1C ZINC000179909459 1429635189 /nfs/dbraw/zinc/63/51/89/1429635189.db2.gz LZYMKEFTQQZTES-ROUUACIJSA-N 0 0 392.521 3.133 20 30 GGEDRN C[C@@](C#N)(NC(=O)CN[C@H](c1ccccc1OC(F)F)C(F)(F)F)C1CC1 ZINC000179908750 1429635297 /nfs/dbraw/zinc/63/52/97/1429635297.db2.gz CYPKVOQPRQVSHL-ZBFHGGJFSA-N 0 0 391.340 3.289 20 30 GGEDRN N#Cc1ccc(CSCC(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000155429223 1423359823 /nfs/dbraw/zinc/35/98/23/1423359823.db2.gz KBHCCDMKICEMJE-RTWAWAEBSA-N 0 0 396.512 3.143 20 30 GGEDRN Cn1c(S[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc2ccccc2c1=O ZINC000179914280 1429637314 /nfs/dbraw/zinc/63/73/14/1429637314.db2.gz HGVSKTLXURJABV-SFHVURJKSA-N 0 0 390.468 3.093 20 30 GGEDRN Cn1c(S[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc2sccc2c1=O ZINC000179914481 1429637346 /nfs/dbraw/zinc/63/73/46/1429637346.db2.gz DNXNXUCTRRMOKP-OAHLLOKOSA-N 0 0 396.497 3.154 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@H]2COc2ccccc2)c1 ZINC000155440548 1423364849 /nfs/dbraw/zinc/36/48/49/1423364849.db2.gz OOORMHZQNSQTQQ-HNNXBMFYSA-N 0 0 383.835 3.220 20 30 GGEDRN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)O[C@H]2CC[C@@H](C#N)C2)c(C)c1C ZINC000179909493 1429635505 /nfs/dbraw/zinc/63/55/05/1429635505.db2.gz LZYMKEFTQQZTES-MSOLQXFVSA-N 0 0 392.521 3.133 20 30 GGEDRN C=CCn1c2ncn(Cc3ccc(C(=O)OC)s3)c(=O)c2sc1=S ZINC000155442833 1423365944 /nfs/dbraw/zinc/36/59/44/1423365944.db2.gz ACKAUWUYKBJZBU-UHFFFAOYSA-N 0 0 379.488 3.071 20 30 GGEDRN N#Cc1cc(NC(=O)N[C@@H](CO)Cc2ccccc2)ccc1OCC(F)(F)F ZINC000155448898 1423368272 /nfs/dbraw/zinc/36/82/72/1423368272.db2.gz NZOJSJVCGDQYTC-MRXNPFEDSA-N 0 0 393.365 3.224 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1C#N ZINC000155451641 1423370282 /nfs/dbraw/zinc/37/02/82/1423370282.db2.gz BQOPBXOCGSETTK-YLJYHZDGSA-N 0 0 395.434 3.059 20 30 GGEDRN C=C(Br)CNC(=O)C(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000155456231 1423371924 /nfs/dbraw/zinc/37/19/24/1423371924.db2.gz OGFOQXZXSIXPNY-UHFFFAOYSA-N 0 0 380.286 3.029 20 30 GGEDRN Cc1c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cnn1C1CCCC1 ZINC000155465351 1423375107 /nfs/dbraw/zinc/37/51/07/1423375107.db2.gz YUUAFWYHGKIBQY-NRFANRHFSA-N 0 0 377.492 3.329 20 30 GGEDRN COc1ccc([C@@H](C#N)N2CCN(C(=O)c3cc(C)c(F)c(C)c3)CC2)cc1 ZINC000155467589 1423376753 /nfs/dbraw/zinc/37/67/53/1423376753.db2.gz UIEULTZQFKBILY-HXUWFJFHSA-N 0 0 381.451 3.474 20 30 GGEDRN COc1ccc([C@H](C#N)N2CCN(C(=O)c3cc(C)c(F)c(C)c3)CC2)cc1 ZINC000155467475 1423377093 /nfs/dbraw/zinc/37/70/93/1423377093.db2.gz UIEULTZQFKBILY-FQEVSTJZSA-N 0 0 381.451 3.474 20 30 GGEDRN N#CCCN(CC(F)(F)F)C(=O)CCC(=O)N1CCSc2ccccc21 ZINC000155473036 1423378512 /nfs/dbraw/zinc/37/85/12/1423378512.db2.gz VHLTXBKVMPYHKH-UHFFFAOYSA-N 0 0 385.411 3.210 20 30 GGEDRN C[C@H]1C[N@H+](Cc2ccccc2)CCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824984550 1423379933 /nfs/dbraw/zinc/37/99/33/1423379933.db2.gz LIDVJNHSCDZKKZ-ZDUSSCGKSA-N 0 0 396.886 3.225 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](Sc3nnnn3C3CCCCC3)C2=O)cc1 ZINC000179912554 1429636839 /nfs/dbraw/zinc/63/68/39/1429636839.db2.gz SGENKWANPUGFMD-QGZVFWFLSA-N 0 0 382.493 3.338 20 30 GGEDRN COc1ccc(CNC(=O)[C@H](C#N)C(=O)Cc2ccccc2OC(C)C)cc1 ZINC000155488497 1423383961 /nfs/dbraw/zinc/38/39/61/1423383961.db2.gz XLNKMYPGQGYCJB-LJQANCHMSA-N 0 0 380.444 3.050 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C[C@@H](C)c2c(C)noc2C)cc1 ZINC000155510758 1423393112 /nfs/dbraw/zinc/39/31/12/1423393112.db2.gz DQRQIARWCFHNNU-CYBMUJFWSA-N 0 0 391.493 3.230 20 30 GGEDRN CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)CNc1cccc(C#N)c1 ZINC000155527460 1423400429 /nfs/dbraw/zinc/40/04/29/1423400429.db2.gz VJSZKKOKAIYZCL-UHFFFAOYSA-N 0 0 387.487 3.462 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](Sc3ncn(-c4ccccc4)n3)C2=O)cc1 ZINC000179915270 1429638452 /nfs/dbraw/zinc/63/84/52/1429638452.db2.gz RVAPNSVAZMSPPV-GOSISDBHSA-N 0 0 375.457 3.427 20 30 GGEDRN CC(C)OCCCNC(=O)[C@H](C#N)C(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000155539995 1423408484 /nfs/dbraw/zinc/40/84/84/1423408484.db2.gz VHEQJLZHFDVUPO-XJKSGUPXSA-N 0 0 395.297 3.193 20 30 GGEDRN CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000155558309 1423417280 /nfs/dbraw/zinc/41/72/80/1423417280.db2.gz DCGGWTPBSIBMPX-UHFFFAOYSA-N 0 0 383.814 3.391 20 30 GGEDRN N#C[C@@H](C(=O)Nc1ccccc1)C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000155569257 1423424171 /nfs/dbraw/zinc/42/41/71/1423424171.db2.gz PBCZDUWPNPPIJB-IUODEOHRSA-N 0 0 399.809 3.180 20 30 GGEDRN COCCn1c(C)c(C)nc1S[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000179919316 1429640565 /nfs/dbraw/zinc/64/05/65/1429640565.db2.gz CAIARBQCRFZVLQ-SFHVURJKSA-N 0 0 384.505 3.306 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1Cc1csc(Cc2ccccc2)n1 ZINC000155576956 1423427567 /nfs/dbraw/zinc/42/75/67/1423427567.db2.gz FKDOEZKXOFJAMJ-INIZCTEOSA-N 0 0 390.516 3.106 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1(c2cccs2)CCCCC1 ZINC000155577339 1423428075 /nfs/dbraw/zinc/42/80/75/1423428075.db2.gz MZEIXOYWKYAVBB-INIZCTEOSA-N 0 0 395.532 3.349 20 30 GGEDRN CC(C)Sc1ccccc1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000155581028 1423430212 /nfs/dbraw/zinc/43/02/12/1423430212.db2.gz SMKGPESLEXSUQZ-OAHLLOKOSA-N 0 0 381.505 3.200 20 30 GGEDRN CC[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)c1c(C)noc1C ZINC000155582509 1423431548 /nfs/dbraw/zinc/43/15/48/1423431548.db2.gz YFJIYVUIDLBUHN-HNNXBMFYSA-N 0 0 384.436 3.156 20 30 GGEDRN N#CCCN(C(=O)CCC(=O)N1CCC[C@@H]1[C@@H]1CCCCC1=O)c1ccccc1 ZINC000155590977 1423434407 /nfs/dbraw/zinc/43/44/07/1423434407.db2.gz WBRSEKOBARNTHN-VQTJNVASSA-N 0 0 395.503 3.464 20 30 GGEDRN N#CCCN(C(=O)CCC(=O)N1CCC[C@H]1[C@H]1CCCCC1=O)c1ccccc1 ZINC000155591323 1423434922 /nfs/dbraw/zinc/43/49/22/1423434922.db2.gz WBRSEKOBARNTHN-UXHICEINSA-N 0 0 395.503 3.464 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000155594473 1423435765 /nfs/dbraw/zinc/43/57/65/1423435765.db2.gz GDELVAQGZSISHB-MRXNPFEDSA-N 0 0 393.466 3.036 20 30 GGEDRN C#CCNC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 ZINC000155592412 1423436029 /nfs/dbraw/zinc/43/60/29/1423436029.db2.gz ZGGDYTCWXCOIED-LBPRGKRZSA-N 0 0 386.864 3.411 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000155594582 1423436132 /nfs/dbraw/zinc/43/61/32/1423436132.db2.gz GDELVAQGZSISHB-INIZCTEOSA-N 0 0 393.466 3.036 20 30 GGEDRN N#CCSc1cccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000155604462 1423441292 /nfs/dbraw/zinc/44/12/92/1423441292.db2.gz NYFATLDBDFESIC-AZUAARDMSA-N 0 0 382.485 3.267 20 30 GGEDRN CC[C@H](C)[C@@H](C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccccc1 ZINC000155607303 1423442648 /nfs/dbraw/zinc/44/26/48/1423442648.db2.gz SLWXBPQHUGVBKL-ABSDTBQOSA-N 0 0 377.492 3.215 20 30 GGEDRN CCc1c(C(=O)N2CCN(c3ccccc3C#N)CC2)cnn1Cc1ccccc1 ZINC000155612069 1423445034 /nfs/dbraw/zinc/44/50/34/1423445034.db2.gz APXCDSQYOHAMKN-UHFFFAOYSA-N 0 0 399.498 3.328 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000155619323 1423450125 /nfs/dbraw/zinc/45/01/25/1423450125.db2.gz HGOUCXFDCRWFHW-OAHLLOKOSA-N 0 0 397.910 3.308 20 30 GGEDRN CSc1nc(C(C)C)nc(C)c1C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000155618631 1423450347 /nfs/dbraw/zinc/45/03/47/1423450347.db2.gz RRWWLZHQGLDCMB-UHFFFAOYSA-N 0 0 395.532 3.464 20 30 GGEDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000155624042 1423452466 /nfs/dbraw/zinc/45/24/66/1423452466.db2.gz ZUBLHSZBVFDOMM-HNNXBMFYSA-N 0 0 396.472 3.296 20 30 GGEDRN CN(Cc1cn2ccccc2c1C#N)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000155624620 1423453726 /nfs/dbraw/zinc/45/37/26/1423453726.db2.gz XLRLEIFNAYEXBD-GOSISDBHSA-N 0 0 385.876 3.425 20 30 GGEDRN CCCCCCCC(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1 ZINC000155646992 1423466472 /nfs/dbraw/zinc/46/64/72/1423466472.db2.gz AYCRRVDTQVAULG-UHFFFAOYSA-N 0 0 375.513 3.138 20 30 GGEDRN N#C[C@@H](C(=O)Nc1ccc(F)cc1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000155666471 1423476045 /nfs/dbraw/zinc/47/60/45/1423476045.db2.gz TXEMJHZMUQZCNM-CYBMUJFWSA-N 0 0 382.420 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GGEDRN C[C@H](NC(=O)CCc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000155864454 1423567124 /nfs/dbraw/zinc/56/71/24/1423567124.db2.gz GODPUDSMZFBSTI-KRWDZBQOSA-N 0 0 390.487 3.234 20 30 GGEDRN Cc1ccccc1[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CCO1 ZINC000155869189 1423569969 /nfs/dbraw/zinc/56/99/69/1423569969.db2.gz SVXLPNZYPUSLDB-GOSISDBHSA-N 0 0 383.835 3.059 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCCN(CC(F)(F)F)CC1 ZINC000155877088 1423571748 /nfs/dbraw/zinc/57/17/48/1423571748.db2.gz UXGMJNFHNYIKLU-OAHLLOKOSA-N 0 0 389.487 3.221 20 30 GGEDRN N#CCSc1cccc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000155890472 1423579589 /nfs/dbraw/zinc/57/95/89/1423579589.db2.gz WESRFVUQJKTQAW-UHFFFAOYSA-N 0 0 391.500 3.137 20 30 GGEDRN C[C@@H](C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)c1cccs1 ZINC000155925304 1423596777 /nfs/dbraw/zinc/59/67/77/1423596777.db2.gz YTSIBTAZYGALEW-CYBMUJFWSA-N 0 0 397.479 3.379 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)n2)cc1 ZINC000179953098 1429660661 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N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(Cl)cc2OC(F)F)cc1 ZINC000155977581 1423617505 /nfs/dbraw/zinc/61/75/05/1423617505.db2.gz ZISHSKZGTKNEFJ-UHFFFAOYSA-N 0 0 379.750 3.182 20 30 GGEDRN COc1cccc2cc(C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)oc21 ZINC000155980492 1423619240 /nfs/dbraw/zinc/61/92/40/1423619240.db2.gz QSMDSHDANBSXMJ-UHFFFAOYSA-N 0 0 379.391 3.415 20 30 GGEDRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)O[C@@H]3CC[C@H](C#N)C3)c2)C1 ZINC000179948042 1429657350 /nfs/dbraw/zinc/65/73/50/1429657350.db2.gz DRQSGZVINRHKSF-UIBIWLFHSA-N 0 0 390.505 3.202 20 30 GGEDRN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000155990804 1423624272 /nfs/dbraw/zinc/62/42/72/1423624272.db2.gz AZYSQGFGGGFOMU-QAPCUYQASA-N 0 0 381.480 3.199 20 30 GGEDRN CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000155999648 1423626948 /nfs/dbraw/zinc/62/69/48/1423626948.db2.gz VJLZIDIIXPRPEB-HNNXBMFYSA-N 0 0 393.827 3.343 20 30 GGEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)CN2CCOCC2)cc1 ZINC000156004437 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C#CCCCCNC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC000156206234 1423725150 /nfs/dbraw/zinc/72/51/50/1423725150.db2.gz RMLKMIQEPOKWMN-UHFFFAOYSA-N 0 0 376.522 3.173 20 30 GGEDRN C#CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000156207006 1423725304 /nfs/dbraw/zinc/72/53/04/1423725304.db2.gz GDZBAPCAZVMAJR-UHFFFAOYSA-N 0 0 390.549 3.130 20 30 GGEDRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H]1CC[C@H](C#N)C1 ZINC000179965665 1429666305 /nfs/dbraw/zinc/66/63/05/1429666305.db2.gz ULUNSODXKKKIRS-ZENOOKHLSA-N 0 0 380.897 3.427 20 30 GGEDRN CC(C)CO[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000156213201 1423730001 /nfs/dbraw/zinc/73/00/01/1423730001.db2.gz BSBSTOVNYQIUSS-MSOLQXFVSA-N 0 0 388.487 3.123 20 30 GGEDRN CC(C)CO[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000156213085 1423730056 /nfs/dbraw/zinc/73/00/56/1423730056.db2.gz BSBSTOVNYQIUSS-QZTJIDSGSA-N 0 0 388.487 3.123 20 30 GGEDRN C=C(C)Cn1c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc1-c1ccncc1 ZINC000156222644 1423733600 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GGEDRN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000156468467 1423813975 /nfs/dbraw/zinc/81/39/75/1423813975.db2.gz QCBXKVMTDRFLMG-MRXNPFEDSA-N 0 0 378.476 3.109 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](Nc3cc(F)cc(N4CCOCC4)c3)C2=O)cc1 ZINC000179982167 1429674024 /nfs/dbraw/zinc/67/40/24/1429674024.db2.gz KLIVUDQFIWWESE-OAQYLSRUSA-N 0 0 394.450 3.141 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000156477035 1423815509 /nfs/dbraw/zinc/81/55/09/1423815509.db2.gz BTSOUTYHYBQHRU-HUUCEWRRSA-N 0 0 383.423 3.099 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](Nc3cc(F)cc(N4CCOCC4)c3)C2=O)cc1 ZINC000179982156 1429674224 /nfs/dbraw/zinc/67/42/24/1429674224.db2.gz KLIVUDQFIWWESE-NRFANRHFSA-N 0 0 394.450 3.141 20 30 GGEDRN CCOC(=O)COc1ccc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 ZINC000156485652 1423816680 /nfs/dbraw/zinc/81/66/80/1423816680.db2.gz MRJWFHWHFRCAEL-QFIPXVFZSA-N 0 0 393.487 3.011 20 30 GGEDRN COC(=O)[C@H](C)Oc1ccc(CN2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000156486885 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20 30 GGEDRN CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cccc(C)c1C(=O)OC ZINC000156524483 1423822857 /nfs/dbraw/zinc/82/28/57/1423822857.db2.gz GZGRSDUTAZZVMW-OAHLLOKOSA-N 0 0 386.473 3.425 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)NCCc2nnc(-c3ccccc3)o2)cc1 ZINC000156530044 1423823376 /nfs/dbraw/zinc/82/33/76/1423823376.db2.gz FYWAWSOIYOOSEP-UHFFFAOYSA-N 0 0 391.431 3.017 20 30 GGEDRN CCN(C(=O)CN1c2ccccc2O[C@@H](C)C1=O)c1ccc(C#N)c(Cl)c1 ZINC000156529957 1423823415 /nfs/dbraw/zinc/82/34/15/1423823415.db2.gz JZWIZBNTWMMHSG-ZDUSSCGKSA-N 0 0 383.835 3.379 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000156550590 1423826972 /nfs/dbraw/zinc/82/69/72/1423826972.db2.gz PPDGCPWLVIPCKE-GOSISDBHSA-N 0 0 394.446 3.258 20 30 GGEDRN C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc2c(c1)CCC(=O)N2 ZINC000156559462 1423828254 /nfs/dbraw/zinc/82/82/54/1423828254.db2.gz ZZISOQRQRNBUNG-NSHDSACASA-N 0 0 389.864 3.136 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1cccc(NC(=O)C2CC2)c1 ZINC000156563520 1423829187 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3.252 20 30 GGEDRN C[C@H](C(=O)N[C@@](C)(C#N)CCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000156582739 1423832436 /nfs/dbraw/zinc/83/24/36/1423832436.db2.gz CLRBDOWQOBUEPL-FOIQADDNSA-N 0 0 388.464 3.019 20 30 GGEDRN COCCCOc1cccc(CNS(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000156585578 1423832776 /nfs/dbraw/zinc/83/27/76/1423832776.db2.gz PUUVNWFSBNYXEE-UHFFFAOYSA-N 0 0 394.880 3.105 20 30 GGEDRN C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000156591443 1423833042 /nfs/dbraw/zinc/83/30/42/1423833042.db2.gz LSVAJEUYMASSOK-JTSKRJEESA-N 0 0 379.460 3.333 20 30 GGEDRN C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000156591582 1423833096 /nfs/dbraw/zinc/83/30/96/1423833096.db2.gz LSVAJEUYMASSOK-VGSWGCGISA-N 0 0 379.460 3.333 20 30 GGEDRN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000156593866 1423833622 /nfs/dbraw/zinc/83/36/22/1423833622.db2.gz MICHGFAGYPFSJF-LJQANCHMSA-N 0 0 382.376 3.456 20 30 GGEDRN C#CCOc1ccc(C(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)cc1 ZINC000156595938 1423833825 /nfs/dbraw/zinc/83/38/25/1423833825.db2.gz ZMFSONLSCDFCJJ-UHFFFAOYSA-N 0 0 399.450 3.300 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 ZINC000156600825 1423834488 /nfs/dbraw/zinc/83/44/88/1423834488.db2.gz JVADDXOEKJCQLL-QGZVFWFLSA-N 0 0 380.419 3.133 20 30 GGEDRN N#CCN(CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)C1CCCC1 ZINC000156601672 1423834750 /nfs/dbraw/zinc/83/47/50/1423834750.db2.gz LYCGWGRFEFLFLF-MRXNPFEDSA-N 0 0 394.397 3.061 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)NCCCCOCCc1ccccc1 ZINC000156614481 1423835912 /nfs/dbraw/zinc/83/59/12/1423835912.db2.gz CFPVNZOKJGGGEM-UHFFFAOYSA-N 0 0 376.453 3.015 20 30 GGEDRN Cc1ccc(N2CCC[C@H]2COC(=O)CSCc2ccc(C#N)cc2)nn1 ZINC000156615127 1423836277 /nfs/dbraw/zinc/83/62/77/1423836277.db2.gz JYNZEKYRCGXFIV-SFHVURJKSA-N 0 0 382.489 3.102 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000156617277 1423836348 /nfs/dbraw/zinc/83/63/48/1423836348.db2.gz HHRITCQLNGXFPQ-LBPRGKRZSA-N 0 0 388.345 3.108 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000156621858 1423837305 /nfs/dbraw/zinc/83/73/05/1423837305.db2.gz ZWDZAYDYXLLBOF-UHFFFAOYSA-N 0 0 397.431 3.150 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000156630697 1423838303 /nfs/dbraw/zinc/83/83/03/1423838303.db2.gz JTTQSXJNCXTNKU-MRXNPFEDSA-N 0 0 389.471 3.244 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)CCc1nc(-c2ccc(OC)cc2)no1 ZINC000156645985 1423840217 /nfs/dbraw/zinc/84/02/17/1423840217.db2.gz LOKLDDVRLXEFCC-UHFFFAOYSA-N 0 0 395.390 3.468 20 30 GGEDRN Cc1nn(-c2ccccc2)c(CN2CCN(C(=O)c3ccccc3)CC2)c1C#N ZINC000156647358 1423840611 /nfs/dbraw/zinc/84/06/11/1423840611.db2.gz RLXDGVAJIWHEDA-UHFFFAOYSA-N 0 0 385.471 3.010 20 30 GGEDRN N#Cc1ccc(N2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)nc1 ZINC000179986444 1429676337 /nfs/dbraw/zinc/67/63/37/1429676337.db2.gz OEFKLTPPWSYGEP-UHFFFAOYSA-N 0 0 389.415 3.444 20 30 GGEDRN N#C[C@H](C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000156653857 1423841746 /nfs/dbraw/zinc/84/17/46/1423841746.db2.gz SIBYWMIPTVYZMR-CYBMUJFWSA-N 0 0 393.325 3.422 20 30 GGEDRN C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1 ZINC000179987263 1429676377 /nfs/dbraw/zinc/67/63/77/1429676377.db2.gz XZLVQTOYQKNQNL-NSHDSACASA-N 0 0 382.420 3.317 20 30 GGEDRN N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cc(Cl)cc(Br)c1 ZINC000156657078 1423842537 /nfs/dbraw/zinc/84/25/37/1423842537.db2.gz JOYFFPLRVBFUEP-LBPRGKRZSA-N 0 0 378.613 3.459 20 30 GGEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000156659175 1423843051 /nfs/dbraw/zinc/84/30/51/1423843051.db2.gz ODDDAZLBALOMKJ-KRWDZBQOSA-N 0 0 383.429 3.307 20 30 GGEDRN Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c(O[C@H]2CCOC2)c1 ZINC000156674107 1423845974 /nfs/dbraw/zinc/84/59/74/1423845974.db2.gz VXZUOUXSYQGIDQ-UZLBHIALSA-N 0 0 380.444 3.118 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000156684098 1423847643 /nfs/dbraw/zinc/84/76/43/1423847643.db2.gz FCJJKDQPBWKMOR-UHFFFAOYSA-N 0 0 380.379 3.252 20 30 GGEDRN C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1 ZINC000179987250 1429676932 /nfs/dbraw/zinc/67/69/32/1429676932.db2.gz XZLVQTOYQKNQNL-LLVKDONJSA-N 0 0 382.420 3.317 20 30 GGEDRN Cc1cnn(-c2ccncc2NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 ZINC000156690264 1423848740 /nfs/dbraw/zinc/84/87/40/1423848740.db2.gz QJLDIRHCDJNNSP-UHFFFAOYSA-N 0 0 392.488 3.498 20 30 GGEDRN CCn1c(SCC(=O)N(C)C2(C#N)CCCCC2)nnc1-c1ccccn1 ZINC000156706726 1423851859 /nfs/dbraw/zinc/85/18/59/1423851859.db2.gz FHBUHIQLSYBWBT-UHFFFAOYSA-N 0 0 384.509 3.137 20 30 GGEDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000156726772 1423854884 /nfs/dbraw/zinc/85/48/84/1423854884.db2.gz KYLFATWVWXPCOA-UHFFFAOYSA-N 0 0 377.397 3.205 20 30 GGEDRN N#C[C@@H]1CC[C@@H](OC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000179988960 1429677545 /nfs/dbraw/zinc/67/75/45/1429677545.db2.gz PKXYFECYSHJEQH-PRHODGIISA-N 0 0 386.145 3.048 20 30 GGEDRN N#CCN(CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)C1CCCC1 ZINC000156736862 1423856579 /nfs/dbraw/zinc/85/65/79/1423856579.db2.gz RXSFZEVDEGHSHE-UHFFFAOYSA-N 0 0 383.492 3.111 20 30 GGEDRN CC[C@]1(c2ccc(C)cc2)CC(=O)N(CN(CCC#N)CC(F)(F)F)C1=O ZINC000156734562 1423856700 /nfs/dbraw/zinc/85/67/00/1423856700.db2.gz LLHUQGPICCLXKK-GOSISDBHSA-N 0 0 381.398 3.137 20 30 GGEDRN CCO[C@@H]1C[C@H](N(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C12CCCCC2 ZINC000156748709 1423858757 /nfs/dbraw/zinc/85/87/57/1423858757.db2.gz HZVGRGORSJKJHU-VQTJNVASSA-N 0 0 399.535 3.382 20 30 GGEDRN COc1cc(OCC(=O)N(C)c2cc(Cl)ccc2C#N)ccc1[N+](=O)[O-] ZINC000156752197 1423859496 /nfs/dbraw/zinc/85/94/96/1423859496.db2.gz CFXASFCKMPZYCF-UHFFFAOYSA-N 0 0 375.768 3.170 20 30 GGEDRN N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CCOC3(CCCC3)C2)CC1 ZINC000156763255 1423860372 /nfs/dbraw/zinc/86/03/72/1423860372.db2.gz OUKZUXILYUKQAJ-IBGZPJMESA-N 0 0 382.508 3.272 20 30 GGEDRN COc1ccccc1N1CC[C@H](NC(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000156776350 1423862787 /nfs/dbraw/zinc/86/27/87/1423862787.db2.gz DMPWEYHMYXAILK-MZEUMTGBSA-N 0 0 377.444 3.006 20 30 GGEDRN C=CCOc1cc(OC)ccc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000156776824 1423862841 /nfs/dbraw/zinc/86/28/41/1423862841.db2.gz YXPKSLWZTQUCLI-NRFANRHFSA-N 0 0 391.471 3.283 20 30 GGEDRN Cc1ccc(CNC(=O)/C=C/c2ccc(OCC#N)cc2)c(O[C@H]2CCOC2)c1 ZINC000156777555 1423863339 /nfs/dbraw/zinc/86/33/39/1423863339.db2.gz AXNSNCFEABEXHV-OWLMGLOSSA-N 0 0 392.455 3.395 20 30 GGEDRN C=CCN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000156797736 1423866611 /nfs/dbraw/zinc/86/66/11/1423866611.db2.gz YFSLQNAKCCGKON-HXUWFJFHSA-N 0 0 395.484 3.117 20 30 GGEDRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)C(=O)NC[C@@H](C)C#N)c1C ZINC000179990509 1429678672 /nfs/dbraw/zinc/67/86/72/1429678672.db2.gz ACNIXABCLMKBSK-VIFPVBQESA-N 0 0 394.262 3.010 20 30 GGEDRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)C(=O)NC[C@H](C)C#N)c1C ZINC000179990525 1429678735 /nfs/dbraw/zinc/67/87/35/1429678735.db2.gz ACNIXABCLMKBSK-SECBINFHSA-N 0 0 394.262 3.010 20 30 GGEDRN CC(C)N(CCS(C)(=O)=O)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000156814721 1423869246 /nfs/dbraw/zinc/86/92/46/1423869246.db2.gz RVWUIIWXEREILY-UHFFFAOYSA-N 0 0 386.473 3.246 20 30 GGEDRN C=CCCCCCN(C)C(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C ZINC000156823344 1423870534 /nfs/dbraw/zinc/87/05/34/1423870534.db2.gz AGXBUXQYCXHAGK-KRWDZBQOSA-N 0 0 395.569 3.264 20 30 GGEDRN N#CCOc1cccc(CNC(=O)c2ccc(-n3cnc4ccccc43)nc2)c1 ZINC000156836075 1423872420 /nfs/dbraw/zinc/87/24/20/1423872420.db2.gz HUOFWJCYPPMXDI-UHFFFAOYSA-N 0 0 383.411 3.253 20 30 GGEDRN C=CCCCCCN(C)C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000156834296 1423872626 /nfs/dbraw/zinc/87/26/26/1423872626.db2.gz YCDJBIMWXNZDPU-KRWDZBQOSA-N 0 0 384.476 3.280 20 30 GGEDRN CN(C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)c1cc(Cl)ccc1C#N ZINC000156871706 1423878193 /nfs/dbraw/zinc/87/81/93/1423878193.db2.gz OHXNEPUIZLFSKV-UHFFFAOYSA-N 0 0 398.818 3.413 20 30 GGEDRN CN(C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)c1cc(Cl)ccc1C#N ZINC000156869414 1423878263 /nfs/dbraw/zinc/87/82/63/1423878263.db2.gz MDSUYQSQYFPHHW-MRXNPFEDSA-N 0 0 382.851 3.122 20 30 GGEDRN COc1ccccc1N1C[C@H](C(=O)N(C)c2cc(Cl)ccc2C#N)CC1=O ZINC000156880319 1423879586 /nfs/dbraw/zinc/87/95/86/1423879586.db2.gz SLPUOBWNRCIJHQ-CQSZACIVSA-N 0 0 383.835 3.236 20 30 GGEDRN CN(C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1)c1cc(Cl)ccc1C#N ZINC000156887804 1423880731 /nfs/dbraw/zinc/88/07/31/1423880731.db2.gz FDAOUSXEAZHYKP-UHFFFAOYSA-N 0 0 395.868 3.158 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Cl ZINC000156888004 1423881049 /nfs/dbraw/zinc/88/10/49/1423881049.db2.gz UNOLYXGNVNSWAA-UHFFFAOYSA-N 0 0 398.806 3.250 20 30 GGEDRN COc1ccc(CN2C[C@@H](C(=O)N(C)c3cc(Cl)ccc3C#N)CC2=O)cc1 ZINC000156897835 1423882401 /nfs/dbraw/zinc/88/24/01/1423882401.db2.gz INSXTHCXALGJCM-INIZCTEOSA-N 0 0 397.862 3.232 20 30 GGEDRN COc1cc(C#N)ccc1OCCN(c1ccc(Cl)cc1F)S(C)(=O)=O ZINC000156919857 1423886113 /nfs/dbraw/zinc/88/61/13/1423886113.db2.gz JDAUBNFPFHUJHN-UHFFFAOYSA-N 0 0 398.843 3.204 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000156928965 1423887600 /nfs/dbraw/zinc/88/76/00/1423887600.db2.gz BZKXPSJNIMQSHB-HNNXBMFYSA-N 0 0 386.477 3.325 20 30 GGEDRN C[C@@H](C#N)CNC(=O)C(=O)Nc1ccnn1[C@H](C)c1cc(Cl)ccc1Cl ZINC000179994719 1429680150 /nfs/dbraw/zinc/68/01/50/1429680150.db2.gz SQPJYQOZKGBRNR-WDEREUQCSA-N 0 0 394.262 3.014 20 30 GGEDRN CC[C@H](CC#N)NC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000156929117 1423887823 /nfs/dbraw/zinc/88/78/23/1423887823.db2.gz BZKXPSJNIMQSHB-OAHLLOKOSA-N 0 0 386.477 3.325 20 30 GGEDRN C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)C(=O)NC[C@H](C)C#N ZINC000179994711 1429680179 /nfs/dbraw/zinc/68/01/79/1429680179.db2.gz SQPJYQOZKGBRNR-GHMZBOCLSA-N 0 0 394.262 3.014 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000156932415 1423888953 /nfs/dbraw/zinc/88/89/53/1423888953.db2.gz HIGUYFLPNRWKPB-UHFFFAOYSA-N 0 0 378.494 3.120 20 30 GGEDRN CC[C@H](CC#N)NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000156941484 1423890366 /nfs/dbraw/zinc/89/03/66/1423890366.db2.gz KYILZCAFJBFSDH-CYBMUJFWSA-N 0 0 398.916 3.328 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000156948778 1423892106 /nfs/dbraw/zinc/89/21/06/1423892106.db2.gz ORBIAUAWCSEDCB-HNNXBMFYSA-N 0 0 392.525 3.454 20 30 GGEDRN N#Cc1ccccc1S(=O)(=O)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000156972584 1423895791 /nfs/dbraw/zinc/89/57/91/1423895791.db2.gz ZXYVQXVLAIKOFL-UHFFFAOYSA-N 0 0 383.404 3.363 20 30 GGEDRN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000156987044 1423897721 /nfs/dbraw/zinc/89/77/21/1423897721.db2.gz XNPLYWSBUJXWKY-AEFFLSMTSA-N 0 0 385.508 3.259 20 30 GGEDRN COc1cc(C#N)ccc1OCCONC(=O)Cc1cccc2ccccc21 ZINC000156987263 1423897908 /nfs/dbraw/zinc/89/79/08/1423897908.db2.gz DIFCRKCTPHUUSI-UHFFFAOYSA-N 0 0 376.412 3.389 20 30 GGEDRN Cc1ccc2nc(-c3ccc(NC(=O)C(=O)NC[C@H](C)C#N)cc3)sc2c1 ZINC000179996202 1429681217 /nfs/dbraw/zinc/68/12/17/1429681217.db2.gz BBWDZWHLSIZXAX-CYBMUJFWSA-N 0 0 378.457 3.486 20 30 GGEDRN N#Cc1cccc(COc2cccc(CN(C3CC3)[C@H]3CCS(=O)(=O)C3)c2)c1 ZINC000157072606 1423917865 /nfs/dbraw/zinc/91/78/65/1423917865.db2.gz KKVZITJNCMHTMH-NRFANRHFSA-N 0 0 396.512 3.289 20 30 GGEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000157085642 1423921533 /nfs/dbraw/zinc/92/15/33/1423921533.db2.gz QJZXWLUDCBNAEV-MRXNPFEDSA-N 0 0 395.406 3.452 20 30 GGEDRN Cc1ccc(C(=O)N2CCN(Cc3ccc(O[C@H](C)C#N)cc3)CC2)cc1F ZINC000179999042 1429682809 /nfs/dbraw/zinc/68/28/09/1429682809.db2.gz BEFWVELXQRHJHY-QGZVFWFLSA-N 0 0 381.451 3.383 20 30 GGEDRN C=C(C)CN(CC)C(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000157091953 1423923366 /nfs/dbraw/zinc/92/33/66/1423923366.db2.gz HJLGIXPLLZVULB-UHFFFAOYSA-N 0 0 389.481 3.390 20 30 GGEDRN N#Cc1cc(F)ccc1S(=O)(=O)Oc1cccc(OCC(F)(F)F)c1 ZINC000157097842 1423924943 /nfs/dbraw/zinc/92/49/43/1423924943.db2.gz CDMOYXWGUFURNQ-UHFFFAOYSA-N 0 0 375.299 3.406 20 30 GGEDRN N#CCc1ccc(NC(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000157099879 1423925961 /nfs/dbraw/zinc/92/59/61/1423925961.db2.gz TUODZBYTVUNKRP-UHFFFAOYSA-N 0 0 397.910 3.350 20 30 GGEDRN C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 ZINC000180001588 1429683371 /nfs/dbraw/zinc/68/33/71/1429683371.db2.gz BAXBQDSPCSQJPX-CYBMUJFWSA-N 0 0 392.390 3.381 20 30 GGEDRN Cc1cc(C)n(Cc2cccc(C(N)=NO[C@H](C)c3nc(C(C)C)no3)c2)n1 ZINC000157111648 1423928154 /nfs/dbraw/zinc/92/81/54/1423928154.db2.gz NPTFCCSIKHDXQH-OAHLLOKOSA-N 0 0 382.468 3.453 20 30 GGEDRN C=CCCCNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 ZINC000157132902 1423933601 /nfs/dbraw/zinc/93/36/01/1423933601.db2.gz PJQGNADMURAKHE-UHFFFAOYSA-N 0 0 393.553 3.076 20 30 GGEDRN COc1ccccc1[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1noc(C)n1 ZINC000157135814 1423934326 /nfs/dbraw/zinc/93/43/26/1423934326.db2.gz SPZYXHGZCQLDAO-QGZVFWFLSA-N 0 0 382.807 3.431 20 30 GGEDRN COc1ccccc1[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1noc(C)n1 ZINC000157135952 1423934574 /nfs/dbraw/zinc/93/45/74/1423934574.db2.gz SPZYXHGZCQLDAO-KRWDZBQOSA-N 0 0 382.807 3.431 20 30 GGEDRN N#CCOc1ccccc1C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000157140000 1423935501 /nfs/dbraw/zinc/93/55/01/1423935501.db2.gz XMQFFUAGWNOWOQ-UHFFFAOYSA-N 0 0 387.321 3.441 20 30 GGEDRN N#Cc1cccc(NCC(=O)NCCCc2nc(-c3ccncc3)cs2)c1 ZINC000157150978 1423938251 /nfs/dbraw/zinc/93/82/51/1423938251.db2.gz WNBMBTQZYINCLT-UHFFFAOYSA-N 0 0 377.473 3.238 20 30 GGEDRN C[C@H](C#N)Oc1ccc(CN2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000180002453 1429684382 /nfs/dbraw/zinc/68/43/82/1429684382.db2.gz RYSLGXULMCJSGQ-QGZVFWFLSA-N 0 0 381.451 3.465 20 30 GGEDRN CN(C)c1nc2cc(N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc2o1 ZINC000180002837 1429684988 /nfs/dbraw/zinc/68/49/88/1429684988.db2.gz WGBTVVAMMPTEHF-QGZVFWFLSA-N 0 0 375.432 3.373 20 30 GGEDRN CN(CC#Cc1cccc(Cl)c1)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000157172118 1423943962 /nfs/dbraw/zinc/94/39/62/1423943962.db2.gz HKADZJADJJUASR-UHFFFAOYSA-N 0 0 391.920 3.496 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)ccc1F ZINC000157183674 1423947553 /nfs/dbraw/zinc/94/75/53/1423947553.db2.gz WOZUTVQKUPIYLI-ABAIWWIYSA-N 0 0 375.762 3.101 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)ccc1F ZINC000157184146 1423948467 /nfs/dbraw/zinc/94/84/67/1423948467.db2.gz WOZUTVQKUPIYLI-XHDPSFHLSA-N 0 0 375.762 3.101 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)ccc1F ZINC000157183988 1423948757 /nfs/dbraw/zinc/94/87/57/1423948757.db2.gz WOZUTVQKUPIYLI-IAQYHMDHSA-N 0 0 375.762 3.101 20 30 GGEDRN N#Cc1ccc(OCCNc2ccc(CC(=O)N3CCSCC3)cc2)cc1 ZINC000157197659 1423952512 /nfs/dbraw/zinc/95/25/12/1423952512.db2.gz HULGLRHWMHJPNC-UHFFFAOYSA-N 0 0 381.501 3.167 20 30 GGEDRN COCCSc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2C#N)cc1 ZINC000157217713 1423958051 /nfs/dbraw/zinc/95/80/51/1423958051.db2.gz IWEZUVPOLUKAPT-CYBMUJFWSA-N 0 0 394.493 3.475 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCOC4(CCCC4)C3)CC2)c(F)c1 ZINC000157220853 1423959329 /nfs/dbraw/zinc/95/93/29/1423959329.db2.gz AHJHBYDAOOFIFE-KRWDZBQOSA-N 0 0 386.471 3.021 20 30 GGEDRN C#Cc1cccc(NC(=O)NCC(=O)Nc2cc(Br)ccc2C)c1 ZINC000157232939 1423961746 /nfs/dbraw/zinc/96/17/46/1423961746.db2.gz DBECMBFDNWPGEM-UHFFFAOYSA-N 0 0 386.249 3.499 20 30 GGEDRN CN(C)C(=O)COc1cccc(C(=O)/C=C/c2cccc(-n3cccn3)c2)c1 ZINC000157241010 1423964144 /nfs/dbraw/zinc/96/41/44/1423964144.db2.gz USDFUYLANDXAIV-ZHACJKMWSA-N 0 0 375.428 3.235 20 30 GGEDRN C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccc(Cl)s1 ZINC000157245253 1423965775 /nfs/dbraw/zinc/96/57/75/1423965775.db2.gz OSMOJTHVEUOQHO-NEPJUHHUSA-N 0 0 390.900 3.044 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000157288726 1423975295 /nfs/dbraw/zinc/97/52/95/1423975295.db2.gz JJQMRPFRCJXVAN-JOCHJYFZSA-N 0 0 380.492 3.120 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000157306891 1423980425 /nfs/dbraw/zinc/98/04/25/1423980425.db2.gz PBVMEMKEVOYHRS-GOSISDBHSA-N 0 0 385.414 3.468 20 30 GGEDRN CCC[C@H](CC)OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000157307648 1423980506 /nfs/dbraw/zinc/98/05/06/1423980506.db2.gz QKWXGZIYPROPLT-KRWDZBQOSA-N 0 0 378.494 3.081 20 30 GGEDRN C[C@H](C[S@@](C)=O)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000157317251 1423982930 /nfs/dbraw/zinc/98/29/30/1423982930.db2.gz GLNFBVZWPXOQGQ-SUMNFNSASA-N 0 0 398.488 3.041 20 30 GGEDRN N#C[C@H]1CN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CCN1Cc1ccccc1 ZINC000157320728 1423983739 /nfs/dbraw/zinc/98/37/39/1423983739.db2.gz IRJKDBYXMQYKJU-UPVQGACJSA-N 0 0 391.515 3.454 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1nc2ccc(Cl)cn2n1 ZINC000157333998 1423987206 /nfs/dbraw/zinc/98/72/06/1423987206.db2.gz RNSIPEQYWARJAD-UHFFFAOYSA-N 0 0 385.811 3.061 20 30 GGEDRN COCCCOc1cccc(CN2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 ZINC000157344524 1423990456 /nfs/dbraw/zinc/99/04/56/1423990456.db2.gz NIHBGLPHBHQYEU-JOCHJYFZSA-N 0 0 379.504 3.312 20 30 GGEDRN COc1cccc(N2CCN(C(=O)Nc3ccccc3O[C@H](C)C#N)CC2)c1 ZINC000180009303 1429688688 /nfs/dbraw/zinc/68/86/88/1429688688.db2.gz YKQGEUNGMHEPAA-MRXNPFEDSA-N 0 0 380.448 3.340 20 30 GGEDRN Cc1nc(SCC(=O)NCc2ccnc(OC(C)C)c2)c(C#N)c(C)c1C ZINC000157357010 1423993554 /nfs/dbraw/zinc/99/35/54/1423993554.db2.gz PJBYEQHEHUANMM-UHFFFAOYSA-N 0 0 384.505 3.469 20 30 GGEDRN C=CCN1C(=S)N=NC1Cc1csc(NC(=O)CC2CCSCC2)n1 ZINC000157371942 1423996265 /nfs/dbraw/zinc/99/62/65/1423996265.db2.gz KICBFLSQTNZOHU-UHFFFAOYSA-N 0 0 395.579 3.272 20 30 GGEDRN CCOc1ccc(NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 ZINC000157385071 1423999666 /nfs/dbraw/zinc/99/96/66/1423999666.db2.gz PXVTXRFDDQIQSD-UHFFFAOYSA-N 0 0 385.423 3.457 20 30 GGEDRN O=S(=O)(NC1CCN(CC#Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000157401946 1424004304 /nfs/dbraw/zinc/00/43/04/1424004304.db2.gz MOAPCVUVZKKIMQ-UHFFFAOYSA-N 0 0 388.920 3.134 20 30 GGEDRN COc1ccc(-c2nc(CN3CCN(C[C@H](C#N)CCC#N)CC3)cs2)cc1 ZINC000157418827 1424007364 /nfs/dbraw/zinc/00/73/64/1424007364.db2.gz FOMLTGWTXHRHLS-KRWDZBQOSA-N 0 0 395.532 3.380 20 30 GGEDRN Cc1nc(N2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)CC2)sc1C ZINC000157446594 1424012695 /nfs/dbraw/zinc/01/26/95/1424012695.db2.gz FCRWYAWXOBEKNH-UHFFFAOYSA-N 0 0 389.912 3.046 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1 ZINC000157445038 1424012798 /nfs/dbraw/zinc/01/27/98/1424012798.db2.gz BKESNHZQSPOCTQ-HNNXBMFYSA-N 0 0 392.525 3.454 20 30 GGEDRN CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)N(C)CCC#N ZINC000157452828 1424014188 /nfs/dbraw/zinc/01/41/88/1424014188.db2.gz SPIVKICZLKLNCE-HNNXBMFYSA-N 0 0 387.509 3.038 20 30 GGEDRN Cc1nc(N2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)sc1C ZINC000157459312 1424015198 /nfs/dbraw/zinc/01/51/98/1424015198.db2.gz UNMNPDGHBJMHGJ-UHFFFAOYSA-N 0 0 380.477 3.004 20 30 GGEDRN C[C@@H](CC(=O)OCc1ccccc1)NC(=O)CSCc1ccc(C#N)cc1 ZINC000157477110 1424018951 /nfs/dbraw/zinc/01/89/51/1424018951.db2.gz BAFLQOJXYFLRDB-INIZCTEOSA-N 0 0 382.485 3.430 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000157516412 1424028053 /nfs/dbraw/zinc/02/80/53/1424028053.db2.gz NKGGTQGAKYMNAQ-IBGZPJMESA-N 0 0 382.508 3.272 20 30 GGEDRN N#Cc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1Cl ZINC000157532350 1424031780 /nfs/dbraw/zinc/03/17/80/1424031780.db2.gz ZJHMKQRLIWOSEC-UHFFFAOYSA-N 0 0 393.827 3.044 20 30 GGEDRN Cc1cccc2nc(CNC(=O)CSc3nc(C)c(C)c(C)c3C#N)n(C)c21 ZINC000157540285 1424033098 /nfs/dbraw/zinc/03/30/98/1424033098.db2.gz PTBBXSQLVJKYAW-UHFFFAOYSA-N 0 0 393.516 3.482 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2NC2CC2)cc1 ZINC000157541519 1424033914 /nfs/dbraw/zinc/03/39/14/1424033914.db2.gz NWYHIMDMIPTWIC-UHFFFAOYSA-N 0 0 389.452 3.117 20 30 GGEDRN N#Cc1ccc(Nc2cccc(C(=O)NCC(=O)NCCc3ccccc3)c2)cc1 ZINC000157564809 1424039198 /nfs/dbraw/zinc/03/91/98/1424039198.db2.gz ANYXHEIFCQRZLP-UHFFFAOYSA-N 0 0 398.466 3.391 20 30 GGEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCc1cccc(F)c1)C1CC1 ZINC000157568805 1424039667 /nfs/dbraw/zinc/03/96/67/1424039667.db2.gz POWIAWNZSYRFIK-UHFFFAOYSA-N 0 0 389.408 3.001 20 30 GGEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3c2cccc3Cl)ccc1F ZINC000157567044 1424039915 /nfs/dbraw/zinc/03/99/15/1424039915.db2.gz NQVCNVKXFPINDA-UHFFFAOYSA-N 0 0 394.855 3.146 20 30 GGEDRN COc1cc(F)c([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2C#N)cc1OC ZINC000157574769 1424041372 /nfs/dbraw/zinc/04/13/72/1424041372.db2.gz TZDZQQBEWKBFIW-JTQLQIEISA-N 0 0 398.843 3.407 20 30 GGEDRN Cc1cccc(S(=O)(=O)Oc2cccc(NC(=O)c3ccco3)c2)c1C#N ZINC000157600374 1424046182 /nfs/dbraw/zinc/04/61/82/1424046182.db2.gz UZMWTYROEJQFFH-UHFFFAOYSA-N 0 0 382.397 3.480 20 30 GGEDRN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000157616501 1424049878 /nfs/dbraw/zinc/04/98/78/1424049878.db2.gz YTLGWXSVBNEFKQ-ZWKOTPCHSA-N 0 0 377.444 3.265 20 30 GGEDRN N#Cc1ccc(N2CC[C@H](N3CCC[C@H](C(=O)c4ccc(F)cc4)C3)C2=O)cc1 ZINC000157635386 1424053560 /nfs/dbraw/zinc/05/35/60/1424053560.db2.gz WWOPQBDZPMHNDU-RXVVDRJESA-N 0 0 391.446 3.398 20 30 GGEDRN C=CCc1cc(CNC(=O)NCC(C)(C)[C@H](O)C(C)C)cc(OC)c1OC ZINC000157668596 1424061841 /nfs/dbraw/zinc/06/18/41/1424061841.db2.gz WFOWXWDOPXDPLU-LJQANCHMSA-N 0 0 378.513 3.275 20 30 GGEDRN Cc1nc(CN2CCN(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CC2)cs1 ZINC000157712018 1424071062 /nfs/dbraw/zinc/07/10/62/1424071062.db2.gz JVHCYZZYXHUHCP-UHFFFAOYSA-N 0 0 399.520 3.460 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@](C)(O)c1ccc(F)cc1F ZINC000180018971 1429696023 /nfs/dbraw/zinc/69/60/23/1429696023.db2.gz SAHQDHRVVVGPNA-BLVKFPJESA-N 0 0 375.375 3.285 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)N2CCC([C@@H](O)c3nccn3C)CC2)cc1C#N ZINC000157719082 1424073738 /nfs/dbraw/zinc/07/37/38/1424073738.db2.gz VDLSALXBDQKBRF-LJQANCHMSA-N 0 0 397.479 3.056 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](C)OC[C@H]2CCCCO2)c1C ZINC000157724620 1424074268 /nfs/dbraw/zinc/07/42/68/1424074268.db2.gz GREMZXUDEBAKSB-QFBILLFUSA-N 0 0 382.464 3.274 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)OC[C@H]2CCCCO2)c1C ZINC000157724477 1424074733 /nfs/dbraw/zinc/07/47/33/1424074733.db2.gz GREMZXUDEBAKSB-VQIMIIECSA-N 0 0 382.464 3.274 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)cc1C#N 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FVCTUWYLDWHBDO-HNNXBMFYSA-N 0 0 396.497 3.154 20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C2CCN(C(=O)C(C)C)CC2)c1C ZINC000157787976 1424087844 /nfs/dbraw/zinc/08/78/44/1424087844.db2.gz UTIIAWLRADXYBG-UHFFFAOYSA-N 0 0 393.491 3.194 20 30 GGEDRN C=CCn1c(SCc2ccn(-c3ccccc3)n2)nnc1-c1cnccn1 ZINC000157823819 1424096536 /nfs/dbraw/zinc/09/65/36/1424096536.db2.gz ACVTYEQGLHKJKJ-UHFFFAOYSA-N 0 0 375.461 3.399 20 30 GGEDRN C=CCn1c(SCc2nc(-c3cccs3)no2)nnc1-c1cnccn1 ZINC000157836545 1424099533 /nfs/dbraw/zinc/09/95/33/1424099533.db2.gz LFWANBIPOXQKLM-UHFFFAOYSA-N 0 0 383.462 3.325 20 30 GGEDRN COc1ccc(OCC(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cc1 ZINC000157847894 1424103468 /nfs/dbraw/zinc/10/34/68/1424103468.db2.gz GQONHDLVPXNJEF-UHFFFAOYSA-N 0 0 376.416 3.387 20 30 GGEDRN CCC(CC)N1C[C@H](C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CC1=O ZINC000157858930 1424105148 /nfs/dbraw/zinc/10/51/48/1424105148.db2.gz SHTXBDRCYJVVHS-QGZVFWFLSA-N 0 0 393.491 3.336 20 30 GGEDRN 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30 GGEDRN C#CCNC(=O)c1ccccc1NC(=O)CCC(=O)c1ccc(OCC)cc1 ZINC000161362647 1424683030 /nfs/dbraw/zinc/68/30/30/1424683030.db2.gz QJVKUOIQEVQYOL-UHFFFAOYSA-N 0 0 378.428 3.050 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1C#N ZINC000161381818 1424684619 /nfs/dbraw/zinc/68/46/19/1424684619.db2.gz JONFMIBBDXBIRQ-SFHVURJKSA-N 0 0 391.471 3.375 20 30 GGEDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C#N)c2ccccc2F)cc1SC ZINC000161383157 1424684710 /nfs/dbraw/zinc/68/47/10/1424684710.db2.gz GTDTYWSRPOMCSA-CYBMUJFWSA-N 0 0 375.381 3.459 20 30 GGEDRN N#C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)NC2=O)c1nc2cc(Cl)ccc2s1 ZINC000161407614 1424685326 /nfs/dbraw/zinc/68/53/26/1424685326.db2.gz GYHRFXOGLKAIKV-LBPRGKRZSA-N 0 0 396.815 3.079 20 30 GGEDRN COc1ccc(CC[C@H](C)NS(=O)(=O)Cc2cc(C#N)ccc2F)cc1 ZINC000161425605 1424686937 /nfs/dbraw/zinc/68/69/37/1424686937.db2.gz IBQWAEQEVMMNTP-AWEZNQCLSA-N 0 0 376.453 3.147 20 30 GGEDRN CCOc1ccc(C(=O)N[C@H](C(=O)N[C@H](C#N)c2ccccc2F)C(C)C)cc1 ZINC000161452789 1424691564 /nfs/dbraw/zinc/69/15/64/1424691564.db2.gz IDOGTLGUJPIQSV-UXHICEINSA-N 0 0 397.450 3.360 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)CN2CCC([C@H](O)C(F)(F)F)CC2)c1C ZINC000161463237 1424691990 /nfs/dbraw/zinc/69/19/90/1424691990.db2.gz DSORGSCVNIRDBZ-IBGZPJMESA-N 0 0 397.441 3.185 20 30 GGEDRN COCCN(CCCc1ccccc1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000161458636 1424692360 /nfs/dbraw/zinc/69/23/60/1424692360.db2.gz KTNRUWPKDADSHP-UHFFFAOYSA-N 0 0 390.480 3.108 20 30 GGEDRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCC#Cc2cccc(Cl)c2)cc1 ZINC000161511731 1424696762 /nfs/dbraw/zinc/69/67/62/1424696762.db2.gz KPLMSYKOVKMVAV-OAHLLOKOSA-N 0 0 384.863 3.485 20 30 GGEDRN C#CCOc1ccc(C(=O)Nc2ccc([C@@]3(CC)CCC(=O)NC3=O)cc2)cc1 ZINC000161513252 1424697989 /nfs/dbraw/zinc/69/79/89/1424697989.db2.gz FDJSYGJLXKBEBK-HSZRJFAPSA-N 0 0 390.439 3.035 20 30 GGEDRN N#C[C@H](COC(=O)COc1ccc(N2CCCC2=O)cc1)Cc1cccs1 ZINC000180112930 1429742554 /nfs/dbraw/zinc/74/25/54/1429742554.db2.gz VNPPEQRVMOKCRO-OAHLLOKOSA-N 0 0 384.457 3.179 20 30 GGEDRN COc1ccccc1N1C[C@@H](C(=O)OC[C@H](C#N)Cc2cccs2)CC1=O ZINC000180112210 1429742800 /nfs/dbraw/zinc/74/28/00/1429742800.db2.gz AUSCNYLHJITMEF-GJZGRUSLSA-N 0 0 384.457 3.035 20 30 GGEDRN C#CCOc1ccc(C(=O)N(C)[C@@H](C(=O)OC)c2cc(F)c(F)c(F)c2)cc1 ZINC000161556620 1424709210 /nfs/dbraw/zinc/70/92/10/1424709210.db2.gz HXBYMNXFUKKYIK-GOSISDBHSA-N 0 0 391.345 3.102 20 30 GGEDRN C#CCOc1ccc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC000161565686 1424713566 /nfs/dbraw/zinc/71/35/66/1424713566.db2.gz UFIIQLFAIMNKTD-UHFFFAOYSA-N 0 0 377.444 3.125 20 30 GGEDRN CCC[C@H]1C(=O)NCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000161573462 1424715495 /nfs/dbraw/zinc/71/54/95/1424715495.db2.gz WOQBIALHVBRBFT-IBGZPJMESA-N 0 0 378.432 3.483 20 30 GGEDRN C#CCOCCC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000161598496 1424721347 /nfs/dbraw/zinc/72/13/47/1424721347.db2.gz HSXFPNYTFCUMDZ-HXUWFJFHSA-N 0 0 376.456 3.465 20 30 GGEDRN CC(C)c1nn(-c2ccccc2)cc1CN(CCC#N)CCN1CCOCC1 ZINC000161617097 1424725249 /nfs/dbraw/zinc/72/52/49/1424725249.db2.gz XGXQJLXRVBVQFU-UHFFFAOYSA-N 0 0 381.524 3.044 20 30 GGEDRN C#CCOc1ccc(C(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000161658547 1424734217 /nfs/dbraw/zinc/73/42/17/1424734217.db2.gz BCWDEOJTXMLSKV-KRWDZBQOSA-N 0 0 386.492 3.418 20 30 GGEDRN Cc1cc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)nn1-c1cccc(F)c1 ZINC000180127193 1429749160 /nfs/dbraw/zinc/74/91/60/1429749160.db2.gz XVHRAXZOZFJWTI-UHFFFAOYSA-N 0 0 393.422 3.068 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)NCc2ncc(C)s2)nnc1-c1ccco1 ZINC000161665623 1424735709 /nfs/dbraw/zinc/73/57/09/1424735709.db2.gz JGLZUUVNDOTPIG-UHFFFAOYSA-N 0 0 389.506 3.288 20 30 GGEDRN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(N(C)C)cc2F)C1=O ZINC000161673998 1424737810 /nfs/dbraw/zinc/73/78/10/1424737810.db2.gz NOCYRRCCJSTABC-FQEVSTJZSA-N 0 0 392.475 3.208 20 30 GGEDRN C=CCn1c(-c2ccccn2)nn(CN(CCC#N)CC(F)(F)F)c1=S ZINC000161693002 1424741933 /nfs/dbraw/zinc/74/19/33/1424741933.db2.gz IYGXSXIUHIHHKB-UHFFFAOYSA-N 0 0 382.415 3.398 20 30 GGEDRN Cn1c(COc2ccccc2)nn(CN(CCC#N)CC(F)(F)F)c1=S ZINC000161695980 1424742752 /nfs/dbraw/zinc/74/27/52/1424742752.db2.gz TYYJJCRRMCGWHL-UHFFFAOYSA-N 0 0 385.415 3.266 20 30 GGEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)CCCn2ccnc2)cc1C ZINC000161697607 1424743173 /nfs/dbraw/zinc/74/31/73/1424743173.db2.gz AXFHSDFWWUWVQU-UHFFFAOYSA-N 0 0 390.491 3.439 20 30 GGEDRN C#CCOCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000161709728 1424747088 /nfs/dbraw/zinc/74/70/88/1424747088.db2.gz KCZXXWSTEJDUQO-NRFANRHFSA-N 0 0 385.485 3.279 20 30 GGEDRN COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)CCc1ccc(C#N)cc1 ZINC000161729532 1424752821 /nfs/dbraw/zinc/75/28/21/1424752821.db2.gz APYYKOKPNNDQSQ-LJQANCHMSA-N 0 0 390.361 3.281 20 30 GGEDRN N#Cc1ccccc1S(=O)(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000161789336 1424764969 /nfs/dbraw/zinc/76/49/69/1424764969.db2.gz QHYXVGGTBRGZIL-LJQANCHMSA-N 0 0 390.892 3.346 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)C[C@H](O)c1ccccc1 ZINC000161800296 1424767441 /nfs/dbraw/zinc/76/74/41/1424767441.db2.gz KJILWQZTBRYBRA-LPHOPBHVSA-N 0 0 382.460 3.354 20 30 GGEDRN C[C@H](NS(=O)(=O)c1cccc(C(=O)OCC(C)(C)C#N)c1)c1ccccc1 ZINC000180132421 1429751441 /nfs/dbraw/zinc/75/14/41/1429751441.db2.gz KYCMGKNMHHXMSB-HNNXBMFYSA-N 0 0 386.473 3.433 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)C[C@@H](O)c1ccccc1 ZINC000161800496 1424767853 /nfs/dbraw/zinc/76/78/53/1424767853.db2.gz KJILWQZTBRYBRA-QFBILLFUSA-N 0 0 382.460 3.354 20 30 GGEDRN N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(Cl)c(OC(F)F)c2)cc1 ZINC000161822182 1424773565 /nfs/dbraw/zinc/77/35/65/1424773565.db2.gz QSYULFQOFYEVFW-UHFFFAOYSA-N 0 0 379.750 3.182 20 30 GGEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CNc2ccn(CC(F)(F)F)n2)c1 ZINC000161858480 1424780986 /nfs/dbraw/zinc/78/09/86/1424780986.db2.gz GLJYHXQMRQPVKA-UHFFFAOYSA-N 0 0 379.386 3.421 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)NC[C@@](C)(O)[C@H](C)CC)nnc1-c1ccco1 ZINC000161877754 1424786004 /nfs/dbraw/zinc/78/60/04/1424786004.db2.gz LLBHKAMWWLNCPQ-AUUYWEPGSA-N 0 0 392.525 3.120 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000161925810 1424798647 /nfs/dbraw/zinc/79/86/47/1424798647.db2.gz GIISWUBKWZVYCL-UHFFFAOYSA-N 0 0 385.415 3.367 20 30 GGEDRN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000161930284 1424799997 /nfs/dbraw/zinc/79/99/97/1424799997.db2.gz FPXXKONYHIMODN-INIZCTEOSA-N 0 0 399.422 3.398 20 30 GGEDRN CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CC)c(S(C)(=O)=O)c2)cc1 ZINC000161947075 1424802144 /nfs/dbraw/zinc/80/21/44/1424802144.db2.gz BNNAKEQZVDSFOX-GOSISDBHSA-N 0 0 398.484 3.176 20 30 GGEDRN COc1ccc(CS(=O)(=O)Cc2nc(-c3ccc(C)cc3)no2)cc1C#N ZINC000161956322 1424803005 /nfs/dbraw/zinc/80/30/05/1424803005.db2.gz NCUDNQMBLAVPQR-UHFFFAOYSA-N 0 0 383.429 3.040 20 30 GGEDRN C[C@@H](Cc1ccc(Br)cc1)C(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000161970765 1424804767 /nfs/dbraw/zinc/80/47/67/1424804767.db2.gz ZXEZKQFJJNWYPT-LRDDRELGSA-N 0 0 377.282 3.395 20 30 GGEDRN C[C@H](Cc1ccc(Br)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000161986132 1424806625 /nfs/dbraw/zinc/80/66/25/1424806625.db2.gz CJYURFDVZMTWDN-DOMZBBRYSA-N 0 0 386.249 3.370 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1cnc2c(C)cccc2c1O ZINC000162008483 1424808110 /nfs/dbraw/zinc/80/81/10/1424808110.db2.gz XRYAZIDYKMZXGW-UHFFFAOYSA-N 0 0 375.428 3.409 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)[C@H](O)c1ccc(F)cc1 ZINC000162039126 1424810990 /nfs/dbraw/zinc/81/09/90/1424810990.db2.gz KWNRDZLIUZEFTJ-QKKBWIMNSA-N 0 0 386.423 3.103 20 30 GGEDRN CCCC[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)OC(C)(C)C ZINC000162037811 1424811015 /nfs/dbraw/zinc/81/10/15/1424811015.db2.gz ONGIRJQMCMHVKD-INIZCTEOSA-N 0 0 384.473 3.017 20 30 GGEDRN COc1ccc(CS(=O)(=O)Cc2ccn(-c3ccc(F)cc3)n2)cc1C#N ZINC000162070760 1424813491 /nfs/dbraw/zinc/81/34/91/1424813491.db2.gz OYWVTRCUYXDXJU-UHFFFAOYSA-N 0 0 385.420 3.007 20 30 GGEDRN CCCCS(=O)(=O)Nc1ccc(NC(=O)CNc2cccc(C#N)c2)cc1 ZINC000162070788 1424813602 /nfs/dbraw/zinc/81/36/02/1424813602.db2.gz GNXRQJFKMBLEOX-UHFFFAOYSA-N 0 0 386.477 3.151 20 30 GGEDRN Cc1ccc(C[C@H](C)NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)s1 ZINC000162114667 1424817208 /nfs/dbraw/zinc/81/72/08/1424817208.db2.gz ZQRXTICUXHDAAM-QFBILLFUSA-N 0 0 382.533 3.407 20 30 GGEDRN CC[C@@](C)(C#N)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000162143968 1424819658 /nfs/dbraw/zinc/81/96/58/1424819658.db2.gz YIDSIWYHAUQXOY-FQEVSTJZSA-N 0 0 385.489 3.242 20 30 GGEDRN N#CC1(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)CCSCC1 ZINC000162168190 1424822529 /nfs/dbraw/zinc/82/25/29/1424822529.db2.gz AJKVFZZCISXZBI-UHFFFAOYSA-N 0 0 387.896 3.317 20 30 GGEDRN N#CC1(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)CCSCC1 ZINC000162182471 1424823905 /nfs/dbraw/zinc/82/39/05/1424823905.db2.gz KXJILVHSMWCPDM-UHFFFAOYSA-N 0 0 387.892 3.069 20 30 GGEDRN N#Cc1ccc(F)c(CS(=O)(=O)N2CCO[C@H](c3ccccc3Cl)C2)c1 ZINC000162181724 1424823949 /nfs/dbraw/zinc/82/39/49/1424823949.db2.gz AFJHGDWHUOBEEL-SFHVURJKSA-N 0 0 394.855 3.254 20 30 GGEDRN C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000162198082 1424825299 /nfs/dbraw/zinc/82/52/99/1424825299.db2.gz BPACQFWQWTXDRH-KRWDZBQOSA-N 0 0 396.244 3.257 20 30 GGEDRN Cc1cc(=O)n(C)cc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000162203321 1424826268 /nfs/dbraw/zinc/82/62/68/1424826268.db2.gz NVQGNMJTAVUSSK-UHFFFAOYSA-N 0 0 380.448 3.077 20 30 GGEDRN COc1ccccc1CC(C)(C)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000162231814 1424829114 /nfs/dbraw/zinc/82/91/14/1424829114.db2.gz FDIAHZBDYGEJIT-UHFFFAOYSA-N 0 0 376.453 3.147 20 30 GGEDRN COc1cc(C)cc(CNC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)c1 ZINC000162276900 1424833477 /nfs/dbraw/zinc/83/34/77/1424833477.db2.gz BKLNTBWXBZIGIJ-IBGZPJMESA-N 0 0 378.476 3.112 20 30 GGEDRN N#Cc1ccccc1COc1ccc(C(=O)N2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000162273426 1424833501 /nfs/dbraw/zinc/83/35/01/1424833501.db2.gz OFKOEJMMNIMDHP-NHCUHLMSSA-N 0 0 394.496 3.484 20 30 GGEDRN N#Cc1cccc(OCc2cccc(C(=O)N3CCS[C@@H]4COCC[C@H]43)c2)c1 ZINC000162325103 1424838281 /nfs/dbraw/zinc/83/82/81/1424838281.db2.gz KPXXENUIXNVZJP-NHCUHLMSSA-N 0 0 394.496 3.484 20 30 GGEDRN Cc1nncn1-c1cccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 ZINC000162345513 1424840008 /nfs/dbraw/zinc/84/00/08/1424840008.db2.gz APRYZQCBJGKWQN-UHFFFAOYSA-N 0 0 392.488 3.498 20 30 GGEDRN C[C@]1(C(=O)N[C@@H](C#N)c2cccc(Br)c2)Cc2ccccc2C(=O)O1 ZINC000162379073 1424843822 /nfs/dbraw/zinc/84/38/22/1424843822.db2.gz ZAWCXSIJYATRLE-QFBILLFUSA-N 0 0 399.244 3.302 20 30 GGEDRN C[C@@]1(C(=O)N[C@H](C#N)c2cccc(Br)c2)Cc2ccccc2C(=O)O1 ZINC000162379361 1424844017 /nfs/dbraw/zinc/84/40/17/1424844017.db2.gz ZAWCXSIJYATRLE-APWZRJJASA-N 0 0 399.244 3.302 20 30 GGEDRN N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000162381912 1424844562 /nfs/dbraw/zinc/84/45/62/1424844562.db2.gz ZWCDQSKGSYTHGU-KRWDZBQOSA-N 0 0 385.370 3.169 20 30 GGEDRN Cc1cc(C#N)ccc1C(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000162403613 1424847248 /nfs/dbraw/zinc/84/72/48/1424847248.db2.gz SZKPGZRXZXKYSG-IYBDPMFKSA-N 0 0 377.444 3.368 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1COc2ccccc21 ZINC000162433564 1424851099 /nfs/dbraw/zinc/85/10/99/1424851099.db2.gz DHXCFYCZPUJBCN-KDOFPFPSSA-N 0 0 377.444 3.107 20 30 GGEDRN CCCCCn1nc(C(=O)NC2(C#N)CCSCC2)c2ccccc2c1=O ZINC000162458914 1424855241 /nfs/dbraw/zinc/85/52/41/1424855241.db2.gz LZMFXKAQEOJJRL-UHFFFAOYSA-N 0 0 384.505 3.106 20 30 GGEDRN N#CCCN(CCN1CCOCC1)C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000162504764 1424859711 /nfs/dbraw/zinc/85/97/11/1424859711.db2.gz BTGROVIVFGDCQQ-UHFFFAOYSA-N 0 0 376.460 3.009 20 30 GGEDRN N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000162526084 1424862438 /nfs/dbraw/zinc/86/24/38/1424862438.db2.gz VILHPAOUISXCAP-GOSISDBHSA-N 0 0 396.422 3.205 20 30 GGEDRN N#Cc1ccccc1OCc1cccc(C(=O)N2CCS[C@H]3COCC[C@@H]32)c1 ZINC000162549509 1424865125 /nfs/dbraw/zinc/86/51/25/1424865125.db2.gz MMAGSMBOYMDTIS-FPOVZHCZSA-N 0 0 394.496 3.484 20 30 GGEDRN N#CC1(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCSCC1 ZINC000162570949 1424867212 /nfs/dbraw/zinc/86/72/12/1424867212.db2.gz NUNGUKCYHHWLMP-UHFFFAOYSA-N 0 0 377.469 3.060 20 30 GGEDRN CCCCCCCCCN(C)C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000162586162 1424869136 /nfs/dbraw/zinc/86/91/36/1424869136.db2.gz IFRNAKVXXJULPD-UHFFFAOYSA-N 0 0 387.524 3.462 20 30 GGEDRN C=CCNc1ncc(C(=O)NCc2ccc(COC3CCOCC3)cc2)s1 ZINC000162592226 1424869692 /nfs/dbraw/zinc/86/96/92/1424869692.db2.gz YTYZUWJIOAFGFB-UHFFFAOYSA-N 0 0 387.505 3.367 20 30 GGEDRN N#CC1(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CCSCC1 ZINC000162600775 1424870739 /nfs/dbraw/zinc/87/07/39/1424870739.db2.gz FCJXLKCWRPWCDR-UHFFFAOYSA-N 0 0 397.422 3.351 20 30 GGEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nccc(N)n1 ZINC000162653270 1424875727 /nfs/dbraw/zinc/87/57/27/1424875727.db2.gz QOAPJZPSFZJEAN-UHFFFAOYSA-N 0 0 388.884 3.361 20 30 GGEDRN Cc1cc(Cl)ncc1NC(=O)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000162675148 1424878538 /nfs/dbraw/zinc/87/85/38/1424878538.db2.gz PKXOOUUQUGGVBY-RDJZCZTQSA-N 0 0 382.851 3.280 20 30 GGEDRN Cc1cc(Cl)ncc1NC(=O)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000162675383 1424878617 /nfs/dbraw/zinc/87/86/17/1424878617.db2.gz PKXOOUUQUGGVBY-WBVHZDCISA-N 0 0 382.851 3.280 20 30 GGEDRN Cc1cc(Cl)ncc1NC(=O)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000162675016 1424878700 /nfs/dbraw/zinc/87/87/00/1424878700.db2.gz PKXOOUUQUGGVBY-DOTOQJQBSA-N 0 0 382.851 3.280 20 30 GGEDRN N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000162683156 1424879711 /nfs/dbraw/zinc/87/97/11/1424879711.db2.gz GRMSOECQCPFLBY-AWEZNQCLSA-N 0 0 399.332 3.247 20 30 GGEDRN CCCCc1ccc(N2C[C@@H](C(=O)NC3(C#N)CCSCC3)CC2=O)cc1 ZINC000162693045 1424880982 /nfs/dbraw/zinc/88/09/82/1424880982.db2.gz FCNBPAHOLQLYHS-KRWDZBQOSA-N 0 0 385.533 3.288 20 30 GGEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2nc3ccc(F)cc3o2)CC1 ZINC000162724864 1424885128 /nfs/dbraw/zinc/88/51/28/1424885128.db2.gz LJMQEMYKMBWRLK-UHFFFAOYSA-N 0 0 393.378 3.409 20 30 GGEDRN N#CC1(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)CCSCC1 ZINC000162737984 1424886903 /nfs/dbraw/zinc/88/69/03/1424886903.db2.gz CMONYOUXFTWITC-IBGZPJMESA-N 0 0 393.512 3.453 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000162751271 1424887638 /nfs/dbraw/zinc/88/76/38/1424887638.db2.gz SFIZGKGATJFFSL-UHFFFAOYSA-N 0 0 385.431 3.179 20 30 GGEDRN Cc1cccc(C(C)(C)CNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)c1 ZINC000162754570 1424887740 /nfs/dbraw/zinc/88/77/40/1424887740.db2.gz HJMDXQQKLOIVMH-UHFFFAOYSA-N 0 0 383.423 3.069 20 30 GGEDRN Cc1ccc(C(=O)N2CCC(CCC(C)C)CC2)cc1S(=O)(=O)NCC#N ZINC000162792651 1424890972 /nfs/dbraw/zinc/89/09/72/1424890972.db2.gz NCHGTBOZUXLQKC-UHFFFAOYSA-N 0 0 391.537 3.085 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1 ZINC000162794655 1424890997 /nfs/dbraw/zinc/89/09/97/1424890997.db2.gz UFKASFSYSSOHKV-UHFFFAOYSA-N 0 0 390.355 3.059 20 30 GGEDRN CC(C)C[C@H]1CCCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000162832060 1424894888 /nfs/dbraw/zinc/89/48/88/1424894888.db2.gz SIUMSORNWFURIP-MOPGFXCFSA-N 0 0 396.491 3.190 20 30 GGEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)c2cnn(C3CCOCC3)c2C)c1 ZINC000162838476 1424895191 /nfs/dbraw/zinc/89/51/91/1424895191.db2.gz MPHVFTBDYYSVQT-GOSISDBHSA-N 0 0 382.464 3.154 20 30 GGEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cnn(C3CCOCC3)c2C)c1 ZINC000162838346 1424895322 /nfs/dbraw/zinc/89/53/22/1424895322.db2.gz MPHVFTBDYYSVQT-SFHVURJKSA-N 0 0 382.464 3.154 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N2CCN(c3nc(C)c(C)s3)CC2)cc1 ZINC000162888407 1424899539 /nfs/dbraw/zinc/89/95/39/1424899539.db2.gz IWONWIVKGBJVMI-UHFFFAOYSA-N 0 0 399.520 3.030 20 30 GGEDRN C=C(C)Cn1c(SCC(=O)Nc2cnn(CCC)c2)nnc1-c1ccco1 ZINC000162886905 1424899797 /nfs/dbraw/zinc/89/97/97/1424899797.db2.gz BTLJHIZFPZJAMZ-UHFFFAOYSA-N 0 0 386.481 3.452 20 30 GGEDRN N#Cc1cccc(-c2csc(NC(=O)C(=O)NCc3ccccc3F)n2)c1 ZINC000162891268 1424900474 /nfs/dbraw/zinc/90/04/74/1424900474.db2.gz OHVDFFREOMAGGV-UHFFFAOYSA-N 0 0 380.404 3.076 20 30 GGEDRN CN([C@H]1CCCN(c2ccccc2)C1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000162907818 1424904063 /nfs/dbraw/zinc/90/40/63/1424904063.db2.gz NGZSJOMHEWJWGD-IBGZPJMESA-N 0 0 387.480 3.128 20 30 GGEDRN Cc1ccccc1CNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000162915284 1424905402 /nfs/dbraw/zinc/90/54/02/1424905402.db2.gz JNEXMPPQORRTRJ-UHFFFAOYSA-N 0 0 376.441 3.245 20 30 GGEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000162940864 1424910060 /nfs/dbraw/zinc/91/00/60/1424910060.db2.gz ZLYQFQXVAYAJMB-UHFFFAOYSA-N 0 0 392.434 3.399 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCc3cccc(F)c3C2)cc1C(F)(F)F ZINC000162991756 1424919346 /nfs/dbraw/zinc/91/93/46/1424919346.db2.gz NSXFLKYBCJSYIB-UHFFFAOYSA-N 0 0 384.354 3.463 20 30 GGEDRN N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCCc4sccc43)CC2)nc1 ZINC000162996344 1424920343 /nfs/dbraw/zinc/92/03/43/1424920343.db2.gz AOKXEVYLDNTWFK-QGZVFWFLSA-N 0 0 381.505 3.360 20 30 GGEDRN Cc1cc(C(=O)N2CCS[C@H]3COCC[C@H]32)c(C)n1-c1ccc(C#N)cc1 ZINC000163009742 1424923163 /nfs/dbraw/zinc/92/31/63/1424923163.db2.gz MBLPWYPBQHSJKU-UXHICEINSA-N 0 0 381.501 3.312 20 30 GGEDRN C=CCOc1cc(OC)ccc1C(=O)NCc1ccn(-c2ccc(OC)cc2)n1 ZINC000163019561 1424924867 /nfs/dbraw/zinc/92/48/67/1424924867.db2.gz AYRWBBGTDLWDPT-UHFFFAOYSA-N 0 0 393.443 3.384 20 30 GGEDRN CC[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000163039951 1424929044 /nfs/dbraw/zinc/92/90/44/1424929044.db2.gz IRSPRDNLLUKGPF-WMLDXEAASA-N 0 0 398.898 3.373 20 30 GGEDRN C=CCn1c(COc2ccccc2)nn(CN2CC[C@@]3(CCOC3)C2)c1=S ZINC000163057496 1424932748 /nfs/dbraw/zinc/93/27/48/1424932748.db2.gz JDEDXIWBOQCRLD-HXUWFJFHSA-N 0 0 386.521 3.249 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1noc(-c2ccccc2)n1 ZINC000163064163 1424934468 /nfs/dbraw/zinc/93/44/68/1424934468.db2.gz VLGCJYKVVKUTPD-LLVKDONJSA-N 0 0 395.806 3.078 20 30 GGEDRN C[C@@](NC(=O)c1cccc(OCc2ccccc2C#N)c1)(C(N)=O)c1ccccc1 ZINC000163078124 1424935985 /nfs/dbraw/zinc/93/59/85/1424935985.db2.gz BMEPHPSVRPWWIN-DEOSSOPVSA-N 0 0 399.450 3.268 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCSC[C@@H]2c2ccccc2)c1 ZINC000163105870 1424941763 /nfs/dbraw/zinc/94/17/63/1424941763.db2.gz UGNKYTBBYMZGAZ-QGZVFWFLSA-N 0 0 385.876 3.467 20 30 GGEDRN C[C@@H](CC#N)N(C)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC000163138610 1424949358 /nfs/dbraw/zinc/94/93/58/1424949358.db2.gz YJVDBFUAFZLCOB-ZDUSSCGKSA-N 0 0 385.449 3.032 20 30 GGEDRN N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000163178081 1424954447 /nfs/dbraw/zinc/95/44/47/1424954447.db2.gz YHWZEHUGAFVDMV-IBGZPJMESA-N 0 0 381.407 3.324 20 30 GGEDRN COCCN(Cc1cn(-c2ccc(Cl)cc2)nn1)Cc1ccc(C#N)cc1 ZINC000163214886 1424960625 /nfs/dbraw/zinc/96/06/25/1424960625.db2.gz SQDRNEUBQMAXGQ-UHFFFAOYSA-N 0 0 381.867 3.441 20 30 GGEDRN Cc1cccc(CNC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1 ZINC000163224829 1424962202 /nfs/dbraw/zinc/96/22/02/1424962202.db2.gz RVQLATUODIJIFG-UHFFFAOYSA-N 0 0 376.441 3.245 20 30 GGEDRN C=C(C)Cn1c(SCCC(=O)Nc2cc(C)on2)nnc1-c1ccncc1 ZINC000163257421 1424967879 /nfs/dbraw/zinc/96/78/79/1424967879.db2.gz OJWNUPLETWSURX-UHFFFAOYSA-N 0 0 384.465 3.334 20 30 GGEDRN C#CCOc1ccc(C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000163312490 1424978068 /nfs/dbraw/zinc/97/80/68/1424978068.db2.gz FVKWTAFBFBPXNH-UHFFFAOYSA-N 0 0 376.456 3.042 20 30 GGEDRN N#Cc1ccc(SCn2nnc3c(cnn3-c3ccccc3)c2=O)c(Cl)c1 ZINC000163336634 1424981388 /nfs/dbraw/zinc/98/13/88/1424981388.db2.gz JEJVPNLFIAIYTR-UHFFFAOYSA-N 0 0 394.847 3.252 20 30 GGEDRN N#Cc1ccc(OCc2cccc(C(=O)N3CCC(n4ccnn4)CC3)c2)cc1 ZINC000163347527 1424983038 /nfs/dbraw/zinc/98/30/38/1424983038.db2.gz PQDBSGBBPFIXJK-UHFFFAOYSA-N 0 0 387.443 3.206 20 30 GGEDRN C=CCn1c(-c2ccccn2)nn(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1=S ZINC000163352958 1424984064 /nfs/dbraw/zinc/98/40/64/1424984064.db2.gz QRLFTEIKUUHCJA-AEFFLSMTSA-N 0 0 395.536 3.399 20 30 GGEDRN CC(C)(C)[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000163364149 1424985395 /nfs/dbraw/zinc/98/53/95/1424985395.db2.gz CNIXXEOEQCYTQL-LJQANCHMSA-N 0 0 385.414 3.470 20 30 GGEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CNc2ccccc2SCC(N)=O)c1 ZINC000163370412 1424986446 /nfs/dbraw/zinc/98/64/46/1424986446.db2.gz GOPUPQVPVIPUNA-UHFFFAOYSA-N 0 0 396.516 3.240 20 30 GGEDRN C=CCn1c(=O)[nH]nc1S[C@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000163413450 1424994369 /nfs/dbraw/zinc/99/43/69/1424994369.db2.gz WPNINQYGNXIYIV-CQSZACIVSA-N 0 0 386.477 3.181 20 30 GGEDRN C=CCn1c(SCC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)n[nH]c1=O ZINC000163420900 1424995600 /nfs/dbraw/zinc/99/56/00/1424995600.db2.gz QHZHUUJXCWWVTN-OAHLLOKOSA-N 0 0 392.500 3.282 20 30 GGEDRN COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2coc3ccccc32)NC(=S)N1 ZINC000163437180 1424998739 /nfs/dbraw/zinc/99/87/39/1424998739.db2.gz LQEYYLPLKFCQAO-KRWDZBQOSA-N 0 0 392.436 3.262 20 30 GGEDRN COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2coc3ccccc32)NC(=S)N1 ZINC000163441649 1424999624 /nfs/dbraw/zinc/99/96/24/1424999624.db2.gz WUJSDISWGKDOAQ-HNNXBMFYSA-N 0 0 398.465 3.323 20 30 GGEDRN C=CCn1c(=O)[nH]nc1SCC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000163456325 1425002419 /nfs/dbraw/zinc/00/24/19/1425002419.db2.gz LGBGGJAENAFZDF-GOSISDBHSA-N 0 0 386.521 3.287 20 30 GGEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N(Cc1ccco1)C1CCCC1 ZINC000163464028 1425003961 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GGEDRN N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](CSc3ccccc3)C2)ccc1F ZINC000173564580 1426733697 /nfs/dbraw/zinc/73/36/97/1426733697.db2.gz SMVOGAYESPWLJU-CQSZACIVSA-N 0 0 383.448 3.277 20 30 GGEDRN N#CCCn1ccc(NC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)n1 ZINC000173567076 1426736042 /nfs/dbraw/zinc/73/60/42/1426736042.db2.gz WFKDPIHYVIZANV-UHFFFAOYSA-N 0 0 381.314 3.160 20 30 GGEDRN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173591092 1426755126 /nfs/dbraw/zinc/75/51/26/1426755126.db2.gz KOPSRZAZJCGYOF-CRAIPNDOSA-N 0 0 381.480 3.125 20 30 GGEDRN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000173604119 1426776536 /nfs/dbraw/zinc/77/65/36/1426776536.db2.gz JERSCVJGOAFDOG-FQEVSTJZSA-N 0 0 395.482 3.191 20 30 GGEDRN CC[C@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c2ccccc2O1 ZINC000173612469 1426789066 /nfs/dbraw/zinc/78/90/66/1426789066.db2.gz FRZYSZYONKSIAC-SFHVURJKSA-N 0 0 387.443 3.360 20 30 GGEDRN Cc1cnc([C@@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C2CC2)s1 ZINC000173612505 1426789986 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C#CCOc1ccc(F)cc1NC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1 ZINC000173802170 1426855475 /nfs/dbraw/zinc/85/54/75/1426855475.db2.gz UDCSQQAABKYXAI-INIZCTEOSA-N 0 0 397.450 3.494 20 30 GGEDRN C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c1 ZINC000173807163 1426856638 /nfs/dbraw/zinc/85/66/38/1426856638.db2.gz CYTXDUNJLNYJMH-FPOVZHCZSA-N 0 0 376.456 3.199 20 30 GGEDRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)C(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000173808405 1426856859 /nfs/dbraw/zinc/85/68/59/1426856859.db2.gz ZOANTDKTLIBYGR-PZJWPPBQSA-N 0 0 391.471 3.398 20 30 GGEDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000173807832 1426857043 /nfs/dbraw/zinc/85/70/43/1426857043.db2.gz TYNCRERGRUWQQP-ICSRJNTNSA-N 0 0 377.444 3.089 20 30 GGEDRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000173809847 1426857329 /nfs/dbraw/zinc/85/73/29/1426857329.db2.gz DOROKETWFWEEGG-OXQOHEQNSA-N 0 0 395.434 3.228 20 30 GGEDRN CNC(=O)CC1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000173816874 1426859009 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C=CCCCCCN(C)C(=O)[C@H](C)NC(=O)c1cc2c(C)nn(C)c2s1 ZINC000173878882 1426879381 /nfs/dbraw/zinc/87/93/81/1426879381.db2.gz KBPWZDFGZVKGFT-AWEZNQCLSA-N 0 0 376.526 3.266 20 30 GGEDRN CC(C)CO[C@@H](C)c1noc(CN2CCN(c3ccc(C#N)cc3F)CC2)n1 ZINC000173878098 1426879392 /nfs/dbraw/zinc/87/93/92/1426879392.db2.gz LCMORQJZFPVIKJ-HNNXBMFYSA-N 0 0 387.459 3.136 20 30 GGEDRN COc1ccc([C@@H]2[C@H](C(=O)[C@H](C#N)c3nc(C)cs3)CCC(=O)N2C)cc1 ZINC000173897644 1426884146 /nfs/dbraw/zinc/88/41/46/1426884146.db2.gz FDBHWFYEHOAZEL-SOLBZPMBSA-N 0 0 383.473 3.246 20 30 GGEDRN C[C@H](Nc1cccc(N2CCOC2=O)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000173897553 1426884206 /nfs/dbraw/zinc/88/42/06/1426884206.db2.gz YQLQHYWRTIJHKF-INIZCTEOSA-N 0 0 378.432 3.390 20 30 GGEDRN CCOC(=O)[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H](C)CC ZINC000173897948 1426884222 /nfs/dbraw/zinc/88/42/22/1426884222.db2.gz VQJPOUBAMOWLEK-LIRRHRJNSA-N 0 0 384.432 3.438 20 30 GGEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2 ZINC000173899168 1426884618 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382.370 3.285 20 30 GGEDRN Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 ZINC000173906578 1426887261 /nfs/dbraw/zinc/88/72/61/1426887261.db2.gz VPTQAMNTMHNGFD-GOSISDBHSA-N 0 0 377.492 3.033 20 30 GGEDRN N#C[C@H](C(=O)CCC1CCOCC1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000173916573 1426891088 /nfs/dbraw/zinc/89/10/88/1426891088.db2.gz ZAINSVVSKGHMAQ-CQSZACIVSA-N 0 0 385.489 3.246 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)NC[C@H](C)Oc2ccccc2Cl)c1 ZINC000173925406 1426895039 /nfs/dbraw/zinc/89/50/39/1426895039.db2.gz DSRZDNMHODBXGB-AWEZNQCLSA-N 0 0 385.851 3.027 20 30 GGEDRN CCN(CC1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1)C(=O)OC(C)(C)C ZINC000173928139 1426896076 /nfs/dbraw/zinc/89/60/76/1426896076.db2.gz BIGIFAWEVKOJSP-NRFANRHFSA-N 0 0 394.560 3.010 20 30 GGEDRN COc1cc(N[C@H](C)C(=O)N(CCC#N)c2ccccc2)ccc1NC(C)=O ZINC000173932022 1426897898 /nfs/dbraw/zinc/89/78/98/1426897898.db2.gz WPZQIHXWNBGLCT-OAHLLOKOSA-N 0 0 380.448 3.401 20 30 GGEDRN C[C@@H](Nc1ccc(CC(=O)N(C)C)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000173937478 1426899581 /nfs/dbraw/zinc/89/95/81/1426899581.db2.gz PJAVUBIUBJOAAG-QGZVFWFLSA-N 0 0 378.476 3.065 20 30 GGEDRN CCCCCNC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000173943670 1426902349 /nfs/dbraw/zinc/90/23/49/1426902349.db2.gz SQLFRANUBBVAJR-IUODEOHRSA-N 0 0 381.270 3.232 20 30 GGEDRN CCCCCNC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000173943656 1426902459 /nfs/dbraw/zinc/90/24/59/1426902459.db2.gz SQLFRANUBBVAJR-DOMZBBRYSA-N 0 0 381.270 3.232 20 30 GGEDRN N#CC(C(=O)CCC(=O)c1ccccc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000173946212 1426904244 /nfs/dbraw/zinc/90/42/44/1426904244.db2.gz SLMASGJCHBFQOC-MRXNPFEDSA-N 0 0 386.415 3.037 20 30 GGEDRN CC[C@](C)(NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1nc(C)cs1 ZINC000173949836 1426905886 /nfs/dbraw/zinc/90/58/86/1426905886.db2.gz HXRAOFPABWJWGS-FQEVSTJZSA-N 0 0 394.504 3.362 20 30 GGEDRN C[C@@H](Oc1cccc(Br)c1)C(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000173960987 1426910698 /nfs/dbraw/zinc/91/06/98/1426910698.db2.gz DLSKPAVRXGCHKW-MLGOLLRUSA-N 0 0 393.281 3.374 20 30 GGEDRN C[C@H](Oc1cccc(Br)c1)C(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000173960978 1426911025 /nfs/dbraw/zinc/91/10/25/1426911025.db2.gz DLSKPAVRXGCHKW-BLLLJJGKSA-N 0 0 393.281 3.374 20 30 GGEDRN CC(C)=CC(=O)NCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)cc1 ZINC000173965371 1426913776 /nfs/dbraw/zinc/91/37/76/1426913776.db2.gz DEOZQTCVXLWTBM-IBGZPJMESA-N 0 0 375.428 3.230 20 30 GGEDRN CC(=O)N[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1cccc(C)c1)c1ccc(F)cc1F ZINC000173964724 1426913896 /nfs/dbraw/zinc/91/38/96/1426913896.db2.gz XZCIUMSAEXKHPQ-IEBWSBKVSA-N 0 0 399.397 3.188 20 30 GGEDRN CC(C)(C)C(=O)NCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)cc1 ZINC000173967808 1426914682 /nfs/dbraw/zinc/91/46/82/1426914682.db2.gz BDXPJEGQEHTSMP-GOSISDBHSA-N 0 0 377.444 3.310 20 30 GGEDRN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)[C@H](C)c2cccc(F)c2)cc1OC ZINC000173971469 1426916797 /nfs/dbraw/zinc/91/67/97/1426916797.db2.gz IZVTZJZPWWKAJJ-KDOFPFPSSA-N 0 0 398.434 3.014 20 30 GGEDRN Cc1cc(-n2cncn2)ccc1C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000173979828 1426923452 /nfs/dbraw/zinc/92/34/52/1426923452.db2.gz MFYFZJVGQOXIQL-HNNXBMFYSA-N 0 0 397.797 3.329 20 30 GGEDRN Cc1cc(-n2cncn2)ccc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000173979814 1426923520 /nfs/dbraw/zinc/92/35/20/1426923520.db2.gz MFYFZJVGQOXIQL-OAHLLOKOSA-N 0 0 397.797 3.329 20 30 GGEDRN CC(C)CC(=O)NCCC(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000173981438 1426924572 /nfs/dbraw/zinc/92/45/72/1426924572.db2.gz GWJRNBBNTTULSB-AWEZNQCLSA-N 0 0 384.263 3.193 20 30 GGEDRN COc1cc(C#N)ccc1OS(=O)(=O)Cc1ccc(Br)cc1 ZINC000173989918 1426929911 /nfs/dbraw/zinc/92/99/11/1426929911.db2.gz SMJVGIRDECLDAM-UHFFFAOYSA-N 0 0 382.235 3.238 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)Oc1ccccc1F ZINC000174002502 1426935999 /nfs/dbraw/zinc/93/59/99/1426935999.db2.gz MBANQNZCKOMHSX-INIZCTEOSA-N 0 0 385.439 3.323 20 30 GGEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)ccc1F ZINC000174004179 1426937622 /nfs/dbraw/zinc/93/76/22/1426937622.db2.gz LKQBBIGCMPCDGL-KUHUBIRLSA-N 0 0 388.464 3.123 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)Nc3ccccc3CC(F)(F)F)CC2)nc1 ZINC000174007097 1426939530 /nfs/dbraw/zinc/93/95/30/1426939530.db2.gz BERJVEDLUQFSGR-UHFFFAOYSA-N 0 0 389.381 3.412 20 30 GGEDRN C[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)Oc1ccccc1F ZINC000174008845 1426940324 /nfs/dbraw/zinc/94/03/24/1426940324.db2.gz HLGNGLDDXYRXNL-QGZVFWFLSA-N 0 0 396.466 3.387 20 30 GGEDRN CC(C)n1cc(Br)cc1C(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000174011241 1426942664 /nfs/dbraw/zinc/94/26/64/1426942664.db2.gz VBLZHCOVKVUXBY-LBPRGKRZSA-N 0 0 375.226 3.188 20 30 GGEDRN COc1ccc(C[N@@H+]2CCCN(C(=O)NCc3cc(C#N)ccc3F)CC2)cc1 ZINC000174020300 1426947792 /nfs/dbraw/zinc/94/77/92/1426947792.db2.gz HPVIGIKGUIRGGW-UHFFFAOYSA-N 0 0 396.466 3.123 20 30 GGEDRN CCCCCCNC(=O)[C@H]1CCCN(C(=O)NCc2cc(C#N)ccc2F)C1 ZINC000174022181 1426949306 /nfs/dbraw/zinc/94/93/06/1426949306.db2.gz ALKNQSMOMDYHCP-KRWDZBQOSA-N 0 0 388.487 3.315 20 30 GGEDRN CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000174022218 1426949456 /nfs/dbraw/zinc/94/94/56/1426949456.db2.gz HUAPGWLDCQZTGU-OAHLLOKOSA-N 0 0 390.459 3.144 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](CC)Cc2ccccc2)cc1 ZINC000174023252 1426949877 /nfs/dbraw/zinc/94/98/77/1426949877.db2.gz WUFXFTOGOWVELP-IBGZPJMESA-N 0 0 386.517 3.244 20 30 GGEDRN N#Cc1ccc(F)c(CNC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000174022506 1426950003 /nfs/dbraw/zinc/95/00/03/1426950003.db2.gz OJGXXDRPYYHGKS-GOSISDBHSA-N 0 0 375.350 3.259 20 30 GGEDRN CSCC[C@@H](NC(=O)NCc1cc(C#N)ccc1F)c1nnc2ccccn21 ZINC000174022694 1426950201 /nfs/dbraw/zinc/95/02/01/1426950201.db2.gz VBYTUYILCIQGKE-MRXNPFEDSA-N 0 0 398.467 3.034 20 30 GGEDRN Cn1ccnc1[C@@H](NC(=O)NCc1cc(C#N)ccc1F)c1cccc(F)c1 ZINC000174026382 1426952794 /nfs/dbraw/zinc/95/27/94/1426952794.db2.gz IWDQSHMDQIRZSF-SFHVURJKSA-N 0 0 381.386 3.159 20 30 GGEDRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NCc1cc(C#N)ccc1F ZINC000174026320 1426952883 /nfs/dbraw/zinc/95/28/83/1426952883.db2.gz QGIHTAUSZYWNDC-ZDUSSCGKSA-N 0 0 389.452 3.003 20 30 GGEDRN Cc1ccc(N2CCC[C@@H](NC(=O)NCc3cc(C#N)ccc3F)C2=O)cc1 ZINC000174026011 1426952920 /nfs/dbraw/zinc/95/29/20/1426952920.db2.gz JWJMEZCLUJOEES-LJQANCHMSA-N 0 0 380.423 3.001 20 30 GGEDRN COc1cccc(-c2noc([C@@H](C)NC(=O)NCc3cc(C#N)ccc3F)n2)c1 ZINC000174028881 1426954259 /nfs/dbraw/zinc/95/42/59/1426954259.db2.gz PDTVMRDDTJQZBD-GFCCVEGCSA-N 0 0 395.394 3.316 20 30 GGEDRN CN(C[C@@H]1CCCN1C(=O)NCc1cc(C#N)ccc1F)C(=O)OC(C)(C)C ZINC000174031811 1426954897 /nfs/dbraw/zinc/95/48/97/1426954897.db2.gz GGFOHCQZWOBAOO-INIZCTEOSA-N 0 0 390.459 3.238 20 30 GGEDRN C=CCn1c(S[C@@H](C)c2nc(-c3nc[nH]n3)no2)nnc1-c1ccoc1C ZINC000174033418 1426956958 /nfs/dbraw/zinc/95/69/58/1426956958.db2.gz UFENFDAJDAISKO-JTQLQIEISA-N 0 0 384.425 3.054 20 30 GGEDRN Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nc(-c3nc[nH]n3)no2)n1 ZINC000174034763 1426957848 /nfs/dbraw/zinc/95/78/48/1426957848.db2.gz AGTUUACWOZQTOZ-ZETCQYMHSA-N 0 0 381.343 3.302 20 30 GGEDRN COC(=O)c1cc(S(=O)(=O)N(CCC#N)c2ccc(F)cc2)ccc1C ZINC000174048711 1426971026 /nfs/dbraw/zinc/97/10/26/1426971026.db2.gz YJWGOMWLJLBVEE-UHFFFAOYSA-N 0 0 376.409 3.030 20 30 GGEDRN C[C@H](Nc1ccc(N2CCOCC2)c(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000174050300 1426972024 /nfs/dbraw/zinc/97/20/24/1426972024.db2.gz GBKRXDMSWQEKAY-KRWDZBQOSA-N 0 0 396.466 3.410 20 30 GGEDRN C[C@H](Nc1ccc2c(c1)CCC(=O)N2C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000174058080 1426978038 /nfs/dbraw/zinc/97/80/38/1426978038.db2.gz NAJHNSBCRBVBMY-HNNXBMFYSA-N 0 0 394.450 3.482 20 30 GGEDRN C#CCCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000174057799 1426978107 /nfs/dbraw/zinc/97/81/07/1426978107.db2.gz WOGVHKMXEWXRDL-CQSZACIVSA-N 0 0 378.266 3.176 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(F)cc2OC(F)F)c1 ZINC000174059191 1426979200 /nfs/dbraw/zinc/97/92/00/1426979200.db2.gz VAUVKQPXJSQFFH-UHFFFAOYSA-N 0 0 377.322 3.169 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000174059005 1426979217 /nfs/dbraw/zinc/97/92/17/1426979217.db2.gz NSQBLWLKAHZRJN-UHFFFAOYSA-N 0 0 383.835 3.439 20 30 GGEDRN C=CCn1c(C)nnc1S(=O)(=O)[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000174066994 1426984480 /nfs/dbraw/zinc/98/44/80/1426984480.db2.gz HVGGIZAMXKCCFF-SNVBAGLBSA-N 0 0 393.856 3.011 20 30 GGEDRN COc1ccc([C@@H]2[C@@H](C(=O)OCC#Cc3ccccc3)CCC(=O)N2C)cc1 ZINC000174066515 1426984534 /nfs/dbraw/zinc/98/45/34/1426984534.db2.gz XABJYMVQXGCCBW-RBBKRZOGSA-N 0 0 377.440 3.200 20 30 GGEDRN CCCCCC[C@@]1(C)NC(=O)N(Cc2nnc(-c3ccc(C#N)cc3)o2)C1=O ZINC000174069459 1426985843 /nfs/dbraw/zinc/98/58/43/1426985843.db2.gz NTFGQCBRYIBUQU-HXUWFJFHSA-N 0 0 381.436 3.389 20 30 GGEDRN CCN(C(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O)c1ccc(C#N)cc1 ZINC000174070689 1426986439 /nfs/dbraw/zinc/98/64/39/1426986439.db2.gz PPAYBEYGSHTSCV-IVZQSRNASA-N 0 0 396.491 3.048 20 30 GGEDRN CCN(C(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C)c1ccc(C#N)cc1 ZINC000174071672 1426987144 /nfs/dbraw/zinc/98/71/44/1426987144.db2.gz ZHLABQHKDGAOBB-UHFFFAOYSA-N 0 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GGEDRN N#CCN1CCN(C(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)CC1 ZINC000174343072 1427111569 /nfs/dbraw/zinc/11/15/69/1427111569.db2.gz WGAGVTOOYCNQKK-UHFFFAOYSA-N 0 0 383.879 3.129 20 30 GGEDRN N#CCN1CCN(C(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)CC1 ZINC000174343033 1427111676 /nfs/dbraw/zinc/11/16/76/1427111676.db2.gz DGYSIUBAVNQQGX-UHFFFAOYSA-N 0 0 383.879 3.129 20 30 GGEDRN N#CCN1CCN(C(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)CC1 ZINC000174346880 1427113238 /nfs/dbraw/zinc/11/32/38/1427113238.db2.gz XBOUCYPRUVWQNJ-LJQANCHMSA-N 0 0 387.455 3.466 20 30 GGEDRN N#CCN1CCN(C(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)CC1 ZINC000174346868 1427113406 /nfs/dbraw/zinc/11/34/06/1427113406.db2.gz XBOUCYPRUVWQNJ-IBGZPJMESA-N 0 0 387.455 3.466 20 30 GGEDRN Cc1cc(-c2cc(C(=O)N3CCN(CC#N)CC3)c3c(C)noc3n2)c(C)s1 ZINC000174349513 1427114557 /nfs/dbraw/zinc/11/45/57/1427114557.db2.gz AMVXBKNMHGDBBC-UHFFFAOYSA-N 0 0 395.488 3.158 20 30 GGEDRN Cn1cc(N2CC[C@H](Nc3ccc(Oc4ccccc4C#N)c(F)c3)C2=O)cn1 ZINC000174349637 1427114656 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Cc1cccc(NC(=O)C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1C#N ZINC000174704186 1427319785 /nfs/dbraw/zinc/31/97/85/1427319785.db2.gz KNWGJIZNFUMESV-OAHLLOKOSA-N 0 0 383.473 3.075 20 30 GGEDRN Cc1c2ccccc2oc1[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)C(C)C ZINC000174715240 1427326558 /nfs/dbraw/zinc/32/65/58/1427326558.db2.gz RFWWNFJWPKBJTN-WEACTYFJSA-N 0 0 395.459 3.471 20 30 GGEDRN N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000174716274 1427327230 /nfs/dbraw/zinc/32/72/30/1427327230.db2.gz XMDQBMQXJIFCKH-OAHLLOKOSA-N 0 0 379.485 3.437 20 30 GGEDRN C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000174721235 1427330902 /nfs/dbraw/zinc/33/09/02/1427330902.db2.gz ZVSFBIHVAZZYKA-OAHLLOKOSA-N 0 0 397.479 3.271 20 30 GGEDRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)NCCCCC#N)c1ccccc1 ZINC000174726615 1427333266 /nfs/dbraw/zinc/33/32/66/1427333266.db2.gz YBMYWAKHECHLKI-FQEVSTJZSA-N 0 0 378.476 3.254 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000174728927 1427334531 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CN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000174743018 1427343820 /nfs/dbraw/zinc/34/38/20/1427343820.db2.gz SUJNMAIMZJILNV-UHFFFAOYSA-N 0 0 397.378 3.080 20 30 GGEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1scc(C)c1C(=O)OCC ZINC000174743558 1427343829 /nfs/dbraw/zinc/34/38/29/1427343829.db2.gz UEYAVKPHZUBJIU-UHFFFAOYSA-N 0 0 386.473 3.387 20 30 GGEDRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)OCC3(CC#N)CC3)c2)C1 ZINC000174743060 1427343903 /nfs/dbraw/zinc/34/39/03/1427343903.db2.gz HSDQHCANSIDYQT-HOTGVXAUSA-N 0 0 390.505 3.204 20 30 GGEDRN N#Cc1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1C(F)(F)F ZINC000174743221 1427343986 /nfs/dbraw/zinc/34/39/86/1427343986.db2.gz GWGONOMATDSZTJ-UHFFFAOYSA-N 0 0 394.330 3.484 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)NC(=O)CCN2C ZINC000174744403 1427344289 /nfs/dbraw/zinc/34/42/89/1427344289.db2.gz JJQZOJOSKYLFHA-UHFFFAOYSA-N 0 0 378.432 3.376 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC1(CC#N)CC1 ZINC000174746233 1427344949 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C=CCn1c(SCC(=O)NC[C@](C)(O)CC)nnc1-c1ccc(Cl)cc1 ZINC000174763508 1427354563 /nfs/dbraw/zinc/35/45/63/1427354563.db2.gz KLXKKLFAIVGQDV-GOSISDBHSA-N 0 0 394.928 3.154 20 30 GGEDRN C#Cc1cccc(N(Cc2ccco2)C(=O)c2cn(CC(=O)C(C)(C)C)nn2)c1 ZINC000174769515 1427357513 /nfs/dbraw/zinc/35/75/13/1427357513.db2.gz MIQVUTPGKNLQFD-UHFFFAOYSA-N 0 0 390.443 3.315 20 30 GGEDRN COc1ccccc1C1(CNC(=O)C(=O)Nc2cccc(C)c2C#N)CCCC1 ZINC000174780793 1427363304 /nfs/dbraw/zinc/36/33/04/1427363304.db2.gz PVIYDOTYYHKQGA-UHFFFAOYSA-N 0 0 391.471 3.442 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)c1C#N ZINC000174780547 1427363554 /nfs/dbraw/zinc/36/35/54/1427363554.db2.gz FUMUWORVBSJZNX-GOSISDBHSA-N 0 0 377.444 3.013 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](CC(C)C)C2)cc1 ZINC000174781886 1427364469 /nfs/dbraw/zinc/36/44/69/1427364469.db2.gz FYYAGDBFNXKIHE-INIZCTEOSA-N 0 0 379.526 3.393 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N2CCC(COc3ccccc3)CC2)c1C#N ZINC000174784873 1427366104 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GGEDRN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)CSc2ccc(C#N)cc2)n1 ZINC000174796597 1427373376 /nfs/dbraw/zinc/37/33/76/1427373376.db2.gz RGKSADUYMINRSL-AWEZNQCLSA-N 0 0 388.493 3.426 20 30 GGEDRN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)CSc2ccc(C#N)cc2)n1 ZINC000174796608 1427373499 /nfs/dbraw/zinc/37/34/99/1427373499.db2.gz RGKSADUYMINRSL-CQSZACIVSA-N 0 0 388.493 3.426 20 30 GGEDRN C=CCc1ccccc1OC[C@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000174797734 1427374333 /nfs/dbraw/zinc/37/43/33/1427374333.db2.gz CDERNXHLPMVQDO-GOSISDBHSA-N 0 0 380.404 3.022 20 30 GGEDRN O=C(CCNC(=O)C1N=CC=CC1=O)Nc1cccc(Nc2ccccc2)c1 ZINC000174806836 1427378934 /nfs/dbraw/zinc/37/89/34/1427378934.db2.gz VSEFDHYNKGQGFL-MRCUWXFGSA-N 0 0 376.416 3.285 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)c1C#N ZINC000174812393 1427381754 /nfs/dbraw/zinc/38/17/54/1427381754.db2.gz IPHCUNBFXSOUOZ-GOSISDBHSA-N 0 0 395.434 3.152 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCCc2cc(F)cc(F)c2)cc1C(F)(F)F ZINC000174815527 1427383524 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378.494 3.211 20 30 GGEDRN C#CCOc1ccc(F)cc1NCC(=O)Nc1ccccc1N1CCCC1=O ZINC000174894993 1427432386 /nfs/dbraw/zinc/43/23/86/1427432386.db2.gz PMRJBNRYQZBFBC-UHFFFAOYSA-N 0 0 381.407 3.015 20 30 GGEDRN CS[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000174898557 1427434475 /nfs/dbraw/zinc/43/44/75/1427434475.db2.gz JEVOPBQLBDUOIN-AAEUAGOBSA-N 0 0 385.411 3.306 20 30 GGEDRN CCc1nsc(N2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)n1 ZINC000174903640 1427437380 /nfs/dbraw/zinc/43/73/80/1427437380.db2.gz IQIPMVVWMFOMFP-UHFFFAOYSA-N 0 0 384.509 3.256 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cc1 ZINC000174904121 1427437544 /nfs/dbraw/zinc/43/75/44/1427437544.db2.gz HMUYYKCKMGICQM-NRFANRHFSA-N 0 0 392.503 3.371 20 30 GGEDRN CS(=O)(=O)CCOc1ccc(Cl)cc1NCc1cc(C#N)ccc1F ZINC000174903384 1427437659 /nfs/dbraw/zinc/43/76/59/1427437659.db2.gz WYGCEFRSDOXUPP-UHFFFAOYSA-N 0 0 382.844 3.386 20 30 GGEDRN Cc1nsc(N2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)CC2)n1 ZINC000174917167 1427445024 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ZINC000175004087 1427491585 /nfs/dbraw/zinc/49/15/85/1427491585.db2.gz NGALUSIFMJQYPH-MRXNPFEDSA-N 0 0 377.872 3.244 20 30 GGEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1N1CCOCC1 ZINC000175012493 1427496983 /nfs/dbraw/zinc/49/69/83/1427496983.db2.gz UCVVURSVSORZEZ-UHFFFAOYSA-N 0 0 388.389 3.324 20 30 GGEDRN Cc1nn(C)c(C)c1C[C@H](C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175013246 1427497460 /nfs/dbraw/zinc/49/74/60/1427497460.db2.gz DIBZCUCYTMGKBS-ZDUSSCGKSA-N 0 0 377.410 3.402 20 30 GGEDRN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000175012620 1427497466 /nfs/dbraw/zinc/49/74/66/1427497466.db2.gz MOANWJVJWLJRHK-WBVHZDCISA-N 0 0 394.437 3.458 20 30 GGEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CNC1(c2nccs2)CCCC1 ZINC000175014757 1427498594 /nfs/dbraw/zinc/49/85/94/1427498594.db2.gz MDENPNQBQNJDEQ-UHFFFAOYSA-N 0 0 392.488 3.198 20 30 GGEDRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Br)cc2)[C@H](C#N)C1 ZINC000175015257 1427499388 /nfs/dbraw/zinc/49/93/88/1427499388.db2.gz ZOVUBWYIDGDPCQ-CQSZACIVSA-N 0 0 394.269 3.034 20 30 GGEDRN CC(C)(C)OC(=O)N1CCN(C(=O)/C=C/c2nc3ccccc3s2)[C@H](C#N)C1 ZINC000175015783 1427499461 /nfs/dbraw/zinc/49/94/61/1427499461.db2.gz RUGIXCNENOBXNG-MYSGNRETSA-N 0 0 398.488 3.281 20 30 GGEDRN C[C@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1cccc(F)c1 ZINC000175017136 1427499996 /nfs/dbraw/zinc/49/99/96/1427499996.db2.gz LEDIBNMSFMAXKQ-PBHICJAKSA-N 0 0 375.444 3.291 20 30 GGEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000175017004 1427500053 /nfs/dbraw/zinc/50/00/53/1427500053.db2.gz JMSPLFOTIKAXFA-MRXNPFEDSA-N 0 0 390.336 3.438 20 30 GGEDRN C[C@@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1cccc(F)c1 ZINC000175017153 1427500264 /nfs/dbraw/zinc/50/02/64/1427500264.db2.gz LEDIBNMSFMAXKQ-WMLDXEAASA-N 0 0 375.444 3.291 20 30 GGEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1Cn1cncn1 ZINC000175018459 1427501396 /nfs/dbraw/zinc/50/13/96/1427501396.db2.gz BORVHLFOJHNCEJ-UHFFFAOYSA-N 0 0 384.361 3.127 20 30 GGEDRN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175021946 1427503834 /nfs/dbraw/zinc/50/38/34/1427503834.db2.gz VDQGTQMYSSJUAJ-UGSOOPFHSA-N 0 0 375.346 3.402 20 30 GGEDRN O=C(COCCOc1ccccc1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175022364 1427504173 /nfs/dbraw/zinc/50/41/73/1427504173.db2.gz MDWSLWIQEAVZRX-UHFFFAOYSA-N 0 0 377.362 3.269 20 30 GGEDRN CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000175021882 1427504260 /nfs/dbraw/zinc/50/42/60/1427504260.db2.gz QWSHSRQNQMOOMC-HXUWFJFHSA-N 0 0 397.450 3.455 20 30 GGEDRN CCOC(=O)N1CCC[C@H](C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000175022198 1427504294 /nfs/dbraw/zinc/50/42/94/1427504294.db2.gz MBBYEVNTKQDIRL-HNNXBMFYSA-N 0 0 382.382 3.042 20 30 GGEDRN CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175023098 1427505015 /nfs/dbraw/zinc/50/50/15/1427505015.db2.gz CMUYLFMLMWZFRF-HNNXBMFYSA-N 0 0 398.450 3.121 20 30 GGEDRN CCCC(=O)N1CCCC[C@@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175025459 1427506437 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3.341 20 30 GGEDRN NC(=O)COc1cccc(CNC(=O)Nc2ccccc2C#Cc2ccccc2)c1 ZINC000175045849 1427517059 /nfs/dbraw/zinc/51/70/59/1427517059.db2.gz FDOZUWPYNJZLRY-UHFFFAOYSA-N 0 0 399.450 3.272 20 30 GGEDRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000175047852 1427518355 /nfs/dbraw/zinc/51/83/55/1427518355.db2.gz VGIMDUUCTVEEKI-KRWDZBQOSA-N 0 0 384.501 3.373 20 30 GGEDRN CCN(C(=O)Nc1ccccc1C#Cc1ccccc1)[C@H](C)CS(C)(=O)=O ZINC000175049237 1427519203 /nfs/dbraw/zinc/51/92/03/1427519203.db2.gz MPKBBRRERQNUCO-QGZVFWFLSA-N 0 0 384.501 3.373 20 30 GGEDRN O=C(CC1S/C(=N\c2cccc3c2CCCC3)NC1=O)NCc1ccccc1 ZINC000175063875 1427526617 /nfs/dbraw/zinc/52/66/17/1427526617.db2.gz CDWQZTQIRWERRR-IBGZPJMESA-N 0 0 393.512 3.491 20 30 GGEDRN N#Cc1ccc(NC(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 ZINC000175068395 1427529449 /nfs/dbraw/zinc/52/94/49/1427529449.db2.gz XXDSHQYYONJNMP-UHFFFAOYSA-N 0 0 380.423 3.006 20 30 GGEDRN CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000175070379 1427530013 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382.485 3.306 20 30 GGEDRN N#CCOc1ccc(CNC(=O)NCc2nccn2CCc2ccccc2)cc1 ZINC000175407081 1427737395 /nfs/dbraw/zinc/73/73/95/1427737395.db2.gz NTAMDXGRJJICJE-UHFFFAOYSA-N 0 0 389.459 3.028 20 30 GGEDRN CC1CCN(c2ccc(CNC(=O)NCc3cc(C#N)ccc3F)cn2)CC1 ZINC000175415877 1427742830 /nfs/dbraw/zinc/74/28/30/1427742830.db2.gz HGQSELYUVFQRKE-UHFFFAOYSA-N 0 0 381.455 3.328 20 30 GGEDRN CN(C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)C1CCC1 ZINC000175462240 1427767563 /nfs/dbraw/zinc/76/75/63/1427767563.db2.gz GVXLYYNOXCSQKI-DYTRJAOYSA-N 0 0 392.525 3.296 20 30 GGEDRN C=CCN(CCc1ccccc1)C(=O)NC1CCN(c2cc(CC)ncn2)CC1 ZINC000175462023 1427767651 /nfs/dbraw/zinc/76/76/51/1427767651.db2.gz MMLNQPLZGCGZIZ-UHFFFAOYSA-N 0 0 393.535 3.448 20 30 GGEDRN CC(C)[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1cccnc1 ZINC000175468936 1427771340 /nfs/dbraw/zinc/77/13/40/1427771340.db2.gz XJFGKBHAHSBGGS-LJQANCHMSA-N 0 0 395.482 3.364 20 30 GGEDRN CCN(CC(=O)Nc1c(F)cccc1F)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000175476888 1427775852 /nfs/dbraw/zinc/77/58/52/1427775852.db2.gz AUOGTCCFSMEMRF-UHFFFAOYSA-N 0 0 397.385 3.347 20 30 GGEDRN CC(C)[C@H](CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1cccnc1 ZINC000175479739 1427777556 /nfs/dbraw/zinc/77/75/56/1427777556.db2.gz ZGXYQTUWVGTQMB-IBGZPJMESA-N 0 0 395.482 3.364 20 30 GGEDRN COc1cccc([C@H](NC(=O)N2CCO[C@@H](C#N)C2)c2ccccc2Cl)c1 ZINC000175482779 1427779490 /nfs/dbraw/zinc/77/94/90/1427779490.db2.gz YNGGSMSVVLWZPC-LPHOPBHVSA-N 0 0 385.851 3.372 20 30 GGEDRN COc1cccc([C@H](NC(=O)N2CCO[C@H](C#N)C2)c2ccccc2Cl)c1 ZINC000175482734 1427780034 /nfs/dbraw/zinc/78/00/34/1427780034.db2.gz YNGGSMSVVLWZPC-APWZRJJASA-N 0 0 385.851 3.372 20 30 GGEDRN C=CCN(CC=C)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000175488451 1427783146 /nfs/dbraw/zinc/78/31/46/1427783146.db2.gz CYTIGXYMUSVGHI-UHFFFAOYSA-N 0 0 385.489 3.371 20 30 GGEDRN N#Cc1cccc(CNC(=O)Nc2cc(C(F)(F)F)cc3c2OCC(=O)N3)c1 ZINC000175491700 1427785484 /nfs/dbraw/zinc/78/54/84/1427785484.db2.gz IUJNVLYHFKVMSJ-UHFFFAOYSA-N 0 0 390.321 3.230 20 30 GGEDRN CS(=O)(=O)CC1(CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000175494831 1427788830 /nfs/dbraw/zinc/78/88/30/1427788830.db2.gz YYNBPBUQYZLRCZ-UHFFFAOYSA-N 0 0 382.485 3.033 20 30 GGEDRN N#CCOc1ccc(CNC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000175495713 1427789269 /nfs/dbraw/zinc/78/92/69/1427789269.db2.gz FRPHFCFEWNIMMR-AEFFLSMTSA-N 0 0 385.489 3.448 20 30 GGEDRN N#CCOc1ccc(CNC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000175495657 1427789553 /nfs/dbraw/zinc/78/95/53/1427789553.db2.gz FRPHFCFEWNIMMR-FUHWJXTLSA-N 0 0 385.489 3.448 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2scnc2C(C)(C)C)cc1 ZINC000175504999 1427794509 /nfs/dbraw/zinc/79/45/09/1427794509.db2.gz SFURXSSFKAWAET-UHFFFAOYSA-N 0 0 393.534 3.499 20 30 GGEDRN N#CCSc1cccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000175524680 1427803492 /nfs/dbraw/zinc/80/34/92/1427803492.db2.gz DRTSYJXSEULVJZ-UHFFFAOYSA-N 0 0 382.445 3.173 20 30 GGEDRN C=CCOc1ccccc1CNC(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1 ZINC000175526025 1427803906 /nfs/dbraw/zinc/80/39/06/1427803906.db2.gz GAZHSAVXDPRBMJ-QGZVFWFLSA-N 0 0 387.867 3.321 20 30 GGEDRN Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(Sc3ccccc3C#N)cc1)CC2 ZINC000175529032 1427804829 /nfs/dbraw/zinc/80/48/29/1427804829.db2.gz RNVKLBSOPPOMLH-QGZVFWFLSA-N 0 0 389.484 3.354 20 30 GGEDRN N#Cc1ccc(CSCC(=O)N2CCn3c(nnc3-c3ccccc3)C2)cc1 ZINC000175548074 1427811118 /nfs/dbraw/zinc/81/11/18/1427811118.db2.gz DCAIMCQIVXCFNU-UHFFFAOYSA-N 0 0 389.484 3.092 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000175566202 1427817051 /nfs/dbraw/zinc/81/70/51/1427817051.db2.gz JCHGPSCCANICFS-GOSISDBHSA-N 0 0 396.447 3.251 20 30 GGEDRN C=CCOc1cccc(NC(=O)N2CCCN(c3nc(CC)ns3)CC2)c1 ZINC000175593907 1427825692 /nfs/dbraw/zinc/82/56/92/1427825692.db2.gz USLLUZZBHKWNRH-UHFFFAOYSA-N 0 0 387.509 3.410 20 30 GGEDRN C=CCOc1cccc(NC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)c1 ZINC000175594370 1427825763 /nfs/dbraw/zinc/82/57/63/1427825763.db2.gz PBVRAHGPRLOKGU-UHFFFAOYSA-N 0 0 383.423 3.267 20 30 GGEDRN CCOC(=O)C[C@H](NC(=O)NCc1cc(C#N)ccc1F)c1ccccc1C ZINC000175594547 1427826128 /nfs/dbraw/zinc/82/61/28/1427826128.db2.gz XDFUBSGHTRSMAN-IBGZPJMESA-N 0 0 383.423 3.500 20 30 GGEDRN CCOC(=O)C[C@@H](NC(=O)NCc1cc(C#N)ccc1F)c1ccccc1C ZINC000175594569 1427826215 /nfs/dbraw/zinc/82/62/15/1427826215.db2.gz XDFUBSGHTRSMAN-LJQANCHMSA-N 0 0 383.423 3.500 20 30 GGEDRN Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(SCC#N)c3)CC2)cc1 ZINC000175609215 1427830719 /nfs/dbraw/zinc/83/07/19/1427830719.db2.gz YQGHPXIMRVXKKX-UHFFFAOYSA-N 0 0 379.485 3.209 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)N(CCO)[C@H]1CCc2ccccc21 ZINC000175613851 1427831980 /nfs/dbraw/zinc/83/19/80/1427831980.db2.gz CRKIJRLMBATEOR-NRFANRHFSA-N 0 0 395.528 3.483 20 30 GGEDRN CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000175615275 1427832620 /nfs/dbraw/zinc/83/26/20/1427832620.db2.gz UYWSZTQPNFKOGU-SFHVURJKSA-N 0 0 379.485 3.402 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000175622156 1427835490 /nfs/dbraw/zinc/83/54/90/1427835490.db2.gz KXQMCBOOFASKQM-UHFFFAOYSA-N 0 0 379.464 3.451 20 30 GGEDRN N#Cc1ccc(C(=O)NCC(=O)NCCc2nc(C3CCCCC3)cs2)cc1 ZINC000175626432 1427836767 /nfs/dbraw/zinc/83/67/67/1427836767.db2.gz RCEYPUNDHKKYJD-UHFFFAOYSA-N 0 0 396.516 3.151 20 30 GGEDRN Cc1ccc(NC(=O)C2CCN(C(=O)c3cccc(SCC#N)c3)CC2)nc1 ZINC000175643479 1427841946 /nfs/dbraw/zinc/84/19/46/1427841946.db2.gz ATXQIWNTDWGVGI-UHFFFAOYSA-N 0 0 394.500 3.497 20 30 GGEDRN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(SCC#N)c3)C2)nc1 ZINC000175643582 1427842108 /nfs/dbraw/zinc/84/21/08/1427842108.db2.gz LDXQUBDHPLEFLO-KRWDZBQOSA-N 0 0 394.500 3.497 20 30 GGEDRN N#Cc1cnn(-c2ccc(C(=O)N(Cc3cccc(O)c3)CC3CC3)cc2)c1N ZINC000175647010 1427843408 /nfs/dbraw/zinc/84/34/08/1427843408.db2.gz WXELHYIJECKVGR-UHFFFAOYSA-N 0 0 387.443 3.084 20 30 GGEDRN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000175654071 1427845650 /nfs/dbraw/zinc/84/56/50/1427845650.db2.gz DXLUTMZYMHMLEG-VFNWGFHPSA-N 0 0 393.466 3.248 20 30 GGEDRN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000175654040 1427845751 /nfs/dbraw/zinc/84/57/51/1427845751.db2.gz DXLUTMZYMHMLEG-QVKFZJNVSA-N 0 0 393.466 3.248 20 30 GGEDRN CCS(=O)(=O)C[C@H](C)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000175657841 1427847196 /nfs/dbraw/zinc/84/71/96/1427847196.db2.gz IWNNISDLYMSKJA-AWEZNQCLSA-N 0 0 388.514 3.262 20 30 GGEDRN Cc1ccc([C@H](CNC(=O)c2cccc(SCC#N)c2)N2CCOCC2)cc1 ZINC000175658368 1427847547 /nfs/dbraw/zinc/84/75/47/1427847547.db2.gz AKAJZNKTILJAPO-NRFANRHFSA-N 0 0 395.528 3.414 20 30 GGEDRN CC(=O)N1CC[C@@H](C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000175661391 1427848331 /nfs/dbraw/zinc/84/83/31/1427848331.db2.gz VALSGGZASMPAIB-GOSISDBHSA-N 0 0 377.444 3.139 20 30 GGEDRN CC(=O)N1CC[C@H](C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000175661373 1427848453 /nfs/dbraw/zinc/84/84/53/1427848453.db2.gz VALSGGZASMPAIB-SFHVURJKSA-N 0 0 377.444 3.139 20 30 GGEDRN CCO[C@H]1C[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C12CCC2 ZINC000175665700 1427850282 /nfs/dbraw/zinc/85/02/82/1427850282.db2.gz BBRVBHFSKRVLSI-UXHICEINSA-N 0 0 383.492 3.459 20 30 GGEDRN N#C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000175672985 1427852153 /nfs/dbraw/zinc/85/21/53/1427852153.db2.gz FWDHSSWHFWHONF-KRWDZBQOSA-N 0 0 393.871 3.050 20 30 GGEDRN CC(C)N1CC[C@@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)C1=O ZINC000175681389 1427855139 /nfs/dbraw/zinc/85/51/39/1427855139.db2.gz IBXSXIBNEBOGCZ-GOSISDBHSA-N 0 0 379.485 3.449 20 30 GGEDRN C#Cc1cccc(NC(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000175686277 1427857309 /nfs/dbraw/zinc/85/73/09/1427857309.db2.gz CHYWOYWRDRQUFC-UHFFFAOYSA-N 0 0 375.472 3.271 20 30 GGEDRN N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(C(N)=O)o3)cc2)c1 ZINC000175700432 1427863426 /nfs/dbraw/zinc/86/34/26/1427863426.db2.gz DUMHKWMCLBUIFU-UHFFFAOYSA-N 0 0 376.372 3.364 20 30 GGEDRN C[S@@](=O)c1ccc(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000175703739 1427864757 /nfs/dbraw/zinc/86/47/57/1427864757.db2.gz WXNXZHYSPJFYJV-MUUNZHRXSA-N 0 0 397.500 3.049 20 30 GGEDRN C[C@H](CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccccc1 ZINC000175711059 1427867138 /nfs/dbraw/zinc/86/71/38/1427867138.db2.gz WSIHCSQWNQYXKS-OAHLLOKOSA-N 0 0 388.389 3.382 20 30 GGEDRN O=C(CNC(=O)OCc1ccccc1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175713567 1427867512 /nfs/dbraw/zinc/86/75/12/1427867512.db2.gz HTEDRLMWBDVEJU-UHFFFAOYSA-N 0 0 390.361 3.100 20 30 GGEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000175714277 1427867815 /nfs/dbraw/zinc/86/78/15/1427867815.db2.gz CPZRNMYIVNYBKK-CQSZACIVSA-N 0 0 392.343 3.447 20 30 GGEDRN O=C(CCC1CCCC1)NCC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175716361 1427868245 /nfs/dbraw/zinc/86/82/45/1427868245.db2.gz MHEYWHBACCLDJG-UHFFFAOYSA-N 0 0 380.410 3.260 20 30 GGEDRN CCCC(=O)N1CCC[C@H](C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000175716761 1427868388 /nfs/dbraw/zinc/86/83/88/1427868388.db2.gz PILONHBKDVEQLN-INIZCTEOSA-N 0 0 380.410 3.212 20 30 GGEDRN Cc1cc(C)nc(SCC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000175718202 1427868641 /nfs/dbraw/zinc/86/86/41/1427868641.db2.gz WGPCUZVAUOQKNL-UHFFFAOYSA-N 0 0 379.407 3.372 20 30 GGEDRN C=C(Br)CNC(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000175722599 1427870024 /nfs/dbraw/zinc/87/00/24/1427870024.db2.gz GSKVMWZOAHZBSW-CQSZACIVSA-N 0 0 392.297 3.221 20 30 GGEDRN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)NCc1cc(C#N)ccc1F ZINC000175729684 1427871872 /nfs/dbraw/zinc/87/18/72/1427871872.db2.gz IIWWOEQSFQIQHT-UHFFFAOYSA-N 0 0 396.422 3.264 20 30 GGEDRN C=CCN(Cc1ccccc1F)C(=O)NCCCN1C(=O)COc2ccccc21 ZINC000175730838 1427871901 /nfs/dbraw/zinc/87/19/01/1427871901.db2.gz WILYJTYHQSOFQJ-UHFFFAOYSA-N 0 0 397.450 3.339 20 30 GGEDRN COc1ccccc1[C@@H](NC(=O)Nc1cc(C#N)ccc1C)c1noc(C)n1 ZINC000175732757 1427872988 /nfs/dbraw/zinc/87/29/88/1427872988.db2.gz CZDWKTBNYAZZDA-GOSISDBHSA-N 0 0 377.404 3.478 20 30 GGEDRN C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1cccc(OC(F)(F)F)c1 ZINC000175740720 1427875624 /nfs/dbraw/zinc/87/56/24/1427875624.db2.gz NDWVSXCCBOYZPF-GFCCVEGCSA-N 0 0 391.349 3.064 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)N1CCN(c2ncnc3ccsc32)CC1 ZINC000175748234 1427877897 /nfs/dbraw/zinc/87/78/97/1427877897.db2.gz UOVHNSJNGJEJEE-UHFFFAOYSA-N 0 0 378.461 3.226 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)NCCc2csc(-c3ccccc3)n2)c1 ZINC000175747940 1427878001 /nfs/dbraw/zinc/87/80/01/1427878001.db2.gz RFOWVSQYSNYBOZ-UHFFFAOYSA-N 0 0 383.498 3.344 20 30 GGEDRN C[C@@H](OC(=O)CSCc1cc(=O)n2ccsc2n1)c1ccc(C#N)cc1 ZINC000175755250 1427880252 /nfs/dbraw/zinc/88/02/52/1427880252.db2.gz YSSGPWDZQWWXFV-GFCCVEGCSA-N 0 0 385.470 3.165 20 30 GGEDRN C#CCOc1ccc(C(=O)Nc2ncc(I)cc2C)cc1 ZINC000175758561 1427881552 /nfs/dbraw/zinc/88/15/52/1427881552.db2.gz AGAZCDLXBVBLAC-UHFFFAOYSA-N 0 0 392.196 3.259 20 30 GGEDRN C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000175760863 1427882240 /nfs/dbraw/zinc/88/22/40/1427882240.db2.gz TVINPYCBFBZJBF-CYBMUJFWSA-N 0 0 392.864 3.137 20 30 GGEDRN C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000175760845 1427882284 /nfs/dbraw/zinc/88/22/84/1427882284.db2.gz TVINPYCBFBZJBF-ZDUSSCGKSA-N 0 0 392.864 3.137 20 30 GGEDRN C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccc(C#N)cc1 ZINC000175768285 1427885260 /nfs/dbraw/zinc/88/52/60/1427885260.db2.gz AKJHZYBWELQNTH-LBPRGKRZSA-N 0 0 392.864 3.380 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O ZINC000175769194 1427885986 /nfs/dbraw/zinc/88/59/86/1427885986.db2.gz WOGSDLYCMCKLNI-FQEVSTJZSA-N 0 0 390.443 3.124 20 30 GGEDRN C[C@@H](OC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000175770446 1427886616 /nfs/dbraw/zinc/88/66/16/1427886616.db2.gz QMDGYHVJAKALPV-QGZVFWFLSA-N 0 0 392.455 3.480 20 30 GGEDRN N#CCSc1cccc(C(=O)Nc2cc(C3CC3)nn2-c2ncccn2)c1 ZINC000175779154 1427889959 /nfs/dbraw/zinc/88/99/59/1427889959.db2.gz JBFDRMMQUBLREV-UHFFFAOYSA-N 0 0 376.445 3.408 20 30 GGEDRN COC(=O)c1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)n(-c2ccccc2)n1 ZINC000175780059 1427890134 /nfs/dbraw/zinc/89/01/34/1427890134.db2.gz IIGXBUCEHZHKEC-CQSZACIVSA-N 0 0 375.384 3.449 20 30 GGEDRN C[S@](=O)c1ccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000175781191 1427890654 /nfs/dbraw/zinc/89/06/54/1427890654.db2.gz DQQOOZIEHPLQNV-MHZLTWQESA-N 0 0 382.489 3.040 20 30 GGEDRN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000175788808 1427893018 /nfs/dbraw/zinc/89/30/18/1427893018.db2.gz ASTYBKCTEZIPFN-HNNXBMFYSA-N 0 0 384.457 3.325 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000175789356 1427893093 /nfs/dbraw/zinc/89/30/93/1427893093.db2.gz FQEGYNFNRPMMGQ-UHFFFAOYSA-N 0 0 390.487 3.470 20 30 GGEDRN CCCNc1ccc(C#N)cc1NC(=O)CCc1nc(-c2ccccn2)no1 ZINC000175789495 1427893434 /nfs/dbraw/zinc/89/34/34/1427893434.db2.gz UZRNOXZAEOGZOG-UHFFFAOYSA-N 0 0 376.420 3.396 20 30 GGEDRN CCc1ccc(C(C)(C)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000175800566 1427897389 /nfs/dbraw/zinc/89/73/89/1427897389.db2.gz DNNDITXDLKYMFO-UHFFFAOYSA-N 0 0 384.501 3.087 20 30 GGEDRN N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000826380585 1427897553 /nfs/dbraw/zinc/89/75/53/1427897553.db2.gz GHLNJGHXHXNHQB-UHFFFAOYSA-N 0 0 376.439 3.500 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)NCCc2csc(-c3ccccc3)n2)c1C#N ZINC000175807975 1427901384 /nfs/dbraw/zinc/90/13/84/1427901384.db2.gz PKAMCYOPEBUQGD-UHFFFAOYSA-N 0 0 390.468 3.288 20 30 GGEDRN CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000175809820 1427903438 /nfs/dbraw/zinc/90/34/38/1427903438.db2.gz YRYZLJNBXNOKHS-GFCCVEGCSA-N 0 0 376.434 3.018 20 30 GGEDRN N#Cc1ccc(Oc2ccc(OC(=O)CCn3cc([N+](=O)[O-])cn3)cc2)cc1 ZINC000175821634 1427910779 /nfs/dbraw/zinc/91/07/79/1427910779.db2.gz VCOUNYCBGLVJIL-UHFFFAOYSA-N 0 0 378.344 3.451 20 30 GGEDRN Cc1csc([C@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C2CC2)n1 ZINC000175837508 1427920380 /nfs/dbraw/zinc/92/03/80/1427920380.db2.gz KDXKEXBWGPIOBM-RTBURBONSA-N 0 0 395.532 3.322 20 30 GGEDRN C[C@@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1cc(F)c(Cl)cc1Cl ZINC000175842945 1427924964 /nfs/dbraw/zinc/92/49/64/1427924964.db2.gz MMVSXTSGUNMGTL-SECBINFHSA-N 0 0 398.225 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GGEDRN C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824555595 1427979811 /nfs/dbraw/zinc/97/98/11/1427979811.db2.gz XYWPTYZJLZSHFF-ZDUSSCGKSA-N 0 0 387.365 3.468 20 30 GGEDRN CCOc1ncccc1CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175932080 1427980898 /nfs/dbraw/zinc/98/08/98/1427980898.db2.gz XPPOSWDUNDCVEN-UHFFFAOYSA-N 0 0 377.366 3.350 20 30 GGEDRN Cc1ccc(-n2nc(CCCNC(=O)NCc3ccsc3)c(C#N)c2N)cc1 ZINC000175933418 1427981709 /nfs/dbraw/zinc/98/17/09/1427981709.db2.gz AYJPAUHUQIYRIV-UHFFFAOYSA-N 0 0 394.504 3.128 20 30 GGEDRN CN(Cc1ccc(C#N)cc1)C(=O)NCCC1CCN(CC(F)(F)F)CC1 ZINC000175936870 1427984293 /nfs/dbraw/zinc/98/42/93/1427984293.db2.gz GXBYJTFWMCTIRX-UHFFFAOYSA-N 0 0 382.430 3.364 20 30 GGEDRN N#C[C@@H](C(=O)CCOC1CCOCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000175944733 1427988331 /nfs/dbraw/zinc/98/83/31/1427988331.db2.gz NVZHOWSMDIRXNL-ZDUSSCGKSA-N 0 0 385.247 3.226 20 30 GGEDRN N#Cc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000175946384 1427988771 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Cc1oc(NC(=O)CN2CC[C@H](OCCCc3ccccc3)C2)c(C#N)c1C ZINC000175960534 1427999487 /nfs/dbraw/zinc/99/94/87/1427999487.db2.gz LGDZDNXHOMBJMI-IBGZPJMESA-N 0 0 381.476 3.430 20 30 GGEDRN CN(CCCOc1cccc(Cl)c1)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175965125 1428002165 /nfs/dbraw/zinc/00/21/65/1428002165.db2.gz USNYAYXIDRPYDB-UHFFFAOYSA-N 0 0 389.814 3.217 20 30 GGEDRN COCc1cccc(OS(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000175967620 1428003807 /nfs/dbraw/zinc/00/38/07/1428003807.db2.gz ZZSFYBRMRICIHL-UHFFFAOYSA-N 0 0 382.235 3.235 20 30 GGEDRN COc1ccccc1C1(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)CCCC1 ZINC000175967493 1428003828 /nfs/dbraw/zinc/00/38/28/1428003828.db2.gz WSTDFTPJQFJLPG-UHFFFAOYSA-N 0 0 395.434 3.273 20 30 GGEDRN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)C(=O)Nc3ccc(F)cc3C#N)nc2c1 ZINC000175973138 1428006878 /nfs/dbraw/zinc/00/68/78/1428006878.db2.gz NPBJBXCTOMYDQN-SFHVURJKSA-N 0 0 391.406 3.184 20 30 GGEDRN CN(C(=O)c1cccc(SCC#N)c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000175979779 1428010584 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CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCC#N)CC2CC2)c1 ZINC000175992599 1428017563 /nfs/dbraw/zinc/01/75/63/1428017563.db2.gz DIAPNBRPIZLSTJ-UHFFFAOYSA-N 0 0 397.928 3.183 20 30 GGEDRN CC[C@@H](C#N)OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000175992888 1428017699 /nfs/dbraw/zinc/01/76/99/1428017699.db2.gz JNCNHJKQWQDNTD-AWEZNQCLSA-N 0 0 384.885 3.364 20 30 GGEDRN O=C(C#Cc1ccccc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000175994460 1428018077 /nfs/dbraw/zinc/01/80/77/1428018077.db2.gz DJBSPOMJEWZZSF-UHFFFAOYSA-N 0 0 386.373 3.042 20 30 GGEDRN CC[C@@H](C#N)OC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000175996766 1428019302 /nfs/dbraw/zinc/01/93/02/1428019302.db2.gz KUXOXUCXXWMBLJ-SFHVURJKSA-N 0 0 386.473 3.086 20 30 GGEDRN CC[C@@H](C#N)OC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC000175996816 1428019927 /nfs/dbraw/zinc/01/99/27/1428019927.db2.gz SLGMHPADPMUTEI-KRWDZBQOSA-N 0 0 378.494 3.183 20 30 GGEDRN CC[C@H](C#N)OC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C ZINC000175998317 1428020473 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C[C@H](CSc1ccc(F)cc1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000176009157 1428025205 /nfs/dbraw/zinc/02/52/05/1428025205.db2.gz JQNGEGQDUNRJJX-OAHLLOKOSA-N 0 0 384.480 3.169 20 30 GGEDRN CC[C@H](C#N)OC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 ZINC000176009368 1428025267 /nfs/dbraw/zinc/02/52/67/1428025267.db2.gz WIGHIRXKWUYLPD-SECBINFHSA-N 0 0 398.238 3.139 20 30 GGEDRN CC[C@@H](C#N)OC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000176011130 1428026066 /nfs/dbraw/zinc/02/60/66/1428026066.db2.gz RFKILZGNRUBCPN-HNNXBMFYSA-N 0 0 376.409 3.394 20 30 GGEDRN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3cccc(SCC#N)c3)CC2)C1 ZINC000176010767 1428026078 /nfs/dbraw/zinc/02/60/78/1428026078.db2.gz XAJNHVBSSBUYHG-MRXNPFEDSA-N 0 0 385.533 3.413 20 30 GGEDRN N#CCCn1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)n1 ZINC000176010563 1428026085 /nfs/dbraw/zinc/02/60/85/1428026085.db2.gz TZVBMNLVOAJTPZ-QGZVFWFLSA-N 0 0 379.420 3.157 20 30 GGEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCc1cccc([N+](=O)[O-])c1 ZINC000176010895 1428026125 /nfs/dbraw/zinc/02/61/25/1428026125.db2.gz BCVBENGLSONHBG-UHFFFAOYSA-N 0 0 377.322 3.465 20 30 GGEDRN COCCCOc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000176012448 1428027061 /nfs/dbraw/zinc/02/70/61/1428027061.db2.gz PTYCCEDLBFHRHE-UHFFFAOYSA-N 0 0 397.450 3.075 20 30 GGEDRN C=CC1CCN(C(=O)C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)CC1 ZINC000176014901 1428027547 /nfs/dbraw/zinc/02/75/47/1428027547.db2.gz JPHMVHIJOYNTFE-UHFFFAOYSA-N 0 0 380.448 3.286 20 30 GGEDRN C=CC1CCN(C(=O)C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CC1 ZINC000176014920 1428028152 /nfs/dbraw/zinc/02/81/52/1428028152.db2.gz YRWHEDHKRZBKGW-UHFFFAOYSA-N 0 0 383.423 3.163 20 30 GGEDRN N#CCSc1cccc(C(=O)NCc2cccc(CN3CCOCC3)c2)c1 ZINC000176022776 1428031642 /nfs/dbraw/zinc/03/16/42/1428031642.db2.gz GCLHWZHUKUGEAC-UHFFFAOYSA-N 0 0 381.501 3.064 20 30 GGEDRN C=CCN(CC=C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000176040186 1428042540 /nfs/dbraw/zinc/04/25/40/1428042540.db2.gz FHJJKVAWDSSGCH-MRXNPFEDSA-N 0 0 379.407 3.167 20 30 GGEDRN C=CCn1c(-c2ccncc2)nn(CN(CCC#N)CC(F)(F)F)c1=S ZINC000176042237 1428044557 /nfs/dbraw/zinc/04/45/57/1428044557.db2.gz QUFWNGXHQCPZGM-UHFFFAOYSA-N 0 0 382.415 3.398 20 30 GGEDRN CC(C)[C@H](C#N)OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000176045128 1428046965 /nfs/dbraw/zinc/04/69/65/1428046965.db2.gz YWSMBLAMRMWVFC-DAYGRLMNSA-N 0 0 378.494 3.058 20 30 GGEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)O[C@@H](C#N)C(C)C ZINC000176046396 1428047872 /nfs/dbraw/zinc/04/78/72/1428047872.db2.gz RCJGLQQKRJTINO-AWEZNQCLSA-N 0 0 381.226 3.190 20 30 GGEDRN CC(C)[C@@H](C#N)OC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000176047841 1428048301 /nfs/dbraw/zinc/04/83/01/1428048301.db2.gz ZXVWJPPJILDLEH-QGZVFWFLSA-N 0 0 394.399 3.471 20 30 GGEDRN C[C@@H](O)c1ccc(CNC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)cc1 ZINC000176047898 1428048493 /nfs/dbraw/zinc/04/84/93/1428048493.db2.gz AGWNUNGXBZMFMG-GOSISDBHSA-N 0 0 398.462 3.395 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(F)cc1 ZINC000176053076 1428052454 /nfs/dbraw/zinc/05/24/54/1428052454.db2.gz NNCNVTJMGKHAJM-ZDUSSCGKSA-N 0 0 390.436 3.145 20 30 GGEDRN N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(NC(N)=O)CC2)cc1 ZINC000176056824 1428055562 /nfs/dbraw/zinc/05/55/62/1428055562.db2.gz VFRJGVRZFVFIMF-UHFFFAOYSA-N 0 0 394.500 3.123 20 30 GGEDRN N#C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C1CC1 ZINC000176060638 1428058750 /nfs/dbraw/zinc/05/87/50/1428058750.db2.gz UHKDNBORLLGHDU-INIZCTEOSA-N 0 0 396.896 3.364 20 30 GGEDRN N#C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C1CC1 ZINC000176060658 1428059021 /nfs/dbraw/zinc/05/90/21/1428059021.db2.gz UHKDNBORLLGHDU-MRXNPFEDSA-N 0 0 396.896 3.364 20 30 GGEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(NC(N)=O)CC2)c1 ZINC000176061261 1428059924 /nfs/dbraw/zinc/05/99/24/1428059924.db2.gz WSGDXWINTQPSIF-UHFFFAOYSA-N 0 0 398.850 3.277 20 30 GGEDRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)O[C@H](C#N)C3CC3)c2)cc1 ZINC000176062012 1428060487 /nfs/dbraw/zinc/06/04/87/1428060487.db2.gz YLZFSSMIVVLSRH-LJQANCHMSA-N 0 0 384.457 3.279 20 30 GGEDRN C=CCn1c(C2CC2)nn(CN2CCN([C@@H](C)C(F)(F)F)CC2)c1=S ZINC000176062330 1428060499 /nfs/dbraw/zinc/06/04/99/1428060499.db2.gz DRZWULLLFQFAPX-LBPRGKRZSA-N 0 0 375.464 3.003 20 30 GGEDRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)O[C@@H](C#N)C3CC3)c2)cc1 ZINC000176061991 1428060548 /nfs/dbraw/zinc/06/05/48/1428060548.db2.gz YLZFSSMIVVLSRH-IBGZPJMESA-N 0 0 384.457 3.279 20 30 GGEDRN N#Cc1ccc(OC(F)F)c(NC(=O)Nc2cnn(Cc3ccncc3)c2)c1 ZINC000176070171 1428066124 /nfs/dbraw/zinc/06/61/24/1428066124.db2.gz KIDQBWWLXIFWNK-UHFFFAOYSA-N 0 0 384.346 3.443 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)cc1 ZINC000176075473 1428069013 /nfs/dbraw/zinc/06/90/13/1428069013.db2.gz KJMFTUXFJFWFMD-FQEVSTJZSA-N 0 0 381.451 3.345 20 30 GGEDRN N#CCSc1cccc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000176082806 1428072868 /nfs/dbraw/zinc/07/28/68/1428072868.db2.gz MNFUDCJCMDPOTB-QGZVFWFLSA-N 0 0 385.876 3.491 20 30 GGEDRN Cc1ccc(N2CCC[C@H](NC(=O)N(C)Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000176087968 1428075406 /nfs/dbraw/zinc/07/54/06/1428075406.db2.gz LEXFDVQJRLLYNG-FQEVSTJZSA-N 0 0 376.460 3.204 20 30 GGEDRN Cc1ccc(N2CCC[C@H](NC(=O)N(C)Cc3cccc(C#N)c3)C2=O)cc1 ZINC000176090678 1428077113 /nfs/dbraw/zinc/07/71/13/1428077113.db2.gz MXWLGQJHWWYFGG-FQEVSTJZSA-N 0 0 376.460 3.204 20 30 GGEDRN COc1ccccc1C[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1C)C(C)C ZINC000176132474 1428106156 /nfs/dbraw/zinc/10/61/56/1428106156.db2.gz CMYQTSLPEBBZEM-SFHVURJKSA-N 0 0 379.460 3.197 20 30 GGEDRN COc1ccccc1C[C@H](NC(=O)C(=O)Nc1cccc(C)c1C#N)C(C)C ZINC000176134531 1428108251 /nfs/dbraw/zinc/10/82/51/1428108251.db2.gz ACUKPGVQMHUWNL-IBGZPJMESA-N 0 0 379.460 3.197 20 30 GGEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)cc1 ZINC000176135402 1428109411 /nfs/dbraw/zinc/10/94/11/1428109411.db2.gz MDKLQAPUVGFOAR-HNNXBMFYSA-N 0 0 390.427 3.002 20 30 GGEDRN C[C@@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C(=O)N1c1ccccc1 ZINC000176135792 1428109428 /nfs/dbraw/zinc/10/94/28/1428109428.db2.gz JZKLYIZIXZEEAP-IERDGZPVSA-N 0 0 388.471 3.426 20 30 GGEDRN N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3C=C[C@H](CO)C3)c2)cc1 ZINC000176137321 1428110918 /nfs/dbraw/zinc/11/09/18/1428110918.db2.gz FEUGCQPLHBLSDJ-FXAWDEMLSA-N 0 0 377.444 3.390 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000176139955 1428113513 /nfs/dbraw/zinc/11/35/13/1428113513.db2.gz BRBXJHCILXBEAC-RBUKOAKNSA-N 0 0 382.464 3.077 20 30 GGEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000176142323 1428114234 /nfs/dbraw/zinc/11/42/34/1428114234.db2.gz VRORAVWJPWWHPA-ROUUACIJSA-N 0 0 384.476 3.476 20 30 GGEDRN COc1cc(/C=C/C(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)ccc1OCC#N ZINC000176149261 1428118975 /nfs/dbraw/zinc/11/89/75/1428118975.db2.gz IASWPMNTDBVHND-RZAXMFKLSA-N 0 0 382.460 3.361 20 30 GGEDRN CN(Cc1nccs1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000176158812 1428126776 /nfs/dbraw/zinc/12/67/76/1428126776.db2.gz OSMPXMXBUGTIIH-UHFFFAOYSA-N 0 0 392.440 3.404 20 30 GGEDRN N#Cc1ccccc1OCC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000176162900 1428129416 /nfs/dbraw/zinc/12/94/16/1428129416.db2.gz GYQSYJHRVPVXRS-LJQANCHMSA-N 0 0 376.412 3.292 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)C2CCCCC2)cc1 ZINC000176164055 1428130640 /nfs/dbraw/zinc/13/06/40/1428130640.db2.gz SUALYALFKZISBW-HZPDHXFCSA-N 0 0 385.508 3.262 20 30 GGEDRN C[C@@](O)(CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000176164361 1428131669 /nfs/dbraw/zinc/13/16/69/1428131669.db2.gz MHBMHZNQHBOFHZ-QGZVFWFLSA-N 0 0 382.407 3.325 20 30 GGEDRN CN(Cc1nccs1)C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000176167608 1428132802 /nfs/dbraw/zinc/13/28/02/1428132802.db2.gz HNLQCJVHIWOSKI-UHFFFAOYSA-N 0 0 375.453 3.140 20 30 GGEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NC[C@@H](O)c1ccccc1F ZINC000176168164 1428134235 /nfs/dbraw/zinc/13/42/35/1428134235.db2.gz GBTDFAOTAKFQTB-QGZVFWFLSA-N 0 0 380.341 3.229 20 30 GGEDRN N#Cc1ccc(CCC(=O)OC[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 ZINC000176178450 1428143821 /nfs/dbraw/zinc/14/38/21/1428143821.db2.gz UCZJKBGHCJPQPE-NRFANRHFSA-N 0 0 376.456 3.125 20 30 GGEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000176181313 1428145606 /nfs/dbraw/zinc/14/56/06/1428145606.db2.gz SUZMFGGJHUEVTK-QKVFXAPYSA-N 0 0 381.451 3.375 20 30 GGEDRN CC1=C(C(=O)Nc2cccnc2Cl)[C@@H](c2cc(C#N)cs2)NC(=S)N1 ZINC000176186771 1428150059 /nfs/dbraw/zinc/15/00/59/1428150059.db2.gz SMRDTHCHYQYCIV-CYBMUJFWSA-N 0 0 389.893 3.100 20 30 GGEDRN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cc(C#N)cs2)cc1 ZINC000176187127 1428150306 /nfs/dbraw/zinc/15/03/06/1428150306.db2.gz AWSFQVSAGYGSFJ-INIZCTEOSA-N 0 0 384.486 3.060 20 30 GGEDRN CN(CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1N1CCCC1 ZINC000176198341 1428160723 /nfs/dbraw/zinc/16/07/23/1428160723.db2.gz MNEYUIYDCHGRHB-UHFFFAOYSA-N 0 0 383.517 3.064 20 30 GGEDRN COC[C@@H](NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1)c1ccco1 ZINC000176208729 1428169359 /nfs/dbraw/zinc/16/93/59/1428169359.db2.gz CHGASYNBGGQGKF-HXUWFJFHSA-N 0 0 388.423 3.122 20 30 GGEDRN C#CC[C@H](C)OC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000176212293 1428170746 /nfs/dbraw/zinc/17/07/46/1428170746.db2.gz ZXPDRYFONLNGFJ-ZDUSSCGKSA-N 0 0 378.266 3.256 20 30 GGEDRN C#CC[C@@H](C)OC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000176212191 1428170977 /nfs/dbraw/zinc/17/09/77/1428170977.db2.gz YIOMRRORDWXQHL-GFCCVEGCSA-N 0 0 390.530 3.442 20 30 GGEDRN C#CC[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000176212808 1428171650 /nfs/dbraw/zinc/17/16/50/1428171650.db2.gz APKLWSBDTFSAAS-MRXNPFEDSA-N 0 0 377.506 3.166 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)CCN[C@@H](c2nccs2)c2ccccc2)cc1 ZINC000176220886 1428175058 /nfs/dbraw/zinc/17/50/58/1428175058.db2.gz FQTJXOGAEDYIBA-GOSISDBHSA-N 0 0 383.498 3.168 20 30 GGEDRN CCCN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000176222191 1428175945 /nfs/dbraw/zinc/17/59/45/1428175945.db2.gz NCGPXIMMDRMMRL-QGZVFWFLSA-N 0 0 399.516 3.071 20 30 GGEDRN C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000176239302 1428186542 /nfs/dbraw/zinc/18/65/42/1428186542.db2.gz KOABOUWRFCPSLB-UHFFFAOYSA-N 0 0 380.419 3.498 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)c1 ZINC000176245806 1428192670 /nfs/dbraw/zinc/19/26/70/1428192670.db2.gz IJRYSQBZKMAUKY-KRWDZBQOSA-N 0 0 390.487 3.267 20 30 GGEDRN N#CCCN(Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)CC1CC1 ZINC000176252151 1428196590 /nfs/dbraw/zinc/19/65/90/1428196590.db2.gz XFIZYBRHTQUWOB-UHFFFAOYSA-N 0 0 384.793 3.460 20 30 GGEDRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cc(C#N)ccc1C ZINC000176262642 1428204545 /nfs/dbraw/zinc/20/45/45/1428204545.db2.gz KLLXASGMXQOZCF-FQEVSTJZSA-N 0 0 378.407 3.173 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000180179237 1429784803 /nfs/dbraw/zinc/78/48/03/1429784803.db2.gz WKHCUYMLCKKSGR-ZWKOTPCHSA-N 0 0 394.855 3.300 20 30 GGEDRN N#Cc1cc(S(=O)(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)ccc1F ZINC000180179082 1429785059 /nfs/dbraw/zinc/78/50/59/1429785059.db2.gz QWPVEVWVMHTYHT-IRXDYDNUSA-N 0 0 398.818 3.298 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)CCc3ccc4[nH]ccc4c3)CC2)c(F)c1 ZINC000180183796 1429788817 /nfs/dbraw/zinc/78/88/17/1429788817.db2.gz OEMUXPYZMPIMOG-UHFFFAOYSA-N 0 0 376.435 3.460 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2cnn(-c3ccccc3)c2C)c1 ZINC000180217192 1429804810 /nfs/dbraw/zinc/80/48/10/1429804810.db2.gz BUQYCCNJRXTDKQ-UHFFFAOYSA-N 0 0 376.416 3.323 20 30 GGEDRN C=CCOc1ccccc1CNC(=O)C(=O)Nc1cn(-c2ccccc2)nc1C ZINC000180250312 1429814733 /nfs/dbraw/zinc/81/47/33/1429814733.db2.gz GHBRONPSJMEJJI-UHFFFAOYSA-N 0 0 390.443 3.000 20 30 GGEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)OC ZINC000180252300 1429815686 /nfs/dbraw/zinc/81/56/86/1429815686.db2.gz VKUDPQFIVQPCLX-UHFFFAOYSA-N 0 0 394.418 3.285 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000180269165 1429819507 /nfs/dbraw/zinc/81/95/07/1429819507.db2.gz PJDOPIKAUNKSOA-INIZCTEOSA-N 0 0 393.491 3.014 20 30 GGEDRN CN1CCc2ccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)cc21 ZINC000180280955 1429823308 /nfs/dbraw/zinc/82/33/08/1429823308.db2.gz HVLJHNNZKZMHPL-UHFFFAOYSA-N 0 0 375.476 3.295 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)cc1 ZINC000180283460 1429824376 /nfs/dbraw/zinc/82/43/76/1429824376.db2.gz OXNHIEAQBAYIAA-NRFANRHFSA-N 0 0 393.487 3.407 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(OC(C)(C)C)nc2)cc1 ZINC000180283385 1429824384 /nfs/dbraw/zinc/82/43/84/1429824384.db2.gz CWBAREROLNFCIX-UHFFFAOYSA-N 0 0 382.464 3.496 20 30 GGEDRN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1CC(F)(F)F ZINC000180289256 1429825898 /nfs/dbraw/zinc/82/58/98/1429825898.db2.gz RCPJCTUDBOLZHH-CQSZACIVSA-N 0 0 377.414 3.027 20 30 GGEDRN N#Cc1cc(CN2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)ccc1F ZINC000180293141 1429827353 /nfs/dbraw/zinc/82/73/53/1429827353.db2.gz KTQKVQPAEAXRJN-KRWDZBQOSA-N 0 0 377.341 3.389 20 30 GGEDRN Cn1cc(CNc2ccn(CCc3ccncc3)n2)c(-c2ccc(C#N)cc2)n1 ZINC000180295003 1429827629 /nfs/dbraw/zinc/82/76/29/1429827629.db2.gz YHJDXRRXLYKGKE-UHFFFAOYSA-N 0 0 383.459 3.405 20 30 GGEDRN COc1cc(C#N)ccc1CN1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000180299479 1429829089 /nfs/dbraw/zinc/82/90/89/1429829089.db2.gz SZOAMKFWFJTGIJ-GOSISDBHSA-N 0 0 389.377 3.259 20 30 GGEDRN Cc1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1Cl ZINC000180299721 1429829442 /nfs/dbraw/zinc/82/94/42/1429829442.db2.gz WICHCWMDJOCQIT-QGZVFWFLSA-N 0 0 389.908 3.047 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2cnn(-c3ccccc3)c2)c1 ZINC000180304385 1429830933 /nfs/dbraw/zinc/83/09/33/1429830933.db2.gz ANVCIZOGZYRVDB-UHFFFAOYSA-N 0 0 376.416 3.404 20 30 GGEDRN Cc1c(CS(C)(=O)=O)cccc1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180308012 1429832220 /nfs/dbraw/zinc/83/22/20/1429832220.db2.gz IJVTWLMTDODBRE-UHFFFAOYSA-N 0 0 394.500 3.424 20 30 GGEDRN C=C[C@H](CC(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)c1ccccc1 ZINC000180310290 1429832740 /nfs/dbraw/zinc/83/27/40/1429832740.db2.gz BGBZHWFOBHFJGU-XLIONFOSSA-N 0 0 390.549 3.199 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)Nc2cnn(-c3ccccc3)c2)c1 ZINC000180314870 1429834209 /nfs/dbraw/zinc/83/42/09/1429834209.db2.gz YOPUEPGLYDMWEH-UHFFFAOYSA-N 0 0 389.415 3.132 20 30 GGEDRN C=CC1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)CC1 ZINC000180322769 1429836126 /nfs/dbraw/zinc/83/61/26/1429836126.db2.gz SIHPZOSVBILQIX-GOSISDBHSA-N 0 0 396.940 3.172 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(Cl)c1 ZINC000180325512 1429836723 /nfs/dbraw/zinc/83/67/23/1429836723.db2.gz WPGQDIWAVCKPHW-RDJZCZTQSA-N 0 0 398.818 3.298 20 30 GGEDRN C=CCCC[C@H](C)NC(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000180339627 1429839963 /nfs/dbraw/zinc/83/99/63/1429839963.db2.gz FFEPFSBWBWFZQM-KRWDZBQOSA-N 0 0 393.553 3.192 20 30 GGEDRN C#CCCCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1NCC ZINC000180363690 1429847007 /nfs/dbraw/zinc/84/70/07/1429847007.db2.gz YLGKRWNQGVQYLJ-UHFFFAOYSA-N 0 0 379.526 3.281 20 30 GGEDRN Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000180365367 1429847250 /nfs/dbraw/zinc/84/72/50/1429847250.db2.gz GYVJWCDFMNUKMG-LJQANCHMSA-N 0 0 387.443 3.281 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000180364848 1429847385 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3.027 20 30 GGEDRN O=Cc1cc(F)c(OS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1 ZINC000180387532 1429853400 /nfs/dbraw/zinc/85/34/00/1429853400.db2.gz CJUKEDOISHCVFP-UHFFFAOYSA-N 0 0 388.216 3.241 20 30 GGEDRN C=C(C)CN(C)C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC ZINC000180392516 1429854915 /nfs/dbraw/zinc/85/49/15/1429854915.db2.gz NQCTVPGTOSHWDF-UHFFFAOYSA-N 0 0 378.428 3.140 20 30 GGEDRN CCOc1ccc([C@@H](NS(=O)(=O)CC2(C#N)CC2)C(C)C)cc1OCC ZINC000180394993 1429855881 /nfs/dbraw/zinc/85/58/81/1429855881.db2.gz PZXICUNJUSBXOU-SFHVURJKSA-N 0 0 380.510 3.404 20 30 GGEDRN Cc1ccc(C#N)c(N2CCN(CCCc3nc(-c4cccs4)no3)CC2)n1 ZINC000180403586 1429858583 /nfs/dbraw/zinc/85/85/83/1429858583.db2.gz VEYYXNGLWZWLDQ-UHFFFAOYSA-N 0 0 394.504 3.128 20 30 GGEDRN CC(=O)N1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C(C)(C)C1 ZINC000180403035 1429858644 /nfs/dbraw/zinc/85/86/44/1429858644.db2.gz CDTKBHDPSREKDT-UHFFFAOYSA-N 0 0 391.471 3.220 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(C(F)(F)F)cc2O)c1 ZINC000180415885 1429862774 /nfs/dbraw/zinc/86/27/74/1429862774.db2.gz RWAUNQYLEIRWOV-UHFFFAOYSA-N 0 0 376.334 3.103 20 30 GGEDRN C=C(C)CN(C)C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC000180416866 1429863045 /nfs/dbraw/zinc/86/30/45/1429863045.db2.gz PSADLTAEYIDONF-UHFFFAOYSA-N 0 0 378.538 3.372 20 30 GGEDRN N#Cc1ncn(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)c1C#N ZINC000180422077 1429864670 /nfs/dbraw/zinc/86/46/70/1429864670.db2.gz IHJLHGPBXIIWLP-CQSZACIVSA-N 0 0 392.469 3.127 20 30 GGEDRN N#CCC[C@@H](NC(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccccc1 ZINC000180423534 1429864921 /nfs/dbraw/zinc/86/49/21/1429864921.db2.gz AGISIGPGSHVHCD-MAUKXSAKSA-N 0 0 398.413 3.414 20 30 GGEDRN N#CCC[C@H](NC(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccccc1 ZINC000180423515 1429864945 /nfs/dbraw/zinc/86/49/45/1429864945.db2.gz AGISIGPGSHVHCD-QAPCUYQASA-N 0 0 398.413 3.414 20 30 GGEDRN Cc1sc2[nH]c(Cn3cnc(C#N)c3C#N)nc(=O)c2c1-c1ccc(C)cc1 ZINC000180423979 1429865424 /nfs/dbraw/zinc/86/54/24/1429865424.db2.gz RYFFAYZVAONIBD-UHFFFAOYSA-N 0 0 386.440 3.257 20 30 GGEDRN C=C(C)CN(C)C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000180426754 1429866668 /nfs/dbraw/zinc/86/66/68/1429866668.db2.gz YJSREBXZFNGALU-INIZCTEOSA-N 0 0 384.501 3.475 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819745643 1429869230 /nfs/dbraw/zinc/86/92/30/1429869230.db2.gz NJYZRJWQZXFCFG-HUUCEWRRSA-N 0 0 396.520 3.182 20 30 GGEDRN FC(F)(F)Oc1ccc(C#CCN2CCN(Cc3cccnc3)CC2)cc1 ZINC000180450299 1429872109 /nfs/dbraw/zinc/87/21/09/1429872109.db2.gz FOUGSYJURRHQKA-UHFFFAOYSA-N 0 0 375.394 3.150 20 30 GGEDRN C=C(C)CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000180454258 1429872859 /nfs/dbraw/zinc/87/28/59/1429872859.db2.gz SOUAPSHUNKUXIP-UHFFFAOYSA-N 0 0 378.538 3.245 20 30 GGEDRN C=C(C)CN(C)C(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000180469018 1429876168 /nfs/dbraw/zinc/87/61/68/1429876168.db2.gz CHCGUIBFNMGXRE-UHFFFAOYSA-N 0 0 378.538 3.047 20 30 GGEDRN Cc1ccc(NC(=O)N2CCN(CCCOc3ccc(C#N)cc3)CC2)cc1 ZINC000180471744 1429877350 /nfs/dbraw/zinc/87/73/50/1429877350.db2.gz MQJVYIMDGFILQC-UHFFFAOYSA-N 0 0 378.476 3.485 20 30 GGEDRN C=C(C)CN(C)C(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1 ZINC000180472756 1429877510 /nfs/dbraw/zinc/87/75/10/1429877510.db2.gz CJPNYUPYPYHASV-UHFFFAOYSA-N 0 0 380.448 3.145 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3O)CC2)c(F)c1 ZINC000180478950 1429878925 /nfs/dbraw/zinc/87/89/25/1429878925.db2.gz HQXBWPKVIGOVLR-UHFFFAOYSA-N 0 0 393.340 3.384 20 30 GGEDRN N#Cc1ccccc1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2O)CC1 ZINC000180478001 1429878990 /nfs/dbraw/zinc/87/89/90/1429878990.db2.gz NQQRZJXUVJRIQA-UHFFFAOYSA-N 0 0 375.350 3.245 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000180500771 1429883695 /nfs/dbraw/zinc/88/36/95/1429883695.db2.gz VZVKIDUKPRLAGI-MRXNPFEDSA-N 0 0 379.526 3.015 20 30 GGEDRN COc1cc(OC)c(NC(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc1Cl ZINC000180508544 1429885802 /nfs/dbraw/zinc/88/58/02/1429885802.db2.gz YGTDJXNMGKXQIK-NSHDSACASA-N 0 0 384.823 3.490 20 30 GGEDRN COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000180510002 1429886183 /nfs/dbraw/zinc/88/61/83/1429886183.db2.gz JSDANTBGVVGAFI-JXFKEZNVSA-N 0 0 386.835 3.245 20 30 GGEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1cccc(N(C)C)c1C ZINC000180512702 1429886705 /nfs/dbraw/zinc/88/67/05/1429886705.db2.gz CQKNBMMRYUNFIU-UHFFFAOYSA-N 0 0 396.447 3.123 20 30 GGEDRN COC(=O)c1ccccc1NC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F ZINC000180512315 1429886812 /nfs/dbraw/zinc/88/68/12/1429886812.db2.gz FDGFNIWWIVOTAN-GFCCVEGCSA-N 0 0 384.342 3.464 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)[C@@H](C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000180517854 1429887638 /nfs/dbraw/zinc/88/76/38/1429887638.db2.gz FADAMKDXMXQEFK-HNNXBMFYSA-N 0 0 382.460 3.437 20 30 GGEDRN CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000180523399 1429889096 /nfs/dbraw/zinc/88/90/96/1429889096.db2.gz HXGBWXNIKIPBRY-UHFFFAOYSA-N 0 0 387.505 3.478 20 30 GGEDRN Cc1ccc(S(=O)(=O)CCCN2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000180560875 1429897752 /nfs/dbraw/zinc/89/77/52/1429897752.db2.gz PXEOCWQYXWCBIG-UHFFFAOYSA-N 0 0 397.544 3.243 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCN(CC(F)F)CC1 ZINC000180567224 1429899501 /nfs/dbraw/zinc/89/95/01/1429899501.db2.gz ZSJGZFOUQLQMAW-OAHLLOKOSA-N 0 0 396.507 3.150 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCN(CC(F)F)CC1 ZINC000180576368 1429905833 /nfs/dbraw/zinc/90/58/33/1429905833.db2.gz GPBXEGIVHPZTHZ-HNNXBMFYSA-N 0 0 396.507 3.292 20 30 GGEDRN CC(C)c1ccc(CN2CCN(c3nccnc3C#N)C[C@H]2C)cc1[N+](=O)[O-] ZINC000180587794 1429915341 /nfs/dbraw/zinc/91/53/41/1429915341.db2.gz ZEWWZYBYWWNFPV-OAHLLOKOSA-N 0 0 380.452 3.091 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000180590198 1429916015 /nfs/dbraw/zinc/91/60/15/1429916015.db2.gz WWHGNDCAWIGXNU-OAHLLOKOSA-N 0 0 377.423 3.458 20 30 GGEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000180590631 1429916187 /nfs/dbraw/zinc/91/61/87/1429916187.db2.gz KJTSUNHLOVKQQW-GFCCVEGCSA-N 0 0 393.825 3.314 20 30 GGEDRN C=CCNC(=O)CNC(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000180603264 1429926269 /nfs/dbraw/zinc/92/62/69/1429926269.db2.gz CJTILRQPZAMNGE-HNNXBMFYSA-N 0 0 385.439 3.067 20 30 GGEDRN Cc1nc([C@@H](NC(=O)Cc2cccc(OCC#N)c2)c2ccc(Cl)cc2)no1 ZINC000180602545 1429926537 /nfs/dbraw/zinc/92/65/37/1429926537.db2.gz VGAGXQNLDGJGFK-IBGZPJMESA-N 0 0 396.834 3.382 20 30 GGEDRN Cc1nc([C@H](NC(=O)c2ccccc2OCC#N)c2ccc(Cl)cc2)no1 ZINC000180611499 1429932114 /nfs/dbraw/zinc/93/21/14/1429932114.db2.gz JRHGPHLDUCAFOH-QGZVFWFLSA-N 0 0 382.807 3.453 20 30 GGEDRN Cc1nc([C@@H](NC(=O)c2ccccc2OCC#N)c2ccc(Cl)cc2)no1 ZINC000180611514 1429932205 /nfs/dbraw/zinc/93/22/05/1429932205.db2.gz JRHGPHLDUCAFOH-KRWDZBQOSA-N 0 0 382.807 3.453 20 30 GGEDRN C[C@@H](C#N)NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000180635800 1429946886 /nfs/dbraw/zinc/94/68/86/1429946886.db2.gz IHKUFCFGTKFSKM-LBPRGKRZSA-N 0 0 391.349 3.365 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)cc1 ZINC000180637035 1429947861 /nfs/dbraw/zinc/94/78/61/1429947861.db2.gz KOYUXAIHMAOLRB-DLBZAZTESA-N 0 0 381.457 3.130 20 30 GGEDRN C=CCCC[C@@H](C)NC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000180640264 1429948304 /nfs/dbraw/zinc/94/83/04/1429948304.db2.gz SKCZKYQAOKWLSH-QGZVFWFLSA-N 0 0 393.553 3.131 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2F)C[C@@H]2CCCO2)cc1 ZINC000180646099 1429952915 /nfs/dbraw/zinc/95/29/15/1429952915.db2.gz SPOLEISEOHFSNF-HNNXBMFYSA-N 0 0 392.427 3.206 20 30 GGEDRN N#CCCCOc1cccc(NC(=O)C(=O)Nc2c[nH]nc2-c2ccccc2)c1 ZINC000180650705 1429956879 /nfs/dbraw/zinc/95/68/79/1429956879.db2.gz BMGJZBAMKBXCGC-UHFFFAOYSA-N 0 0 389.415 3.336 20 30 GGEDRN C=C(C)CN(C)C(=O)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000180655550 1429959399 /nfs/dbraw/zinc/95/93/99/1429959399.db2.gz HKJUVRWEEUDRMY-UHFFFAOYSA-N 0 0 375.432 3.112 20 30 GGEDRN C=C(C)CN(C)C(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)c(Cl)c1 ZINC000180658152 1429961333 /nfs/dbraw/zinc/96/13/33/1429961333.db2.gz 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C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000180703590 1429987744 /nfs/dbraw/zinc/98/77/44/1429987744.db2.gz HNQIKWXYSWQZQO-AWEZNQCLSA-N 0 0 388.361 3.260 20 30 GGEDRN C=CCc1cc(CN2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc(OC)c1O ZINC000180713871 1429995699 /nfs/dbraw/zinc/99/56/99/1429995699.db2.gz LHGPCQCUJCPZRM-SFTDATJTSA-N 0 0 383.488 3.454 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N2CCc3c(cccc3OC)C2)c1 ZINC000180725128 1430002180 /nfs/dbraw/zinc/00/21/80/1430002180.db2.gz WWKIVJRDVIQGIM-UHFFFAOYSA-N 0 0 380.444 3.174 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000180734527 1430007003 /nfs/dbraw/zinc/00/70/03/1430007003.db2.gz XSFSLSLJQGFUAD-DOTOQJQBSA-N 0 0 398.818 3.298 20 30 GGEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000180734507 1430007167 /nfs/dbraw/zinc/00/71/67/1430007167.db2.gz XSFSLSLJQGFUAD-WBVHZDCISA-N 0 0 398.818 3.298 20 30 GGEDRN C#CCCCCC(=O)OCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000180746195 1430015201 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20 30 GGEDRN C=C(Br)CNC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182462299 1430471669 /nfs/dbraw/zinc/47/16/69/1430471669.db2.gz DBRURNINTKFAQL-SNVBAGLBSA-N 0 0 381.196 3.157 20 30 GGEDRN CCn1c(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)nc2cc(C)ccc21 ZINC000182478902 1430474624 /nfs/dbraw/zinc/47/46/24/1430474624.db2.gz NMPVLDKCPAPHPM-UHFFFAOYSA-N 0 0 377.448 3.113 20 30 GGEDRN Cc1ccc2[nH]c([C@H]3CCCN(S(=O)(=O)Cc4cccc(C#N)c4)C3)nc2c1 ZINC000182494686 1430477572 /nfs/dbraw/zinc/47/75/72/1430477572.db2.gz KHGPCOOQYCRNJZ-SFHVURJKSA-N 0 0 394.500 3.452 20 30 GGEDRN Cc1ccc2[nH]c([C@@H]3CCCN(S(=O)(=O)c4cccc(C#N)c4)C3)nc2c1 ZINC000182497589 1430478064 /nfs/dbraw/zinc/47/80/64/1430478064.db2.gz RYKIKPWNWXFPPL-MRXNPFEDSA-N 0 0 380.473 3.311 20 30 GGEDRN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000182506916 1430479929 /nfs/dbraw/zinc/47/99/29/1430479929.db2.gz MUWSNGVMFOSTDQ-UHFFFAOYSA-N 0 0 386.521 3.381 20 30 GGEDRN CCN(CC)C(=O)CCC1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000182546121 1430488098 /nfs/dbraw/zinc/48/80/98/1430488098.db2.gz BYNBACGTFXAGIF-UHFFFAOYSA-N 0 0 388.512 3.067 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000182552266 1430490226 /nfs/dbraw/zinc/49/02/26/1430490226.db2.gz LVZCDAVNKLMPMG-QRWLVFNGSA-N 0 0 383.423 3.129 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000182552288 1430490230 /nfs/dbraw/zinc/49/02/30/1430490230.db2.gz LVZCDAVNKLMPMG-MGPUTAFESA-N 0 0 383.423 3.129 20 30 GGEDRN CCN(CC)C(=O)CCC1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000182561575 1430492652 /nfs/dbraw/zinc/49/26/52/1430492652.db2.gz CXGDESFNOZMPNJ-NRFANRHFSA-N 0 0 385.508 3.133 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000182563086 1430492945 /nfs/dbraw/zinc/49/29/45/1430492945.db2.gz PTCIFFFDJJLGDW-HIGJEIRPSA-N 0 0 396.491 3.184 20 30 GGEDRN Cc1cc(-n2cccn2)ccc1COC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000182568621 1430494585 /nfs/dbraw/zinc/49/45/85/1430494585.db2.gz JWUXFMSYOUQOEN-UHFFFAOYSA-N 0 0 390.443 3.034 20 30 GGEDRN N#Cc1ccc(CN2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)c(F)c1 ZINC000182578504 1430496607 /nfs/dbraw/zinc/49/66/07/1430496607.db2.gz UKEVBWVVLYUNLA-KRWDZBQOSA-N 0 0 377.341 3.389 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(N(C)C)nc2ccccc21 ZINC000182585121 1430497343 /nfs/dbraw/zinc/49/73/43/1430497343.db2.gz PWMWYVRLEFVWMR-UHFFFAOYSA-N 0 0 388.471 3.461 20 30 GGEDRN CC(C)NC(=O)c1ccccc1NC(=O)CNc1ccccc1O[C@H](C)C#N ZINC000182593930 1430499384 /nfs/dbraw/zinc/49/93/84/1430499384.db2.gz MGWVDIWEPUUORC-OAHLLOKOSA-N 0 0 380.448 3.166 20 30 GGEDRN COc1ccc([C@@H](NC(=O)COc2ccc(C#N)cc2OC)C(F)(F)F)cc1 ZINC000182611954 1430502615 /nfs/dbraw/zinc/50/26/15/1430502615.db2.gz JPFRGFAYNKOCEM-GOSISDBHSA-N 0 0 394.349 3.374 20 30 GGEDRN C[C@@H](C[S@@](C)=O)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000182618394 1430503310 /nfs/dbraw/zinc/50/33/10/1430503310.db2.gz ROSGMCTXKKYFGN-KUNJGFBQSA-N 0 0 387.480 3.176 20 30 GGEDRN N#C[C@@H](c1cccs1)N1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1 ZINC000182626184 1430504810 /nfs/dbraw/zinc/50/48/10/1430504810.db2.gz MVBISZIARBOXDY-INIZCTEOSA-N 0 0 397.529 3.126 20 30 GGEDRN COc1cc2c(cc1OC)CN([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000182631042 1430505759 /nfs/dbraw/zinc/50/57/59/1430505759.db2.gz FAWKSDFKDWLTAH-FQEVSTJZSA-N 0 0 391.471 3.129 20 30 GGEDRN Cc1cccc(C)c1NC(=O)CN(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182642762 1430508195 /nfs/dbraw/zinc/50/81/95/1430508195.db2.gz IEZFZPXGFAGBBT-HXUWFJFHSA-N 0 0 390.487 3.241 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](N3CCO[C@H](c4ccc(F)cc4)C3)C2=O)cc1 ZINC000182648977 1430510076 /nfs/dbraw/zinc/51/00/76/1430510076.db2.gz LHKHMBBTLWGFJM-SFTDATJTSA-N 0 0 379.435 3.266 20 30 GGEDRN COc1ccc(SCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)cc1 ZINC000182661861 1430512551 /nfs/dbraw/zinc/51/25/51/1430512551.db2.gz MFIAXPHKVUWSTO-QGZVFWFLSA-N 0 0 387.530 3.258 20 30 GGEDRN COc1cc(/C=C/C(=O)Nc2ncn(C3CCCCC3)n2)ccc1OCC#N ZINC000182669484 1430513667 /nfs/dbraw/zinc/51/36/67/1430513667.db2.gz ALGXAOZWQMSKOR-CSKARUKUSA-N 0 0 381.436 3.346 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000182668995 1430513721 /nfs/dbraw/zinc/51/37/21/1430513721.db2.gz JYCKJRZMIRVCTC-UHFFFAOYSA-N 0 0 394.424 3.428 20 30 GGEDRN CC(=O)Nc1cccc2c1CCN([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000182682893 1430516197 /nfs/dbraw/zinc/51/61/97/1430516197.db2.gz ZPPOQZINLBSKEM-QFIPXVFZSA-N 0 0 388.471 3.070 20 30 GGEDRN COc1ccc([C@H](NC(=O)CSc2nnc(C)c(C)c2C#N)C2CC2)cc1 ZINC000182709508 1430523919 /nfs/dbraw/zinc/52/39/19/1430523919.db2.gz DABZNSKGZYTUGC-LJQANCHMSA-N 0 0 382.489 3.333 20 30 GGEDRN CC(=O)N[C@@H](C)CCc1ccc(C(=O)CSc2nnc(C)c(C)c2C#N)cc1 ZINC000182713827 1430524350 /nfs/dbraw/zinc/52/43/50/1430524350.db2.gz QPZWSMRQKQAZTC-ZDUSSCGKSA-N 0 0 396.516 3.397 20 30 GGEDRN N#Cc1ccc(N2CCC[C@@H](N3CCO[C@@H](c4ccccc4F)C3)C2=O)cc1 ZINC000182739987 1430530765 /nfs/dbraw/zinc/53/07/65/1430530765.db2.gz UWJPUEPGBFVFHA-NHCUHLMSSA-N 0 0 379.435 3.266 20 30 GGEDRN N#Cc1ccc(N2CCC[C@H](N3CCO[C@H](c4ccc(F)c(F)c4)C3)C2=O)cc1 ZINC000182740245 1430530804 /nfs/dbraw/zinc/53/08/04/1430530804.db2.gz CUPOXDSDVVTBJP-SFTDATJTSA-N 0 0 397.425 3.405 20 30 GGEDRN Cc1cc(N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)nn1-c1cccc(F)c1 ZINC000182757688 1430534376 /nfs/dbraw/zinc/53/43/76/1430534376.db2.gz HMWAOXLNZCYRRB-LJQANCHMSA-N 0 0 375.407 3.409 20 30 GGEDRN Cc1cc(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)nn1-c1cccc(F)c1 ZINC000182757708 1430534390 /nfs/dbraw/zinc/53/43/90/1430534390.db2.gz HMWAOXLNZCYRRB-IBGZPJMESA-N 0 0 375.407 3.409 20 30 GGEDRN C[C@@H](C#N)CNC(=O)N(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000182765383 1430536152 /nfs/dbraw/zinc/53/61/52/1430536152.db2.gz NWLBKJJDTYSPTK-HNNXBMFYSA-N 0 0 380.448 3.043 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)Nc3c(F)cc(Cl)cc3F)CC2)nc1 ZINC000182787456 1430539972 /nfs/dbraw/zinc/53/99/72/1430539972.db2.gz VIIKMYLTPXITDU-UHFFFAOYSA-N 0 0 377.782 3.239 20 30 GGEDRN C#CCCCCC(=O)Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000182790577 1430540546 /nfs/dbraw/zinc/54/05/46/1430540546.db2.gz AJYMCASVNIRTGQ-UHFFFAOYSA-N 0 0 375.428 3.418 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@H](C)C[C@H]1c1cccnc1 ZINC000182824652 1430547786 /nfs/dbraw/zinc/54/77/86/1430547786.db2.gz YIJRRIMXQOKQKS-VLIAUNLRSA-N 0 0 388.475 3.155 20 30 GGEDRN N#Cc1ccc(NC(=O)CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000182833840 1430549851 /nfs/dbraw/zinc/54/98/51/1430549851.db2.gz GYDPKCIIOIJNOG-HNNXBMFYSA-N 0 0 377.370 3.049 20 30 GGEDRN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182839138 1430551029 /nfs/dbraw/zinc/55/10/29/1430551029.db2.gz MXXDVHVUZSXHPP-DOTOQJQBSA-N 0 0 392.381 3.325 20 30 GGEDRN C=CCN(C(=O)Nc1ccc(N2CCC(C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000182843115 1430551914 /nfs/dbraw/zinc/55/19/14/1430551914.db2.gz ZJWAFAMEZBUBBP-LJQANCHMSA-N 0 0 391.537 3.130 20 30 GGEDRN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182844515 1430552421 /nfs/dbraw/zinc/55/24/21/1430552421.db2.gz HUWOVUCSPGAAON-BBRMVZONSA-N 0 0 391.397 3.438 20 30 GGEDRN C=CCn1nnnc1S[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000182866884 1430556808 /nfs/dbraw/zinc/55/68/08/1430556808.db2.gz WEBGLBIJECNZED-CQSZACIVSA-N 0 0 397.426 3.161 20 30 GGEDRN Cn1nnc2cc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cnc21 ZINC000182879049 1430560345 /nfs/dbraw/zinc/56/03/45/1430560345.db2.gz KHLRXDHCDMGHMT-UHFFFAOYSA-N 0 0 398.426 3.261 20 30 GGEDRN COc1cccc([C@H]2[C@H](C(=O)Nc3cccc(C#N)c3)CC(=O)N2C2CC2)c1 ZINC000182888952 1430563177 /nfs/dbraw/zinc/56/31/77/1430563177.db2.gz ZYGFOCQQTRHCNM-CTNGQTDRSA-N 0 0 375.428 3.258 20 30 GGEDRN COc1cccc([C@H]2[C@@H](C(=O)Nc3cccc(C#N)c3)CC(=O)N2C2CC2)c1 ZINC000182888986 1430563282 /nfs/dbraw/zinc/56/32/82/1430563282.db2.gz ZYGFOCQQTRHCNM-FPOVZHCZSA-N 0 0 375.428 3.258 20 30 GGEDRN N#CCOc1cccc(CC(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1 ZINC000182899880 1430566684 /nfs/dbraw/zinc/56/66/84/1430566684.db2.gz UGXYMSDCSOJNSF-HNNXBMFYSA-N 0 0 387.842 3.319 20 30 GGEDRN COCc1noc([C@H](C)ON=C(N)c2ccc(OCc3ccccc3)cc2)n1 ZINC000182916446 1430570440 /nfs/dbraw/zinc/57/04/40/1430570440.db2.gz BMMLJVXBVZLBIC-AWEZNQCLSA-N 0 0 382.420 3.193 20 30 GGEDRN N#Cc1ccc(CNC(=O)C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc1 ZINC000182931503 1430574757 /nfs/dbraw/zinc/57/47/57/1430574757.db2.gz PEBKFEMVEVGOJF-UHFFFAOYSA-N 0 0 397.394 3.016 20 30 GGEDRN CN(CC(C)(CO)CO)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000182934215 1430575095 /nfs/dbraw/zinc/57/50/95/1430575095.db2.gz VVOGQGYGVHYUTB-UHFFFAOYSA-N 0 0 388.851 3.067 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000182939644 1430576394 /nfs/dbraw/zinc/57/63/94/1430576394.db2.gz IQEQVKVXJICCME-UHFFFAOYSA-N 0 0 378.398 3.422 20 30 GGEDRN Cc1nc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)ccc1C#N ZINC000182952652 1430579719 /nfs/dbraw/zinc/57/97/19/1430579719.db2.gz DZSPXWYITZRTSR-INIZCTEOSA-N 0 0 389.242 3.104 20 30 GGEDRN N#Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)ccc1Cl ZINC000182971195 1430583000 /nfs/dbraw/zinc/58/30/00/1430583000.db2.gz IYWNECKRLRGMIP-UHFFFAOYSA-N 0 0 386.795 3.209 20 30 GGEDRN C[C@@](O)(CC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000182971391 1430583003 /nfs/dbraw/zinc/58/30/03/1430583003.db2.gz GPCMCJUBIWWYJN-OBFZPWGMSA-N 0 0 379.460 3.057 20 30 GGEDRN CC[C@@H]1c2ccsc2CCN1C(=O)CON=C1CCC2(CC1)OCCO2 ZINC000182973575 1430583336 /nfs/dbraw/zinc/58/33/36/1430583336.db2.gz VYFJGDNERQTKRK-MRXNPFEDSA-N 0 0 378.494 3.274 20 30 GGEDRN CC[C@H]1c2ccsc2CCN1C(=O)CON=C(N)Cc1ccc(OC)cc1 ZINC000182974637 1430583751 /nfs/dbraw/zinc/58/37/51/1430583751.db2.gz YRLZNLSJVVQUKI-KRWDZBQOSA-N 0 0 387.505 3.124 20 30 GGEDRN CN(C(=O)CCCCOc1cccc(C#N)c1)c1ccc(N2CCOCC2)nc1 ZINC000182985039 1430585485 /nfs/dbraw/zinc/58/54/85/1430585485.db2.gz XPIQEIDGLFLZEF-UHFFFAOYSA-N 0 0 394.475 3.002 20 30 GGEDRN CCOC(=O)c1c(NC(=O)CC(C)(C)c2ccccc2)c(C#N)cn1CCOC ZINC000182993529 1430587724 /nfs/dbraw/zinc/58/77/24/1430587724.db2.gz NJJVSEHRJKDXHM-UHFFFAOYSA-N 0 0 397.475 3.489 20 30 GGEDRN CCOC(=O)c1c(NC(=O)c2coc3ccccc23)c(C#N)cn1CCOC ZINC000182993556 1430587893 /nfs/dbraw/zinc/58/78/93/1430587893.db2.gz NXPKFWPGPZZWQN-UHFFFAOYSA-N 0 0 381.388 3.181 20 30 GGEDRN C=CCNC(=O)c1ccccc1NC(=O)c1ccn(-c2ccc(F)cc2C)n1 ZINC000182994710 1430588107 /nfs/dbraw/zinc/58/81/07/1430588107.db2.gz MYNCRELSEWEOCV-UHFFFAOYSA-N 0 0 378.407 3.488 20 30 GGEDRN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000182998142 1430588854 /nfs/dbraw/zinc/58/88/54/1430588854.db2.gz UUIYFRABAYEEBQ-UZLBHIALSA-N 0 0 392.459 3.312 20 30 GGEDRN C[C@H](Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccc(OCC#N)cc1 ZINC000183002727 1430589980 /nfs/dbraw/zinc/58/99/80/1430589980.db2.gz QJCVUJWRCVMFKQ-AWEZNQCLSA-N 0 0 384.867 3.352 20 30 GGEDRN Cc1cc(N2CCOCC2)ccc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183005707 1430590654 /nfs/dbraw/zinc/59/06/54/1430590654.db2.gz HBKFZDZKFYQBDC-UHFFFAOYSA-N 0 0 391.880 3.158 20 30 GGEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c1 ZINC000183012560 1430592221 /nfs/dbraw/zinc/59/22/21/1430592221.db2.gz KJUUKWKYXZPNDE-AWEZNQCLSA-N 0 0 392.443 3.248 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000183016445 1430593473 /nfs/dbraw/zinc/59/34/73/1430593473.db2.gz ZMBZTTNGWATIJS-UHFFFAOYSA-N 0 0 380.448 3.099 20 30 GGEDRN C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cc(C2CCCC2)nn1C ZINC000183017909 1430593642 /nfs/dbraw/zinc/59/36/42/1430593642.db2.gz KYSJOAHJTQYAFV-UHFFFAOYSA-N 0 0 380.492 3.274 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cc(C2CCCC2)nn1C ZINC000183018709 1430594077 /nfs/dbraw/zinc/59/40/77/1430594077.db2.gz UNDVSKPRIWBSQY-UHFFFAOYSA-N 0 0 391.475 3.103 20 30 GGEDRN CN1CCc2ccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)cc21 ZINC000183020732 1430594417 /nfs/dbraw/zinc/59/44/17/1430594417.db2.gz OJEHBKNJPQNRMG-UHFFFAOYSA-N 0 0 376.460 3.344 20 30 GGEDRN C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000183022191 1430594831 /nfs/dbraw/zinc/59/48/31/1430594831.db2.gz XECSUVUTRCXXSE-WMLDXEAASA-N 0 0 398.425 3.294 20 30 GGEDRN C=C(C)CN(C)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000183058611 1430601946 /nfs/dbraw/zinc/60/19/46/1430601946.db2.gz LKYWLRLHHKBTKI-UHFFFAOYSA-N 0 0 388.489 3.453 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)c1cn(CCOC)c2ccccc12 ZINC000183067342 1430604147 /nfs/dbraw/zinc/60/41/47/1430604147.db2.gz QHSWRJXCNSJIQU-UHFFFAOYSA-N 0 0 393.443 3.437 20 30 GGEDRN CC(=O)N1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)c2ccccc21 ZINC000183068689 1430604571 /nfs/dbraw/zinc/60/45/71/1430604571.db2.gz DNXLJHRUEJSVAI-UHFFFAOYSA-N 0 0 389.864 3.164 20 30 GGEDRN CC(C)(C)C[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(F)(F)F ZINC000183067822 1430604670 /nfs/dbraw/zinc/60/46/70/1430604670.db2.gz DJJIFQCZIZHJFF-CQSZACIVSA-N 0 0 379.386 3.423 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2C[C@H](n3ccnc3)Cc3ccccc32)c(Cl)c1 ZINC000183068990 1430604937 /nfs/dbraw/zinc/60/49/37/1430604937.db2.gz MCMGHZMELYUMAH-MRXNPFEDSA-N 0 0 398.875 3.401 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000183101341 1430612923 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20 30 GGEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)c1C ZINC000183124583 1430621789 /nfs/dbraw/zinc/62/17/89/1430621789.db2.gz QDBZQROZOWWVPP-PMUMKWKESA-N 0 0 393.491 3.240 20 30 GGEDRN CCC[C@@H]1C[C@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 ZINC000183137803 1430625400 /nfs/dbraw/zinc/62/54/00/1430625400.db2.gz YXWYXCIUKFQADR-HZPDHXFCSA-N 0 0 398.463 3.050 20 30 GGEDRN N#CCCn1ccc(NC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000183139071 1430626067 /nfs/dbraw/zinc/62/60/67/1430626067.db2.gz WGYJGUXPTUOGME-OAHLLOKOSA-N 0 0 393.369 3.421 20 30 GGEDRN CCC[C@H]1C[C@@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 ZINC000183137849 1430626465 /nfs/dbraw/zinc/62/64/65/1430626465.db2.gz YXWYXCIUKFQADR-HOTGVXAUSA-N 0 0 398.463 3.050 20 30 GGEDRN C[C@H]1CC(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C[C@H](C)C1 ZINC000183143066 1430627481 /nfs/dbraw/zinc/62/74/81/1430627481.db2.gz AYNNVOQOAKNHOB-HZPDHXFCSA-N 0 0 379.508 3.447 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)CN[C@@H](C[S@@](C)=O)c2ccccc2)c1C ZINC000183157414 1430632559 /nfs/dbraw/zinc/63/25/59/1430632559.db2.gz RBZCWIJIVAEALP-WTYVLRPYSA-N 0 0 397.544 3.260 20 30 GGEDRN N#Cc1ccc(NC(=O)CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000183167883 1430636633 /nfs/dbraw/zinc/63/66/33/1430636633.db2.gz XCMXKXDWXANIKC-UHFFFAOYSA-N 0 0 377.370 3.049 20 30 GGEDRN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183182792 1430641643 /nfs/dbraw/zinc/64/16/43/1430641643.db2.gz ZRDYLODEVDVYLK-CYBMUJFWSA-N 0 0 391.397 3.438 20 30 GGEDRN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(SC2CCCCC2)cc1C ZINC000183218221 1430650637 /nfs/dbraw/zinc/65/06/37/1430650637.db2.gz YLNCFDNDBXAPOI-HNNXBMFYSA-N 0 0 376.522 3.412 20 30 GGEDRN Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)c1C#N ZINC000183250831 1430660170 /nfs/dbraw/zinc/66/01/70/1430660170.db2.gz QGCHQOXQTZQQJB-QGZVFWFLSA-N 0 0 386.448 3.432 20 30 GGEDRN N#Cc1cccc(CS(=O)(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1 ZINC000183261759 1430663210 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GGEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCOc3cc(F)ccc32)cc1Cl ZINC000183386490 1430697692 /nfs/dbraw/zinc/69/76/92/1430697692.db2.gz GFAFVQPNSOCKRV-MRXNPFEDSA-N 0 0 387.798 3.319 20 30 GGEDRN COc1ccc([C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C(F)(F)F)cc1 ZINC000183394907 1430700548 /nfs/dbraw/zinc/70/05/48/1430700548.db2.gz CQKSFFRFGJLBAM-KRWDZBQOSA-N 0 0 398.406 3.234 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCCCC2)c(Cl)c1 ZINC000183396540 1430700913 /nfs/dbraw/zinc/70/09/13/1430700913.db2.gz KGRMTHNIDVJKLK-INIZCTEOSA-N 0 0 393.896 3.310 20 30 GGEDRN CN(Cc1cc(F)c(F)c(F)c1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000183436934 1430711645 /nfs/dbraw/zinc/71/16/45/1430711645.db2.gz KEJLUUAGPORQHU-UHFFFAOYSA-N 0 0 381.741 3.226 20 30 GGEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000183439023 1430712071 /nfs/dbraw/zinc/71/20/71/1430712071.db2.gz VVOCKKYAAYIXFB-NFOMZHRRSA-N 0 0 395.429 3.144 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000183440991 1430712612 /nfs/dbraw/zinc/71/26/12/1430712612.db2.gz NEPPTKUQAPDNKK-UHFFFAOYSA-N 0 0 389.908 3.108 20 30 GGEDRN C[C@H](C[S@@](C)=O)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000183441219 1430713114 /nfs/dbraw/zinc/71/31/14/1430713114.db2.gz SYJRBRJTEBARBQ-YVORESIASA-N 0 0 385.489 3.220 20 30 GGEDRN C[C@@H]1CN(c2ccc(C(=O)OC[C@H](C#N)Cc3ccccc3)cn2)C[C@@H](C)O1 ZINC000183445609 1430713966 /nfs/dbraw/zinc/71/39/66/1430713966.db2.gz DKFUKVVOTBCOJG-LMMKCTJWSA-N 0 0 379.460 3.234 20 30 GGEDRN Cn1cc(CN2CCN(Cc3ccccc3)[C@H](C#N)C2)c(-c2cccs2)n1 ZINC000183451350 1430715197 /nfs/dbraw/zinc/71/51/97/1430715197.db2.gz DCCIDRUCFJJYJT-LJQANCHMSA-N 0 0 377.517 3.359 20 30 GGEDRN N#Cc1ccc(OC[C@H](O)CN[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1 ZINC000183453354 1430715641 /nfs/dbraw/zinc/71/56/41/1430715641.db2.gz WLTNPPMSRIFDSY-PXAZEXFGSA-N 0 0 386.320 3.469 20 30 GGEDRN COc1cccc(C(=O)NCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1 ZINC000183459576 1430717259 /nfs/dbraw/zinc/71/72/59/1430717259.db2.gz YYTDKKUBYZZAIR-HNNXBMFYSA-N 0 0 392.242 3.113 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000183464414 1430718088 /nfs/dbraw/zinc/71/80/88/1430718088.db2.gz KLZBPSCETGKXBC-UHFFFAOYSA-N 0 0 399.451 3.064 20 30 GGEDRN C=C(C)CN(C)C(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000183472709 1430720540 /nfs/dbraw/zinc/72/05/40/1430720540.db2.gz NHRFTNFNFIGOBX-INIZCTEOSA-N 0 0 383.414 3.414 20 30 GGEDRN CC[C@@H](C)Oc1cc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)ccn1 ZINC000183475457 1430721194 /nfs/dbraw/zinc/72/11/94/1430721194.db2.gz SAJHYVIQRIANFO-OAHLLOKOSA-N 0 0 394.475 3.315 20 30 GGEDRN CC[C@H](C)Oc1cc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)ccn1 ZINC000183475483 1430721297 /nfs/dbraw/zinc/72/12/97/1430721297.db2.gz SAJHYVIQRIANFO-HNNXBMFYSA-N 0 0 394.475 3.315 20 30 GGEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Cl)cc1C(=O)OC ZINC000183483037 1430723492 /nfs/dbraw/zinc/72/34/92/1430723492.db2.gz BZHASRPHOYMXNC-UHFFFAOYSA-N 0 0 392.864 3.341 20 30 GGEDRN COc1cccc([C@H]2[C@@H](C(=O)Nc3ccc(F)c(C#N)c3)CC(=O)N2C2CC2)c1 ZINC000183484402 1430724001 /nfs/dbraw/zinc/72/40/01/1430724001.db2.gz XZURRHGEJUEOLP-RXVVDRJESA-N 0 0 393.418 3.397 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3ncn(C)n3)cc2)cc1 ZINC000183493435 1430726894 /nfs/dbraw/zinc/72/68/94/1430726894.db2.gz FTEMIPPOBFKXNO-UHFFFAOYSA-N 0 0 376.420 3.042 20 30 GGEDRN CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000183500196 1430729137 /nfs/dbraw/zinc/72/91/37/1430729137.db2.gz QBSPECAGYHGWLF-FCHUYYIVSA-N 0 0 393.487 3.497 20 30 GGEDRN N#C[C@H](C(=O)c1ccnc(O[C@@H]2CCOC2)c1)c1nc2ccccc2n1C(F)F ZINC000183504172 1430729783 /nfs/dbraw/zinc/72/97/83/1430729783.db2.gz KOJSKCRGCOQIAL-ZIAGYGMSSA-N 0 0 398.369 3.484 20 30 GGEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc2c(c1)CCC(=O)N2 ZINC000183507163 1430731184 /nfs/dbraw/zinc/73/11/84/1430731184.db2.gz ZHQRRMWSJOBJBN-LLVKDONJSA-N 0 0 389.864 3.136 20 30 GGEDRN CNc1nnc(CC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)s1 ZINC000183524304 1430734747 /nfs/dbraw/zinc/73/47/47/1430734747.db2.gz DMRLGXSEEBMVTG-UHFFFAOYSA-N 0 0 395.463 3.362 20 30 GGEDRN C=CCOc1ccc(COC(=O)CCn2cnc3c(C)cccc3c2=O)cc1 ZINC000183573045 1430744286 /nfs/dbraw/zinc/74/42/86/1430744286.db2.gz LLDCHSRYMYMNBR-UHFFFAOYSA-N 0 0 378.428 3.403 20 30 GGEDRN CCn1c(CCNS(=O)(=O)c2ccc(C#N)cc2Cl)nc2ccccc21 ZINC000183576666 1430745145 /nfs/dbraw/zinc/74/51/45/1430745145.db2.gz IEXFICWYAKCUJE-UHFFFAOYSA-N 0 0 388.880 3.102 20 30 GGEDRN C#CCN1CCN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)CC1 ZINC000183590345 1430748587 /nfs/dbraw/zinc/74/85/87/1430748587.db2.gz MVFXJOORIQQMPL-UHFFFAOYSA-N 0 0 377.366 3.060 20 30 GGEDRN C[C@@H]1CN(c2ccc(C(=O)OC[C@H](C#N)Cc3cccs3)cn2)C[C@@H](C)O1 ZINC000183618164 1430755797 /nfs/dbraw/zinc/75/57/97/1430755797.db2.gz RDFSRFWJDCQIKW-OAGGEKHMSA-N 0 0 385.489 3.296 20 30 GGEDRN CN(C)c1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c2ccccc2n1 ZINC000183623302 1430757033 /nfs/dbraw/zinc/75/70/33/1430757033.db2.gz YLLZXEGHVPOUKF-LJQANCHMSA-N 0 0 399.498 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N#Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000183737639 1430784131 /nfs/dbraw/zinc/78/41/31/1430784131.db2.gz IWTWZAYNYHJXDB-CYBMUJFWSA-N 0 0 381.310 3.337 20 30 GGEDRN CC(C)S(=O)(=O)c1ccc(CC(=O)OC[C@@H](C#N)Cc2cccs2)cc1 ZINC000183741122 1430784551 /nfs/dbraw/zinc/78/45/51/1430784551.db2.gz PETKEZCGIZFKIT-MRXNPFEDSA-N 0 0 391.514 3.398 20 30 GGEDRN Cc1nn(-c2ccccc2)cc1NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000183746184 1430786048 /nfs/dbraw/zinc/78/60/48/1430786048.db2.gz RULYMMOIBFNWKT-UHFFFAOYSA-N 0 0 386.459 3.407 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1cnn(-c2ccccc2)c1 ZINC000183749868 1430786799 /nfs/dbraw/zinc/78/67/99/1430786799.db2.gz VBZVERWYJDHDBJ-UHFFFAOYSA-N 0 0 377.404 3.413 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cn(-c2ccccc2)nc1C ZINC000183750561 1430786864 /nfs/dbraw/zinc/78/68/64/1430786864.db2.gz FGBKVDNBQJLBCD-UHFFFAOYSA-N 0 0 399.454 3.206 20 30 GGEDRN Cc1cc2c(cc1NC(=O)N1CCCN(c3ccccc3C#N)CC1)OCO2 ZINC000183776234 1430791548 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C=CCSc1ccccc1NC(=O)CN1CCC[C@@H](C2(C)OCCO2)C1 ZINC000183820800 1430800874 /nfs/dbraw/zinc/80/08/74/1430800874.db2.gz AKFHQBYOENXWNG-MRXNPFEDSA-N 0 0 376.522 3.378 20 30 GGEDRN CCCCCCCCOCC(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000183845779 1430804393 /nfs/dbraw/zinc/80/43/93/1430804393.db2.gz HKCVCKLPXZIWJF-UHFFFAOYSA-N 0 0 382.526 3.324 20 30 GGEDRN CC[C@H](CC#N)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000183850689 1430804982 /nfs/dbraw/zinc/80/49/82/1430804982.db2.gz RENDXUKBLZIRKA-GOSISDBHSA-N 0 0 391.537 3.019 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)OCC1(C#N)CCC1 ZINC000183857661 1430805667 /nfs/dbraw/zinc/80/56/67/1430805667.db2.gz MGSUKORWNXWQOB-INIZCTEOSA-N 0 0 390.505 3.409 20 30 GGEDRN CC[C@H](CC#N)NC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000183866424 1430806678 /nfs/dbraw/zinc/80/66/78/1430806678.db2.gz PLKOZNZFDKNLRR-GOSISDBHSA-N 0 0 399.516 3.389 20 30 GGEDRN N#CC1(COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CCCC1 ZINC000183868046 1430806814 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GGEDRN C[C@H](Sc1nnnn1C1CC1)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000183901909 1430810863 /nfs/dbraw/zinc/81/08/63/1430810863.db2.gz XBDOERCIQIUUNC-ZVLZOBCMSA-N 0 0 376.530 3.103 20 30 GGEDRN COc1cc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)ccc1OC(C)C ZINC000183908763 1430811952 /nfs/dbraw/zinc/81/19/52/1430811952.db2.gz PXGFYYULPBYRDD-UHFFFAOYSA-N 0 0 383.448 3.231 20 30 GGEDRN CC(C)(C)C1CCC(C#N)(NC(=O)CNC(=O)c2ccc(F)c(F)c2)CC1 ZINC000183910313 1430812254 /nfs/dbraw/zinc/81/22/54/1430812254.db2.gz QHOMNTFYGUUIEO-UHFFFAOYSA-N 0 0 377.435 3.309 20 30 GGEDRN CC[C@H](CC#N)NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000183914534 1430812769 /nfs/dbraw/zinc/81/27/69/1430812769.db2.gz ODPVYHNSGOHESX-MRXNPFEDSA-N 0 0 377.510 3.062 20 30 GGEDRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)OCC2(C#N)CCC2)c1 ZINC000183919579 1430813321 /nfs/dbraw/zinc/81/33/21/1430813321.db2.gz SLXZZRFJFLMUIH-OAHLLOKOSA-N 0 0 376.478 3.100 20 30 GGEDRN C=CCc1ccc(OCC(=O)N[C@]2(C#N)CCc3ccccc3C2)c(OC)c1 ZINC000183920198 1430813354 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COC(=O)COc1c(C)cc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1C ZINC000183987937 1430824318 /nfs/dbraw/zinc/82/43/18/1430824318.db2.gz AMBMPBLCFWAPJH-HSZRJFAPSA-N 0 0 392.455 3.036 20 30 GGEDRN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000183993225 1430825414 /nfs/dbraw/zinc/82/54/14/1430825414.db2.gz GFQSPMFFKDTXGA-CYBMUJFWSA-N 0 0 378.457 3.117 20 30 GGEDRN CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1 ZINC000184000308 1430826637 /nfs/dbraw/zinc/82/66/37/1430826637.db2.gz HOJNZTPWENLBDP-XMMPIXPASA-N 0 0 389.499 3.482 20 30 GGEDRN Cc1cnc([C@@H](C)CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)s1 ZINC000184007553 1430828041 /nfs/dbraw/zinc/82/80/41/1430828041.db2.gz QPGKFDAGBASFAK-HNNXBMFYSA-N 0 0 384.505 3.398 20 30 GGEDRN CC(C)(C)C(=O)Nc1nc(CC(=O)N[C@@]2(C#N)CCc3ccccc3C2)cs1 ZINC000184012075 1430828602 /nfs/dbraw/zinc/82/86/02/1430828602.db2.gz BIXQLJANJIDJLN-NRFANRHFSA-N 0 0 396.516 3.238 20 30 GGEDRN Cc1c(C(=O)N[C@]2(C#N)CCc3ccccc3C2)nnn1-c1ccccc1Cl ZINC000184012564 1430828672 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GGEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCOCC3(CCOCC3)C2)c1 ZINC000184085835 1430839266 /nfs/dbraw/zinc/83/92/66/1430839266.db2.gz KACOEWIOEGNWKY-FQEVSTJZSA-N 0 0 399.535 3.068 20 30 GGEDRN C=CCc1cc(CNc2cccc3c2CCN3C(=O)COC)cc(OC)c1O ZINC000184133661 1430845757 /nfs/dbraw/zinc/84/57/57/1430845757.db2.gz ZHVJFOPHWOCGOQ-UHFFFAOYSA-N 0 0 382.460 3.277 20 30 GGEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1CCCCC[C@@H]1c1ncon1 ZINC000184135581 1430845973 /nfs/dbraw/zinc/84/59/73/1430845973.db2.gz PIUJPMHIDGSUPM-QGZVFWFLSA-N 0 0 381.436 3.194 20 30 GGEDRN CCOC(=O)c1sc2nc(CN(C)C)nc(N[C@@H](CC)CC#N)c2c1C ZINC000184153247 1430847873 /nfs/dbraw/zinc/84/78/73/1430847873.db2.gz FBAIIEKQLJEGBP-LBPRGKRZSA-N 0 0 375.498 3.342 20 30 GGEDRN N#Cc1ccccc1COc1ccc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000184155528 1430848078 /nfs/dbraw/zinc/84/80/78/1430848078.db2.gz RBFIRINTBFJHPQ-UHFFFAOYSA-N 0 0 398.422 3.237 20 30 GGEDRN N#CCCN(Cc1ccco1)C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1 ZINC000184156996 1430848257 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Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000184197586 1430854918 /nfs/dbraw/zinc/85/49/18/1430854918.db2.gz NMYNTHVPCZJTPO-UHFFFAOYSA-N 0 0 376.441 3.245 20 30 GGEDRN COc1cc(CN2CCN(c3cccc(F)c3C#N)CC2)c([N+](=O)[O-])cc1F ZINC000184223717 1430858546 /nfs/dbraw/zinc/85/85/46/1430858546.db2.gz VRXQXSVOXUJXDN-UHFFFAOYSA-N 0 0 388.374 3.075 20 30 GGEDRN CN(C)C(=O)c1cccc(S(=O)(=O)NC2(C#N)CCC(C(C)(C)C)CC2)c1 ZINC000184235029 1430860382 /nfs/dbraw/zinc/86/03/82/1430860382.db2.gz VWXAKVUALQXRKC-UHFFFAOYSA-N 0 0 391.537 3.165 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)c(F)c1 ZINC000184241628 1430861058 /nfs/dbraw/zinc/86/10/58/1430861058.db2.gz AIMVFHQAMRFCFI-MRXNPFEDSA-N 0 0 398.818 3.252 20 30 GGEDRN COc1cc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000184261417 1430863889 /nfs/dbraw/zinc/86/38/89/1430863889.db2.gz CTENAUFSIGBBDL-IBGZPJMESA-N 0 0 384.411 3.125 20 30 GGEDRN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000184267694 1430864922 /nfs/dbraw/zinc/86/49/22/1430864922.db2.gz NTNNGGRKYBPYOI-QGZVFWFLSA-N 0 0 396.878 3.278 20 30 GGEDRN CCS(=O)(=O)c1cc(F)ccc1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000184281467 1430867428 /nfs/dbraw/zinc/86/74/28/1430867428.db2.gz QSGOXENIRVYAEX-UHFFFAOYSA-N 0 0 375.425 3.155 20 30 GGEDRN N#C[C@H](C(=O)c1c[nH]nc1-c1c(F)cccc1F)c1nnc2n1CCCCC2 ZINC000184292049 1430868919 /nfs/dbraw/zinc/86/89/19/1430868919.db2.gz UQBVRTHKXHVAAB-LLVKDONJSA-N 0 0 382.374 3.163 20 30 GGEDRN C=CCOc1cc(OC)ccc1C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000184300672 1430870564 /nfs/dbraw/zinc/87/05/64/1430870564.db2.gz YBHFGZLXEWEVHJ-LJQANCHMSA-N 0 0 395.377 3.440 20 30 GGEDRN C=CCOc1cc(OC)ccc1C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000184300692 1430870579 /nfs/dbraw/zinc/87/05/79/1430870579.db2.gz YBHFGZLXEWEVHJ-IBGZPJMESA-N 0 0 395.377 3.440 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)NCCC[C@@H]3CCCCO3)CC2)nc1 ZINC000184303821 1430871026 /nfs/dbraw/zinc/87/10/26/1430871026.db2.gz POVSQLLSXVLHLZ-XBMUEBEBSA-N 0 0 386.496 3.292 20 30 GGEDRN COCCOc1ccc(C#N)cc1NCc1ccc(OCc2noc(C)n2)cc1 ZINC000184322572 1430873058 /nfs/dbraw/zinc/87/30/58/1430873058.db2.gz LGSOPOZKBQHIRW-UHFFFAOYSA-N 0 0 394.431 3.466 20 30 GGEDRN CN(C)[C@@H](CNS(=O)(=O)c1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000184331435 1430873858 /nfs/dbraw/zinc/87/38/58/1430873858.db2.gz JYUFJXXJBRLIHK-INIZCTEOSA-N 0 0 397.422 3.158 20 30 GGEDRN Cc1cc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c2c(n1)onc2C(C)C ZINC000184331076 1430873945 /nfs/dbraw/zinc/87/39/45/1430873945.db2.gz BDCAULPOSLSSHC-UHFFFAOYSA-N 0 0 376.416 3.430 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000184330955 1430873979 /nfs/dbraw/zinc/87/39/79/1430873979.db2.gz LOFPANDJLHPTSB-OAHLLOKOSA-N 0 0 399.882 3.376 20 30 GGEDRN COc1ccc(COCCCNS(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000184332047 1430874215 /nfs/dbraw/zinc/87/42/15/1430874215.db2.gz PADMCOVXZLSSDQ-UHFFFAOYSA-N 0 0 394.880 3.105 20 30 GGEDRN Cc1nc2cc(F)cc(C(=O)N3CC(Oc4ccc(C#N)cc4)C3)c2nc1C ZINC000184336968 1430874901 /nfs/dbraw/zinc/87/49/01/1430874901.db2.gz RXFHFGRLYZPENB-UHFFFAOYSA-N 0 0 376.391 3.161 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000184354141 1430876992 /nfs/dbraw/zinc/87/69/92/1430876992.db2.gz SQKHXDQYIRGDCR-GFCCVEGCSA-N 0 0 388.374 3.358 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000184354530 1430877250 /nfs/dbraw/zinc/87/72/50/1430877250.db2.gz OYJCVVSZCRPPBL-XLIONFOSSA-N 0 0 394.475 3.172 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000184372242 1430879831 /nfs/dbraw/zinc/87/98/31/1430879831.db2.gz QRLJQTNPYBQFJJ-CYBMUJFWSA-N 0 0 378.400 3.023 20 30 GGEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000184392406 1430882362 /nfs/dbraw/zinc/88/23/62/1430882362.db2.gz CCQSDZMGVVQHRW-OAHLLOKOSA-N 0 0 399.454 3.257 20 30 GGEDRN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000184404482 1430883904 /nfs/dbraw/zinc/88/39/04/1430883904.db2.gz YJAOPPSGZDZNCE-OAHLLOKOSA-N 0 0 396.878 3.164 20 30 GGEDRN CC[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1nc(C)cs1 ZINC000184410318 1430884507 /nfs/dbraw/zinc/88/45/07/1430884507.db2.gz ZLQKZPCKJJTFEC-INIZCTEOSA-N 0 0 380.477 3.188 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)c1ccn(-c2ccc(F)cc2C)n1 ZINC000184422239 1430886102 /nfs/dbraw/zinc/88/61/02/1430886102.db2.gz BAMOPMNYEIHZOZ-UHFFFAOYSA-N 0 0 394.406 3.469 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)CCCc1nc(C(C)(C)C)no1 ZINC000184425804 1430886677 /nfs/dbraw/zinc/88/66/77/1430886677.db2.gz AKEOFJVLRPFDIT-UHFFFAOYSA-N 0 0 386.452 3.225 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)c1ccccc1-c1nc(C)no1 ZINC000184433313 1430887291 /nfs/dbraw/zinc/88/72/91/1430887291.db2.gz DZKNYHKCACDUEI-UHFFFAOYSA-N 0 0 378.388 3.194 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)[C@@H](C)Oc1ccc(F)c(F)c1 ZINC000184439048 1430887962 /nfs/dbraw/zinc/88/79/62/1430887962.db2.gz RWHPSWIEKZVYKB-GFCCVEGCSA-N 0 0 376.359 3.268 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000184446283 1430888705 /nfs/dbraw/zinc/88/87/05/1430888705.db2.gz LBQORQFFQORJGQ-UHFFFAOYSA-N 0 0 389.795 3.326 20 30 GGEDRN CC(C)OC(=O)C[C@@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000184450590 1430889131 /nfs/dbraw/zinc/88/91/31/1430889131.db2.gz NNFDQNSRTONOMJ-AZUAARDMSA-N 0 0 383.492 3.107 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)c1cnn(-c2ccccc2)c1C ZINC000184455963 1430889985 /nfs/dbraw/zinc/88/99/85/1430889985.db2.gz WJNVCZSWCVALQQ-UHFFFAOYSA-N 0 0 376.416 3.330 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)c1cccc(-c2nnc(C)o2)c1 ZINC000184458954 1430890247 /nfs/dbraw/zinc/89/02/47/1430890247.db2.gz FSGNDLXXMQIGQV-UHFFFAOYSA-N 0 0 378.388 3.194 20 30 GGEDRN CCOc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(Cl)cc1C#N ZINC000184465029 1430890949 /nfs/dbraw/zinc/89/09/49/1430890949.db2.gz XGXNUKBCDBYWPT-UHFFFAOYSA-N 0 0 393.896 3.473 20 30 GGEDRN N#Cc1ccc(N2CCN(Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)nc1 ZINC000184467633 1430891143 /nfs/dbraw/zinc/89/11/43/1430891143.db2.gz AYHXWTJZYSOLMZ-UHFFFAOYSA-N 0 0 378.867 3.115 20 30 GGEDRN CCOC(=O)c1cc(NCc2ccc(Cl)cc2C#N)cc(S(C)(=O)=O)c1 ZINC000184483707 1430892963 /nfs/dbraw/zinc/89/29/63/1430892963.db2.gz DDNJPWGBGRCRIN-UHFFFAOYSA-N 0 0 392.864 3.404 20 30 GGEDRN COCCOc1ccc(C#N)cc1N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000184485287 1430893241 /nfs/dbraw/zinc/89/32/41/1430893241.db2.gz BRHTZEQHYKXRFA-CYBMUJFWSA-N 0 0 392.452 3.299 20 30 GGEDRN COCCOc1ccc(C#N)cc1N[C@H](C)CC(=O)Nc1cccnc1Cl ZINC000184490725 1430894163 /nfs/dbraw/zinc/89/41/63/1430894163.db2.gz XGXGEVLYUJYZBS-CYBMUJFWSA-N 0 0 388.855 3.461 20 30 GGEDRN Cc1cnc([C@H](C)CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)s1 ZINC000184490995 1430894168 /nfs/dbraw/zinc/89/41/68/1430894168.db2.gz YSFTYXNJSCKIKH-CYBMUJFWSA-N 0 0 387.484 3.098 20 30 GGEDRN COC(=O)CC[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000184491918 1430894177 /nfs/dbraw/zinc/89/41/77/1430894177.db2.gz MTLFZPKZJUMEER-MRXNPFEDSA-N 0 0 392.864 3.184 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000184495978 1430895108 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IUMQREDGFXKVSE-GOSISDBHSA-N 0 0 395.427 3.488 20 30 GGEDRN CC#CCCCC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000186151030 1431342269 /nfs/dbraw/zinc/34/22/69/1431342269.db2.gz DAXBONHTJXYQMS-OAHLLOKOSA-N 0 0 382.460 3.021 20 30 GGEDRN N#CCc1cccc(C(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)c1 ZINC000186180125 1431347647 /nfs/dbraw/zinc/34/76/47/1431347647.db2.gz MDEMEQVKPXAIKA-UHFFFAOYSA-N 0 0 386.411 3.417 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(SC)c2[N+](=O)[O-])c1 ZINC000186185201 1431348295 /nfs/dbraw/zinc/34/82/95/1431348295.db2.gz MNKMUTIIDUYJGS-UHFFFAOYSA-N 0 0 383.429 3.009 20 30 GGEDRN C=CCOc1ccc(COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 ZINC000186198533 1431350918 /nfs/dbraw/zinc/35/09/18/1431350918.db2.gz CHGBCWMQBBJDBR-UHFFFAOYSA-N 0 0 376.412 3.213 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)NC[C@@H](C)c2nccs2)ccc1OC ZINC000186203826 1431352034 /nfs/dbraw/zinc/35/20/34/1431352034.db2.gz GOHFQUVQODJHPF-HIFRSBDPSA-N 0 0 388.493 3.436 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCc2c1cccc2C(F)(F)F ZINC000186246798 1431361761 /nfs/dbraw/zinc/36/17/61/1431361761.db2.gz YTHDHAAZBMWXIM-UHFFFAOYSA-N 0 0 387.361 3.125 20 30 GGEDRN COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC000186281087 1431370983 /nfs/dbraw/zinc/37/09/83/1431370983.db2.gz HTJMYNQSWJXZOK-CQSZACIVSA-N 0 0 384.379 3.191 20 30 GGEDRN C[C@@H](Nc1cnn(Cc2ccccn2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000186283686 1431371275 /nfs/dbraw/zinc/37/12/75/1431371275.db2.gz MXLHHIXVJCHQEH-MRXNPFEDSA-N 0 0 392.438 3.213 20 30 GGEDRN C[C@H](Nc1cnn(Cc2ccccn2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000186283666 1431371359 /nfs/dbraw/zinc/37/13/59/1431371359.db2.gz MXLHHIXVJCHQEH-INIZCTEOSA-N 0 0 392.438 3.213 20 30 GGEDRN Cc1cccc(NC(=O)CN2CCN([C@H](C)c3cccc(C#N)c3)CC2)c1C ZINC000186289112 1431372355 /nfs/dbraw/zinc/37/23/55/1431372355.db2.gz RSKVMRGFAOGODL-LJQANCHMSA-N 0 0 376.504 3.492 20 30 GGEDRN CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000186288998 1431372381 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GGEDRN Cc1oc2ccc(NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)cc2c1C ZINC000186439478 1431420228 /nfs/dbraw/zinc/42/02/28/1431420228.db2.gz PBSZGHHHYXBMKX-CYBMUJFWSA-N 0 0 390.447 3.454 20 30 GGEDRN Cc1cccc(N2CCN(C(=O)Nc3ncccc3OCCCC#N)CC2)c1 ZINC000186449519 1431422513 /nfs/dbraw/zinc/42/25/13/1431422513.db2.gz KRHLPZGSJLCAIE-UHFFFAOYSA-N 0 0 379.464 3.427 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000186451710 1431423230 /nfs/dbraw/zinc/42/32/30/1431423230.db2.gz PZRJCTDLEVXFME-QGZVFWFLSA-N 0 0 379.464 3.412 20 30 GGEDRN C=CC[C@H](C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 ZINC000186460433 1431425529 /nfs/dbraw/zinc/42/55/29/1431425529.db2.gz QGJGOMCDPQTSRC-NRFANRHFSA-N 0 0 398.528 3.021 20 30 GGEDRN CSc1nnc(CCCNC(=O)c2cccc(F)c2C#N)n1C1CCCC1 ZINC000186461343 1431425928 /nfs/dbraw/zinc/42/59/28/1431425928.db2.gz AHVNQDAEYRVQJE-UHFFFAOYSA-N 0 0 387.484 3.488 20 30 GGEDRN N#CC1(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CCCC1 ZINC000186465633 1431427041 /nfs/dbraw/zinc/42/70/41/1431427041.db2.gz ATNNROMSWQFBPM-AWEZNQCLSA-N 0 0 379.382 3.006 20 30 GGEDRN C=CC[C@@H](C(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1)c1ccccc1 ZINC000186467924 1431427708 /nfs/dbraw/zinc/42/77/08/1431427708.db2.gz DHNKIYGKPHAHET-OAQYLSRUSA-N 0 0 378.472 3.340 20 30 GGEDRN C=CC[C@H](C(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000186468218 1431428178 /nfs/dbraw/zinc/42/81/78/1431428178.db2.gz TYNKADYOAFCHDW-NRFANRHFSA-N 0 0 378.472 3.340 20 30 GGEDRN N#Cc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1 ZINC000186471973 1431429328 /nfs/dbraw/zinc/42/93/28/1431429328.db2.gz VFHXKPBBEFKPTJ-INIZCTEOSA-N 0 0 387.361 3.108 20 30 GGEDRN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186480194 1431431357 /nfs/dbraw/zinc/43/13/57/1431431357.db2.gz NVXZCCIUXQNFTI-AWEZNQCLSA-N 0 0 385.414 3.147 20 30 GGEDRN COc1cc(C#N)ccc1OCCN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186479932 1431431571 /nfs/dbraw/zinc/43/15/71/1431431571.db2.gz CHIQAJWANUWCAA-UHFFFAOYSA-N 0 0 388.414 3.207 20 30 GGEDRN CC(C)c1cc(NC(=O)NCc2cc(C#N)ccc2F)n(-c2ncccn2)n1 ZINC000186481514 1431432282 /nfs/dbraw/zinc/43/22/82/1431432282.db2.gz XJSODIIIVHJALV-UHFFFAOYSA-N 0 0 379.399 3.118 20 30 GGEDRN CC(C)c1cc(NC(=O)N(CCC#N)Cc2ccco2)n(-c2ncccn2)n1 ZINC000186482972 1431432446 /nfs/dbraw/zinc/43/24/46/1431432446.db2.gz MPSWQYYONFCDGK-UHFFFAOYSA-N 0 0 379.424 3.326 20 30 GGEDRN C=CCn1c2ncn(CCc3ccccc3C(=O)OC)c(=O)c2sc1=S ZINC000186485888 1431433489 /nfs/dbraw/zinc/43/34/89/1431433489.db2.gz OSGPGODMFZGJDQ-UHFFFAOYSA-N 0 0 387.486 3.204 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H]2CC)cc1 ZINC000186499910 1431437707 /nfs/dbraw/zinc/43/77/07/1431437707.db2.gz DRUQGRUKXHLBIU-LPHOPBHVSA-N 0 0 383.492 3.086 20 30 GGEDRN N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@]23CCOC3=O)c1 ZINC000186550007 1431451502 /nfs/dbraw/zinc/45/15/02/1431451502.db2.gz FFFQNSBQCKAXFZ-JOCHJYFZSA-N 0 0 376.412 3.059 20 30 GGEDRN C=CC[C@@H](C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000186577574 1431458853 /nfs/dbraw/zinc/45/88/53/1431458853.db2.gz KEVGHQFKNQFCDD-GOSISDBHSA-N 0 0 392.908 3.094 20 30 GGEDRN C[NH+](C)CCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000186589680 1431462409 /nfs/dbraw/zinc/46/24/09/1431462409.db2.gz VCHSWGVAWQHNRM-UHFFFAOYSA-N 0 0 393.896 3.343 20 30 GGEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)Cc2cc(F)ccc2OC)ccc1OC ZINC000186607814 1431467551 /nfs/dbraw/zinc/46/75/51/1431467551.db2.gz YUWJKNPSCNBAMI-KRWDZBQOSA-N 0 0 386.423 3.383 20 30 GGEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(c3ccc(Cl)cc3)CC2)n1 ZINC000186608128 1431468112 /nfs/dbraw/zinc/46/81/12/1431468112.db2.gz SKVUIHWNYKMSLG-UHFFFAOYSA-N 0 0 399.882 3.334 20 30 GGEDRN CCOc1ccc2c(c1)[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)CCO2 ZINC000186642866 1431478230 /nfs/dbraw/zinc/47/82/30/1431478230.db2.gz AZSCHVPZEXSCOM-INIZCTEOSA-N 0 0 392.864 3.412 20 30 GGEDRN CCOc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)CCO2 ZINC000186643082 1431478261 /nfs/dbraw/zinc/47/82/61/1431478261.db2.gz RVMZUAGTJROPFJ-KRWDZBQOSA-N 0 0 392.864 3.412 20 30 GGEDRN CCOc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)CCO2 ZINC000186646230 1431479403 /nfs/dbraw/zinc/47/94/03/1431479403.db2.gz WBDHJALAYPNLEO-INIZCTEOSA-N 0 0 392.864 3.412 20 30 GGEDRN CCOc1ccc2c(c1)[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)CCO2 ZINC000186646870 1431479864 /nfs/dbraw/zinc/47/98/64/1431479864.db2.gz VVNVLUHHRDRIHT-MRXNPFEDSA-N 0 0 392.864 3.412 20 30 GGEDRN CCOc1ccc2c(c1)[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)CCO2 ZINC000186646888 1431479947 /nfs/dbraw/zinc/47/99/47/1431479947.db2.gz VVNVLUHHRDRIHT-INIZCTEOSA-N 0 0 392.864 3.412 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)c2ccc(OC)cc2OCCCC)c1 ZINC000186652558 1431481196 /nfs/dbraw/zinc/48/11/96/1431481196.db2.gz FBUGYDSHHBPRNV-UHFFFAOYSA-N 0 0 380.444 3.224 20 30 GGEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCN(C3CC3)c3ccc(F)cc32)c(F)c1 ZINC000186670302 1431487120 /nfs/dbraw/zinc/48/71/20/1431487120.db2.gz AYXUPTKGMLIWQO-UHFFFAOYSA-N 0 0 393.390 3.153 20 30 GGEDRN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000186670877 1431487168 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N#Cc1ccc(NC(=O)C(=O)NCC2(CCOCc3ccccc3)CC2)cc1 ZINC000187297016 1431686123 /nfs/dbraw/zinc/68/61/23/1431686123.db2.gz RHQRBYNPXMZWBJ-UHFFFAOYSA-N 0 0 377.444 3.000 20 30 GGEDRN N#Cc1cccc(NC(=O)C(=O)NCC2(CCOCc3ccccc3)CC2)c1 ZINC000187297118 1431686248 /nfs/dbraw/zinc/68/62/48/1431686248.db2.gz HPGHXMGMCQBCMU-UHFFFAOYSA-N 0 0 377.444 3.000 20 30 GGEDRN CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000187298792 1431686704 /nfs/dbraw/zinc/68/67/04/1431686704.db2.gz HNKIMJGUBSOKDM-UHFFFAOYSA-N 0 0 376.522 3.460 20 30 GGEDRN N#Cc1c(F)cccc1C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000187301450 1431687494 /nfs/dbraw/zinc/68/74/94/1431687494.db2.gz CHRRHZCQESZCGS-UHFFFAOYSA-N 0 0 389.789 3.088 20 30 GGEDRN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000187302338 1431688096 /nfs/dbraw/zinc/68/80/96/1431688096.db2.gz ILGDVPMPUFSFOE-RBUKOAKNSA-N 0 0 395.434 3.136 20 30 GGEDRN N#Cc1ccc(CSCC(=O)NC2CCC(O)(c3cccnc3)CC2)cc1 ZINC000187301831 1431688184 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CCC(C)(C)N(CCC#N)C(=O)CCCn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000187510741 1431752545 /nfs/dbraw/zinc/75/25/45/1431752545.db2.gz AGGXQDNKMUBUNY-UHFFFAOYSA-N 0 0 388.424 3.214 20 30 GGEDRN COc1ccc(Cn2ccc(N[C@H](C)C(=O)Nc3cccc(C#N)c3)n2)cc1 ZINC000187514083 1431753327 /nfs/dbraw/zinc/75/33/27/1431753327.db2.gz ZNGGNQWOLWTMQT-OAHLLOKOSA-N 0 0 375.432 3.251 20 30 GGEDRN CCC(C)(C)N(CCC#N)C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C ZINC000187517081 1431754053 /nfs/dbraw/zinc/75/40/53/1431754053.db2.gz NMTXIRDDAXVQEK-UHFFFAOYSA-N 0 0 382.512 3.369 20 30 GGEDRN COc1ccc(Cn2ccc(N[C@H](C)C(=O)Nc3ccccc3C#N)n2)cc1 ZINC000187521224 1431755394 /nfs/dbraw/zinc/75/53/94/1431755394.db2.gz XSGNYHLPTWFTJP-OAHLLOKOSA-N 0 0 375.432 3.251 20 30 GGEDRN C[C@@H]1CCC[C@H]1CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N ZINC000187523549 1431755899 /nfs/dbraw/zinc/75/58/99/1431755899.db2.gz ORPWCDPCCWKMJD-CABCVRRESA-N 0 0 383.471 3.340 20 30 GGEDRN CN(CC1(c2ccccc2)CC1)C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000187531923 1431758352 /nfs/dbraw/zinc/75/83/52/1431758352.db2.gz RSNJUDRNXZUIGH-UHFFFAOYSA-N 0 0 399.397 3.288 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)N(C)Cc1ccccc1C(F)(F)F ZINC000187551638 1431764335 /nfs/dbraw/zinc/76/43/35/1431764335.db2.gz AAWIIUABCFNFBQ-UHFFFAOYSA-N 0 0 390.361 3.315 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)NCCc1cn(C)c2cc(Cl)ccc12 ZINC000187552781 1431764966 /nfs/dbraw/zinc/76/49/66/1431764966.db2.gz CFEUGGMFHLYNHO-UHFFFAOYSA-N 0 0 394.862 3.309 20 30 GGEDRN N#CCC[C@H](NS(=O)(=O)c1cnc(-c2ccccc2)nc1)c1ccccc1 ZINC000187554798 1431765504 /nfs/dbraw/zinc/76/55/04/1431765504.db2.gz RPZWCXHTLFEMRT-IBGZPJMESA-N 0 0 378.457 3.467 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)NCc1ccccc1OC1CCCC1 ZINC000187563070 1431768463 /nfs/dbraw/zinc/76/84/63/1431768463.db2.gz JPEDIUJMFUSXAU-UHFFFAOYSA-N 0 0 392.455 3.275 20 30 GGEDRN Cc1ccc(SC[C@@H](C)NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 ZINC000187576105 1431771233 /nfs/dbraw/zinc/77/12/33/1431771233.db2.gz MJMMRUCLAHBSNO-CQSZACIVSA-N 0 0 383.517 3.401 20 30 GGEDRN CC[C@@]1(CO)CCCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000187587284 1431773856 /nfs/dbraw/zinc/77/38/56/1431773856.db2.gz NGDFEKIZVUEVGI-HXUWFJFHSA-N 0 0 377.916 3.380 20 30 GGEDRN N#Cc1cccc(NC(=O)C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000187589457 1431774259 /nfs/dbraw/zinc/77/42/59/1431774259.db2.gz NHNNGEITAVCLBV-UHFFFAOYSA-N 0 0 387.361 3.364 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000187590050 1431774291 /nfs/dbraw/zinc/77/42/91/1431774291.db2.gz UKPYTHVNHGRGSP-UHFFFAOYSA-N 0 0 387.361 3.364 20 30 GGEDRN COC(=O)[C@]1(C)CCCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000187625507 1431781418 /nfs/dbraw/zinc/78/14/18/1431781418.db2.gz XFAQEYMEYILLPY-QFIPXVFZSA-N 0 0 378.428 3.305 20 30 GGEDRN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000187676187 1431797797 /nfs/dbraw/zinc/79/77/97/1431797797.db2.gz SXYXZYXRKUEJRJ-BEFAXECRSA-N 0 0 387.480 3.201 20 30 GGEDRN COC[C@@H](C)n1ccc(N[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 ZINC000187686382 1431800182 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GGEDRN N#CCC[C@H](NC(=O)NCCN1CCc2ccccc2C1=O)c1ccccc1 ZINC000188371887 1431878280 /nfs/dbraw/zinc/87/82/80/1431878280.db2.gz JTGDSCZYFKXYDP-FQEVSTJZSA-N 0 0 376.460 3.029 20 30 GGEDRN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1OC(F)F ZINC000188389104 1431880047 /nfs/dbraw/zinc/88/00/47/1431880047.db2.gz PKLCCBWKOFGEGF-UHFFFAOYSA-N 0 0 376.359 3.465 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)NCCc2cccnc2)ccc1Oc1ccccc1 ZINC000188403710 1431881471 /nfs/dbraw/zinc/88/14/71/1431881471.db2.gz YGNQYLKCLWGAOO-UHFFFAOYSA-N 0 0 386.411 3.043 20 30 GGEDRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1cccc(F)c1C#N ZINC000188422455 1431883124 /nfs/dbraw/zinc/88/31/24/1431883124.db2.gz ABZXWKYMFFOFBK-UHFFFAOYSA-N 0 0 375.787 3.118 20 30 GGEDRN C=CC[C@@H](C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1ccccc1 ZINC000188429093 1431883556 /nfs/dbraw/zinc/88/35/56/1431883556.db2.gz WKXOTADCYASMKH-NHCUHLMSSA-N 0 0 394.471 3.285 20 30 GGEDRN C=CC[C@@H](C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1ccccc1 ZINC000188429070 1431883566 /nfs/dbraw/zinc/88/35/66/1431883566.db2.gz WKXOTADCYASMKH-RTWAWAEBSA-N 0 0 394.471 3.285 20 30 GGEDRN N#Cc1cccc(OCCCCC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000188448870 1431884889 /nfs/dbraw/zinc/88/48/89/1431884889.db2.gz DMURLLIWBMAZKU-UHFFFAOYSA-N 0 0 395.415 3.305 20 30 GGEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)c1 ZINC000188460782 1431886027 /nfs/dbraw/zinc/88/60/27/1431886027.db2.gz HILGVCVBNKORPB-MRXNPFEDSA-N 0 0 398.818 3.252 20 30 GGEDRN CC(C)(NS(=O)(=O)c1ccc(C#N)nc1)c1ccc(OC(F)(F)F)cc1 ZINC000188463378 1431886174 /nfs/dbraw/zinc/88/61/74/1431886174.db2.gz XBUCQHXOAGYYKJ-UHFFFAOYSA-N 0 0 385.367 3.065 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)cc1Cl ZINC000188465638 1431886526 /nfs/dbraw/zinc/88/65/26/1431886526.db2.gz RJJOOKCJAZEBPX-QGZVFWFLSA-N 0 0 398.818 3.252 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)cc1Cl ZINC000188465611 1431886592 /nfs/dbraw/zinc/88/65/92/1431886592.db2.gz RJJOOKCJAZEBPX-KRWDZBQOSA-N 0 0 398.818 3.252 20 30 GGEDRN CCc1ccc([C@H]2CN(C(=O)NCc3ccc(OCC#N)cc3)CCO2)cc1 ZINC000188481946 1431887860 /nfs/dbraw/zinc/88/78/60/1431887860.db2.gz IINUXIQHUMVNMY-OAQYLSRUSA-N 0 0 379.460 3.434 20 30 GGEDRN N#Cc1c(F)cccc1C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000188485502 1431888255 /nfs/dbraw/zinc/88/82/55/1431888255.db2.gz YTTOODIHOHHEMI-OAHLLOKOSA-N 0 0 377.419 3.454 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000188485653 1431888330 /nfs/dbraw/zinc/88/83/30/1431888330.db2.gz SDZQJCSOCJCVDA-JOCHJYFZSA-N 0 0 396.491 3.248 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000188488859 1431888571 /nfs/dbraw/zinc/88/85/71/1431888571.db2.gz RADSGBWBLVUOFA-KRWDZBQOSA-N 0 0 392.377 3.163 20 30 GGEDRN COC[C@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@@H](C)O1 ZINC000188496825 1431889303 /nfs/dbraw/zinc/88/93/03/1431889303.db2.gz OQAKFLKSBZWBDI-IIBYNOLFSA-N 0 0 380.444 3.013 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(-c3ccc(C)c(C)c3)n[nH]2)c1 ZINC000188500590 1431889498 /nfs/dbraw/zinc/88/94/98/1431889498.db2.gz DIZKXXWTIFNOTA-UHFFFAOYSA-N 0 0 386.455 3.386 20 30 GGEDRN COC(=O)COc1cccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000188525978 1431892130 /nfs/dbraw/zinc/89/21/30/1431892130.db2.gz SEKQJBHEGYFDKE-UHFFFAOYSA-N 0 0 377.318 3.247 20 30 GGEDRN C=CCC[C@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccccc1 ZINC000188531234 1431892398 /nfs/dbraw/zinc/89/23/98/1431892398.db2.gz JODGWZOMUDODRT-MJGOQNOKSA-N 0 0 375.476 3.135 20 30 GGEDRN C=CCC[C@H](C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccccc1 ZINC000188531255 1431892521 /nfs/dbraw/zinc/89/25/21/1431892521.db2.gz JODGWZOMUDODRT-HKUYNNGSSA-N 0 0 375.476 3.135 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 ZINC000188538421 1431893356 /nfs/dbraw/zinc/89/33/56/1431893356.db2.gz BYYPEAPLSQRPQZ-UHFFFAOYSA-N 0 0 378.480 3.442 20 30 GGEDRN CCn1cc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cn1 ZINC000188555746 1431894837 /nfs/dbraw/zinc/89/48/37/1431894837.db2.gz MKPMGQKNTGMJQL-UHFFFAOYSA-N 0 0 375.388 3.144 20 30 GGEDRN C[C@@H](c1nnnn1C1CCCCC1)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000188560484 1431895242 /nfs/dbraw/zinc/89/52/42/1431895242.db2.gz FQCWMIGDMCDEQX-HNNXBMFYSA-N 0 0 383.475 3.072 20 30 GGEDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CON=C(N)Cn1cnc2ccccc21 ZINC000188560670 1431895258 /nfs/dbraw/zinc/89/52/58/1431895258.db2.gz HSDLPXROGZWHJI-UHFFFAOYSA-N 0 0 383.408 3.221 20 30 GGEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000188560915 1431895278 /nfs/dbraw/zinc/89/52/78/1431895278.db2.gz ZEHKHNPWZDZJSM-HNNXBMFYSA-N 0 0 382.464 3.016 20 30 GGEDRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C#N)c(O)c1)c1ccccc1 ZINC000188563936 1431895383 /nfs/dbraw/zinc/89/53/83/1431895383.db2.gz SVDKCDGDEUXACB-NRFANRHFSA-N 0 0 399.450 3.268 20 30 GGEDRN C[C@H]1C(=O)N(C)CCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000188562725 1431895526 /nfs/dbraw/zinc/89/55/26/1431895526.db2.gz JNLWJIOFEVSCPJ-ZDUSSCGKSA-N 0 0 383.835 3.307 20 30 GGEDRN C[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000188571049 1431896405 /nfs/dbraw/zinc/89/64/05/1431896405.db2.gz DKHYLYLFHNNWOB-ZDUSSCGKSA-N 0 0 383.835 3.307 20 30 GGEDRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000188587448 1431897630 /nfs/dbraw/zinc/89/76/30/1431897630.db2.gz KTMRVNPKCSPCCQ-UHFFFAOYSA-N 0 0 377.444 3.218 20 30 GGEDRN CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000188588949 1431897959 /nfs/dbraw/zinc/89/79/59/1431897959.db2.gz NRJKGGOGHBBSLF-UHFFFAOYSA-N 0 0 379.441 3.357 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000188598211 1431898925 /nfs/dbraw/zinc/89/89/25/1431898925.db2.gz ABABDHLDSZRDDI-SFHVURJKSA-N 0 0 392.459 3.188 20 30 GGEDRN C=CC[C@@H](C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1)c1ccccc1 ZINC000188602821 1431899216 /nfs/dbraw/zinc/89/92/16/1431899216.db2.gz LVDMDFKGRHEJQJ-LJQANCHMSA-N 0 0 388.471 3.207 20 30 GGEDRN C[C@@H]1C(=O)N(C)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000188608449 1431899656 /nfs/dbraw/zinc/89/96/56/1431899656.db2.gz XJNXAWVSWGZLCZ-MRXNPFEDSA-N 0 0 392.459 3.026 20 30 GGEDRN C=CC[C@H](C(=O)NCc1cccc(OCCN2CCOCC2)c1)c1ccccc1 ZINC000188623838 1431906802 /nfs/dbraw/zinc/90/68/02/1431906802.db2.gz DCRNWTBBHQRRCO-QHCPKHFHSA-N 0 0 394.515 3.374 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)NCCN1CCc2ccccc2C1=O ZINC000188641487 1431913971 /nfs/dbraw/zinc/91/39/71/1431913971.db2.gz XYWUKJRYUJJIHS-UHFFFAOYSA-N 0 0 390.487 3.178 20 30 GGEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000188650211 1431918367 /nfs/dbraw/zinc/91/83/67/1431918367.db2.gz ADXSYCLLQQNTAE-QAPCUYQASA-N 0 0 386.492 3.135 20 30 GGEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CCC[C@@H]3CCO)c2)c1 ZINC000188655175 1431920760 /nfs/dbraw/zinc/92/07/60/1431920760.db2.gz YGMVWINBVNAYEF-OXQOHEQNSA-N 0 0 392.459 3.483 20 30 GGEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CCCC[C@@H]3O)c2)c1 ZINC000188655378 1431920992 /nfs/dbraw/zinc/92/09/92/1431920992.db2.gz OWBOBLQYSXIXNK-OALUTQOASA-N 0 0 378.432 3.236 20 30 GGEDRN Cc1csc([C@H]2COCCN2C(=O)CCCCOc2cccc(C#N)c2)n1 ZINC000188656820 1431922239 /nfs/dbraw/zinc/92/22/39/1431922239.db2.gz MGHPJLXITCHLBX-GOSISDBHSA-N 0 0 385.489 3.472 20 30 GGEDRN C=CCN(CCc1ccccc1)C(=O)NCCN1CCc2ccccc2C1=O ZINC000188663469 1431923876 /nfs/dbraw/zinc/92/38/76/1431923876.db2.gz QBPQONOVKCJNJX-UHFFFAOYSA-N 0 0 377.488 3.125 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000188664523 1431925283 /nfs/dbraw/zinc/92/52/83/1431925283.db2.gz WJEMXAVGIRDKNO-UHFFFAOYSA-N 0 0 390.447 3.331 20 30 GGEDRN N#CCC1(O)CN(C(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccccc2)C1 ZINC000188678322 1431930696 /nfs/dbraw/zinc/93/06/96/1431930696.db2.gz WMXYCCWDVWXYAJ-UHFFFAOYSA-N 0 0 377.419 3.394 20 30 GGEDRN C[C@@H]1Cc2ccccc2N1CCNC(=O)Nc1ncccc1OCCCC#N ZINC000188684789 1431932809 /nfs/dbraw/zinc/93/28/09/1431932809.db2.gz FYRORWSKZYSMPR-MRXNPFEDSA-N 0 0 379.464 3.337 20 30 GGEDRN C=CC[C@@H](C(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1)c1ccccc1 ZINC000188687629 1431933044 /nfs/dbraw/zinc/93/30/44/1431933044.db2.gz WLFRRHOCWWCHAY-LJQANCHMSA-N 0 0 384.501 3.303 20 30 GGEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000188730173 1431949238 /nfs/dbraw/zinc/94/92/38/1431949238.db2.gz MXIXATYFJNNIGE-HNNXBMFYSA-N 0 0 378.432 3.353 20 30 GGEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C)C(=O)[C@H]1C ZINC000188730197 1431949259 /nfs/dbraw/zinc/94/92/59/1431949259.db2.gz MXIXATYFJNNIGE-OAHLLOKOSA-N 0 0 378.432 3.353 20 30 GGEDRN Cc1cccc(CN2CCN(C(=O)Nc3ncccc3OCCCC#N)CC2)c1 ZINC000188731833 1431949950 /nfs/dbraw/zinc/94/99/50/1431949950.db2.gz IHUWMYAJAGWYOE-UHFFFAOYSA-N 0 0 393.491 3.422 20 30 GGEDRN C=CCn1c(C)nnc1S[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000188769994 1431967846 /nfs/dbraw/zinc/96/78/46/1431967846.db2.gz OQMFURPWSFSVFH-MRXNPFEDSA-N 0 0 378.448 3.334 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000188773766 1431968981 /nfs/dbraw/zinc/96/89/81/1431968981.db2.gz LCDWCQHFYDJGPM-UHFFFAOYSA-N 0 0 394.410 3.411 20 30 GGEDRN CCO[C@H]1C[C@@](CO)(NC(=O)c2ccc(COc3ccccc3C#N)o2)C1(C)C ZINC000188806123 1431982163 /nfs/dbraw/zinc/98/21/63/1431982163.db2.gz XPVYDDRTGIWPBP-UGKGYDQZSA-N 0 0 398.459 3.026 20 30 GGEDRN CC(C)(C)OC(=O)NCCc1nc(C(=O)NC2(C#N)CCCCC2)cs1 ZINC000188829609 1431992421 /nfs/dbraw/zinc/99/24/21/1431992421.db2.gz MPTBJOULGHQGMC-UHFFFAOYSA-N 0 0 378.498 3.167 20 30 GGEDRN CCOc1cccc2[nH]cc(CC(=O)N3CC(Oc4ccc(C#N)cc4)C3)c21 ZINC000188846600 1431996434 /nfs/dbraw/zinc/99/64/34/1431996434.db2.gz FFMANXYCDJMAQB-UHFFFAOYSA-N 0 0 375.428 3.271 20 30 GGEDRN CN(Cc1nccs1)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000188854675 1431999013 /nfs/dbraw/zinc/99/90/13/1431999013.db2.gz NNAODMXRWXGGCC-UHFFFAOYSA-N 0 0 392.440 3.404 20 30 GGEDRN C=CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1)c1ccccc1 ZINC000188860728 1432000294 /nfs/dbraw/zinc/00/02/94/1432000294.db2.gz LAYMPWYOFLTAID-QGZVFWFLSA-N 0 0 388.489 3.244 20 30 GGEDRN CC(C)(C)OC(=O)NCCc1nc(C(=O)Nc2ccc(F)c(C#N)c2)cs1 ZINC000188900627 1432005194 /nfs/dbraw/zinc/00/51/94/1432005194.db2.gz SDACCZIQNRKUHP-UHFFFAOYSA-N 0 0 390.440 3.473 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)NCC(C)(C)c3ccc(F)cc3)CC2)o1 ZINC000188911213 1432007310 /nfs/dbraw/zinc/00/73/10/1432007310.db2.gz PVLHVRGPXQAOET-UHFFFAOYSA-N 0 0 384.455 3.304 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(Cn2cncn2)CC1 ZINC000188913722 1432007711 /nfs/dbraw/zinc/00/77/11/1432007711.db2.gz LGGDBVDXEQJCMJ-OAHLLOKOSA-N 0 0 384.509 3.474 20 30 GGEDRN CCCN(CCc1ccccn1)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000188933984 1432011778 /nfs/dbraw/zinc/01/17/78/1432011778.db2.gz YZUXNXQPFFSBLT-UHFFFAOYSA-N 0 0 378.476 3.303 20 30 GGEDRN C#CCCCCNC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000188935372 1432012245 /nfs/dbraw/zinc/01/22/45/1432012245.db2.gz GMFXDMJVJLZRQC-INIZCTEOSA-N 0 0 392.883 3.146 20 30 GGEDRN CCN1C(=O)N[C@H](c2cc(C#N)n(C)c2)C(C(=O)Nc2ccc(F)cc2)=C1C ZINC000188943625 1432013632 /nfs/dbraw/zinc/01/36/32/1432013632.db2.gz SSKZHYOFKONTBG-GOSISDBHSA-N 0 0 381.411 3.035 20 30 GGEDRN COc1ccc(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c(OC(C)C)c1 ZINC000188954756 1432015586 /nfs/dbraw/zinc/01/55/86/1432015586.db2.gz UAKVCYVTVIHIBN-UHFFFAOYSA-N 0 0 391.431 3.246 20 30 GGEDRN N#Cc1ccc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[O-] ZINC000188952752 1432015684 /nfs/dbraw/zinc/01/56/84/1432015684.db2.gz MVWIWDMSSRVRIF-LJQANCHMSA-N 0 0 387.443 3.160 20 30 GGEDRN COc1ccc(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c(OC(F)F)c1 ZINC000188954529 1432015794 /nfs/dbraw/zinc/01/57/94/1432015794.db2.gz AFTFBSQCSVIZCM-UHFFFAOYSA-N 0 0 399.357 3.060 20 30 GGEDRN COc1cc(Cl)ccc1CNC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000188955954 1432016238 /nfs/dbraw/zinc/01/62/38/1432016238.db2.gz QWFLVARWVSCMQY-UHFFFAOYSA-N 0 0 388.855 3.050 20 30 GGEDRN CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)c1ccc(C#N)c(O)c1 ZINC000188960408 1432017031 /nfs/dbraw/zinc/01/70/31/1432017031.db2.gz KLGAYGLBFGKQJV-UHFFFAOYSA-N 0 0 379.338 3.265 20 30 GGEDRN CN(Cc1ccc([S@](C)=O)cc1)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000188964851 1432017805 /nfs/dbraw/zinc/01/78/05/1432017805.db2.gz VBPPKXURJNWCID-SANMLTNESA-N 0 0 379.403 3.453 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)Cc3ccc(C)cc3C)CC2)o1 ZINC000188965016 1432018344 /nfs/dbraw/zinc/01/83/44/1432018344.db2.gz LOOHOFWLOOEWNF-INIZCTEOSA-N 0 0 380.492 3.435 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@@H]3Cc3ccccc3)CC2)o1 ZINC000188968775 1432018795 /nfs/dbraw/zinc/01/87/95/1432018795.db2.gz HQJOLYQBBKJUJE-LJQANCHMSA-N 0 0 378.476 3.305 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccnn2Cc2ccc(C)o2)c1 ZINC000188981904 1432021421 /nfs/dbraw/zinc/02/14/21/1432021421.db2.gz ZJDWIJCNOALABG-UHFFFAOYSA-N 0 0 394.431 3.365 20 30 GGEDRN C=CCC[C@@H](C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1)c1ccccc1 ZINC000189004383 1432025330 /nfs/dbraw/zinc/02/53/30/1432025330.db2.gz DRYIUVCHMGFHRO-JOCHJYFZSA-N 0 0 391.515 3.180 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)cc1Cl ZINC000189004969 1432025919 /nfs/dbraw/zinc/02/59/19/1432025919.db2.gz ZHTAWSJVWTYCBO-UHFFFAOYSA-N 0 0 389.843 3.353 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000189007800 1432025980 /nfs/dbraw/zinc/02/59/80/1432025980.db2.gz GPEDFQHYFWDMOG-HNNXBMFYSA-N 0 0 393.365 3.325 20 30 GGEDRN Cc1cc(NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)ccc1N(C)C ZINC000189022712 1432028573 /nfs/dbraw/zinc/02/85/73/1432028573.db2.gz OPFJXGAMHUSKDA-UHFFFAOYSA-N 0 0 380.448 3.297 20 30 GGEDRN N#Cc1ccc(N2CCN(CCOCC(F)(F)C(F)(F)F)CC2)c(F)c1 ZINC000189022302 1432028697 /nfs/dbraw/zinc/02/86/97/1432028697.db2.gz HEVRJQBDEMIXBX-UHFFFAOYSA-N 0 0 381.320 3.034 20 30 GGEDRN CN(Cc1cccnc1)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000189047462 1432034262 /nfs/dbraw/zinc/03/42/62/1432034262.db2.gz BFLBHHQOIBGSPX-UHFFFAOYSA-N 0 0 386.411 3.343 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)NCc2ccc(Br)o2)cc1Cl ZINC000189055746 1432035847 /nfs/dbraw/zinc/03/58/47/1432035847.db2.gz AMCVAXQTSXGIRF-UHFFFAOYSA-N 0 0 375.631 3.046 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)CC2)o1 ZINC000189055850 1432035853 /nfs/dbraw/zinc/03/58/53/1432035853.db2.gz IGLVKSTUMWSLMV-WMZOPIPTSA-N 0 0 388.512 3.029 20 30 GGEDRN Cc1oc2ccc(NC(=O)C(=O)N(CCC#N)Cc3cccnc3)cc2c1C ZINC000189079826 1432040949 /nfs/dbraw/zinc/04/09/49/1432040949.db2.gz UXTADHLKGHPHQR-UHFFFAOYSA-N 0 0 376.416 3.326 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3CCc4c(Cl)cccc4C3)CC2)o1 ZINC000189084522 1432042038 /nfs/dbraw/zinc/04/20/38/1432042038.db2.gz DETALMKVLCPJDX-UHFFFAOYSA-N 0 0 384.867 3.309 20 30 GGEDRN C=CCn1c(SCCOCC(F)(F)C(F)(F)F)nnc1-c1cnccn1 ZINC000189090351 1432043174 /nfs/dbraw/zinc/04/31/74/1432043174.db2.gz LRFXUPSFHITPMV-UHFFFAOYSA-N 0 0 395.357 3.227 20 30 GGEDRN CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000189095894 1432044148 /nfs/dbraw/zinc/04/41/48/1432044148.db2.gz QRZIKDVDTFDHAH-OAQYLSRUSA-N 0 0 391.471 3.124 20 30 GGEDRN C=CC[C@H](C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1 ZINC000189107332 1432046206 /nfs/dbraw/zinc/04/62/06/1432046206.db2.gz PRUFVFLMNCHYRT-FQEVSTJZSA-N 0 0 384.501 3.203 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H](Cc4ccccc4)C3)CC2)o1 ZINC000189108726 1432046722 /nfs/dbraw/zinc/04/67/22/1432046722.db2.gz ZFFCMXAEVDEUOI-SFHVURJKSA-N 0 0 378.476 3.162 20 30 GGEDRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N(CC)C[C@H](C)C#N)c1 ZINC000189110620 1432046724 /nfs/dbraw/zinc/04/67/24/1432046724.db2.gz FERYWKRLCUDKDO-GFCCVEGCSA-N 0 0 378.860 3.025 20 30 GGEDRN N#C[C@@H](c1ccccc1)N1CCN(Cc2noc(-c3ccc(F)cc3F)n2)CC1 ZINC000189112678 1432047197 /nfs/dbraw/zinc/04/71/97/1432047197.db2.gz GHGCTTVDMLIEED-IBGZPJMESA-N 0 0 395.413 3.397 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cc(C(C)C)nn1-c1ccc(C)cc1 ZINC000189115100 1432047455 /nfs/dbraw/zinc/04/74/55/1432047455.db2.gz JGVGCMYMCMJHFF-MRXNPFEDSA-N 0 0 381.480 3.251 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 ZINC000189117756 1432048111 /nfs/dbraw/zinc/04/81/11/1432048111.db2.gz CZEXRFHGVMDEFH-QGZVFWFLSA-N 0 0 378.476 3.270 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000189121451 1432048493 /nfs/dbraw/zinc/04/84/93/1432048493.db2.gz PORZIXNSLUXDEQ-QGZVFWFLSA-N 0 0 379.460 3.350 20 30 GGEDRN C=CCNC(=O)c1ccc(NC(=O)CCOCC(F)(F)C(F)(F)F)cc1 ZINC000189119414 1432048505 /nfs/dbraw/zinc/04/85/05/1432048505.db2.gz DPQSKNVCTHFONP-UHFFFAOYSA-N 0 0 380.313 3.145 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000189127306 1432049158 /nfs/dbraw/zinc/04/91/58/1432049158.db2.gz VKSGAVHEPVOZSS-ZDUSSCGKSA-N 0 0 386.839 3.474 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc(Cl)c1Oc1cccnc1 ZINC000189128761 1432049716 /nfs/dbraw/zinc/04/97/16/1432049716.db2.gz HQBKQRXNEHGGGZ-CYBMUJFWSA-N 0 0 386.839 3.474 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000189129570 1432049851 /nfs/dbraw/zinc/04/98/51/1432049851.db2.gz BMTMIOXZOQTCHU-HNNXBMFYSA-N 0 0 377.444 3.235 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccnn1Cc1ccc(C(C)C)cc1 ZINC000189132618 1432049973 /nfs/dbraw/zinc/04/99/73/1432049973.db2.gz FCAAGGDMCNGWSU-INIZCTEOSA-N 0 0 381.480 3.001 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1c(C)cnn1[C@H]1CCCc2ccccc21 ZINC000189133280 1432050050 /nfs/dbraw/zinc/05/00/50/1432050050.db2.gz HJFXSTDLEOSXAB-BEFAXECRSA-N 0 0 393.491 3.064 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)NCCOc3ccc(C(C)C)cc3)CC2)o1 ZINC000189134637 1432050355 /nfs/dbraw/zinc/05/03/55/1432050355.db2.gz NJFCVCPLPVEHRZ-UHFFFAOYSA-N 0 0 396.491 3.390 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000189134489 1432050478 /nfs/dbraw/zinc/05/04/78/1432050478.db2.gz LMVTZOALSMANJH-HNNXBMFYSA-N 0 0 376.416 3.297 20 30 GGEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC000189140902 1432051435 /nfs/dbraw/zinc/05/14/35/1432051435.db2.gz FQWSUQLAINZSTJ-OAHLLOKOSA-N 0 0 383.423 3.351 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C ZINC000189160188 1432055297 /nfs/dbraw/zinc/05/52/97/1432055297.db2.gz AJYXHMHUFATOKW-HNNXBMFYSA-N 0 0 392.459 3.194 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000189163317 1432055892 /nfs/dbraw/zinc/05/58/92/1432055892.db2.gz KUSSNOOPTIUEOK-HNNXBMFYSA-N 0 0 390.443 3.365 20 30 GGEDRN N#Cc1c(F)cccc1C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000189166336 1432056759 /nfs/dbraw/zinc/05/67/59/1432056759.db2.gz OQLBVTNDVFIZQD-OAHLLOKOSA-N 0 0 391.324 3.251 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(Cl)cc1F ZINC000189177930 1432058760 /nfs/dbraw/zinc/05/87/60/1432058760.db2.gz XJTNOFZZHKTYMG-UHFFFAOYSA-N 0 0 389.814 3.393 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(N4CCCC4)c(F)c3)CC2)o1 ZINC000189181941 1432059297 /nfs/dbraw/zinc/05/92/97/1432059297.db2.gz WCVYTTLSPRUVMS-UHFFFAOYSA-N 0 0 397.454 3.449 20 30 GGEDRN N#CCCN(C(=O)CN1CCC([C@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000189187262 1432059931 /nfs/dbraw/zinc/05/99/31/1432059931.db2.gz JOWDPNUHLDQMTR-LJQANCHMSA-N 0 0 375.900 3.478 20 30 GGEDRN CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(F)c2C#N)cc1 ZINC000189192628 1432060889 /nfs/dbraw/zinc/06/08/89/1432060889.db2.gz ALTCIUYCZKXALM-UHFFFAOYSA-N 0 0 375.425 3.491 20 30 GGEDRN Cc1cc(-c2ncccc2NC(=O)N(CCC#N)CCN2CCOCC2)cs1 ZINC000189211636 1432063806 /nfs/dbraw/zinc/06/38/06/1432063806.db2.gz JOXKZDJJYBHBOY-UHFFFAOYSA-N 0 0 399.520 3.198 20 30 GGEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000189210634 1432063836 /nfs/dbraw/zinc/06/38/36/1432063836.db2.gz URWRXWZYFSQWGX-ZDUSSCGKSA-N 0 0 378.316 3.057 20 30 GGEDRN CC(C)(C)OC(=O)NCCc1nc(C(=O)N[C@@H](C#N)C2CCCCC2)cs1 ZINC000189213563 1432064293 /nfs/dbraw/zinc/06/42/93/1432064293.db2.gz ADKMWKARFAVORN-AWEZNQCLSA-N 0 0 392.525 3.413 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000189214370 1432064369 /nfs/dbraw/zinc/06/43/69/1432064369.db2.gz UJJCDWAPTYCSNX-IBGZPJMESA-N 0 0 382.888 3.331 20 30 GGEDRN C=CCn1c(-c2ccccc2C)nn(CN2CCCN(CC)C(=O)C2)c1=S ZINC000189213678 1432064466 /nfs/dbraw/zinc/06/44/66/1432064466.db2.gz XKEUYVYTYMQZDY-UHFFFAOYSA-N 0 0 385.537 3.087 20 30 GGEDRN CCS[C@H]1CCC[C@H](NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000189215209 1432064679 /nfs/dbraw/zinc/06/46/79/1432064679.db2.gz ANRUXVUWWCYDSF-HOTGVXAUSA-N 0 0 376.526 3.252 20 30 GGEDRN C=CCn1c(-c2cccc(C)c2)nn(CN2CCCN(CC)C(=O)C2)c1=S ZINC000189220456 1432065640 /nfs/dbraw/zinc/06/56/40/1432065640.db2.gz WNULOVIILAHGIZ-UHFFFAOYSA-N 0 0 385.537 3.087 20 30 GGEDRN N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1O ZINC000189223487 1432066123 /nfs/dbraw/zinc/06/61/23/1432066123.db2.gz FQCIUJHAVRGKPC-CQSZACIVSA-N 0 0 375.350 3.291 20 30 GGEDRN CCO[C@H]1C[C@@H](NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1(CC)CC ZINC000189222728 1432066206 /nfs/dbraw/zinc/06/62/06/1432066206.db2.gz AXXJYGKCNVSQEN-MSOLQXFVSA-N 0 0 388.512 3.171 20 30 GGEDRN CCS[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000189227321 1432066834 /nfs/dbraw/zinc/06/68/34/1432066834.db2.gz UFMXNUWXUBBELH-WBVHZDCISA-N 0 0 376.526 3.252 20 30 GGEDRN C=CC[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1 ZINC000189228492 1432067479 /nfs/dbraw/zinc/06/74/79/1432067479.db2.gz AXVGBJRGGDPMDR-LJQANCHMSA-N 0 0 384.457 3.353 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)c1 ZINC000189227954 1432067588 /nfs/dbraw/zinc/06/75/88/1432067588.db2.gz YRGWEDBTUFUFKC-UHFFFAOYSA-N 0 0 391.471 3.001 20 30 GGEDRN C=CCCN(OCc1ccccc1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000189231695 1432067997 /nfs/dbraw/zinc/06/79/97/1432067997.db2.gz DXKWCHXUCBZCSW-UHFFFAOYSA-N 0 0 385.441 3.492 20 30 GGEDRN C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000189248850 1432071216 /nfs/dbraw/zinc/07/12/16/1432071216.db2.gz UGBUWPXGZYFEJC-UHFFFAOYSA-N 0 0 397.434 3.028 20 30 GGEDRN NC(=NOCCOCC(F)(F)C(F)F)c1cccnc1Oc1ccccc1 ZINC000189258972 1432072965 /nfs/dbraw/zinc/07/29/65/1432072965.db2.gz DPNJUFJFCPKAMK-UHFFFAOYSA-N 0 0 387.333 3.428 20 30 GGEDRN Cc1csc([C@H]2COCCN2CC(=O)Nc2ccccc2SCC#N)n1 ZINC000189265388 1432074558 /nfs/dbraw/zinc/07/45/58/1432074558.db2.gz CILUVXOXJFYYPG-OAHLLOKOSA-N 0 0 388.518 3.079 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc2nnc(C(C)C)n2c1 ZINC000189267936 1432074983 /nfs/dbraw/zinc/07/49/83/1432074983.db2.gz JRZKTLXFFRGMEQ-UHFFFAOYSA-N 0 0 379.468 3.151 20 30 GGEDRN C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000189269004 1432075213 /nfs/dbraw/zinc/07/52/13/1432075213.db2.gz PGYKUQBCPFUQOJ-CQSZACIVSA-N 0 0 382.441 3.097 20 30 GGEDRN Cc1csc([C@H]2COCCN2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 ZINC000189273580 1432076213 /nfs/dbraw/zinc/07/62/13/1432076213.db2.gz WBCCJHQOBGKDGN-LJQANCHMSA-N 0 0 398.532 3.389 20 30 GGEDRN CCOc1cccc([C@@H](C)NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)c1 ZINC000189276836 1432076896 /nfs/dbraw/zinc/07/68/96/1432076896.db2.gz DKTTXRJTQUUGJQ-CQSZACIVSA-N 0 0 382.464 3.347 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)NCC(C)(C)c3cccc(C)c3)CC2)o1 ZINC000189278824 1432077435 /nfs/dbraw/zinc/07/74/35/1432077435.db2.gz LVWLWDBIQQCAEO-UHFFFAOYSA-N 0 0 380.492 3.474 20 30 GGEDRN C=CCOc1ccc(C(=O)NCC2CCN(CC(F)(F)F)CC2)cc1OC ZINC000189301483 1432081558 /nfs/dbraw/zinc/08/15/58/1432081558.db2.gz DULUCJIPZQUUJO-UHFFFAOYSA-N 0 0 386.414 3.264 20 30 GGEDRN C=CCc1cc(CNc2ccc3c(c2)CCN3C(=O)COC)cc(OC)c1O ZINC000189303549 1432081894 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GGEDRN Cc1cccc(C[C@@H](CO)NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000189746482 1432222574 /nfs/dbraw/zinc/22/25/74/1432222574.db2.gz SPCXUGPPLIBRGK-IBGZPJMESA-N 0 0 390.405 3.268 20 30 GGEDRN Cc1ncsc1CN(C)C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000189756563 1432224892 /nfs/dbraw/zinc/22/48/92/1432224892.db2.gz DRJGFVBIVNOKNE-UHFFFAOYSA-N 0 0 389.480 3.448 20 30 GGEDRN C#Cc1cccc(NC(=O)C(=O)N(Cc2ccccc2)CC2CCOCC2)c1 ZINC000189759861 1432226918 /nfs/dbraw/zinc/22/69/18/1432226918.db2.gz OKLUIHTWEHTPBI-UHFFFAOYSA-N 0 0 376.456 3.062 20 30 GGEDRN COC(=O)[C@](C)(CNC(=O)N[C@H](CCC#N)c1ccccc1)c1ccccc1 ZINC000189780450 1432233101 /nfs/dbraw/zinc/23/31/01/1432233101.db2.gz UYFHBQAQXSHTAR-DENIHFKCSA-N 0 0 379.460 3.462 20 30 GGEDRN CCN(C[C@H](O)C(F)(F)F)C(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000189817197 1432243738 /nfs/dbraw/zinc/24/37/38/1432243738.db2.gz ODDTZWXJLAIXGV-JTQLQIEISA-N 0 0 393.255 3.275 20 30 GGEDRN C[C@@H](Sc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)c1cccc(C#N)c1 ZINC000189823564 1432245386 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RRQVTRFPJODZGW-OAQYLSRUSA-N 0 0 388.471 3.057 20 30 GGEDRN CC(C)C[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190259446 1432350180 /nfs/dbraw/zinc/35/01/80/1432350180.db2.gz RIDOEPFPZQTBQI-VQTJNVASSA-N 0 0 382.508 3.269 20 30 GGEDRN Cc1cccc(C(C)(C)NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000190260974 1432350262 /nfs/dbraw/zinc/35/02/62/1432350262.db2.gz SGAFBGKDSDHJJO-HXUWFJFHSA-N 0 0 390.487 3.202 20 30 GGEDRN CC(C)[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000190267803 1432351078 /nfs/dbraw/zinc/35/10/78/1432351078.db2.gz KKKUBQBKHNQXTI-PMACEKPBSA-N 0 0 382.508 3.127 20 30 GGEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)N(Cc3ccccc3)C3CC3)C2=O)cc1 ZINC000190275066 1432351940 /nfs/dbraw/zinc/35/19/40/1432351940.db2.gz YEFPISKZEFKKSB-NRFANRHFSA-N 0 0 388.471 3.033 20 30 GGEDRN COCCOCCOCCN(C)c1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000190274223 1432352057 /nfs/dbraw/zinc/35/20/57/1432352057.db2.gz ZRSBHQDZLPAXTF-UHFFFAOYSA-N 0 0 381.835 3.015 20 30 GGEDRN CC(=O)Nc1ccc(S(=O)(=O)CCCOc2ccc(C#N)c(Cl)c2)cc1 ZINC000190277576 1432352308 /nfs/dbraw/zinc/35/23/08/1432352308.db2.gz OQBDPEKDJIPYFI-UHFFFAOYSA-N 0 0 392.864 3.413 20 30 GGEDRN C[C@@H](c1ccco1)N(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 ZINC000190288351 1432353919 /nfs/dbraw/zinc/35/39/19/1432353919.db2.gz CABXWJMMGJHOMA-KXBFYZLASA-N 0 0 392.459 3.187 20 30 GGEDRN CCOC(=O)c1ccc(C)c(S(=O)(=O)N(CCC#N)c2ccc(F)cc2)c1 ZINC000190291183 1432354547 /nfs/dbraw/zinc/35/45/47/1432354547.db2.gz RRGFIJFOSGSPBM-UHFFFAOYSA-N 0 0 390.436 3.420 20 30 GGEDRN CCc1ccc([C@@H]2CN([C@@H]3CCN(c4sccc4C#N)C3=O)CCO2)cc1 ZINC000190299994 1432355792 /nfs/dbraw/zinc/35/57/92/1432355792.db2.gz YDBAOBXYCFIGJW-MOPGFXCFSA-N 0 0 381.501 3.361 20 30 GGEDRN Cc1oc2ccc(NC(=O)C(=O)N(CCC#N)Cc3ccccn3)cc2c1C ZINC000190303628 1432356698 /nfs/dbraw/zinc/35/66/98/1432356698.db2.gz LSRWFNQIMFVCHZ-UHFFFAOYSA-N 0 0 376.416 3.326 20 30 GGEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000190327991 1432362428 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GGEDRN Cc1ccc([C@H]2CSCCN2C(=O)C(=O)Nc2cccc(C#N)c2C)cc1 ZINC000190400840 1432374126 /nfs/dbraw/zinc/37/41/26/1432374126.db2.gz SMMFZUZNZXJCBM-LJQANCHMSA-N 0 0 379.485 3.430 20 30 GGEDRN Cc1ccc(CNC(=O)N(C)Cc2ccc(C#N)cc2)c(-n2cc(Cl)cn2)n1 ZINC000190407381 1432375597 /nfs/dbraw/zinc/37/55/97/1432375597.db2.gz AEUHTRYQLPMJRK-UHFFFAOYSA-N 0 0 394.866 3.442 20 30 GGEDRN N#Cc1ccc(-c2nnc(CNc3ccc(Cc4nnc5n4CCC5)cc3)o2)cc1 ZINC000190408150 1432375610 /nfs/dbraw/zinc/37/56/10/1432375610.db2.gz VYQULFGYSZNTEP-UHFFFAOYSA-N 0 0 397.442 3.349 20 30 GGEDRN CCc1ccc([C@@H]2CN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CCO2)cc1 ZINC000190409389 1432376029 /nfs/dbraw/zinc/37/60/29/1432376029.db2.gz VVXZBXAJJZYPDK-SFHVURJKSA-N 0 0 392.427 3.161 20 30 GGEDRN Cc1ccc(CNC(=O)N(C)Cc2cccc(C#N)c2)c(-n2cc(Cl)cn2)n1 ZINC000190423086 1432378901 /nfs/dbraw/zinc/37/89/01/1432378901.db2.gz NKAHOSSWEZOZRA-UHFFFAOYSA-N 0 0 394.866 3.442 20 30 GGEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2n[nH]c3c2CCCCC3)ccc1OC ZINC000190426738 1432379833 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C[C@H](O)[C@@](C)(CNS(=O)(=O)c1cc(C#N)ccc1Cl)Cc1ccccc1 ZINC000190551689 1432405017 /nfs/dbraw/zinc/40/50/17/1432405017.db2.gz RBXZKAKOOHOPCE-IFXJQAMLSA-N 0 0 392.908 3.120 20 30 GGEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000190572129 1432410015 /nfs/dbraw/zinc/41/00/15/1432410015.db2.gz HWDGFFWTPFMKAU-UHFFFAOYSA-N 0 0 386.373 3.042 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)c1 ZINC000190601235 1432416930 /nfs/dbraw/zinc/41/69/30/1432416930.db2.gz DDQQNTXYSIAVHH-FQEVSTJZSA-N 0 0 393.487 3.317 20 30 GGEDRN Cc1ccccc1C[C@@H](CO)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000190604326 1432418063 /nfs/dbraw/zinc/41/80/63/1432418063.db2.gz NEPPXHYCWFKZNY-IBGZPJMESA-N 0 0 390.439 3.372 20 30 GGEDRN C=CCNc1ncc(C(=O)NCc2ccc(C)nc2-n2cc(Cl)cn2)s1 ZINC000190612979 1432420362 /nfs/dbraw/zinc/42/03/62/1432420362.db2.gz RUSRUGFCHIXHCP-UHFFFAOYSA-N 0 0 388.884 3.214 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCc2ccccc2OC(F)F)c1 ZINC000190630928 1432425974 /nfs/dbraw/zinc/42/59/74/1432425974.db2.gz KFBQGUMFBLBPQP-UHFFFAOYSA-N 0 0 393.777 3.110 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)NCCc2ccccc2OC(F)F)ccc1Cl ZINC000190632705 1432426749 /nfs/dbraw/zinc/42/67/49/1432426749.db2.gz KRYWXGCOJOVAHT-UHFFFAOYSA-N 0 0 393.777 3.110 20 30 GGEDRN N#Cc1cccc(NC(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000190638174 1432428195 /nfs/dbraw/zinc/42/81/95/1432428195.db2.gz JUJLWIPPTKFINP-QGZVFWFLSA-N 0 0 385.876 3.467 20 30 GGEDRN CC[C@H]1CCCCCN1C(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 ZINC000190650797 1432431439 /nfs/dbraw/zinc/43/14/39/1432431439.db2.gz HJGQOVBZBIWTTA-SFHVURJKSA-N 0 0 393.491 3.481 20 30 GGEDRN CC1(C)CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC[C@H]1C(F)(F)F ZINC000190657971 1432433315 /nfs/dbraw/zinc/43/33/15/1432433315.db2.gz LCUWWUSKEXQXET-OAHLLOKOSA-N 0 0 391.397 3.377 20 30 GGEDRN CC(C)=CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 ZINC000190668729 1432437594 /nfs/dbraw/zinc/43/75/94/1432437594.db2.gz SIXCKDVQKSMMLM-PYCFMQQDSA-N 0 0 392.525 3.367 20 30 GGEDRN Cc1cc(NC(=O)C(=O)Nc2ccc(C#N)cc2)ccc1OCC(F)(F)F ZINC000190691089 1432443567 /nfs/dbraw/zinc/44/35/67/1432443567.db2.gz ITKYTXAJANHAQM-UHFFFAOYSA-N 0 0 377.322 3.385 20 30 GGEDRN CC(C)c1cccc2c1CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 ZINC000190699723 1432446020 /nfs/dbraw/zinc/44/60/20/1432446020.db2.gz DHCAEOCZHZJVGN-UHFFFAOYSA-N 0 0 396.512 3.181 20 30 GGEDRN CCc1ccc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccn(CCC#N)n2)o1 ZINC000190698715 1432446326 /nfs/dbraw/zinc/44/63/26/1432446326.db2.gz ALRGVTUJLDZPGP-MRXNPFEDSA-N 0 0 383.452 3.035 20 30 GGEDRN C=CCN(CCOC)C(=O)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000190701922 1432447702 /nfs/dbraw/zinc/44/77/02/1432447702.db2.gz QHYPLTDNXFCHCQ-UHFFFAOYSA-N 0 0 386.423 3.004 20 30 GGEDRN COc1cc(CNC(=O)c2ccc(C#N)c(O)c2)ccc1OCC(F)(F)F ZINC000190712019 1432451371 /nfs/dbraw/zinc/45/13/71/1432451371.db2.gz BGOZCPOACGFMSE-UHFFFAOYSA-N 0 0 380.322 3.144 20 30 GGEDRN CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000190713454 1432452164 /nfs/dbraw/zinc/45/21/64/1432452164.db2.gz VMJTUSGRHXABSJ-OAHLLOKOSA-N 0 0 392.887 3.139 20 30 GGEDRN N#CCCn1ccc(NC(=O)C(=O)N(Cc2ccccc2Cl)C2CCCC2)n1 ZINC000190719820 1432455119 /nfs/dbraw/zinc/45/51/19/1432455119.db2.gz BOWHYLSQNQPQAC-UHFFFAOYSA-N 0 0 399.882 3.360 20 30 GGEDRN C=CCN(CCOC)C(=O)C(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC000190739525 1432464049 /nfs/dbraw/zinc/46/40/49/1432464049.db2.gz JCAUXGHMCIPOIR-UHFFFAOYSA-N 0 0 386.423 3.004 20 30 GGEDRN CCCCOc1ccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1Cl ZINC000190756900 1432467971 /nfs/dbraw/zinc/46/79/71/1432467971.db2.gz QWTAZLQMTXSODL-UHFFFAOYSA-N 0 0 399.878 3.437 20 30 GGEDRN C=CCN(CCOC)C(=O)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000190771783 1432473363 /nfs/dbraw/zinc/47/33/63/1432473363.db2.gz FCJKLHREMYFIKF-UHFFFAOYSA-N 0 0 393.443 3.018 20 30 GGEDRN C[C@@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)C(=O)Nc1ccccc1C#N ZINC000190779512 1432475822 /nfs/dbraw/zinc/47/58/22/1432475822.db2.gz HCJGZZUKUKUUGP-OAHLLOKOSA-N 0 0 386.459 3.126 20 30 GGEDRN COC(=O)[C@@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)c1cccc(C#N)c1 ZINC000190781209 1432476787 /nfs/dbraw/zinc/47/67/87/1432476787.db2.gz IZLCVDACUFHNTO-NRFANRHFSA-N 0 0 387.443 3.013 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1CCOC ZINC000190790077 1432480563 /nfs/dbraw/zinc/48/05/63/1432480563.db2.gz ZTNUYUAMTKBBCS-UHFFFAOYSA-N 0 0 379.460 3.124 20 30 GGEDRN Cc1cc(-n2cccn2)ccc1NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000190791115 1432481208 /nfs/dbraw/zinc/48/12/08/1432481208.db2.gz PBJUJNPFFHMMQO-UHFFFAOYSA-N 0 0 386.459 3.407 20 30 GGEDRN CCO[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1(C)C ZINC000190792791 1432481731 /nfs/dbraw/zinc/48/17/31/1432481731.db2.gz LIFVLQGVCKKYSY-CABCVRRESA-N 0 0 397.397 3.178 20 30 GGEDRN Cc1ccc(CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C2CC2)cc1C ZINC000190813601 1432492163 /nfs/dbraw/zinc/49/21/63/1432492163.db2.gz NBJBXUAXOWLWGB-UHFFFAOYSA-N 0 0 393.491 3.256 20 30 GGEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(N2C[C@H]3CC[C@@H]2C3)cc1 ZINC000190818487 1432493169 /nfs/dbraw/zinc/49/31/69/1432493169.db2.gz UFCSZCYXWSIXGP-FXAWDEMLSA-N 0 0 382.508 3.402 20 30 GGEDRN Cc1cc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)n[nH]1 ZINC000190874856 1432515705 /nfs/dbraw/zinc/51/57/05/1432515705.db2.gz CTKLSCNKVCVGGT-UHFFFAOYSA-N 0 0 389.415 3.054 20 30 GGEDRN CCc1ccc([C@H]2CN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)cc1 ZINC000190876282 1432516084 /nfs/dbraw/zinc/51/60/84/1432516084.db2.gz ASZSMNLSBNPBGV-LJQANCHMSA-N 0 0 397.862 3.313 20 30 GGEDRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(C#N)c(O)c1 ZINC000190879555 1432516734 /nfs/dbraw/zinc/51/67/34/1432516734.db2.gz VDNCREGNIXLNPT-UHFFFAOYSA-N 0 0 378.407 3.498 20 30 GGEDRN Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)CCC(=O)N(C)CCC#N ZINC000190886784 1432519645 /nfs/dbraw/zinc/51/96/45/1432519645.db2.gz XLCWTBBXGRHZPZ-UHFFFAOYSA-N 0 0 378.538 3.278 20 30 GGEDRN Cc1cc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)n[nH]1 ZINC000190888761 1432520150 /nfs/dbraw/zinc/52/01/50/1432520150.db2.gz OUYYXXIIHABQTQ-UHFFFAOYSA-N 0 0 397.382 3.320 20 30 GGEDRN Cc1nnnn1-c1ccc(F)c(NC(=O)CS[C@H](C)c2cccc(C#N)c2)c1 ZINC000190904425 1432524855 /nfs/dbraw/zinc/52/48/55/1432524855.db2.gz NFGGESLOTXFYED-GFCCVEGCSA-N 0 0 396.451 3.414 20 30 GGEDRN C[C@H](SCCC(=O)N1CCN(c2ccccn2)CC1)c1cccc(C#N)c1 ZINC000190911487 1432527142 /nfs/dbraw/zinc/52/71/42/1432527142.db2.gz IFVMXHWCIAOPHO-KRWDZBQOSA-N 0 0 380.517 3.486 20 30 GGEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N(C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000190916141 1432528681 /nfs/dbraw/zinc/52/86/81/1432528681.db2.gz NNIBKQJLQOTUIZ-XUJQIHCRSA-N 0 0 383.492 3.392 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)Nc1cc(CC2CCCCC2)[nH]n1 ZINC000190943021 1432534364 /nfs/dbraw/zinc/53/43/64/1432534364.db2.gz BYEORRBYIYALCQ-AWEZNQCLSA-N 0 0 395.463 3.401 20 30 GGEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N([C@H](C)[C@H](C)CC)C2CC2)cc1 ZINC000190946587 1432535409 /nfs/dbraw/zinc/53/54/09/1432535409.db2.gz SWUUTESGOIADEZ-HUUCEWRRSA-N 0 0 386.496 3.358 20 30 GGEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000190948122 1432535913 /nfs/dbraw/zinc/53/59/13/1432535913.db2.gz AHOWNPPBKNBMBT-VXKWHMMOSA-N 0 0 393.487 3.494 20 30 GGEDRN CCCc1c(C(O)=C(C#N)c2cnc3ccccc3n2)[nH]c(C)c1C(=O)OC ZINC000190952091 1432536676 /nfs/dbraw/zinc/53/66/76/1432536676.db2.gz NFTNEVJQNLGBCS-CQSZACIVSA-N 0 0 376.416 3.496 20 30 GGEDRN C=CCC1(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CCC1 ZINC000190968601 1432540284 /nfs/dbraw/zinc/54/02/84/1432540284.db2.gz BGYXDZUZSATHOQ-UHFFFAOYSA-N 0 0 376.522 3.224 20 30 GGEDRN COCCOCc1cc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)ccc1F ZINC000190975330 1432541597 /nfs/dbraw/zinc/54/15/97/1432541597.db2.gz HTYHDNZCBDOICS-MRXNPFEDSA-N 0 0 379.391 3.422 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C ZINC000190981639 1432542954 /nfs/dbraw/zinc/54/29/54/1432542954.db2.gz PISPHWNAKZPRMP-XOBRGWDASA-N 0 0 377.444 3.335 20 30 GGEDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)NCc1ccc(OCC#N)cc1 ZINC000190991268 1432544904 /nfs/dbraw/zinc/54/49/04/1432544904.db2.gz FBYNJKGKUSHRDF-UHFFFAOYSA-N 0 0 382.370 3.291 20 30 GGEDRN C#CCN(C)C(=O)c1cccc(S(=O)(=O)N(CCCC)c2ccccc2)c1 ZINC000190996908 1432546412 /nfs/dbraw/zinc/54/64/12/1432546412.db2.gz KYOODYJNMYDUBF-UHFFFAOYSA-N 0 0 384.501 3.387 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1cc([C@H]2C[C@H]2C)[nH]n1 ZINC000191012782 1432549956 /nfs/dbraw/zinc/54/99/56/1432549956.db2.gz BGHBUWMNUWOSLE-XQQFMLRXSA-N 0 0 383.477 3.362 20 30 GGEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1cc([C@@H]2C[C@H]2C)[nH]n1 ZINC000191012811 1432550050 /nfs/dbraw/zinc/55/00/50/1432550050.db2.gz BGHBUWMNUWOSLE-YNEHKIRRSA-N 0 0 383.477 3.362 20 30 GGEDRN C#CCN(C)C(=O)c1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC ZINC000191022062 1432551484 /nfs/dbraw/zinc/55/14/84/1432551484.db2.gz ZQGAYAUSXPFRNO-UHFFFAOYSA-N 0 0 375.428 3.262 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)N(C)[C@H]1CCCc2nc(CC)sc21 ZINC000191024498 1432551794 /nfs/dbraw/zinc/55/17/94/1432551794.db2.gz BPPYNDVXVGFWAA-INIZCTEOSA-N 0 0 397.500 3.192 20 30 GGEDRN COc1ccc(C#N)cc1CSCCN(Cc1ccccc1)S(C)(=O)=O ZINC000191033843 1432553960 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CCN(C[C@@H](C)C#N)C(=O)CNc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000194735433 1433222132 /nfs/dbraw/zinc/22/21/32/1433222132.db2.gz MESYWYZIBCWRPX-SOKVYYICSA-N 0 0 383.517 3.414 20 30 GGEDRN N#Cc1ccc(CC(=O)NCc2ccc(OCCOc3ccccc3)nc2)cc1 ZINC000194748440 1433224059 /nfs/dbraw/zinc/22/40/59/1433224059.db2.gz CXOMJBPYRAXXRN-UHFFFAOYSA-N 0 0 387.439 3.270 20 30 GGEDRN CCOc1ccc(C2(CNC(=O)Cc3ccc(C#N)cc3)CCOCC2)cc1 ZINC000194756654 1433225441 /nfs/dbraw/zinc/22/54/41/1433225441.db2.gz PQDBHAZCRWDEID-UHFFFAOYSA-N 0 0 378.472 3.364 20 30 GGEDRN COc1ccc(Cn2ncc(C)c2NC(=O)Cc2ccc(C#N)cc2)cc1OC ZINC000194756742 1433225664 /nfs/dbraw/zinc/22/56/64/1433225664.db2.gz QAEJPLHKNCQPGO-UHFFFAOYSA-N 0 0 390.443 3.310 20 30 GGEDRN Cc1cc(NC(=O)C(=O)NCc2ccc(C#N)cc2)ccc1Oc1ccncc1 ZINC000194775424 1433229160 /nfs/dbraw/zinc/22/91/60/1433229160.db2.gz VMYWFDHVBYZTGN-UHFFFAOYSA-N 0 0 386.411 3.309 20 30 GGEDRN CCS(=O)(=O)c1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000194789754 1433232883 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CCN(c1ccc(C#N)c(Cl)c1)S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000194826611 1433242078 /nfs/dbraw/zinc/24/20/78/1433242078.db2.gz WGHOOOBNXWWRMV-UHFFFAOYSA-N 0 0 391.880 3.129 20 30 GGEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C(=O)NC(C)C)cc1C ZINC000194832763 1433243566 /nfs/dbraw/zinc/24/35/66/1433243566.db2.gz CIMSGKYBXYBIMH-UHFFFAOYSA-N 0 0 395.507 3.432 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)NCc1ccc(OCC2CC2)nc1 ZINC000194848104 1433248085 /nfs/dbraw/zinc/24/80/85/1433248085.db2.gz ZXLWDWIJJUDWEY-UHFFFAOYSA-N 0 0 396.516 3.475 20 30 GGEDRN CCOC(=O)[C@@]1(C(C)C)CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000194868546 1433252889 /nfs/dbraw/zinc/25/28/89/1433252889.db2.gz DOVGPKITGNIULI-IBGZPJMESA-N 0 0 377.872 3.061 20 30 GGEDRN CCOC(=O)[C@]1(C(C)C)CCN(CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000194877754 1433254449 /nfs/dbraw/zinc/25/44/49/1433254449.db2.gz BGDWJSGGOOSUJC-LJQANCHMSA-N 0 0 377.510 3.086 20 30 GGEDRN COc1cc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)ccc1Cl ZINC000194881784 1433255581 /nfs/dbraw/zinc/25/55/81/1433255581.db2.gz IXKROZSRTXMQES-UHFFFAOYSA-N 0 0 383.839 3.451 20 30 GGEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCOCC2)cn1 ZINC000194885021 1433257075 /nfs/dbraw/zinc/25/70/75/1433257075.db2.gz KSRNGZQFIZEFGS-UHFFFAOYSA-N 0 0 379.464 3.232 20 30 GGEDRN C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)N(C)CC(F)(F)F ZINC000194887427 1433258055 /nfs/dbraw/zinc/25/80/55/1433258055.db2.gz KWFIEHGJJPDNKL-WPRPVWTQSA-N 0 0 379.741 3.009 20 30 GGEDRN CC(C)c1ncc(Cl)c(C(=O)N2CCCN(c3ccccc3C#N)CC2)n1 ZINC000194917486 1433264206 /nfs/dbraw/zinc/26/42/06/1433264206.db2.gz CBRVIZICWZBEMK-UHFFFAOYSA-N 0 0 383.883 3.478 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(Br)cs2)c1 ZINC000194920384 1433264695 /nfs/dbraw/zinc/26/46/95/1433264695.db2.gz GABVJKKUOWHQIV-UHFFFAOYSA-N 0 0 377.263 3.203 20 30 GGEDRN N#CCOc1ccc(CC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000194939823 1433268909 /nfs/dbraw/zinc/26/89/09/1433268909.db2.gz MAGHQUVBVLNODW-UHFFFAOYSA-N 0 0 380.419 3.392 20 30 GGEDRN C[C@@H]1CN(c2ccnc(C(=O)N[C@@H](CCC#N)c3ccccc3)c2)C[C@@H](C)O1 ZINC000194942225 1433269524 /nfs/dbraw/zinc/26/95/24/1433269524.db2.gz GJUBRNYQAGMTJU-HLIPFELVSA-N 0 0 378.476 3.470 20 30 GGEDRN COC[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1 ZINC000194949075 1433271111 /nfs/dbraw/zinc/27/11/11/1433271111.db2.gz OUKRAFIOUSBOMN-INIZCTEOSA-N 0 0 392.242 3.307 20 30 GGEDRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(CC#N)c2ccccc2)c1 ZINC000194954519 1433272067 /nfs/dbraw/zinc/27/20/67/1433272067.db2.gz QMLHBLPQVFOJCH-UHFFFAOYSA-N 0 0 385.489 3.196 20 30 GGEDRN CS(=O)(=O)c1ccc(OCCCN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000194957974 1433272263 /nfs/dbraw/zinc/27/22/63/1433272263.db2.gz CSCGQISJIVSPMP-UHFFFAOYSA-N 0 0 384.501 3.395 20 30 GGEDRN N#Cc1ccc(CN(Cc2nnnn2-c2ccc(OC(F)F)cc2)C2CC2)cc1 ZINC000194957490 1433272373 /nfs/dbraw/zinc/27/23/73/1433272373.db2.gz SJCZBTSTFYPSML-UHFFFAOYSA-N 0 0 396.401 3.300 20 30 GGEDRN N#Cc1ccc(CN(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C2CC2)cc1 ZINC000194959177 1433272777 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30 GGEDRN C=CCN(CC(=O)OCC)C(=O)c1cc(C)nc2cc(Br)ccc21 ZINC000194980031 1433276138 /nfs/dbraw/zinc/27/61/38/1433276138.db2.gz FSLXSGDFDUCIGG-UHFFFAOYSA-N 0 0 391.265 3.497 20 30 GGEDRN COc1ccc2c(c1)OC[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)C2 ZINC000194988940 1433277323 /nfs/dbraw/zinc/27/73/23/1433277323.db2.gz GNKDSQJSDPLGMN-SUMWQHHRSA-N 0 0 384.819 3.247 20 30 GGEDRN COCCNC(=O)[C@H](C#N)C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000194989086 1433277623 /nfs/dbraw/zinc/27/76/23/1433277623.db2.gz QBZYMZTVPQSHSO-OAQYLSRUSA-N 0 0 376.456 3.052 20 30 GGEDRN CCOc1ccc(S(=O)(=O)N(CCOC)Cc2ccc(C#N)cc2)c(C)c1 ZINC000195010241 1433280355 /nfs/dbraw/zinc/28/03/55/1433280355.db2.gz BGYFHHWUGCCJOC-UHFFFAOYSA-N 0 0 388.489 3.103 20 30 GGEDRN N#Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000195022211 1433281834 /nfs/dbraw/zinc/28/18/34/1433281834.db2.gz LLBNDDDXBUFPMZ-UHFFFAOYSA-N 0 0 380.425 3.018 20 30 GGEDRN N#Cc1ccc(CN(C2CC2)S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000195021488 1433281932 /nfs/dbraw/zinc/28/19/32/1433281932.db2.gz SORQVVRSBZDDBH-UHFFFAOYSA-N 0 0 378.457 3.097 20 30 GGEDRN N#Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000195021768 1433281948 /nfs/dbraw/zinc/28/19/48/1433281948.db2.gz RSUVZYUVBGYDEP-UHFFFAOYSA-N 0 0 395.484 3.186 20 30 GGEDRN N#Cc1ccc(OC2CCC(NC(=O)c3cc(N4CCCC4)ccn3)CC2)nc1 ZINC000195057630 1433286253 /nfs/dbraw/zinc/28/62/53/1433286253.db2.gz GBILUNATZQZGMC-UHFFFAOYSA-N 0 0 391.475 3.068 20 30 GGEDRN CCc1cc(=O)[nH]c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 ZINC000195068495 1433287832 /nfs/dbraw/zinc/28/78/32/1433287832.db2.gz AYVIAACYFCZBCN-HNNXBMFYSA-N 0 0 384.505 3.377 20 30 GGEDRN CC(C)(CCC#N)COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000195067175 1433287850 /nfs/dbraw/zinc/28/78/50/1433287850.db2.gz JARFBUBMUWHJPE-GFCCVEGCSA-N 0 0 379.438 3.134 20 30 GGEDRN CCCCCCCS(=O)(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000195077964 1433289589 /nfs/dbraw/zinc/28/95/89/1433289589.db2.gz WUBXRRUIXRKTSY-UHFFFAOYSA-N 0 0 384.517 3.274 20 30 GGEDRN CC(C)(CCC#N)COC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000195079961 1433289885 /nfs/dbraw/zinc/28/98/85/1433289885.db2.gz YQWPYQVACIAYGQ-UHFFFAOYSA-N 0 0 396.484 3.100 20 30 GGEDRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OCC(C)(C)CCC#N)C2)cc1 ZINC000195082551 1433290298 /nfs/dbraw/zinc/29/02/98/1433290298.db2.gz IZZRBASOENBYEQ-QGZVFWFLSA-N 0 0 392.521 3.269 20 30 GGEDRN C=CCOc1ccc(CNc2ccc(C(=O)N3CCOCC3)cc2)cc1OC ZINC000195093013 1433291325 /nfs/dbraw/zinc/29/13/25/1433291325.db2.gz HAIRJNOCVOWQRK-UHFFFAOYSA-N 0 0 382.460 3.345 20 30 GGEDRN CC(C)(CCC#N)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000195094067 1433291339 /nfs/dbraw/zinc/29/13/39/1433291339.db2.gz GOCGQXJEXYVAGO-UHFFFAOYSA-N 0 0 390.461 3.245 20 30 GGEDRN CCN(C[C@@H](C)C#N)C(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC000195093790 1433291418 /nfs/dbraw/zinc/29/14/18/1433291418.db2.gz XIDPWIRWYQKWLX-ZBEGNZNMSA-N 0 0 385.411 3.444 20 30 GGEDRN COc1cc(OCC(=O)c2ccc(CC[C@@H](C)NC(C)=O)cc2)ccc1C#N ZINC000195095274 1433291669 /nfs/dbraw/zinc/29/16/69/1433291669.db2.gz VZUBDBMFMHSUTD-OAHLLOKOSA-N 0 0 380.444 3.286 20 30 GGEDRN CC(C)(CCC#N)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000195097265 1433291867 /nfs/dbraw/zinc/29/18/67/1433291867.db2.gz OQQKXPSAGSWDQW-UHFFFAOYSA-N 0 0 378.494 3.348 20 30 GGEDRN CSC1(CNC(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)CCC1 ZINC000195097135 1433292038 /nfs/dbraw/zinc/29/20/38/1433292038.db2.gz IVLOMPQWYAGKLR-UHFFFAOYSA-N 0 0 395.532 3.224 20 30 GGEDRN Cn1c(COc2ccc(Cl)cc2)nnc1S(=O)(=O)CCCC(C)(C)C#N ZINC000195102916 1433292764 /nfs/dbraw/zinc/29/27/64/1433292764.db2.gz GJNKIFFQQWJSJP-UHFFFAOYSA-N 0 0 396.900 3.151 20 30 GGEDRN Cn1c(COc2ccccc2Cl)nnc1S(=O)(=O)CCCC(C)(C)C#N ZINC000195101885 1433292778 /nfs/dbraw/zinc/29/27/78/1433292778.db2.gz QWVJANHOAOIGPH-UHFFFAOYSA-N 0 0 396.900 3.151 20 30 GGEDRN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1C(=O)OCC ZINC000195102522 1433292792 /nfs/dbraw/zinc/29/27/92/1433292792.db2.gz BUFQOQKJQIFXBF-UHFFFAOYSA-N 0 0 386.473 3.336 20 30 GGEDRN 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ZINC000246226484 1433584221 /nfs/dbraw/zinc/58/42/21/1433584221.db2.gz BWDBRLGXZFULOU-CWKRKGSWSA-N 0 0 386.499 3.134 20 30 GGEDRN N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000246249294 1433586289 /nfs/dbraw/zinc/58/62/89/1433586289.db2.gz YDBJGTJSOKDYLO-DFQSSKMNSA-N 0 0 378.428 3.418 20 30 GGEDRN CC[C@@H](c1ccncc1)N(CC)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000246262784 1433587764 /nfs/dbraw/zinc/58/77/64/1433587764.db2.gz YZIVLJXPXASSGI-UGKGYDQZSA-N 0 0 391.475 3.151 20 30 GGEDRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246264981 1433587830 /nfs/dbraw/zinc/58/78/30/1433587830.db2.gz AYSALUVPIDEDGL-WOJBJXKFSA-N 0 0 379.460 3.012 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000246267822 1433587976 /nfs/dbraw/zinc/58/79/76/1433587976.db2.gz QACDBPKAQHUAPF-PMPSAXMXSA-N 0 0 376.526 3.312 20 30 GGEDRN CCCC[C@@H]1CCC[C@H]1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000246278113 1433588858 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COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000246416620 1433609505 /nfs/dbraw/zinc/60/95/05/1433609505.db2.gz KKBQNNOWFRWUMA-FGZHOGPDSA-N 0 0 378.472 3.496 20 30 GGEDRN COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000246416648 1433609665 /nfs/dbraw/zinc/60/96/65/1433609665.db2.gz KKBQNNOWFRWUMA-YADHBBJMSA-N 0 0 378.472 3.496 20 30 GGEDRN N#C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)CCN1Cc1ccccc1 ZINC000246424909 1433610757 /nfs/dbraw/zinc/61/07/57/1433610757.db2.gz UIGWGKOJQONYLB-HOJAQTOUSA-N 0 0 381.426 3.305 20 30 GGEDRN CC[C@H](C)Oc1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 ZINC000246428812 1433611277 /nfs/dbraw/zinc/61/12/77/1433611277.db2.gz MZRXUSAUXOPRJM-CVEARBPZSA-N 0 0 394.479 3.268 20 30 GGEDRN N#C[C@@H]1CC[C@@H](OC(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)C1 ZINC000246441346 1433613070 /nfs/dbraw/zinc/61/30/70/1433613070.db2.gz ONPBORRPFMAJTD-NFAWXSAZSA-N 0 0 378.375 3.128 20 30 GGEDRN COC(=O)[C@@H]1CCC[C@H](C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000246450844 1433614830 /nfs/dbraw/zinc/61/48/30/1433614830.db2.gz ITASPJLMFNGSPY-LOWVWBTDSA-N 0 0 380.803 3.106 20 30 GGEDRN COC(=O)[C@@H]1CCC[C@@H](C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000246450856 1433614883 /nfs/dbraw/zinc/61/48/83/1433614883.db2.gz ITASPJLMFNGSPY-WZRBSPASSA-N 0 0 380.803 3.106 20 30 GGEDRN N#C[C@@H]1CC[C@@H](OC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000246457892 1433615653 /nfs/dbraw/zinc/61/56/53/1433615653.db2.gz PQQWDUJPHXQNCA-DAXOMENPSA-N 0 0 391.265 3.289 20 30 GGEDRN N#CCC[C@@H](NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 ZINC000246472462 1433618042 /nfs/dbraw/zinc/61/80/42/1433618042.db2.gz GBIOOCZHZRXGIX-FGZHOGPDSA-N 0 0 377.488 3.439 20 30 GGEDRN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000246504826 1433622625 /nfs/dbraw/zinc/62/26/25/1433622625.db2.gz OKINOOMEPFPIFL-HUUCEWRRSA-N 0 0 395.935 3.038 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246519327 1433624654 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LLCSRLHDHVMBRM-QFBILLFUSA-N 0 0 375.900 3.396 20 30 GGEDRN C[C@H](CCc1ccc(O)cc1)NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000246673255 1433647869 /nfs/dbraw/zinc/64/78/69/1433647869.db2.gz GFLSLSWESFCNME-NQIIRXRSSA-N 0 0 392.503 3.133 20 30 GGEDRN C[C@@H](CCc1ccccc1)NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000246681075 1433649185 /nfs/dbraw/zinc/64/91/85/1433649185.db2.gz HCEURAFZSCQWOM-UGKGYDQZSA-N 0 0 376.504 3.427 20 30 GGEDRN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000246712996 1433653971 /nfs/dbraw/zinc/65/39/71/1433653971.db2.gz JSKLWCRUSWUXIY-BZUAXINKSA-N 0 0 386.496 3.215 20 30 GGEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000246734460 1433657404 /nfs/dbraw/zinc/65/74/04/1433657404.db2.gz VZEHQGKMXDRGGN-HOTGVXAUSA-N 0 0 377.510 3.147 20 30 GGEDRN CC(=O)c1c(C)cc(C)c(CN2CCN(c3nccnc3C#N)C[C@H]2C)c1C ZINC000246765222 1433662221 /nfs/dbraw/zinc/66/22/21/1433662221.db2.gz BXZQUSNOAYTQKU-MRXNPFEDSA-N 0 0 377.492 3.187 20 30 GGEDRN 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20 30 GGEDRN C#Cc1cccc(N=C2SC(CC(=O)NC)C(=O)N2CCc2cccs2)c1 ZINC000255720880 1433888499 /nfs/dbraw/zinc/88/84/99/1433888499.db2.gz OOGALEYBAMUQCT-QGZVFWFLSA-N 0 0 397.525 3.040 20 30 GGEDRN Cn1ncc2c1CC/C(=C/c1cc(Br)c3c(c1)OCCO3)C2=O ZINC000255718244 1433888539 /nfs/dbraw/zinc/88/85/39/1433888539.db2.gz JECBSCXVXIFAKO-WDZFZDKYSA-N 0 0 375.222 3.166 20 30 GGEDRN Cc1nn(Cc2ccccc2)c(C)c1C=NOCC(=O)Nc1ccc(C#N)cc1 ZINC000255725438 1433888654 /nfs/dbraw/zinc/88/86/54/1433888654.db2.gz ATOXKHDBOUFEKC-UHFFFAOYSA-N 0 0 387.443 3.409 20 30 GGEDRN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(C=NOC)cc1 ZINC000255726526 1433888656 /nfs/dbraw/zinc/88/86/56/1433888656.db2.gz ZAQAQMMSQVDDEQ-UHFFFAOYSA-N 0 0 375.375 3.046 20 30 GGEDRN C=CCOc1ccc(/C=C\C(=O)NCc2ccc([S@](C)=O)cc2)cc1OC ZINC000255731274 1433888796 /nfs/dbraw/zinc/88/87/96/1433888796.db2.gz YWDOCZMYHPOLNN-YEJPDWFGSA-N 0 0 385.485 3.327 20 30 GGEDRN Oc1ccc(/C=N\Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c(O)c1O ZINC000255753674 1433888959 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GGEDRN CC(C)(CCO)CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000266436055 1434336535 /nfs/dbraw/zinc/33/65/35/1434336535.db2.gz ZHBJLMJEJHKCQK-UHFFFAOYSA-N 0 0 391.522 3.232 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000266443078 1434337317 /nfs/dbraw/zinc/33/73/17/1434337317.db2.gz YFKVSIFNNXTNMD-UHFFFAOYSA-N 0 0 387.455 3.094 20 30 GGEDRN N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H](O)C2CCOCC2)cc1F ZINC000266467217 1434340538 /nfs/dbraw/zinc/34/05/38/1434340538.db2.gz QWGVYKGYLYUVPT-GOSISDBHSA-N 0 0 399.422 3.399 20 30 GGEDRN CCOc1ccc(N[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)cc1CO ZINC000266475037 1434341234 /nfs/dbraw/zinc/34/12/34/1434341234.db2.gz OQMBKRQWMHOTEQ-MRXNPFEDSA-N 0 0 397.475 3.333 20 30 GGEDRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)NCC#Cc1ccccc1 ZINC000266482540 1434342005 /nfs/dbraw/zinc/34/20/05/1434342005.db2.gz IJOFEJNMLVELMH-UHFFFAOYSA-N 0 0 376.504 3.381 20 30 GGEDRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000266483464 1434342088 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376.468 3.079 20 30 GGEDRN C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000269966792 1434690797 /nfs/dbraw/zinc/69/07/97/1434690797.db2.gz YUPOPPXBHMFQLO-MAUKXSAKSA-N 0 0 393.443 3.051 20 30 GGEDRN C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000269966797 1434690908 /nfs/dbraw/zinc/69/09/08/1434690908.db2.gz YUPOPPXBHMFQLO-YJBOKZPZSA-N 0 0 393.443 3.051 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000270007416 1434693073 /nfs/dbraw/zinc/69/30/73/1434693073.db2.gz YVIYUZKFTGFHHB-CRAIPNDOSA-N 0 0 397.862 3.434 20 30 GGEDRN C=C(C)[C@H](CC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)OCC ZINC000270012233 1434693314 /nfs/dbraw/zinc/69/33/14/1434693314.db2.gz FVSVNJIWPCFIIX-FQEVSTJZSA-N 0 0 395.507 3.055 20 30 GGEDRN CCCCCCCCNC(=O)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000270023448 1434694080 /nfs/dbraw/zinc/69/40/80/1434694080.db2.gz AZCLFNZGYPZBTR-GOSISDBHSA-N 0 0 389.496 3.219 20 30 GGEDRN CCCCCCCCNC(=O)C(=O)Nc1ccc(N2C(=O)CCC2=O)c(C)c1 ZINC000270021848 1434694193 /nfs/dbraw/zinc/69/41/93/1434694193.db2.gz ATMNWSIIIWBPHB-UHFFFAOYSA-N 0 0 387.480 3.064 20 30 GGEDRN C=C(C)[C@H](CC(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1)OCC ZINC000270021615 1434694258 /nfs/dbraw/zinc/69/42/58/1434694258.db2.gz FKFIZMROJPPDTH-XLIONFOSSA-N 0 0 387.524 3.491 20 30 GGEDRN CCCCCCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000270029890 1434694647 /nfs/dbraw/zinc/69/46/47/1434694647.db2.gz BVVYBJCARMAFFM-UHFFFAOYSA-N 0 0 390.452 3.098 20 30 GGEDRN C=C(C)[C@H](CC(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1)OCC ZINC000270030471 1434694832 /nfs/dbraw/zinc/69/48/32/1434694832.db2.gz HLZLGQXHRLZQLK-FQEVSTJZSA-N 0 0 396.491 3.391 20 30 GGEDRN CCCCCCCCNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 ZINC000270038317 1434695348 /nfs/dbraw/zinc/69/53/48/1434695348.db2.gz JVVBAGMRNFTEOS-UHFFFAOYSA-N 0 0 379.526 3.058 20 30 GGEDRN N#CC1(NC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)CCSCC1 ZINC000270042233 1434695695 /nfs/dbraw/zinc/69/56/95/1434695695.db2.gz CNSZINVTRQHRQO-UHFFFAOYSA-N 0 0 387.383 3.317 20 30 GGEDRN C=C(C)[C@@H](CC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1)OCC ZINC000270047430 1434696462 /nfs/dbraw/zinc/69/64/62/1434696462.db2.gz LMLXHLHTWBIUPH-GOSISDBHSA-N 0 0 378.900 3.386 20 30 GGEDRN C=C(C)[C@@H](CC(=O)N[C@H](c1nccn1C)c1cc(OC)cc(OC)c1)OCC ZINC000270058215 1434697643 /nfs/dbraw/zinc/69/76/43/1434697643.db2.gz TWGOYPKYWVCUQF-QUCCMNQESA-N 0 0 387.480 3.014 20 30 GGEDRN C=C(C)[C@H](CC(=O)N[C@@H](c1nccn1C)c1cc(OC)cc(OC)c1)OCC ZINC000270058209 1434697871 /nfs/dbraw/zinc/69/78/71/1434697871.db2.gz TWGOYPKYWVCUQF-AZUAARDMSA-N 0 0 387.480 3.014 20 30 GGEDRN C=C(C)[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O)OCC ZINC000270061673 1434698031 /nfs/dbraw/zinc/69/80/31/1434698031.db2.gz PESVDGXICBWPRY-AWEZNQCLSA-N 0 0 394.415 3.387 20 30 GGEDRN CC(C)[C@H](O)C(C)(C)CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000270069330 1434698968 /nfs/dbraw/zinc/69/89/68/1434698968.db2.gz LHYGIMLCHYXVEB-PBHICJAKSA-N 0 0 391.537 3.179 20 30 GGEDRN CCN(CC)C(=O)c1cccc(OC[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000270087338 1434701687 /nfs/dbraw/zinc/70/16/87/1434701687.db2.gz HVUWOBQXHOVQRR-IBGZPJMESA-N 0 0 382.460 3.053 20 30 GGEDRN COc1cccc(COc2cccc(NC(=O)N3CCO[C@@H](C#N)C3)c2C)c1 ZINC000270091180 1434701815 /nfs/dbraw/zinc/70/18/15/1434701815.db2.gz BXLVWAAUEZKKOM-SFHVURJKSA-N 0 0 381.432 3.339 20 30 GGEDRN C=CCn1c(SCCCOC(=O)NC(N)=O)nnc1-c1cccc(Cl)c1 ZINC000270110397 1434703926 /nfs/dbraw/zinc/70/39/26/1434703926.db2.gz HEIJNRIZDRBKSF-UHFFFAOYSA-N 0 0 395.872 3.072 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000270119670 1434705043 /nfs/dbraw/zinc/70/50/43/1434705043.db2.gz QVUBWGRKECNBCM-KGLIPLIRSA-N 0 0 375.494 3.093 20 30 GGEDRN C=C(C)[C@@H](CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC)OCC ZINC000270122532 1434705354 /nfs/dbraw/zinc/70/53/54/1434705354.db2.gz IIZNQVVJNIRRRQ-GOSISDBHSA-N 0 0 398.525 3.036 20 30 GGEDRN CCOc1cc(C#N)ccc1OC[C@H](O)COc1ccc(CCC(C)=O)cc1 ZINC000270150362 1434707743 /nfs/dbraw/zinc/70/77/43/1434707743.db2.gz RNFYFEXITFKXTD-LJQANCHMSA-N 0 0 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Cc1cc(NC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)nn1CCC#N ZINC000271177928 1434806609 /nfs/dbraw/zinc/80/66/09/1434806609.db2.gz NUAHFOTWVMBRRS-UHFFFAOYSA-N 0 0 382.468 3.133 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NCC2(Cc3ccc(F)cc3)CC2)cc1Cl ZINC000271287735 1434813207 /nfs/dbraw/zinc/81/32/07/1434813207.db2.gz HPGMJADVNFOEPT-UHFFFAOYSA-N 0 0 385.826 3.428 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)NCC2(Cc3ccc(F)cc3)CC2)ccc1Cl ZINC000271304397 1434814662 /nfs/dbraw/zinc/81/46/62/1434814662.db2.gz LAQDNUHKDJLMJS-UHFFFAOYSA-N 0 0 385.826 3.428 20 30 GGEDRN C=CCN(C(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1)C1CC1 ZINC000271333602 1434816833 /nfs/dbraw/zinc/81/68/33/1434816833.db2.gz BLNCSNGYMAQYCZ-UHFFFAOYSA-N 0 0 392.459 3.287 20 30 GGEDRN CCn1nc(C)c(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1C ZINC000271341542 1434817557 /nfs/dbraw/zinc/81/75/57/1434817557.db2.gz CLQOPKAAZBGNBG-UHFFFAOYSA-N 0 0 394.479 3.274 20 30 GGEDRN COCCOc1c(Cl)cc(NCC(=O)N(CCC#N)CCC#N)cc1Cl ZINC000271350533 1434818142 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CCOC(=O)c1cnn(CCC#N)c1NC(=O)/C=C/c1ccc(OCC)cc1 ZINC000271482701 1434828482 /nfs/dbraw/zinc/82/84/82/1434828482.db2.gz HBMOOPHUKOVXLF-DHZHZOJOSA-N 0 0 382.420 3.024 20 30 GGEDRN CCCN1c2ccc(NC(=O)COc3ccc(C#N)cc3OC)cc2CCC1=O ZINC000271499157 1434829859 /nfs/dbraw/zinc/82/98/59/1434829859.db2.gz KFFZGVAAHCMMCL-UHFFFAOYSA-N 0 0 393.443 3.274 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)C[C@H](C)c1cccc(OC)c1 ZINC000271562816 1434835088 /nfs/dbraw/zinc/83/50/88/1434835088.db2.gz PXFNTAVOAQYPKY-AWEZNQCLSA-N 0 0 384.436 3.114 20 30 GGEDRN CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000271563788 1434835103 /nfs/dbraw/zinc/83/51/03/1434835103.db2.gz DSSXIEBQIKFHJS-QGZVFWFLSA-N 0 0 381.480 3.448 20 30 GGEDRN CCCCN(C(=O)Nc1ccc(OC(C)C)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000271573074 1434836123 /nfs/dbraw/zinc/83/61/23/1434836123.db2.gz SZURLTHDFHZYMH-KRWDZBQOSA-N 0 0 393.509 3.167 20 30 GGEDRN C#CCCCCC(=O)NCCCCCc1nc(-c2ccc(O)c(OC)c2)no1 ZINC000271582448 1434836682 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CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@H](CC)Oc1ccccc1C ZINC000271626256 1434840012 /nfs/dbraw/zinc/84/00/12/1434840012.db2.gz YIOQXEAYWHYRIB-INIZCTEOSA-N 0 0 384.436 3.078 20 30 GGEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@H]2c2ccc(Cl)cc2)n1 ZINC000271644387 1434841463 /nfs/dbraw/zinc/84/14/63/1434841463.db2.gz LNCMQALHKFAPJQ-HNNXBMFYSA-N 0 0 385.855 3.075 20 30 GGEDRN Cc1nn(C)c(=O)c(-c2nc(CN[C@H](C)c3ccc(C#N)cc3)cs2)c1C ZINC000271669672 1434842987 /nfs/dbraw/zinc/84/29/87/1434842987.db2.gz MVUIWHLOCJNJEM-CQSZACIVSA-N 0 0 379.489 3.243 20 30 GGEDRN COC(=O)c1sc2[nH]c(CN[C@@H](C)c3ccc(C#N)cc3)nc(=O)c2c1C ZINC000271676444 1434843620 /nfs/dbraw/zinc/84/36/20/1434843620.db2.gz OSJLQIQPBROKKH-NSHDSACASA-N 0 0 382.445 3.214 20 30 GGEDRN COC1(C)CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000271702197 1434845014 /nfs/dbraw/zinc/84/50/14/1434845014.db2.gz SRZAFRUNIDNWND-UHFFFAOYSA-N 0 0 393.443 3.317 20 30 GGEDRN CC[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)c1ccc(Cl)s1 ZINC000271709946 1434845569 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GGEDRN COC(=O)[C@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)c1cccc(C#N)c1 ZINC000271795739 1434851217 /nfs/dbraw/zinc/85/12/17/1434851217.db2.gz LFROYYLZBYKXEY-AUUYWEPGSA-N 0 0 379.416 3.080 20 30 GGEDRN CC(C)c1cc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc(=O)[nH]1 ZINC000271799794 1434851539 /nfs/dbraw/zinc/85/15/39/1434851539.db2.gz PAULIFMXLSNCEL-UHFFFAOYSA-N 0 0 392.459 3.273 20 30 GGEDRN COc1cc([C@H](C)NCc2nnc(-c3ccc(C#N)cc3)o2)cc(OC)c1OC ZINC000271824296 1434852789 /nfs/dbraw/zinc/85/27/89/1434852789.db2.gz WDHQEDKRGDCBTD-ZDUSSCGKSA-N 0 0 394.431 3.485 20 30 GGEDRN COc1cc([C@@H](C)NCc2nnc(-c3ccc(C#N)cc3)o2)cc(OC)c1OC ZINC000271824291 1434852815 /nfs/dbraw/zinc/85/28/15/1434852815.db2.gz WDHQEDKRGDCBTD-CYBMUJFWSA-N 0 0 394.431 3.485 20 30 GGEDRN N#CCc1ccc(COC(=O)[C@@H]2CCCN2c2ncnc3sccc32)cc1 ZINC000271831108 1434853397 /nfs/dbraw/zinc/85/33/97/1434853397.db2.gz OUKUSMPULWRPNE-KRWDZBQOSA-N 0 0 378.457 3.470 20 30 GGEDRN C=CCN(C(=O)COCCCOC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000271859058 1434855419 /nfs/dbraw/zinc/85/54/19/1434855419.db2.gz VOSKCRRWRKAUCZ-UHFFFAOYSA-N 0 0 391.449 3.290 20 30 GGEDRN C[C@@H](CCO)C1(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)CCC1 ZINC000271888050 1434857336 /nfs/dbraw/zinc/85/73/36/1434857336.db2.gz OESFTHAGOXSBDL-SFHVURJKSA-N 0 0 385.508 3.018 20 30 GGEDRN CO[C@@H]1[C@H](C)[C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C1(C)C ZINC000271896329 1434857816 /nfs/dbraw/zinc/85/78/16/1434857816.db2.gz NYAIBUCTAYQPJF-BQGCOEIASA-N 0 0 389.521 3.195 20 30 GGEDRN CO[C@@H]1[C@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1(C)C ZINC000271896332 1434857859 /nfs/dbraw/zinc/85/78/59/1434857859.db2.gz NYAIBUCTAYQPJF-UWWPHRKUSA-N 0 0 389.521 3.195 20 30 GGEDRN C[C@H](CC(=O)OCc1ccc(CC#N)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000271911567 1434858783 /nfs/dbraw/zinc/85/87/83/1434858783.db2.gz YAXBGNRMGOSLPO-CQSZACIVSA-N 0 0 375.421 3.187 20 30 GGEDRN CC[C@H](C)N(CC(=O)NC1(C#N)CCCCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000271936420 1434860465 /nfs/dbraw/zinc/86/04/65/1434860465.db2.gz 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393.443 3.363 20 30 GGEDRN Cc1cc(NC(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)nn1CCC#N ZINC000272054840 1434869254 /nfs/dbraw/zinc/86/92/54/1434869254.db2.gz HYSVIAVLKUEOBX-KRWDZBQOSA-N 0 0 391.479 3.460 20 30 GGEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H]1CCCOCC1 ZINC000272059607 1434869379 /nfs/dbraw/zinc/86/93/79/1434869379.db2.gz NGNYAXJTVPDFTO-QGZVFWFLSA-N 0 0 393.443 3.283 20 30 GGEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H]1CCCOCC1 ZINC000272059604 1434869424 /nfs/dbraw/zinc/86/94/24/1434869424.db2.gz NGNYAXJTVPDFTO-KRWDZBQOSA-N 0 0 393.443 3.283 20 30 GGEDRN Cc1cc(NC(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)nn1CCC#N ZINC000272059955 1434869467 /nfs/dbraw/zinc/86/94/67/1434869467.db2.gz IRCMXCVBCPHYNZ-AWEZNQCLSA-N 0 0 395.467 3.272 20 30 GGEDRN Cc1cc(NC(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)nn1CCC#N ZINC000272067756 1434869994 /nfs/dbraw/zinc/86/99/94/1434869994.db2.gz JUNMAHJGBYRGGQ-GFCCVEGCSA-N 0 0 383.387 3.177 20 30 GGEDRN Cc1cc(NC(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)nn1CCC#N ZINC000272067759 1434870069 /nfs/dbraw/zinc/87/00/69/1434870069.db2.gz JUNMAHJGBYRGGQ-LBPRGKRZSA-N 0 0 383.387 3.177 20 30 GGEDRN Cc1cc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)nn1CCC#N ZINC000272076722 1434870592 /nfs/dbraw/zinc/87/05/92/1434870592.db2.gz KZJFWQOJAPWKMW-SFHVURJKSA-N 0 0 393.447 3.466 20 30 GGEDRN Cc1cc(NC(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C)nn1CCC#N ZINC000272083550 1434870931 /nfs/dbraw/zinc/87/09/31/1434870931.db2.gz MBCHYPOAHQXVLG-UHFFFAOYSA-N 0 0 392.504 3.120 20 30 GGEDRN Cc1cc(NC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)nn1CCC#N ZINC000272097368 1434871852 /nfs/dbraw/zinc/87/18/52/1434871852.db2.gz OEANTLXHRZYZAO-IBGZPJMESA-N 0 0 392.504 3.166 20 30 GGEDRN Cc1cc(NC(=O)NCc2ccccc2OCC(F)(F)F)nn1CCC#N ZINC000272097417 1434871908 /nfs/dbraw/zinc/87/19/08/1434871908.db2.gz OEOTUCVBSHZRJX-UHFFFAOYSA-N 0 0 381.358 3.368 20 30 GGEDRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)Nc3cc(C)n(CCC#N)n3)ccc2NC1=O ZINC000272101941 1434872213 /nfs/dbraw/zinc/87/22/13/1434872213.db2.gz OWEPFTWXDWWOOC-BBRMVZONSA-N 0 0 396.451 3.097 20 30 GGEDRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)Nc3cc(C)n(CCC#N)n3)ccc2NC1=O ZINC000272101946 1434872235 /nfs/dbraw/zinc/87/22/35/1434872235.db2.gz OWEPFTWXDWWOOC-CJNGLKHVSA-N 0 0 396.451 3.097 20 30 GGEDRN COc1ccc(C[C@H](C)CNC(=O)Nc2cc(C)n(CCC#N)n2)cc1OC ZINC000272108803 1434872570 /nfs/dbraw/zinc/87/25/70/1434872570.db2.gz PXRZWNYJSCUIMI-AWEZNQCLSA-N 0 0 385.468 3.123 20 30 GGEDRN Cc1cc(NC(=O)NCc2ccc(N3CCC(C)CC3)nc2)nn1CCC#N ZINC000272123557 1434873647 /nfs/dbraw/zinc/87/36/47/1434873647.db2.gz SRYPHNOBQILHJT-UHFFFAOYSA-N 0 0 381.484 3.058 20 30 GGEDRN Cc1cc(NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)nn1CCC#N ZINC000272137603 1434874184 /nfs/dbraw/zinc/87/41/84/1434874184.db2.gz WADMTIJUDKSWDY-CYBMUJFWSA-N 0 0 390.850 3.298 20 30 GGEDRN Cc1cc(NC(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)nn1CCC#N ZINC000272148352 1434874874 /nfs/dbraw/zinc/87/48/74/1434874874.db2.gz XJVUFUJSGUUCOC-MRXNPFEDSA-N 0 0 377.452 3.151 20 30 GGEDRN Cc1cc(NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)nn1CCC#N ZINC000272149790 1434874967 /nfs/dbraw/zinc/87/49/67/1434874967.db2.gz XPMCHBKPBYICGA-LJQANCHMSA-N 0 0 381.436 3.149 20 30 GGEDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2cc(C)n(CCC#N)n2)c1 ZINC000272152770 1434875199 /nfs/dbraw/zinc/87/51/99/1434875199.db2.gz XXWUESUBXQQEBS-AWEZNQCLSA-N 0 0 382.468 3.412 20 30 GGEDRN Cc1cc(NC(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)nn1CCC#N ZINC000272155601 1434875300 /nfs/dbraw/zinc/87/53/00/1434875300.db2.gz YELBFKKSMIPSLI-MRXNPFEDSA-N 0 0 383.427 3.371 20 30 GGEDRN Cc1cc(NC(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)nn1CCC#N ZINC000272160454 1434875573 /nfs/dbraw/zinc/87/55/73/1434875573.db2.gz YUGPUOKYUDREBK-UHFFFAOYSA-N 0 0 390.488 3.016 20 30 GGEDRN N#Cc1ccc(CN2CCCN(C(=O)c3cncnc3-c3ccccc3)CC2)cc1 ZINC000272182868 1434876595 /nfs/dbraw/zinc/87/65/95/1434876595.db2.gz DCFRKUONDWQANL-UHFFFAOYSA-N 0 0 397.482 3.363 20 30 GGEDRN COc1cc(/C=C2/CCc3c(cnn3C)C2=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272200271 1434877732 /nfs/dbraw/zinc/87/77/32/1434877732.db2.gz MIFFPNYAQMMIRV-YHYXMXQVSA-N 0 0 393.346 3.193 20 30 GGEDRN COc1cc(/C=C/C(=O)c2cn(C)nc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272201650 1434877737 /nfs/dbraw/zinc/87/77/37/1434877737.db2.gz MLUNQWLSLWJDFZ-SNAWJCMRSA-N 0 0 381.335 3.185 20 30 GGEDRN COC(=O)Nc1ccc(COC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 ZINC000272224113 1434879227 /nfs/dbraw/zinc/87/92/27/1434879227.db2.gz FDGLXICZNBNPNK-UHFFFAOYSA-N 0 0 383.404 3.130 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000272243526 1434881141 /nfs/dbraw/zinc/88/11/41/1434881141.db2.gz HAEOPDFDZMYOGI-UHFFFAOYSA-N 0 0 383.448 3.015 20 30 GGEDRN COCC[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)c1ccc(C)o1 ZINC000272255473 1434881951 /nfs/dbraw/zinc/88/19/51/1434881951.db2.gz IRSFHJYVIODZKS-INIZCTEOSA-N 0 0 399.447 3.079 20 30 GGEDRN CO/N=C/c1ccc(C(=O)N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC000272267622 1434882764 /nfs/dbraw/zinc/88/27/64/1434882764.db2.gz KZLLIPJMRTZUBS-UHWHEAADSA-N 0 0 375.469 3.042 20 30 GGEDRN CO/N=C/c1ccc(C(=O)N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC000272267618 1434882839 /nfs/dbraw/zinc/88/28/39/1434882839.db2.gz KZLLIPJMRTZUBS-NEIPXSMVSA-N 0 0 375.469 3.042 20 30 GGEDRN COc1cc(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc(OC)c1OC ZINC000272279622 1434883924 /nfs/dbraw/zinc/88/39/24/1434883924.db2.gz ZOMJVCWDNMOBMD-KRWDZBQOSA-N 0 0 381.432 3.192 20 30 GGEDRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)CSc2ccc(C#N)cc2)C1 ZINC000272285937 1434884245 /nfs/dbraw/zinc/88/42/45/1434884245.db2.gz IYYXONLCMVFOTC-GOEBONIOSA-N 0 0 389.521 3.412 20 30 GGEDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)CSc2ccc(C#N)cc2)C1 ZINC000272284494 1434884280 /nfs/dbraw/zinc/88/42/80/1434884280.db2.gz IYYXONLCMVFOTC-GDBMZVCRSA-N 0 0 389.521 3.412 20 30 GGEDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)CSc2ccc(C#N)cc2)C1 ZINC000272285942 1434884437 /nfs/dbraw/zinc/88/44/37/1434884437.db2.gz IYYXONLCMVFOTC-ZBFHGGJFSA-N 0 0 389.521 3.412 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000272314203 1434886531 /nfs/dbraw/zinc/88/65/31/1434886531.db2.gz PFBUSLKAYRQJCA-INMHGKMJSA-N 0 0 389.521 3.029 20 30 GGEDRN COCC[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccc(C)o1 ZINC000272335698 1434888184 /nfs/dbraw/zinc/88/81/84/1434888184.db2.gz AVSNELILVHYGSW-PMACEKPBSA-N 0 0 396.491 3.085 20 30 GGEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)NCc2ccccc2N2CCCCC2)c1 ZINC000272346994 1434889156 /nfs/dbraw/zinc/88/91/56/1434889156.db2.gz UOMWHUKEACIGHA-UHFFFAOYSA-N 0 0 396.878 3.457 20 30 GGEDRN CC(C)(C)[C@@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000272374402 1434891372 /nfs/dbraw/zinc/89/13/72/1434891372.db2.gz CIIREHZPAJSRCS-GOSISDBHSA-N 0 0 397.928 3.183 20 30 GGEDRN CC(C)c1nc(C2CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)no1 ZINC000272375454 1434891387 /nfs/dbraw/zinc/89/13/87/1434891387.db2.gz VEQPDQYVKDENJT-LJQANCHMSA-N 0 0 393.491 3.440 20 30 GGEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000272378815 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COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccccc2O[C@H](C)C#N)CC1=O ZINC000272440191 1434896351 /nfs/dbraw/zinc/89/63/51/1434896351.db2.gz APUIZWZHWKYEAC-CVEARBPZSA-N 0 0 393.443 3.286 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000272442368 1434896637 /nfs/dbraw/zinc/89/66/37/1434896637.db2.gz AMDLRYAIDQUNHC-RDTXWAMCSA-N 0 0 381.407 3.419 20 30 GGEDRN COc1ccc([C@H](C)CCNC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 ZINC000272442636 1434896642 /nfs/dbraw/zinc/89/66/42/1434896642.db2.gz AOAUFKQZQMZHNW-HZPDHXFCSA-N 0 0 395.459 3.235 20 30 GGEDRN CCC(CC)[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CCO1 ZINC000272445173 1434896793 /nfs/dbraw/zinc/89/67/93/1434896793.db2.gz BCBDRYGNJGZUIO-OGWOLHLISA-N 0 0 387.480 3.016 20 30 GGEDRN CC[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)Oc1ccccc1F ZINC000272446271 1434896845 /nfs/dbraw/zinc/89/68/45/1434896845.db2.gz AWSFNWQHLNYGSA-LSDHHAIUSA-N 0 0 399.422 3.029 20 30 GGEDRN CCCCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)C1(C)C 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SNIFAJQEXXAIRX-DZGCQCFKSA-N 0 0 375.494 3.254 20 30 GGEDRN CC[C@H]1C[C@H](CC(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)CCO1 ZINC000272724389 1434926064 /nfs/dbraw/zinc/92/60/64/1434926064.db2.gz KJFIYGRLIAPXNH-MJGOQNOKSA-N 0 0 392.503 3.350 20 30 GGEDRN COC[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)OC ZINC000272730203 1434926460 /nfs/dbraw/zinc/92/64/60/1434926460.db2.gz PBZBRVAGYGBCIP-KRWDZBQOSA-N 0 0 385.420 3.142 20 30 GGEDRN COC[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)OC ZINC000272744287 1434927678 /nfs/dbraw/zinc/92/76/78/1434927678.db2.gz DEZCAWMJPCPVKM-LJQANCHMSA-N 0 0 383.448 3.115 20 30 GGEDRN CC(=O)c1ccc(NC(=O)[C@@H](C)ON=C(N)c2ccc(NC(C)(C)C)cn2)cc1 ZINC000272749182 1434927875 /nfs/dbraw/zinc/92/78/75/1434927875.db2.gz JNHXOSDZSNPXSG-CQSZACIVSA-N 0 0 397.479 3.159 20 30 GGEDRN CN(C)C(=O)CC1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000272754041 1434928357 /nfs/dbraw/zinc/92/83/57/1434928357.db2.gz UFAAZYQFRMTVTA-UHFFFAOYSA-N 0 0 382.386 3.299 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)COc1cccc(N2CCCC2=O)c1 ZINC000272764151 1434929361 /nfs/dbraw/zinc/92/93/61/1434929361.db2.gz ZAJFHJBMBLNOKG-OAHLLOKOSA-N 0 0 379.416 3.122 20 30 GGEDRN COc1cccc2c1CCN(C(=O)C(=O)Nc1ccccc1SCCC#N)C2 ZINC000272780728 1434930480 /nfs/dbraw/zinc/93/04/80/1434930480.db2.gz BLKIKZOUGLUJIY-UHFFFAOYSA-N 0 0 395.484 3.224 20 30 GGEDRN COC(=O)Nc1ccc(NC(=O)N2CCN(c3ccccc3C#N)CC2)cc1F ZINC000272784650 1434930880 /nfs/dbraw/zinc/93/08/80/1434930880.db2.gz ARZBZNFVQRWVOP-UHFFFAOYSA-N 0 0 397.410 3.230 20 30 GGEDRN COc1cccc(C(=O)NCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1 ZINC000272791439 1434931332 /nfs/dbraw/zinc/93/13/32/1434931332.db2.gz AWFPUTKEHZCGMH-CQSZACIVSA-N 0 0 383.473 3.315 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(N2CCOC2=O)cc1 ZINC000272842596 1434935453 /nfs/dbraw/zinc/93/54/53/1434935453.db2.gz MFTMGMRXARSTSJ-AWEZNQCLSA-N 0 0 380.404 3.256 20 30 GGEDRN Cc1csc(C(C)(C)NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000272872208 1434937596 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N#Cc1cc([N+](=O)[O-])cnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272930459 1434941839 /nfs/dbraw/zinc/94/18/39/1434941839.db2.gz SIGKGCLKNBUBTN-HNNXBMFYSA-N 0 0 378.310 3.458 20 30 GGEDRN C[C@H]1CN(C(=O)c2ccc(CNc3nc4ccccn4c3C#N)cc2)C[C@H](C)O1 ZINC000272931618 1434942003 /nfs/dbraw/zinc/94/20/03/1434942003.db2.gz SRLQIACMAMDFOR-HOTGVXAUSA-N 0 0 389.459 3.067 20 30 GGEDRN Cc1nc(C)c(C#N)c(S[C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)n1 ZINC000272930907 1434942022 /nfs/dbraw/zinc/94/20/22/1434942022.db2.gz LAFJOLMERGDLRE-CQSZACIVSA-N 0 0 380.395 3.173 20 30 GGEDRN Cc1cc(C)cc(N(CCC#N)C(=O)Cn2cnc3cnc(Cl)cc3c2=O)c1 ZINC000272937986 1434942460 /nfs/dbraw/zinc/94/24/60/1434942460.db2.gz WKJVGFVHKLDNGA-UHFFFAOYSA-N 0 0 395.850 3.009 20 30 GGEDRN C=CCS(=O)(=O)CCNC(=O)Nc1ccccc1N(C)Cc1ccccc1 ZINC000272953142 1434943675 /nfs/dbraw/zinc/94/36/75/1434943675.db2.gz KHIMYMGQANMJFU-UHFFFAOYSA-N 0 0 387.505 3.045 20 30 GGEDRN COc1ccc(CN2CCN(c3nc(C)cc(C)n3)CC2)cc1OCCCC#N ZINC000272962021 1434944456 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GGEDRN C#CCN(Cc1ccc(F)cc1)C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000274494521 1435074777 /nfs/dbraw/zinc/07/47/77/1435074777.db2.gz GJNYVIKIAIGHPB-UHFFFAOYSA-N 0 0 381.451 3.196 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)N2CCSC3(CCOCC3)C2)cc1OC ZINC000274536137 1435077194 /nfs/dbraw/zinc/07/71/94/1435077194.db2.gz CVGPOMIAMWAXDT-FNORWQNLSA-N 0 0 389.517 3.398 20 30 GGEDRN COCc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)o1 ZINC000274537529 1435077332 /nfs/dbraw/zinc/07/73/32/1435077332.db2.gz RWKFBCSNPZZZKW-PBHICJAKSA-N 0 0 397.431 3.019 20 30 GGEDRN N#Cc1ccccc1CSCCNC(=O)N1CCSC2(CCOCC2)C1 ZINC000274537982 1435077415 /nfs/dbraw/zinc/07/74/15/1435077415.db2.gz DCXPDJVTOMTHII-UHFFFAOYSA-N 0 0 391.562 3.099 20 30 GGEDRN COCc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)o1 ZINC000274537535 1435077429 /nfs/dbraw/zinc/07/74/29/1435077429.db2.gz RWKFBCSNPZZZKW-WMLDXEAASA-N 0 0 397.431 3.019 20 30 GGEDRN C=CCCCCNC(=O)C(=O)Nc1ccc(OC)c(OCc2cccnc2)c1 ZINC000274556040 1435078355 /nfs/dbraw/zinc/07/83/55/1435078355.db2.gz VXAXOFWQLHFTGC-UHFFFAOYSA-N 0 0 383.448 3.080 20 30 GGEDRN COc1cccc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1[N+](=O)[O-] ZINC000274563495 1435078544 /nfs/dbraw/zinc/07/85/44/1435078544.db2.gz BSPCTTHQKCUHSE-UHFFFAOYSA-N 0 0 380.404 3.330 20 30 GGEDRN C=CCCCCNC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC000274572435 1435078803 /nfs/dbraw/zinc/07/88/03/1435078803.db2.gz ZETCKHVBDIDJCZ-UHFFFAOYSA-N 0 0 385.508 3.278 20 30 GGEDRN CCOC(=O)N1CC[C@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000274572029 1435078824 /nfs/dbraw/zinc/07/88/24/1435078824.db2.gz HOAPDWRGMRWOLB-KBPBESRZSA-N 0 0 376.482 3.433 20 30 GGEDRN CCCCCCCCNC(=O)C(=O)Nc1cc(C(C)C)nn1-c1ncccn1 ZINC000274588916 1435079729 /nfs/dbraw/zinc/07/97/29/1435079729.db2.gz JOOJREHNRLZSKL-UHFFFAOYSA-N 0 0 386.500 3.201 20 30 GGEDRN C=CCCCCNC(=O)N1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000274619245 1435081363 /nfs/dbraw/zinc/08/13/63/1435081363.db2.gz WHNQPEIAPJKHHG-MRXNPFEDSA-N 0 0 380.558 3.424 20 30 GGEDRN C=CCCCCNC(=O)N1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000274634614 1435082246 /nfs/dbraw/zinc/08/22/46/1435082246.db2.gz ZTZXOGRTONLJKK-MRXNPFEDSA-N 0 0 380.558 3.424 20 30 GGEDRN C=CCCCCNC(=O)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1 ZINC000274640709 1435082633 /nfs/dbraw/zinc/08/26/33/1435082633.db2.gz ZAYWPEPJQIXROD-UHFFFAOYSA-N 0 0 392.525 3.415 20 30 GGEDRN CC[C@H](CC#N)NC(=O)Nc1ccc(C)c(Oc2ccnc(C(=O)NC)c2)c1 ZINC000274646438 1435082975 /nfs/dbraw/zinc/08/29/75/1435082975.db2.gz LZCJZHMSMZRITQ-CQSZACIVSA-N 0 0 381.436 3.356 20 30 GGEDRN C#CCOc1ccccc1NC(=O)C(=O)N(CCCCOC)Cc1ccccc1 ZINC000274658148 1435083609 /nfs/dbraw/zinc/08/36/09/1435083609.db2.gz DOSMFNYYBQQYKS-UHFFFAOYSA-N 0 0 394.471 3.093 20 30 GGEDRN COC(CCCC(C)(C)CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)OC ZINC000274674037 1435084674 /nfs/dbraw/zinc/08/46/74/1435084674.db2.gz IEPLBOMNCLBGKK-UHFFFAOYSA-N 0 0 391.512 3.140 20 30 GGEDRN CCCCCCCCCN(C)C(=O)C(=O)Nc1ccnn1-c1ccc(C)nn1 ZINC000274685373 1435085548 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C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)c1 ZINC000274883339 1435100952 /nfs/dbraw/zinc/10/09/52/1435100952.db2.gz DHYFYJIBPXELQT-NRFANRHFSA-N 0 0 393.508 3.416 20 30 GGEDRN Cc1nnc([C@@H]2CCCN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)C2)[nH]1 ZINC000274890034 1435101342 /nfs/dbraw/zinc/10/13/42/1435101342.db2.gz ZPWLRSWEJOSOCR-OAHLLOKOSA-N 0 0 391.397 3.073 20 30 GGEDRN N#CCOc1cccc(NC(=O)NCCc2ccc(OCC(F)(F)F)nc2)c1 ZINC000274899627 1435102069 /nfs/dbraw/zinc/10/20/69/1435102069.db2.gz KZBMYGDANCSZRA-UHFFFAOYSA-N 0 0 394.353 3.289 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)N1CCOC[C@H]1c1ccc(C)o1 ZINC000274901336 1435102282 /nfs/dbraw/zinc/10/22/82/1435102282.db2.gz SPZBHUQFMHPBIM-KRWDZBQOSA-N 0 0 385.420 3.090 20 30 GGEDRN COC(=O)c1c[nH]c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)n1 ZINC000274902490 1435102537 /nfs/dbraw/zinc/10/25/37/1435102537.db2.gz IJMHTSKOIYRHIS-UHFFFAOYSA-N 0 0 392.868 3.197 20 30 GGEDRN C[C@](O)(CNC(=O)Nc1ccc(OC(F)F)cc1OC(F)F)C(F)(F)F ZINC000274912255 1435102963 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GGEDRN CCC(CC)CN(CCC#N)S(=O)(=O)c1c(OC)cc(OC)cc1OC ZINC000275111806 1435116819 /nfs/dbraw/zinc/11/68/19/1435116819.db2.gz WMRCUAOFNXPAGC-UHFFFAOYSA-N 0 0 384.498 3.053 20 30 GGEDRN C=C(C)CN1C(=O)[C@@H](CC(=O)NC)S/C1=N/c1ccc(OC(C)C)cc1 ZINC000275110937 1435116879 /nfs/dbraw/zinc/11/68/79/1435116879.db2.gz SASPVMDANSNFPI-QQMHEVNUSA-N 0 0 375.494 3.118 20 30 GGEDRN COC(=O)[C@]1(C)CCCN1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000275113019 1435116973 /nfs/dbraw/zinc/11/69/73/1435116973.db2.gz NOQYHRVHIKDGCX-LIRRHRJNSA-N 0 0 375.494 3.047 20 30 GGEDRN C#CC[C@@H](NC(=O)N(C)Cc1ccc(OCC(=O)OC)cc1)c1ccccc1 ZINC000275120019 1435117387 /nfs/dbraw/zinc/11/73/87/1435117387.db2.gz MTCDZMCBNOZHHC-HXUWFJFHSA-N 0 0 380.444 3.144 20 30 GGEDRN N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3CCCC[C@@H]3O)s2)cc1 ZINC000275170343 1435120423 /nfs/dbraw/zinc/12/04/23/1435120423.db2.gz COSNDKPAMCONEW-KBPBESRZSA-N 0 0 389.506 3.127 20 30 GGEDRN N#Cc1cc(NC(=O)N2CCC(Oc3cncc(Cl)n3)CC2)ccc1F ZINC000275171918 1435120433 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3.217 20 30 GGEDRN CCOc1cc2c(cc1NC(=O)NCc1ccc(OCC#N)cc1)OCCO2 ZINC000275237718 1435124866 /nfs/dbraw/zinc/12/48/66/1435124866.db2.gz MQWFMIYFNLUAPH-UHFFFAOYSA-N 0 0 383.404 3.081 20 30 GGEDRN C=CCN(CC=C)C(=O)Nc1ccnn1Cc1ccc(OC)c(OC)c1OC ZINC000275253359 1435126194 /nfs/dbraw/zinc/12/61/94/1435126194.db2.gz QNLMLVYTCSMSTC-UHFFFAOYSA-N 0 0 386.452 3.163 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCOC ZINC000275300932 1435129619 /nfs/dbraw/zinc/12/96/19/1435129619.db2.gz ALDTUULZZKRVOJ-UHFFFAOYSA-N 0 0 397.475 3.468 20 30 GGEDRN C=CCN(C(=O)Nc1ccnn1Cc1ccc(OC)c(OC)c1OC)C1CC1 ZINC000275302344 1435129785 /nfs/dbraw/zinc/12/97/85/1435129785.db2.gz ZZKLXCUEBMWLFZ-UHFFFAOYSA-N 0 0 386.452 3.140 20 30 GGEDRN Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cnn1C ZINC000275306961 1435130276 /nfs/dbraw/zinc/13/02/76/1435130276.db2.gz BNNYIIWAFSVDOE-MJEQTWJJSA-N 0 0 393.274 3.494 20 30 GGEDRN C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1OC ZINC000275364949 1435134201 /nfs/dbraw/zinc/13/42/01/1435134201.db2.gz JZGQYQGTWXCMOX-VACYZGCOSA-N 0 0 397.475 3.043 20 30 GGEDRN C=C(C)CNC(=O)C(=O)Nc1cccc(CN(CC)C(=O)OC(C)(C)C)c1 ZINC000275422128 1435138157 /nfs/dbraw/zinc/13/81/57/1435138157.db2.gz ZRLXKMWHOIYUME-UHFFFAOYSA-N 0 0 375.469 3.074 20 30 GGEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(OC2COC2)cc1 ZINC000275456901 1435140488 /nfs/dbraw/zinc/14/04/88/1435140488.db2.gz QKYIHQRJAQWLEZ-UHFFFAOYSA-N 0 0 379.416 3.083 20 30 GGEDRN CCOc1cc(N2CCOC(C)(C)C2)ccc1/N=C/c1c(CO)cnc(C)c1O ZINC000275458395 1435140554 /nfs/dbraw/zinc/14/05/54/1435140554.db2.gz JTAIYLGITICGIW-WYMPLXKRSA-N 0 0 399.491 3.352 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)NCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000275470239 1435141698 /nfs/dbraw/zinc/14/16/98/1435141698.db2.gz NWRIHHYFSUQKNY-KRWDZBQOSA-N 0 0 375.387 3.481 20 30 GGEDRN C#CCOc1cc(F)ccc1NC(=O)N1CCOC[C@@H]1c1nc(C)cs1 ZINC000275481177 1435142557 /nfs/dbraw/zinc/14/25/57/1435142557.db2.gz IZIMMGVBMLQJNQ-OAHLLOKOSA-N 0 0 375.425 3.208 20 30 GGEDRN C#CCOc1ccccc1NC(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1 ZINC000275489572 1435142950 /nfs/dbraw/zinc/14/29/50/1435142950.db2.gz QTSGRHPERBKQPW-UHFFFAOYSA-N 0 0 392.459 3.011 20 30 GGEDRN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000275488962 1435142972 /nfs/dbraw/zinc/14/29/72/1435142972.db2.gz ZFRWVJSVOZTWBD-UGKGYDQZSA-N 0 0 396.491 3.104 20 30 GGEDRN COc1ccc(NC(=O)C(=O)N(CCC#N)Cc2ccco2)c(C(F)(F)F)c1 ZINC000275499551 1435143818 /nfs/dbraw/zinc/14/38/18/1435143818.db2.gz CYUPKFLKPHXZAE-UHFFFAOYSA-N 0 0 395.337 3.188 20 30 GGEDRN C=C[C@](C)(CCOC)C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000275511011 1435144669 /nfs/dbraw/zinc/14/46/69/1435144669.db2.gz UWWWUHYAWHSAAA-OAHLLOKOSA-N 0 0 390.793 3.247 20 30 GGEDRN COc1ccc(C(=O)CC(C)(C)CC(=O)NC[C@@H]2CCCN(CC#N)C2)cc1 ZINC000275545227 1435147211 /nfs/dbraw/zinc/14/72/11/1435147211.db2.gz MEMKDUYIJRCAFD-KRWDZBQOSA-N 0 0 385.508 3.036 20 30 GGEDRN CC(C)(C)[C@@H](CCO)NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000275604111 1435152113 /nfs/dbraw/zinc/15/21/13/1435152113.db2.gz IMBPWTNCXXGIDH-LJQANCHMSA-N 0 0 395.459 3.202 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c1C#N ZINC000275610139 1435152593 /nfs/dbraw/zinc/15/25/93/1435152593.db2.gz GQTWOOZIVQPRSW-KRWDZBQOSA-N 0 0 379.416 3.002 20 30 GGEDRN CCOC(C)(C)CN1C(=O)[C@H](CC(=O)NC)S/C1=N\[C@@H](C)c1cccs1 ZINC000275616142 1435153108 /nfs/dbraw/zinc/15/31/08/1435153108.db2.gz KQHOPKOTSVOKSB-POUSTFRKSA-N 0 0 397.566 3.060 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)ccc1Cl ZINC000275643359 1435155646 /nfs/dbraw/zinc/15/56/46/1435155646.db2.gz FDJLWMMTMDFPEL-QGZVFWFLSA-N 0 0 399.834 3.347 20 30 GGEDRN COc1ccc(Sc2ccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)cc2)cc1 ZINC000275660661 1435157329 /nfs/dbraw/zinc/15/73/29/1435157329.db2.gz HWFSAFQSOOMAFZ-CQSZACIVSA-N 0 0 383.473 3.403 20 30 GGEDRN CC(C)N(Cc1cccc(F)c1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000275665508 1435157930 /nfs/dbraw/zinc/15/79/30/1435157930.db2.gz BUUDLMCTMUQHSI-UHFFFAOYSA-N 0 0 385.443 3.025 20 30 GGEDRN C=C[C@@](C)(CCOC)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000275667976 1435158151 /nfs/dbraw/zinc/15/81/51/1435158151.db2.gz FRLHNWVXIPGHAY-FQEVSTJZSA-N 0 0 378.900 3.243 20 30 GGEDRN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)c2ccccc2O1 ZINC000275673750 1435158483 /nfs/dbraw/zinc/15/84/83/1435158483.db2.gz HNZRKMAYNLKXCI-OAHLLOKOSA-N 0 0 379.416 3.122 20 30 GGEDRN CCOC(C)(C)CN1C(=O)[C@@H](CC(=O)NC)S/C1=N/c1cccc(Cl)c1 ZINC000275671487 1435158583 /nfs/dbraw/zinc/15/85/83/1435158583.db2.gz PVMGFCTWTPOTGY-LQFHHUIYSA-N 0 0 397.928 3.223 20 30 GGEDRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)N(C)C[C@@H](C)C#N)cc1 ZINC000275673521 1435158597 /nfs/dbraw/zinc/15/85/97/1435158597.db2.gz JWBRBCWOYDNTED-HNNXBMFYSA-N 0 0 381.480 3.035 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1C#N ZINC000275690497 1435159862 /nfs/dbraw/zinc/15/98/62/1435159862.db2.gz MMDUOZSMWHVNPI-KRWDZBQOSA-N 0 0 379.416 3.002 20 30 GGEDRN Cc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1C#N ZINC000275698293 1435160732 /nfs/dbraw/zinc/16/07/32/1435160732.db2.gz KJDCEARKASOWJP-UHFFFAOYSA-N 0 0 378.476 3.308 20 30 GGEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)C[C@H](C)C#N ZINC000275701695 1435160891 /nfs/dbraw/zinc/16/08/91/1435160891.db2.gz OJWWILNXBPVDEI-OAHLLOKOSA-N 0 0 390.443 3.002 20 30 GGEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)C[C@@H](C)C#N ZINC000275701693 1435160980 /nfs/dbraw/zinc/16/09/80/1435160980.db2.gz OJWWILNXBPVDEI-HNNXBMFYSA-N 0 0 390.443 3.002 20 30 GGEDRN Cc1cc(NC(=O)C(=O)N(Cc2cccc(Cl)c2)C(C)C)nn1CCC#N ZINC000275710394 1435161854 /nfs/dbraw/zinc/16/18/54/1435161854.db2.gz MDGCDZCHYMCYQS-UHFFFAOYSA-N 0 0 387.871 3.134 20 30 GGEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1cccc(CSC)c1 ZINC000275718168 1435162439 /nfs/dbraw/zinc/16/24/39/1435162439.db2.gz IBIYKPBMCBIGEJ-UHFFFAOYSA-N 0 0 383.473 3.075 20 30 GGEDRN C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1-c1ccccc1 ZINC000275728937 1435163362 /nfs/dbraw/zinc/16/33/62/1435163362.db2.gz UGEWTLAIVDGHEH-OAHLLOKOSA-N 0 0 381.480 3.017 20 30 GGEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N([C@H](C)C(C)C)C2CC2)cc1 ZINC000275733097 1435163818 /nfs/dbraw/zinc/16/38/18/1435163818.db2.gz PFMWOHSWVJBBKJ-QGZVFWFLSA-N 0 0 397.519 3.475 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(Oc2ccc(CCOC)cc2)cc1 ZINC000275736854 1435164098 /nfs/dbraw/zinc/16/40/98/1435164098.db2.gz BCHKRJKTROTCAP-KRWDZBQOSA-N 0 0 395.459 3.415 20 30 GGEDRN Cc1cc(NC(=O)Nc2ccccc2OCCn2ccnc2)nn1CCC#N ZINC000275736671 1435164189 /nfs/dbraw/zinc/16/41/89/1435164189.db2.gz LCXWKMHYKUMZGF-UHFFFAOYSA-N 0 0 379.424 3.025 20 30 GGEDRN CC[C@H](CC#N)NC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000275744791 1435164932 /nfs/dbraw/zinc/16/49/32/1435164932.db2.gz CKNFCPLFLAAYOX-HUUCEWRRSA-N 0 0 393.871 3.035 20 30 GGEDRN N#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000275751036 1435165421 /nfs/dbraw/zinc/16/54/21/1435165421.db2.gz NZRMJOOOCYGHHK-IEBWSBKVSA-N 0 0 377.444 3.055 20 30 GGEDRN COCCOc1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c(C)c1 ZINC000275753639 1435165685 /nfs/dbraw/zinc/16/56/85/1435165685.db2.gz YQZVDZYDRFKYJR-UHFFFAOYSA-N 0 0 395.459 3.399 20 30 GGEDRN Cc1cc(NC(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)nn1CCC#N ZINC000275755933 1435166085 /nfs/dbraw/zinc/16/60/85/1435166085.db2.gz OUOYENSOHXXYEK-MRXNPFEDSA-N 0 0 382.468 3.142 20 30 GGEDRN CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000275755985 1435166136 /nfs/dbraw/zinc/16/61/36/1435166136.db2.gz FIMXTYQAIMNJCE-LBPRGKRZSA-N 0 0 389.506 3.053 20 30 GGEDRN CCOC(C)(C)CN1C(=O)[C@H](CC(=O)NC)S/C1=N\c1ccccc1Cl ZINC000275764080 1435166852 /nfs/dbraw/zinc/16/68/52/1435166852.db2.gz SGAHQYQYOPXQAM-NNLSSIJJSA-N 0 0 397.928 3.223 20 30 GGEDRN CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1 ZINC000275773049 1435167707 /nfs/dbraw/zinc/16/77/07/1435167707.db2.gz IGLYDHALHGCXHW-GOSISDBHSA-N 0 0 395.459 3.159 20 30 GGEDRN N#Cc1ccc(Oc2ccc(NC(=O)N(CCO)C3CCOCC3)cc2)cc1 ZINC000275772458 1435167709 /nfs/dbraw/zinc/16/77/09/1435167709.db2.gz QFQSPLDHPPVRHV-UHFFFAOYSA-N 0 0 381.432 3.356 20 30 GGEDRN Cc1cc(NC(=O)Nc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)nn1CCC#N ZINC000275786133 1435169135 /nfs/dbraw/zinc/16/91/35/1435169135.db2.gz HBSMXCWVPMLFFF-CALCHBBNSA-N 0 0 396.495 3.358 20 30 GGEDRN Cc1cc(NC(=O)Nc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)nn1CCC#N ZINC000275786136 1435169221 /nfs/dbraw/zinc/16/92/21/1435169221.db2.gz HBSMXCWVPMLFFF-IAGOWNOFSA-N 0 0 396.495 3.358 20 30 GGEDRN Cc1cc(NC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)nn1CCC#N ZINC000275788680 1435169599 /nfs/dbraw/zinc/16/95/99/1435169599.db2.gz HIIWOQQHKAGPKV-UHFFFAOYSA-N 0 0 386.843 3.295 20 30 GGEDRN C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cnccc1-c1ccc(C(F)(F)F)cc1 ZINC000275790461 1435169769 /nfs/dbraw/zinc/16/97/69/1435169769.db2.gz BSWGBTBYBDTWJU-GFCCVEGCSA-N 0 0 390.365 3.466 20 30 GGEDRN Cc1cc(NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)nn1CCC#N ZINC000275805101 1435171164 /nfs/dbraw/zinc/17/11/64/1435171164.db2.gz IWIDAYQKNRFHKE-IYBDPMFKSA-N 0 0 382.468 3.363 20 30 GGEDRN COCCCN(CCO)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000275806134 1435171350 /nfs/dbraw/zinc/17/13/50/1435171350.db2.gz XUWCXWDZAJDLGU-UHFFFAOYSA-N 0 0 399.447 3.222 20 30 GGEDRN CSCc1cccc(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)c1 ZINC000275816248 1435172166 /nfs/dbraw/zinc/17/21/66/1435172166.db2.gz ZDFVACNJNDIRFO-UHFFFAOYSA-N 0 0 397.500 3.463 20 30 GGEDRN Cc1cc(NC(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)nn1CCC#N ZINC000275815907 1435172168 /nfs/dbraw/zinc/17/21/68/1435172168.db2.gz KDMYAMSVCUOIHM-UHFFFAOYSA-N 0 0 394.357 3.041 20 30 GGEDRN COCCCN(CCO)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000275815806 1435172212 /nfs/dbraw/zinc/17/22/12/1435172212.db2.gz KADDNDHNKGARHE-UHFFFAOYSA-N 0 0 397.475 3.194 20 30 GGEDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000275819973 1435172507 /nfs/dbraw/zinc/17/25/07/1435172507.db2.gz DQKJWBDCGOUHES-HNNXBMFYSA-N 0 0 381.432 3.060 20 30 GGEDRN C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000275821792 1435172519 /nfs/dbraw/zinc/17/25/19/1435172519.db2.gz CIPSWQJPZWJJCR-FOIQADDNSA-N 0 0 377.444 3.357 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000275821742 1435172559 /nfs/dbraw/zinc/17/25/59/1435172559.db2.gz FSHPGOJTSLUXCN-OAHLLOKOSA-N 0 0 393.443 3.481 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@@H](CCO)c2ccccc2)c1 ZINC000275868055 1435175771 /nfs/dbraw/zinc/17/57/71/1435175771.db2.gz BMJFNSZBNVWDRK-FQEVSTJZSA-N 0 0 382.460 3.162 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)N(CCCO)[C@H]2CCc3ccccc32)c(Cl)c1 ZINC000275868045 1435175801 /nfs/dbraw/zinc/17/58/01/1435175801.db2.gz BMHHQHJGFZTEEQ-IBGZPJMESA-N 0 0 397.862 3.049 20 30 GGEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)c1 ZINC000275871243 1435175969 /nfs/dbraw/zinc/17/59/69/1435175969.db2.gz NFVQLRBAGDMUCQ-MRXNPFEDSA-N 0 0 395.459 3.054 20 30 GGEDRN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000275868746 1435176046 /nfs/dbraw/zinc/17/60/46/1435176046.db2.gz CGQRBMPSCKJNAT-IBGZPJMESA-N 0 0 379.460 3.316 20 30 GGEDRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000275868748 1435176063 /nfs/dbraw/zinc/17/60/63/1435176063.db2.gz CGQRBMPSCKJNAT-LJQANCHMSA-N 0 0 379.460 3.316 20 30 GGEDRN O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000275872234 1435176216 /nfs/dbraw/zinc/17/62/16/1435176216.db2.gz OSFXRBSUENUPKX-UHFFFAOYSA-N 0 0 382.239 3.111 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 ZINC000275880181 1435176748 /nfs/dbraw/zinc/17/67/48/1435176748.db2.gz PUDHWDMOKJYMNK-UHFFFAOYSA-N 0 0 392.459 3.311 20 30 GGEDRN CCO[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(OCC#N)c2)C12CCCCC2 ZINC000275883860 1435176990 /nfs/dbraw/zinc/17/69/90/1435176990.db2.gz DVQXJHRJONWZEO-OALUTQOASA-N 0 0 399.491 3.114 20 30 GGEDRN CCO[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(OCC#N)c2)C12CCCCC2 ZINC000275883857 1435176997 /nfs/dbraw/zinc/17/69/97/1435176997.db2.gz DVQXJHRJONWZEO-MOPGFXCFSA-N 0 0 399.491 3.114 20 30 GGEDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000275895151 1435177836 /nfs/dbraw/zinc/17/78/36/1435177836.db2.gz MKTTVCVLJACIBP-UHFFFAOYSA-N 0 0 395.459 3.452 20 30 GGEDRN Cc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(C)cc2)nn1CCC#N ZINC000275903979 1435178662 /nfs/dbraw/zinc/17/86/62/1435178662.db2.gz FYKOQHVAVJKFIV-SFHVURJKSA-N 0 0 379.464 3.106 20 30 GGEDRN Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccc(C)cc2)nn1CCC#N ZINC000275903974 1435178664 /nfs/dbraw/zinc/17/86/64/1435178664.db2.gz FYKOQHVAVJKFIV-GOSISDBHSA-N 0 0 379.464 3.106 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)ccc1F ZINC000275917417 1435179519 /nfs/dbraw/zinc/17/95/19/1435179519.db2.gz XLUVOBARKNAJBL-UHFFFAOYSA-N 0 0 380.423 3.441 20 30 GGEDRN Cc1cc(NC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)nn1CCC#N ZINC000275921485 1435179907 /nfs/dbraw/zinc/17/99/07/1435179907.db2.gz WZXUBVBVJLAFCI-UHFFFAOYSA-N 0 0 380.452 3.375 20 30 GGEDRN N#Cc1ccc(CSc2nnc(NC(=O)N(CCO)C3CCC3)s2)cc1 ZINC000275927467 1435180270 /nfs/dbraw/zinc/18/02/70/1435180270.db2.gz WQVNOXSWIXPNOX-UHFFFAOYSA-N 0 0 389.506 3.081 20 30 GGEDRN N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CCCO3)CC2)c(C(F)(F)F)c1 ZINC000275941856 1435181363 /nfs/dbraw/zinc/18/13/63/1435181363.db2.gz SRLTYAYLXUMRTG-HNNXBMFYSA-N 0 0 388.411 3.157 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)C1CC1 ZINC000275946381 1435181731 /nfs/dbraw/zinc/18/17/31/1435181731.db2.gz BDIMBUSODCNAPH-UHFFFAOYSA-N 0 0 399.491 3.490 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)Nc2ccc(OCC3CCOCC3)cc2)ccc1F ZINC000275949590 1435181947 /nfs/dbraw/zinc/18/19/47/1435181947.db2.gz FAJRTLZPOAJSNA-UHFFFAOYSA-N 0 0 397.406 3.080 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CCO[C@@H]2c2cccnc2)cc1C#N ZINC000275966201 1435182871 /nfs/dbraw/zinc/18/28/71/1435182871.db2.gz MDKQWEJKAPKAMF-ZWKOTPCHSA-N 0 0 395.419 3.173 20 30 GGEDRN CC(C)Oc1ccc(NC(=O)N[C@H]2CCCO[C@@H]2c2nccn2C)cc1C#N ZINC000275968377 1435182886 /nfs/dbraw/zinc/18/28/86/1435182886.db2.gz MHCDOYSGQYLSFB-WMZOPIPTSA-N 0 0 383.452 3.121 20 30 GGEDRN CC[C@@H](CN(CC)C(=O)C(=O)Nc1cc(C)n(CCC#N)n1)c1ccccc1 ZINC000275973294 1435183323 /nfs/dbraw/zinc/18/33/23/1435183323.db2.gz UYMWOWZLQGRKGI-KRWDZBQOSA-N 0 0 381.480 3.086 20 30 GGEDRN COc1cc(C)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H](C)CC#N)cc1F ZINC000275982284 1435183674 /nfs/dbraw/zinc/18/36/74/1435183674.db2.gz IQYJPJVYAZYFGC-ZDUSSCGKSA-N 0 0 385.395 3.292 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000275982286 1435183797 /nfs/dbraw/zinc/18/37/97/1435183797.db2.gz PNIOEJMOKYIRDF-UHFFFAOYSA-N 0 0 381.432 3.158 20 30 GGEDRN CCc1nc2c(s1)[C@@H](N(C)C(=O)C(=O)Nc1cc(C#N)ccc1OC)CCC2 ZINC000275993088 1435184335 /nfs/dbraw/zinc/18/43/35/1435184335.db2.gz QNSULJSUNGHPQJ-HNNXBMFYSA-N 0 0 398.488 3.060 20 30 GGEDRN CN(C(=O)C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000275993755 1435184523 /nfs/dbraw/zinc/18/45/23/1435184523.db2.gz FTXXVWGPOUBRQU-RTBURBONSA-N 0 0 381.407 3.015 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000276000480 1435184849 /nfs/dbraw/zinc/18/48/49/1435184849.db2.gz JAPLFWOPUJMOSW-LJQANCHMSA-N 0 0 393.443 3.233 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000276000477 1435184858 /nfs/dbraw/zinc/18/48/58/1435184858.db2.gz JAPLFWOPUJMOSW-IBGZPJMESA-N 0 0 393.443 3.233 20 30 GGEDRN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000276006829 1435185281 /nfs/dbraw/zinc/18/52/81/1435185281.db2.gz PNAMOHZTCNJEAZ-WMZOPIPTSA-N 0 0 383.452 3.214 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000276007734 1435185314 /nfs/dbraw/zinc/18/53/14/1435185314.db2.gz SCHGVWCIADUXLD-UHFFFAOYSA-N 0 0 381.432 3.134 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(OCC(C)(C)O)cc2)c1 ZINC000276017350 1435185801 /nfs/dbraw/zinc/18/58/01/1435185801.db2.gz KICYJCKSJVEVGO-UHFFFAOYSA-N 0 0 398.459 3.368 20 30 GGEDRN CC[C@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)C(C)(C)c1ccccc1 ZINC000276017516 1435185813 /nfs/dbraw/zinc/18/58/13/1435185813.db2.gz KKBBSPDZGQCMSO-IBGZPJMESA-N 0 0 379.460 3.400 20 30 GGEDRN N#CCCCOc1cccnc1NC(=O)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000276019021 1435185985 /nfs/dbraw/zinc/18/59/85/1435185985.db2.gz CAHFNMWLWWCAOH-UHFFFAOYSA-N 0 0 399.495 3.021 20 30 GGEDRN CCOCCOCc1cccc(NC(=O)C(=O)Nc2cccc(C)c2C#N)c1C ZINC000276030790 1435186546 /nfs/dbraw/zinc/18/65/46/1435186546.db2.gz VQACVMLPMMVSBJ-UHFFFAOYSA-N 0 0 395.459 3.305 20 30 GGEDRN CC(C)(C)Oc1cc(F)ccc1NC(=O)C(=O)N(CCC#N)Cc1ccccn1 ZINC000276029440 1435186579 /nfs/dbraw/zinc/18/65/79/1435186579.db2.gz QHQPCVNPXHRTNT-UHFFFAOYSA-N 0 0 398.438 3.279 20 30 GGEDRN CC(C)(C)OC(=O)C1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000276031498 1435186626 /nfs/dbraw/zinc/18/66/26/1435186626.db2.gz DWJXPYLEWNBAPF-UHFFFAOYSA-N 0 0 388.468 3.350 20 30 GGEDRN C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccccc1N1CCCCC1 ZINC000276037598 1435186985 /nfs/dbraw/zinc/18/69/85/1435186985.db2.gz WJIBGMDPJJDWKG-UHFFFAOYSA-N 0 0 381.476 3.466 20 30 GGEDRN CC(C)Oc1cccc([C@@H](O)CNC(=O)Nc2ncccc2OCCCC#N)c1 ZINC000276045219 1435187428 /nfs/dbraw/zinc/18/74/28/1435187428.db2.gz HHNIOQOQUPPAFJ-SFHVURJKSA-N 0 0 398.463 3.406 20 30 GGEDRN C[C@@H](O)CN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@H](C)CO ZINC000276048799 1435187623 /nfs/dbraw/zinc/18/76/23/1435187623.db2.gz OPSNENHYKVTYCX-ZIAGYGMSSA-N 0 0 387.411 3.085 20 30 GGEDRN CN(C(=O)C(=O)Nc1cccc(C#N)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000276055321 1435188094 /nfs/dbraw/zinc/18/80/94/1435188094.db2.gz KIJLNZMWQDTAAW-RBUKOAKNSA-N 0 0 381.407 3.015 20 30 GGEDRN CN(C(=O)C(=O)Nc1cccc(C#N)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000276055319 1435188105 /nfs/dbraw/zinc/18/81/05/1435188105.db2.gz KIJLNZMWQDTAAW-OALUTQOASA-N 0 0 381.407 3.015 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)NCCCCCCC(=O)OC)cc1C#N ZINC000276052699 1435188147 /nfs/dbraw/zinc/18/81/47/1435188147.db2.gz HQRUNLNYOYBSBX-UHFFFAOYSA-N 0 0 390.440 3.372 20 30 GGEDRN CC[C@@]1(C)CN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)CCO1 ZINC000276067591 1435189052 /nfs/dbraw/zinc/18/90/52/1435189052.db2.gz GNXCWFFHTNIGPX-KUHUBIRLSA-N 0 0 375.494 3.047 20 30 GGEDRN CCCCOCCOCc1cccc(NC(=O)C(=O)Nc2cccc(C#N)c2)c1 ZINC000276079336 1435189589 /nfs/dbraw/zinc/18/95/89/1435189589.db2.gz UCVNVIDVUHNEAM-UHFFFAOYSA-N 0 0 395.459 3.469 20 30 GGEDRN C=CCCN(C)C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000276082061 1435189786 /nfs/dbraw/zinc/18/97/86/1435189786.db2.gz BJTWBCZPVGIXKW-IYBDPMFKSA-N 0 0 394.537 3.010 20 30 GGEDRN C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)c1ccc([S@@](C)=O)cc1 ZINC000276088305 1435190366 /nfs/dbraw/zinc/19/03/66/1435190366.db2.gz PCSHPOAEOPPSCS-LOKFHWFJSA-N 0 0 386.477 3.384 20 30 GGEDRN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000276093466 1435190507 /nfs/dbraw/zinc/19/05/07/1435190507.db2.gz WCTGZNNOZZSKEK-PXNSSMCTSA-N 0 0 397.479 3.348 20 30 GGEDRN C=CCN(C(=O)C(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000276100530 1435190934 /nfs/dbraw/zinc/19/09/34/1435190934.db2.gz NLTANWRDGRLIGB-UHFFFAOYSA-N 0 0 392.381 3.066 20 30 GGEDRN Cc1ccc([C@@H]2CSCCN2C(=O)C(=O)Nc2cccc(OCC#N)c2)cc1 ZINC000276111584 1435191652 /nfs/dbraw/zinc/19/16/52/1435191652.db2.gz GYKUQMJRNUHYOT-IBGZPJMESA-N 0 0 395.484 3.153 20 30 GGEDRN CN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ncccc1OCCCC#N ZINC000276111670 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GGEDRN N#Cc1ccc(NC(=O)C(=O)Nc2ccc(OCC3CCOCC3)cc2)c(F)c1 ZINC000276129212 1435192875 /nfs/dbraw/zinc/19/28/75/1435192875.db2.gz SVKDKZDWQIQQCK-UHFFFAOYSA-N 0 0 397.406 3.080 20 30 GGEDRN Cc1ccc(CN(C(=O)C(=O)Nc2cccc(OCC#N)c2)C2CC2)cc1C ZINC000276139128 1435193332 /nfs/dbraw/zinc/19/33/32/1435193332.db2.gz UIGJNCQUDIQRJY-UHFFFAOYSA-N 0 0 377.444 3.336 20 30 GGEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000276146742 1435193850 /nfs/dbraw/zinc/19/38/50/1435193850.db2.gz QXEOZWWIIXMYDQ-ICSRJNTNSA-N 0 0 395.434 3.323 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276189754 1435196432 /nfs/dbraw/zinc/19/64/32/1435196432.db2.gz MBGOUYSBPVYGOJ-CYBMUJFWSA-N 0 0 382.376 3.181 20 30 GGEDRN C#Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000276224585 1435198704 /nfs/dbraw/zinc/19/87/04/1435198704.db2.gz XGZOQGGYJLMUBK-UXHICEINSA-N 0 0 380.419 3.124 20 30 GGEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)NOC[C@@H]2CCOC2)cc1 ZINC000276231621 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ZINC000277212695 1435279348 /nfs/dbraw/zinc/27/93/48/1435279348.db2.gz HKSMTICAJPFOOF-INIZCTEOSA-N 0 0 378.538 3.055 20 30 GGEDRN CC[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000277216972 1435279506 /nfs/dbraw/zinc/27/95/06/1435279506.db2.gz MVJOAVPLLKZEBB-VQTJNVASSA-N 0 0 376.460 3.110 20 30 GGEDRN CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2ccccc2OCC#N)n1 ZINC000277239005 1435283175 /nfs/dbraw/zinc/28/31/75/1435283175.db2.gz OVDIFOGIIPRWHV-OAHLLOKOSA-N 0 0 385.445 3.199 20 30 GGEDRN Cc1noc(C[C@H](NCC(=O)Nc2sc(C)c(C)c2C#N)c2ccccc2)n1 ZINC000277245745 1435284183 /nfs/dbraw/zinc/28/41/83/1435284183.db2.gz PWNGQXKTNSBHKE-KRWDZBQOSA-N 0 0 395.488 3.440 20 30 GGEDRN Cc1noc(C[C@@H](NCC(=O)Nc2sc(C)c(C)c2C#N)c2ccccc2)n1 ZINC000277245748 1435284466 /nfs/dbraw/zinc/28/44/66/1435284466.db2.gz PWNGQXKTNSBHKE-QGZVFWFLSA-N 0 0 395.488 3.440 20 30 GGEDRN CCc1c(NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cnn1CCC(C)C ZINC000277257462 1435285437 /nfs/dbraw/zinc/28/54/37/1435285437.db2.gz QAOXRNZMAOMKIK-HNNXBMFYSA-N 0 0 381.480 3.179 20 30 GGEDRN N#Cc1ncccc1S(=O)(=O)N1CCCCC[C@H]1CC(=O)c1cccs1 ZINC000277261405 1435286207 /nfs/dbraw/zinc/28/62/07/1435286207.db2.gz WXZUMUFFWJWTFO-AWEZNQCLSA-N 0 0 389.502 3.221 20 30 GGEDRN COC(=O)c1cc(NC(=O)N(CCC#N)Cc2ccccn2)c(C)c([N+](=O)[O-])c1 ZINC000277260118 1435286365 /nfs/dbraw/zinc/28/63/65/1435286365.db2.gz QQTCXZHBTZFVNP-UHFFFAOYSA-N 0 0 397.391 3.033 20 30 GGEDRN C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCS(=O)(=O)C1 ZINC000277286784 1435289505 /nfs/dbraw/zinc/28/95/05/1435289505.db2.gz AHVXNZMUUNKUIZ-HNNXBMFYSA-N 0 0 399.472 3.249 20 30 GGEDRN C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCS(=O)(=O)C1 ZINC000277311435 1435292691 /nfs/dbraw/zinc/29/26/91/1435292691.db2.gz CXLDRTAYOGSAPM-HNNXBMFYSA-N 0 0 399.472 3.249 20 30 GGEDRN C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCS(=O)(=O)C1 ZINC000277311442 1435292694 /nfs/dbraw/zinc/29/26/94/1435292694.db2.gz CXLDRTAYOGSAPM-OAHLLOKOSA-N 0 0 399.472 3.249 20 30 GGEDRN C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)CCCCOc1cccc(C#N)c1 ZINC000277347842 1435296951 /nfs/dbraw/zinc/29/69/51/1435296951.db2.gz ZKYIEFYBFDDEPW-HNNXBMFYSA-N 0 0 375.469 3.137 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000277408214 1435302691 /nfs/dbraw/zinc/30/26/91/1435302691.db2.gz HNBWXDPVMYDTJQ-UONOGXRCSA-N 0 0 391.468 3.071 20 30 GGEDRN N#Cc1ccnc(N2CCC(O)(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000277413262 1435302929 /nfs/dbraw/zinc/30/29/29/1435302929.db2.gz LAEQJWLMHVLDIA-UHFFFAOYSA-N 0 0 392.337 3.368 20 30 GGEDRN N#Cc1ccc(Oc2ccc(OCc3nnnn3CC3CCOCC3)cc2)cc1 ZINC000277416733 1435303370 /nfs/dbraw/zinc/30/33/70/1435303370.db2.gz FARDINGDTFCUJQ-UHFFFAOYSA-N 0 0 391.431 3.343 20 30 GGEDRN C=C(C)[C@@H](NC(=O)NC1CCN(c2cccnn2)CC1)c1ccc(F)c(F)c1 ZINC000277424564 1435303713 /nfs/dbraw/zinc/30/37/13/1435303713.db2.gz HMSVPXKARFJVFN-LJQANCHMSA-N 0 0 387.434 3.340 20 30 GGEDRN C#CC[C@]1(C(=O)Nc2ccc3c(c2)CCC(=O)N3)CCCN1C(=O)OC(C)(C)C ZINC000277433614 1435304510 /nfs/dbraw/zinc/30/45/10/1435304510.db2.gz NCSGYIRKLZUJFA-JOCHJYFZSA-N 0 0 397.475 3.303 20 30 GGEDRN C[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC[S@]1=O ZINC000277449801 1435305522 /nfs/dbraw/zinc/30/55/22/1435305522.db2.gz FWOFWJNUHOTXNY-RKOGDMNLSA-N 0 0 382.485 3.120 20 30 GGEDRN CC[C@H](C)c1nnc([C@@H](C)NC(=O)Nc2cc(C#N)ccc2OCCOC)[nH]1 ZINC000277456995 1435305837 /nfs/dbraw/zinc/30/58/37/1435305837.db2.gz QASNLJHAAKJXIA-QWHCGFSZSA-N 0 0 386.456 3.098 20 30 GGEDRN N#Cc1ccc(-c2ccccc2)nc1SCc1nnnn1CC1CCOCC1 ZINC000277457012 1435305911 /nfs/dbraw/zinc/30/59/11/1435305911.db2.gz IMHQLOCJYJWYLU-UHFFFAOYSA-N 0 0 392.488 3.326 20 30 GGEDRN CCOC(COCCNC(=O)c1ccccc1Oc1ccccc1C#N)OCC ZINC000277458288 1435306010 /nfs/dbraw/zinc/30/60/10/1435306010.db2.gz KHDITEXZPSVLPI-UHFFFAOYSA-N 0 0 398.459 3.496 20 30 GGEDRN CCOC1CC(CNc2ccc(C(F)(F)F)cc2C#N)(N2CCOCC2)C1 ZINC000277503977 1435308862 /nfs/dbraw/zinc/30/88/62/1435308862.db2.gz BCTBOPGEOCYRFH-UHFFFAOYSA-N 0 0 383.414 3.259 20 30 GGEDRN N#Cc1ccc(N2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)CC2)c(Cl)c1 ZINC000277510209 1435309269 /nfs/dbraw/zinc/30/92/69/1435309269.db2.gz FNTYJNCNBKPFMI-UHFFFAOYSA-N 0 0 396.878 3.153 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)Nc2ccc(N3CCCCC3)nc2)ccc1Cl ZINC000277517213 1435309749 /nfs/dbraw/zinc/30/97/49/1435309749.db2.gz LKURVIVMELVJKP-UHFFFAOYSA-N 0 0 383.839 3.174 20 30 GGEDRN C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@H](O)CCOCC ZINC000277521911 1435310192 /nfs/dbraw/zinc/31/01/92/1435310192.db2.gz OCVHYUKTXJFNAW-MRXNPFEDSA-N 0 0 377.510 3.231 20 30 GGEDRN CC[C@@H](C)[C@@H](NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C(F)(F)F ZINC000277521054 1435310270 /nfs/dbraw/zinc/31/02/70/1435310270.db2.gz GMDBRKDLDNXNAV-QLJPJBMISA-N 0 0 381.402 3.244 20 30 GGEDRN Cc1cc(NC(=O)C(=O)Nc2ccc(F)cc2C#N)cnc1N1CCCC[C@@H]1C ZINC000277530721 1435310869 /nfs/dbraw/zinc/31/08/69/1435310869.db2.gz MLNGVICFKFOHCF-AWEZNQCLSA-N 0 0 395.438 3.357 20 30 GGEDRN N#CCOc1cccc(NC(=O)NC[C@H]2CSCCN2Cc2ccccc2)c1 ZINC000277539725 1435311325 /nfs/dbraw/zinc/31/13/25/1435311325.db2.gz UBVNFXATZBCINJ-IBGZPJMESA-N 0 0 396.516 3.328 20 30 GGEDRN CCc1noc2ncc(C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)cc12 ZINC000277541001 1435311544 /nfs/dbraw/zinc/31/15/44/1435311544.db2.gz IHGUWAYTBJRIOW-UHFFFAOYSA-N 0 0 395.850 3.273 20 30 GGEDRN CC[C@@]1(C)Oc2ccc(NC(=O)C(=O)NC3(c4cccc(C#N)c4)CC3)cc2O1 ZINC000277552058 1435312316 /nfs/dbraw/zinc/31/23/16/1435312316.db2.gz OIVXBUVEEQNKCY-NRFANRHFSA-N 0 0 391.427 3.200 20 30 GGEDRN Cc1cc(NC(=O)C(=O)Nc2ccc(C#N)cc2)cnc1N1CCCC[C@H]1C ZINC000277558642 1435312695 /nfs/dbraw/zinc/31/26/95/1435312695.db2.gz PDDUDQGJLGCYPN-OAHLLOKOSA-N 0 0 377.448 3.218 20 30 GGEDRN CCN(CC)C(=O)c1cccc(NC(=O)COc2ccc(C#N)c(OC)c2)c1 ZINC000277560017 1435312985 /nfs/dbraw/zinc/31/29/85/1435312985.db2.gz INSCFBOFHAEDQS-UHFFFAOYSA-N 0 0 381.432 3.066 20 30 GGEDRN CS(=O)(=O)[C@@H]1CCCCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000277573018 1435313711 /nfs/dbraw/zinc/31/37/11/1435313711.db2.gz BNNIEZZHYWAJJF-QGZVFWFLSA-N 0 0 398.484 3.390 20 30 GGEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3CCCc4cccnc43)CC2)c1 ZINC000277582421 1435314372 /nfs/dbraw/zinc/31/43/72/1435314372.db2.gz KOWSSVNKKKPNIE-HXUWFJFHSA-N 0 0 388.471 3.250 20 30 GGEDRN N#CCOc1cccc(CC(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c1 ZINC000277604698 1435315802 /nfs/dbraw/zinc/31/58/02/1435315802.db2.gz QGNSIVHZELMJGX-GGAORHGYSA-N 0 0 396.462 3.161 20 30 GGEDRN Cn1c2ccc(NC(=O)C(=O)NC3(c4cccc(C#N)c4)CC3)cc2nc1C1CC1 ZINC000277612543 1435316448 /nfs/dbraw/zinc/31/64/48/1435316448.db2.gz VMMGNPBOHNAKIE-UHFFFAOYSA-N 0 0 399.454 3.066 20 30 GGEDRN Cc1cc(NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cnc1N1CCCC[C@@H]1C ZINC000277616275 1435316703 /nfs/dbraw/zinc/31/67/03/1435316703.db2.gz VTRSGORPHWYJCY-AWEZNQCLSA-N 0 0 395.438 3.357 20 30 GGEDRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000277639128 1435318299 /nfs/dbraw/zinc/31/82/99/1435318299.db2.gz DBQCZJJSJNFKDQ-INIZCTEOSA-N 0 0 375.469 3.356 20 30 GGEDRN N#CCCn1cc(C(=O)CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c2ccccc21 ZINC000277639487 1435318318 /nfs/dbraw/zinc/31/83/18/1435318318.db2.gz BZAACOJHAWQXFB-IFXJQAMLSA-N 0 0 393.409 3.373 20 30 GGEDRN N#CCCn1cc(C(=O)CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c2ccccc21 ZINC000277639493 1435318347 /nfs/dbraw/zinc/31/83/47/1435318347.db2.gz BZAACOJHAWQXFB-LIRRHRJNSA-N 0 0 393.409 3.373 20 30 GGEDRN Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N2CCCC(C)(C)[C@H]2C#N)c1 ZINC000277644880 1435318680 /nfs/dbraw/zinc/31/86/80/1435318680.db2.gz YICWBZZQBSSGNT-QGZVFWFLSA-N 0 0 382.420 3.095 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000277668595 1435320534 /nfs/dbraw/zinc/32/05/34/1435320534.db2.gz HHJKVHKNLYYTOC-HZPDHXFCSA-N 0 0 398.536 3.462 20 30 GGEDRN Cc1noc2nc(C)cc(C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)c12 ZINC000277673300 1435320981 /nfs/dbraw/zinc/32/09/81/1435320981.db2.gz KTKCGARRPIDHGL-UHFFFAOYSA-N 0 0 395.850 3.327 20 30 GGEDRN CC(C)(C#N)CCCCn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O ZINC000277699714 1435322955 /nfs/dbraw/zinc/32/29/55/1435322955.db2.gz MLVMNLWQYLDBBS-UHFFFAOYSA-N 0 0 380.408 3.210 20 30 GGEDRN C#CCN1CCC(c2nc(Cc3cn4cc(Cl)cc(Cl)c4n3)no2)CC1 ZINC000277715159 1435324084 /nfs/dbraw/zinc/32/40/84/1435324084.db2.gz AJOXDYGGYZIBEN-UHFFFAOYSA-N 0 0 390.274 3.428 20 30 GGEDRN N#CCCN(CCC#N)C(=O)CN[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000277741360 1435326228 /nfs/dbraw/zinc/32/62/28/1435326228.db2.gz IDKKQHJPEVQJTK-OAHLLOKOSA-N 0 0 390.768 3.328 20 30 GGEDRN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1C ZINC000277744823 1435326512 /nfs/dbraw/zinc/32/65/12/1435326512.db2.gz LCKVDPMWKVIJEF-VQIMIIECSA-N 0 0 397.441 3.185 20 30 GGEDRN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277756246 1435327534 /nfs/dbraw/zinc/32/75/34/1435327534.db2.gz JUAMLASORMAZRY-UONOGXRCSA-N 0 0 397.445 3.339 20 30 GGEDRN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000277778839 1435329590 /nfs/dbraw/zinc/32/95/90/1435329590.db2.gz NQGZRIMOHGONGR-SFHVURJKSA-N 0 0 377.488 3.202 20 30 GGEDRN CC[C@H](C)c1nnc([C@@H](C)NC(=O)CCC(=O)N(CCC#N)c2ccccc2)[nH]1 ZINC000277781796 1435329646 /nfs/dbraw/zinc/32/96/46/1435329646.db2.gz JJGHXVDEOYIQRQ-JKSUJKDBSA-N 0 0 396.495 3.222 20 30 GGEDRN CC[C@H](C)c1nnc([C@H](C)NC(=O)CCCC(=O)Nc2ccccc2C#N)[nH]1 ZINC000277820687 1435333633 /nfs/dbraw/zinc/33/36/33/1435333633.db2.gz LRMAJMZEQMEDPP-KBPBESRZSA-N 0 0 382.468 3.176 20 30 GGEDRN Cc1noc2ncc(C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)cc12 ZINC000277823019 1435333835 /nfs/dbraw/zinc/33/38/35/1435333835.db2.gz YDAPJZZQYPTZSV-UHFFFAOYSA-N 0 0 381.823 3.019 20 30 GGEDRN COc1cc(C#N)ccc1OCCCc1nc(-c2nnc(SC)s2)no1 ZINC000277841338 1435335188 /nfs/dbraw/zinc/33/51/88/1435335188.db2.gz CRMSJFGTUKNWEK-UHFFFAOYSA-N 0 0 389.462 3.202 20 30 GGEDRN CC(C)(C#N)CCCC[S@](=O)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000277844506 1435335388 /nfs/dbraw/zinc/33/53/88/1435335388.db2.gz KWXVKEOLHLMQHG-SANMLTNESA-N 0 0 375.450 3.434 20 30 GGEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1ccc(OC)c(C2CC2)c1 ZINC000277847022 1435335646 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COc1ccc(CNc2ccc(-c3cnn(C)c3)nn2)cc1OCCCC#N ZINC000278894052 1435436535 /nfs/dbraw/zinc/43/65/35/1435436535.db2.gz XQLHPYJHPMMZCI-UHFFFAOYSA-N 0 0 378.436 3.180 20 30 GGEDRN CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000278917151 1435439729 /nfs/dbraw/zinc/43/97/29/1435439729.db2.gz CBEPRFRNYBUNJL-MRXNPFEDSA-N 0 0 396.447 3.343 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)n1 ZINC000278917914 1435439807 /nfs/dbraw/zinc/43/98/07/1435439807.db2.gz IBRZPKFXKFYJBD-NRFANRHFSA-N 0 0 394.519 3.018 20 30 GGEDRN CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000278936943 1435442246 /nfs/dbraw/zinc/44/22/46/1435442246.db2.gz CQRXTIPBAGTMKP-INIZCTEOSA-N 0 0 396.447 3.295 20 30 GGEDRN C=CCN(C(=O)CCC[C@H](C)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000278940519 1435442858 /nfs/dbraw/zinc/44/28/58/1435442858.db2.gz FKZDDQWOPWSMLC-WMZOPIPTSA-N 0 0 379.522 3.171 20 30 GGEDRN Cc1cnccc1OC1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000278951711 1435444286 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GGEDRN C#CCn1ccc(CN(CC)C(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)n1 ZINC000279131309 1435463466 /nfs/dbraw/zinc/46/34/66/1435463466.db2.gz NFLSSRHMWROHPC-UHFFFAOYSA-N 0 0 381.867 3.326 20 30 GGEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@]2(O)CCO[C@@H]2C)cc1 ZINC000279131957 1435463542 /nfs/dbraw/zinc/46/35/42/1435463542.db2.gz RARURQZUGQXUIQ-SPLOXXLWSA-N 0 0 397.431 3.021 20 30 GGEDRN Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279134843 1435463976 /nfs/dbraw/zinc/46/39/76/1435463976.db2.gz AFJWZFCHHWVDTR-HNNXBMFYSA-N 0 0 377.404 3.093 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccc(C(=O)N[C@H](C)CC)cc2)n1 ZINC000279144384 1435464900 /nfs/dbraw/zinc/46/49/00/1435464900.db2.gz SCRKQYXUQVCZGI-MRXNPFEDSA-N 0 0 381.480 3.099 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000279162412 1435466296 /nfs/dbraw/zinc/46/62/96/1435466296.db2.gz DXFXYMAXAGOKAJ-INIZCTEOSA-N 0 0 393.491 3.158 20 30 GGEDRN C[C@H]1OCC[C@]12CN(C(=O)c1ccc(COc3ccccc3C#N)o1)C[C@@H](C)O2 ZINC000279181688 1435468258 /nfs/dbraw/zinc/46/82/58/1435468258.db2.gz BRWSYYACLJABPY-MCFFVMPBSA-N 0 0 396.443 3.139 20 30 GGEDRN C[C@H]1OCC[C@@]12CN(C(=O)c1occc1COc1cccc(C#N)c1)C[C@@H](C)O2 ZINC000279187295 1435468946 /nfs/dbraw/zinc/46/89/46/1435468946.db2.gz CBOSYQYLEXMQQV-XCGNWRKASA-N 0 0 396.443 3.139 20 30 GGEDRN C[C@@H]1OCC[C@@]12CN(C(=O)c1occc1COc1cccc(C#N)c1)C[C@@H](C)O2 ZINC000279187296 1435469005 /nfs/dbraw/zinc/46/90/05/1435469005.db2.gz CBOSYQYLEXMQQV-ZMPRRUGASA-N 0 0 396.443 3.139 20 30 GGEDRN CCOc1ccc(N(CCC#N)C(=O)CN2CCc3ccccc3C2=O)cc1 ZINC000279201667 1435470814 /nfs/dbraw/zinc/47/08/14/1435470814.db2.gz KAZDKARHJOCIIB-UHFFFAOYSA-N 0 0 377.444 3.030 20 30 GGEDRN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)C(=O)Nc3cccc(OCC#N)c3)C2)cc1 ZINC000279217706 1435472773 /nfs/dbraw/zinc/47/27/73/1435472773.db2.gz OTORNJIYAYSMGQ-SJLPKXTDSA-N 0 0 377.444 3.241 20 30 GGEDRN CCOC(=O)[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000279220299 1435473050 /nfs/dbraw/zinc/47/30/50/1435473050.db2.gz QDQVIMPLNGVOFU-OAQYLSRUSA-N 0 0 393.443 3.088 20 30 GGEDRN C=CC[C@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1-c1nc(C)no1 ZINC000279236411 1435475182 /nfs/dbraw/zinc/47/51/82/1435475182.db2.gz PHHLQTNECQGLFD-VIFPVBQESA-N 0 0 382.342 3.083 20 30 GGEDRN C=CC[C@@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1-c1nc(C)no1 ZINC000279236392 1435475197 /nfs/dbraw/zinc/47/51/97/1435475197.db2.gz PHHLQTNECQGLFD-SECBINFHSA-N 0 0 382.342 3.083 20 30 GGEDRN C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1cccc(N2CCOC2=O)c1 ZINC000279263688 1435479061 /nfs/dbraw/zinc/47/90/61/1435479061.db2.gz IKVBEBQLEFQMDL-KXBFYZLASA-N 0 0 388.427 3.075 20 30 GGEDRN N#Cc1ccc(C[C@H](C#N)C(=O)NCc2cccc(OCC(F)(F)F)c2)cc1 ZINC000279263684 1435479131 /nfs/dbraw/zinc/47/91/31/1435479131.db2.gz IKUPKSFMXWWVPH-QGZVFWFLSA-N 0 0 387.361 3.498 20 30 GGEDRN C[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000279306265 1435484283 /nfs/dbraw/zinc/48/42/83/1435484283.db2.gz MRLVAOZUWZMZPQ-DNVCBOLYSA-N 0 0 388.427 3.075 20 30 GGEDRN COC(=O)c1nc([C@H]2CCCN2C(=O)/C=C/c2ccccc2C#N)sc1C ZINC000279323666 1435486371 /nfs/dbraw/zinc/48/63/71/1435486371.db2.gz BKHKPIBJSUGJKV-ZNFPLGDCSA-N 0 0 381.457 3.487 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000279327843 1435487028 /nfs/dbraw/zinc/48/70/28/1435487028.db2.gz DUMNLPCFXCXFJR-FQEVSTJZSA-N 0 0 376.456 3.110 20 30 GGEDRN Cc1cccnc1OC1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000279330232 1435487380 /nfs/dbraw/zinc/48/73/80/1435487380.db2.gz TWNDPSAXTRQVPT-UHFFFAOYSA-N 0 0 375.432 3.355 20 30 GGEDRN C[C@@H]1CN(c2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 ZINC000279332334 1435487592 /nfs/dbraw/zinc/48/75/92/1435487592.db2.gz OYJLMZDQZLOJKP-MBOZVWFJSA-N 0 0 388.471 3.493 20 30 GGEDRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(F)c(C#N)c2)c1C ZINC000279336522 1435487984 /nfs/dbraw/zinc/48/79/84/1435487984.db2.gz DFBMKOFSMPPLAA-SFHVURJKSA-N 0 0 383.448 3.468 20 30 GGEDRN COc1ccc(C(C)(C)CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1OC ZINC000279341000 1435488321 /nfs/dbraw/zinc/48/83/21/1435488321.db2.gz PRTZORICULIYML-GOSISDBHSA-N 0 0 391.471 3.352 20 30 GGEDRN Cc1c(NC(=O)NCc2ccc(OCC#N)cc2)cccc1NC(=O)N(C)C ZINC000279338924 1435488341 /nfs/dbraw/zinc/48/83/41/1435488341.db2.gz CKOROGUWPDBBAV-UHFFFAOYSA-N 0 0 381.436 3.313 20 30 GGEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC000279350088 1435489519 /nfs/dbraw/zinc/48/95/19/1435489519.db2.gz QJOFPHJTGKPLHK-IBGZPJMESA-N 0 0 395.466 3.231 20 30 GGEDRN COc1ccc(CCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1OC(F)F ZINC000279359692 1435491110 /nfs/dbraw/zinc/49/11/10/1435491110.db2.gz QWZZLHFBMFNBGC-QGZVFWFLSA-N 0 0 399.397 3.209 20 30 GGEDRN Cc1c(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cccc1C(=O)N1CCCC1 ZINC000279365165 1435491579 /nfs/dbraw/zinc/49/15/79/1435491579.db2.gz RJYBTCRZGOCECC-LJQANCHMSA-N 0 0 386.455 3.424 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)N[C@H](C)[C@H](OC)c2ccc(Cl)cc2)n1 ZINC000279367659 1435491734 /nfs/dbraw/zinc/49/17/34/1435491734.db2.gz DSZDIXCHUMXSPW-BEFAXECRSA-N 0 0 388.899 3.477 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)N[C@@H](C)[C@H](OC)c2ccc(Cl)cc2)n1 ZINC000279367665 1435491760 /nfs/dbraw/zinc/49/17/60/1435491760.db2.gz DSZDIXCHUMXSPW-KXBFYZLASA-N 0 0 388.899 3.477 20 30 GGEDRN C[C@@H]1OCC[C@@]12CN(C(=O)c1ccccc1Oc1ccccc1C#N)CCO2 ZINC000279373768 1435492580 /nfs/dbraw/zinc/49/25/80/1435492580.db2.gz HTHVBLQPOSWWQK-KSFYIVLOSA-N 0 0 378.428 3.371 20 30 GGEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCCC1(C)CC1 ZINC000279392076 1435494224 /nfs/dbraw/zinc/49/42/24/1435494224.db2.gz AAMRBMZYWWKNIS-UHFFFAOYSA-N 0 0 378.432 3.299 20 30 GGEDRN COc1cc(C)c([C@@H](C)NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1OC ZINC000279396905 1435494816 /nfs/dbraw/zinc/49/48/16/1435494816.db2.gz UUITXDVGZVRXAM-QAPCUYQASA-N 0 0 377.444 3.444 20 30 GGEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)C1(C)C ZINC000279402805 1435495620 /nfs/dbraw/zinc/49/56/20/1435495620.db2.gz LDUUJZZZUSVEOF-LBPRGKRZSA-N 0 0 384.402 3.243 20 30 GGEDRN CO[C@]1(C)CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000279409118 1435496066 /nfs/dbraw/zinc/49/60/66/1435496066.db2.gz VSXKWRNVODQLSZ-OAQYLSRUSA-N 0 0 384.480 3.057 20 30 GGEDRN CNC(=O)CC1S/C(=N\c2cc(C)ccc2C)N(C[C@H]2CCSC2)C1=O ZINC000279407049 1435496101 /nfs/dbraw/zinc/49/61/01/1435496101.db2.gz JAULGYWEVLHFPW-PTJNZFQRSA-N 0 0 391.562 3.124 20 30 GGEDRN C=C(C)COc1cccc(NC(=O)C(=O)N2CCC(c3ccnn3CC)CC2)c1 ZINC000279409233 1435496294 /nfs/dbraw/zinc/49/62/94/1435496294.db2.gz IICCAESUZPXESP-UHFFFAOYSA-N 0 0 396.491 3.203 20 30 GGEDRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000279414234 1435496815 /nfs/dbraw/zinc/49/68/15/1435496815.db2.gz JEHAURHBANSCGS-MRXNPFEDSA-N 0 0 396.447 3.295 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(OC)c(OC)cc1OC ZINC000279422999 1435497563 /nfs/dbraw/zinc/49/75/63/1435497563.db2.gz ANFJUHCJKSVKNE-UHFFFAOYSA-N 0 0 398.459 3.256 20 30 GGEDRN C[C@@H]1OCC[C@]12CN(C(=O)c1cccc(OCc3ccccc3C#N)c1)CCO2 ZINC000279437887 1435499497 /nfs/dbraw/zinc/49/94/97/1435499497.db2.gz LTYDFCVKQLNPMR-SBUREZEXSA-N 0 0 392.455 3.157 20 30 GGEDRN CCCCCN(CCCOC)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000279440031 1435499783 /nfs/dbraw/zinc/49/97/83/1435499783.db2.gz PCQPUZNVAFGDHM-UHFFFAOYSA-N 0 0 376.501 3.109 20 30 GGEDRN CC(C)NC(=O)Nc1ccc(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279442735 1435500075 /nfs/dbraw/zinc/50/00/75/1435500075.db2.gz YSUWERPVLKRXCJ-LJQANCHMSA-N 0 0 389.459 3.087 20 30 GGEDRN Cc1nc(N2CCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)sc1C ZINC000279457675 1435501399 /nfs/dbraw/zinc/50/13/99/1435501399.db2.gz MNUILBALZZBEMS-UHFFFAOYSA-N 0 0 393.472 3.249 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000279461177 1435501931 /nfs/dbraw/zinc/50/19/31/1435501931.db2.gz NCGRKTHTPJENBP-UHFFFAOYSA-N 0 0 392.546 3.058 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)NCc1cccnc1N1CCOCC1 ZINC000279460217 1435501941 /nfs/dbraw/zinc/50/19/41/1435501941.db2.gz COZCFPDHBMSWFA-UHFFFAOYSA-N 0 0 380.492 3.206 20 30 GGEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1C[C@H](C)O ZINC000279482274 1435504054 /nfs/dbraw/zinc/50/40/54/1435504054.db2.gz FVRDQSPDSWGHTQ-XHSDSOJGSA-N 0 0 389.521 3.171 20 30 GGEDRN COC[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)[C@H]1CCCO1 ZINC000279489721 1435504975 /nfs/dbraw/zinc/50/49/75/1435504975.db2.gz OOFXRSMPDLHBQU-PZJWPPBQSA-N 0 0 380.444 3.061 20 30 GGEDRN C[C@@H](O)CCCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000279498293 1435506253 /nfs/dbraw/zinc/50/62/53/1435506253.db2.gz VTDFKVOMIAMVIE-RDTXWAMCSA-N 0 0 399.878 3.211 20 30 GGEDRN C=CCCCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1-c1nc(C)no1 ZINC000279501633 1435506574 /nfs/dbraw/zinc/50/65/74/1435506574.db2.gz ZGKPCIJHUMARPE-UHFFFAOYSA-N 0 0 396.369 3.475 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)n1 ZINC000279505426 1435507103 /nfs/dbraw/zinc/50/71/03/1435507103.db2.gz OJVLSVVFPDBJFK-CTNGQTDRSA-N 0 0 380.492 3.216 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000279505429 1435507146 /nfs/dbraw/zinc/50/71/46/1435507146.db2.gz OJVLSVVFPDBJFK-PZJWPPBQSA-N 0 0 380.492 3.216 20 30 GGEDRN N#Cc1cccc(C2(NC(=O)C(=O)Nc3nc4c(s3)CCCCCC4)CC2)c1 ZINC000279525515 1435509737 /nfs/dbraw/zinc/50/97/37/1435509737.db2.gz YUUJBVKNAQNFIM-UHFFFAOYSA-N 0 0 394.500 3.418 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ncc(C3CCCCC3)s2)n1 ZINC000279528504 1435509892 /nfs/dbraw/zinc/50/98/92/1435509892.db2.gz RXPSKIDPBNXRLP-UHFFFAOYSA-N 0 0 399.520 3.008 20 30 GGEDRN C[C@@H]1OCC[C@@]1(O)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000279564601 1435513651 /nfs/dbraw/zinc/51/36/51/1435513651.db2.gz SHCFNIVRQKNAPZ-YCRPNKLZSA-N 0 0 382.485 3.120 20 30 GGEDRN C[C@H]1OCC[C@]1(O)CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000279576439 1435514969 /nfs/dbraw/zinc/51/49/69/1435514969.db2.gz TZEMOXISIDXRSU-XCLFUZPHSA-N 0 0 386.835 3.274 20 30 GGEDRN C#CCn1ccc(CN(CC)C(=O)NCc2ccc(C)cc2OCC2CC2)n1 ZINC000279586793 1435516481 /nfs/dbraw/zinc/51/64/81/1435516481.db2.gz UYIZIXXBIUQUMM-UHFFFAOYSA-N 0 0 380.492 3.345 20 30 GGEDRN C[C@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC2(CCOCC2)O1 ZINC000279608933 1435518609 /nfs/dbraw/zinc/51/86/09/1435518609.db2.gz RVCVXAZYHKMDGP-LBPRGKRZSA-N 0 0 383.370 3.379 20 30 GGEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000279626053 1435520619 /nfs/dbraw/zinc/52/06/19/1435520619.db2.gz PDUKUUFNPHKFCQ-LJQANCHMSA-N 0 0 394.471 3.398 20 30 GGEDRN C[C@@H]1CN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC2(CCOCC2)O1 ZINC000279639683 1435522567 /nfs/dbraw/zinc/52/25/67/1435522567.db2.gz VRIDROCUABIEKI-OAHLLOKOSA-N 0 0 396.409 3.036 20 30 GGEDRN C#CCn1ccc(CN(CC)Cc2nc(-c3cc(F)c(F)c(F)c3)no2)n1 ZINC000279648772 1435523839 /nfs/dbraw/zinc/52/38/39/1435523839.db2.gz BEPPHLBQWGGVOP-UHFFFAOYSA-N 0 0 375.354 3.006 20 30 GGEDRN CCC[C@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@@H](O)c1ccccc1 ZINC000279653214 1435524027 /nfs/dbraw/zinc/52/40/27/1435524027.db2.gz RCXIPTHJPFZSJJ-HKUYNNGSSA-N 0 0 396.491 3.072 20 30 GGEDRN COCCOc1ccc(C#N)cc1NC(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000279666882 1435526184 /nfs/dbraw/zinc/52/61/84/1435526184.db2.gz GEVVLHQDUSEXST-GOSISDBHSA-N 0 0 382.416 3.003 20 30 GGEDRN Cc1csc([C@@H]2COCCN2C(=O)c2cc(-c3cccc(C#N)c3)no2)n1 ZINC000279676582 1435528040 /nfs/dbraw/zinc/52/80/40/1435528040.db2.gz HBORGUMIWVVETC-INIZCTEOSA-N 0 0 380.429 3.192 20 30 GGEDRN C[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000279676991 1435528176 /nfs/dbraw/zinc/52/81/76/1435528176.db2.gz GGBPYHAZCZMAIR-FOIQADDNSA-N 0 0 386.455 3.466 20 30 GGEDRN C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000279677008 1435528336 /nfs/dbraw/zinc/52/83/36/1435528336.db2.gz GGBPYHAZCZMAIR-YWZLYKJASA-N 0 0 386.455 3.466 20 30 GGEDRN C#CCn1ccc(CN(CC)CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)n1 ZINC000279682921 1435528796 /nfs/dbraw/zinc/52/87/96/1435528796.db2.gz GUKIEKSMLIXUHF-KRWDZBQOSA-N 0 0 378.476 3.304 20 30 GGEDRN C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](CCS(C)(=O)=O)c1ccccc1 ZINC000279689826 1435529972 /nfs/dbraw/zinc/52/99/72/1435529972.db2.gz LQOJJAAIPUPGHQ-NVXWUHKLSA-N 0 0 386.473 3.134 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](CCS(C)(=O)=O)c1ccccc1 ZINC000279689821 1435529992 /nfs/dbraw/zinc/52/99/92/1435529992.db2.gz LQOJJAAIPUPGHQ-DOTOQJQBSA-N 0 0 386.473 3.134 20 30 GGEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1 ZINC000279689832 1435530001 /nfs/dbraw/zinc/53/00/01/1435530001.db2.gz LQOJJAAIPUPGHQ-RDJZCZTQSA-N 0 0 386.473 3.134 20 30 GGEDRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000279694407 1435530779 /nfs/dbraw/zinc/53/07/79/1435530779.db2.gz RCJJDJUKNDUPKK-UHFFFAOYSA-N 0 0 385.489 3.299 20 30 GGEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000279693718 1435530898 /nfs/dbraw/zinc/53/08/98/1435530898.db2.gz VHBHUZZBNMNHFP-WBVHZDCISA-N 0 0 381.407 3.097 20 30 GGEDRN O=C(CCNC(=O)c1ccc(F)cc1)N(CCC(F)(F)F)CC(F)(F)F ZINC000279703496 1435532465 /nfs/dbraw/zinc/53/24/65/1435532465.db2.gz WLSJMAXTMPJYQU-UHFFFAOYSA-N 0 0 388.283 3.289 20 30 GGEDRN N#Cc1cccc(-c2cc(C(=O)NCC3CCN(CC(F)(F)F)CC3)on2)c1 ZINC000279704202 1435532468 /nfs/dbraw/zinc/53/24/68/1435532468.db2.gz JQWCLWPIWWFFNX-UHFFFAOYSA-N 0 0 392.381 3.217 20 30 GGEDRN CCC[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H](O)c1ccccc1 ZINC000279718674 1435534791 /nfs/dbraw/zinc/53/47/91/1435534791.db2.gz XMURUQIYCBUVSS-VQTJNVASSA-N 0 0 393.487 3.445 20 30 GGEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2C[C@@H](C)OC3(CCOCC3)C2)c1 ZINC000279718172 1435534807 /nfs/dbraw/zinc/53/48/07/1435534807.db2.gz IQWNANHXFXTWGS-WOJBJXKFSA-N 0 0 399.535 3.209 20 30 GGEDRN Cc1cccc(CCNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)n1 ZINC000279723760 1435535239 /nfs/dbraw/zinc/53/52/39/1435535239.db2.gz XXTDZSPHKXLMIH-OAHLLOKOSA-N 0 0 382.489 3.082 20 30 GGEDRN Cc1cccc(CCNC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)n1 ZINC000279723757 1435535437 /nfs/dbraw/zinc/53/54/37/1435535437.db2.gz XXTDZSPHKXLMIH-HNNXBMFYSA-N 0 0 382.489 3.082 20 30 GGEDRN C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000279728724 1435535874 /nfs/dbraw/zinc/53/58/74/1435535874.db2.gz 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VMWCIMQURGLSFX-CABCVRRESA-N 0 0 391.393 3.280 20 30 GGEDRN CCO[C@H]1C[C@H](O)C12CCN(c1c(C#N)cnc3c(F)c(F)c(F)cc31)CC2 ZINC000281262823 1435801470 /nfs/dbraw/zinc/80/14/70/1435801470.db2.gz VMWCIMQURGLSFX-GJZGRUSLSA-N 0 0 391.393 3.280 20 30 GGEDRN C[C@@]1(C(N)=O)CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000281266579 1435801512 /nfs/dbraw/zinc/80/15/12/1435801512.db2.gz FXEOLCWVYVRIOL-HXUWFJFHSA-N 0 0 382.395 3.219 20 30 GGEDRN C[C@]1(C(N)=O)CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000281266576 1435801599 /nfs/dbraw/zinc/80/15/99/1435801599.db2.gz FXEOLCWVYVRIOL-FQEVSTJZSA-N 0 0 382.395 3.219 20 30 GGEDRN N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H]4NC(=O)OC[C@H]4C3)cc2)c1 ZINC000281266977 1435801605 /nfs/dbraw/zinc/80/16/05/1435801605.db2.gz FSPIZLTWKHAISM-BEFAXECRSA-N 0 0 392.415 3.313 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)C1=O ZINC000281267915 1435801688 /nfs/dbraw/zinc/80/16/88/1435801688.db2.gz HEDZLBYKDNMETQ-INIZCTEOSA-N 0 0 389.908 3.251 20 30 GGEDRN N#CC1(CCCNc2cccc(S(=O)(=O)N3CCCCC3)c2)CCOCC1 ZINC000281282202 1435802226 /nfs/dbraw/zinc/80/22/26/1435802226.db2.gz SAVISZCDYOBPBJ-UHFFFAOYSA-N 0 0 391.537 3.374 20 30 GGEDRN CNC(=O)[C@]1(C)CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000281307638 1435803188 /nfs/dbraw/zinc/80/31/88/1435803188.db2.gz IERBSVNQEVMGLX-OAQYLSRUSA-N 0 0 396.422 3.480 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000281306845 1435803267 /nfs/dbraw/zinc/80/32/67/1435803267.db2.gz IFQVLTGLXUYEPJ-FCEWJHQRSA-N 0 0 376.522 3.153 20 30 GGEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000281307550 1435803284 /nfs/dbraw/zinc/80/32/84/1435803284.db2.gz IDCQDUZILNTNMJ-QFIPXVFZSA-N 0 0 392.459 3.175 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)C1=O ZINC000281309929 1435803334 /nfs/dbraw/zinc/80/33/34/1435803334.db2.gz ILMCHSSEIGAIRO-SFHVURJKSA-N 0 0 380.448 3.433 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)C1=O ZINC000281309922 1435803372 /nfs/dbraw/zinc/80/33/72/1435803372.db2.gz ILMCHSSEIGAIRO-GOSISDBHSA-N 0 0 380.448 3.433 20 30 GGEDRN CC[C@@H](C)N(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)CC(=O)OC ZINC000281316941 1435803527 /nfs/dbraw/zinc/80/35/27/1435803527.db2.gz KZGNSIWODLSIKU-CABCVRRESA-N 0 0 377.510 3.293 20 30 GGEDRN CC[C@H](C)N(CC(=O)Nc1ccccc1S[C@H](C)CC#N)CC(=O)OC ZINC000281316951 1435803546 /nfs/dbraw/zinc/80/35/46/1435803546.db2.gz KZGNSIWODLSIKU-LSDHHAIUSA-N 0 0 377.510 3.293 20 30 GGEDRN Cc1cccc2oc(CCNC(=O)CCCC(=O)Nc3ccccc3C#N)nc21 ZINC000281316641 1435803591 /nfs/dbraw/zinc/80/35/91/1435803591.db2.gz IXCVNSCSGUEIBL-UHFFFAOYSA-N 0 0 390.443 3.476 20 30 GGEDRN N#CC1(CCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCOCC1 ZINC000281327736 1435804023 /nfs/dbraw/zinc/80/40/23/1435804023.db2.gz LQSPGNKMDGCFOT-UHFFFAOYSA-N 0 0 392.521 3.341 20 30 GGEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000281341147 1435804647 /nfs/dbraw/zinc/80/46/47/1435804647.db2.gz KIUNSQYHKVDYJZ-ZRGWGRIASA-N 0 0 375.494 3.350 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000281343687 1435804718 /nfs/dbraw/zinc/80/47/18/1435804718.db2.gz JXOBGOGNSUUZTG-JXFKEZNVSA-N 0 0 388.533 3.112 20 30 GGEDRN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000281345751 1435804728 /nfs/dbraw/zinc/80/47/28/1435804728.db2.gz DIOMOUOAPDUETN-KRWDZBQOSA-N 0 0 395.507 3.005 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000281347476 1435804896 /nfs/dbraw/zinc/80/48/96/1435804896.db2.gz DJBJOAIIBDODTR-AZUAARDMSA-N 0 0 394.475 3.114 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 ZINC000281350824 1435804919 /nfs/dbraw/zinc/80/49/19/1435804919.db2.gz DPCUYXSTCDGFJE-OXQOHEQNSA-N 0 0 395.459 3.218 20 30 GGEDRN C=CCN1CC[C@H](N(C)Cc2csc(-c3ccc(OC)c(OC)c3)n2)C1=O ZINC000281349909 1435804921 /nfs/dbraw/zinc/80/49/21/1435804921.db2.gz MZZXBXXKJNBEQC-INIZCTEOSA-N 0 0 387.505 3.046 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)OC(CC)(CC)O2 ZINC000281352946 1435805053 /nfs/dbraw/zinc/80/50/53/1435805053.db2.gz DSEUUJVRYLQXJL-KSSFIOAISA-N 0 0 388.464 3.010 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cccc(COCCOCC)c1 ZINC000281355400 1435805235 /nfs/dbraw/zinc/80/52/35/1435805235.db2.gz DUXZXQNILZRLAS-WOJBJXKFSA-N 0 0 376.497 3.020 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cccc(COCCOCC)c1 ZINC000281355398 1435805238 /nfs/dbraw/zinc/80/52/38/1435805238.db2.gz DUXZXQNILZRLAS-VQTJNVASSA-N 0 0 376.497 3.020 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000281357780 1435805358 /nfs/dbraw/zinc/80/53/58/1435805358.db2.gz DZDKFBSYKQGYJG-IFXJQAMLSA-N 0 0 390.455 3.183 20 30 GGEDRN CC[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCCO1 ZINC000281357803 1435805427 /nfs/dbraw/zinc/80/54/27/1435805427.db2.gz LBFGPMISHNRJBQ-QGZVFWFLSA-N 0 0 384.480 3.057 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)c2sc(Cc3ccc(F)cc3)nc2C)C1=O ZINC000281362251 1435805651 /nfs/dbraw/zinc/80/56/51/1435805651.db2.gz MVWFVYXTCNTWPT-INIZCTEOSA-N 0 0 387.480 3.040 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O ZINC000281369001 1435806053 /nfs/dbraw/zinc/80/60/53/1435806053.db2.gz KZPZRMUMRMKOKJ-VFNWGFHPSA-N 0 0 385.460 3.140 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC000281371827 1435806080 /nfs/dbraw/zinc/80/60/80/1435806080.db2.gz LCGLJXPLXQVDJG-PGRDOPGGSA-N 0 0 395.503 3.254 20 30 GGEDRN CSc1cccc(F)c1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000281377000 1435806251 /nfs/dbraw/zinc/80/62/51/1435806251.db2.gz OCBBBPJQGTUCBB-INIZCTEOSA-N 0 0 383.448 3.345 20 30 GGEDRN COc1cccc(C2=CCN(C(=O)C3CCN(c4oc(C)nc4C#N)CC3)C2)c1 ZINC000281378295 1435806328 /nfs/dbraw/zinc/80/63/28/1435806328.db2.gz YHAMLVLHRDGVIM-UHFFFAOYSA-N 0 0 392.459 3.006 20 30 GGEDRN COc1ccc(NCCCC2(C#N)CCOCC2)cc1-n1nnnc1C1CC1 ZINC000281384962 1435806602 /nfs/dbraw/zinc/80/66/02/1435806602.db2.gz ZEPGDKAOTRIVRU-UHFFFAOYSA-N 0 0 382.468 3.061 20 30 GGEDRN C=CCN1CC[C@H](N(C)Cc2csc(COc3ccc(F)cc3)n2)C1=O ZINC000281392943 1435806936 /nfs/dbraw/zinc/80/69/36/1435806936.db2.gz PWFRFFTZHIYDAI-KRWDZBQOSA-N 0 0 375.469 3.080 20 30 GGEDRN CC(C)(C#N)c1ccc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)cc1 ZINC000281395709 1435807078 /nfs/dbraw/zinc/80/70/78/1435807078.db2.gz ZEYICXKMKCINAM-HXUWFJFHSA-N 0 0 391.471 3.337 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)C1=O ZINC000281397444 1435807248 /nfs/dbraw/zinc/80/72/48/1435807248.db2.gz ORLCJQORLPYKGE-OAHLLOKOSA-N 0 0 391.443 3.256 20 30 GGEDRN C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc(COCCOCCCC)c1 ZINC000281399592 1435807349 /nfs/dbraw/zinc/80/73/49/1435807349.db2.gz ITQZEUOTBSCGAQ-SFHVURJKSA-N 0 0 376.497 3.429 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(OC(F)F)c3ncccc23)C1=O ZINC000281406541 1435807627 /nfs/dbraw/zinc/80/76/27/1435807627.db2.gz PKERVPLQYLEXRP-AWEZNQCLSA-N 0 0 390.390 3.087 20 30 GGEDRN C=CCN1CC[C@@H](N(C)Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1=O ZINC000281434913 1435808725 /nfs/dbraw/zinc/80/87/25/1435808725.db2.gz STDLCSUEGGTZIH-MRXNPFEDSA-N 0 0 394.500 3.283 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000281435526 1435808789 /nfs/dbraw/zinc/80/87/89/1435808789.db2.gz NWTOIIVNRGUSER-KUHUBIRLSA-N 0 0 386.473 3.179 20 30 GGEDRN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000281441304 1435808980 /nfs/dbraw/zinc/80/89/80/1435808980.db2.gz FYAJEROSNVYFRC-XLNTUCKNSA-N 0 0 397.519 3.214 20 30 GGEDRN C[C@@H](c1ccsc1)N1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000281440171 1435809024 /nfs/dbraw/zinc/80/90/24/1435809024.db2.gz SBLSMOPDCYWVFU-INIZCTEOSA-N 0 0 391.500 3.324 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000281442824 1435809094 /nfs/dbraw/zinc/80/90/94/1435809094.db2.gz ODTBQFYIVAROIG-OLMNPRSZSA-N 0 0 378.900 3.192 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CSc1nccn1-c1ccc(OC)cc1 ZINC000281449839 1435809372 /nfs/dbraw/zinc/80/93/72/1435809372.db2.gz OOLRXHDLDMRLSM-BEFAXECRSA-N 0 0 387.505 3.070 20 30 GGEDRN CO[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)[C@@H](C)C1 ZINC000281451483 1435809458 /nfs/dbraw/zinc/80/94/58/1435809458.db2.gz AHKZHXYBXDTTOX-JXFKEZNVSA-N 0 0 394.519 3.463 20 30 GGEDRN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(OC)c1 ZINC000281451609 1435809500 /nfs/dbraw/zinc/80/95/00/1435809500.db2.gz NCHMDZZTCOBBQH-ZDUSSCGKSA-N 0 0 391.468 3.452 20 30 GGEDRN CO[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)[C@@H](C)C1 ZINC000281451488 1435809523 /nfs/dbraw/zinc/80/95/23/1435809523.db2.gz AHKZHXYBXDTTOX-OXJNMPFZSA-N 0 0 394.519 3.463 20 30 GGEDRN CS(=O)(=O)C1(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCC1 ZINC000281463944 1435809989 /nfs/dbraw/zinc/80/99/89/1435809989.db2.gz RTNJPWBMXJFAIB-UHFFFAOYSA-N 0 0 399.472 3.439 20 30 GGEDRN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000281470397 1435810280 /nfs/dbraw/zinc/81/02/80/1435810280.db2.gz OKGHSVDQZZCJEJ-ZDUSSCGKSA-N 0 0 378.835 3.133 20 30 GGEDRN C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000281474306 1435810348 /nfs/dbraw/zinc/81/03/48/1435810348.db2.gz OQFFSVQFMRVUDA-SECBINFHSA-N 0 0 378.322 3.299 20 30 GGEDRN CC(C)(C)OC(=O)NC[C@H](NC(=O)Cc1ccc(OCC#N)cc1)C(C)(C)C ZINC000281472150 1435810361 /nfs/dbraw/zinc/81/03/61/1435810361.db2.gz GUDFTUJPUDRAEJ-KRWDZBQOSA-N 0 0 389.496 3.187 20 30 GGEDRN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000281474309 1435810379 /nfs/dbraw/zinc/81/03/79/1435810379.db2.gz OQFFSVQFMRVUDA-VIFPVBQESA-N 0 0 378.322 3.299 20 30 GGEDRN N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H](CO)[C@H]3CCOC3)c2)cc1 ZINC000281476995 1435810455 /nfs/dbraw/zinc/81/04/55/1435810455.db2.gz SNOSRPFMLPOWFG-IRXDYDNUSA-N 0 0 381.432 3.117 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CSc1nccn1-c1cccc(OC)c1 ZINC000281477180 1435810496 /nfs/dbraw/zinc/81/04/96/1435810496.db2.gz PPFSBJGQYDQCET-KXBFYZLASA-N 0 0 387.505 3.070 20 30 GGEDRN C=CC[C@H](CC)NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 ZINC000281480365 1435810624 /nfs/dbraw/zinc/81/06/24/1435810624.db2.gz PDVLAIOEFLNQET-HNNXBMFYSA-N 0 0 391.899 3.376 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000281480732 1435810644 /nfs/dbraw/zinc/81/06/44/1435810644.db2.gz HYXLDTUFKYHMHQ-YLJYHZDGSA-N 0 0 376.472 3.498 20 30 GGEDRN CSc1ccc([C@@H](C)NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 ZINC000281481500 1435810742 /nfs/dbraw/zinc/81/07/42/1435810742.db2.gz IZHUVBMOSGMEOI-GFCCVEGCSA-N 0 0 385.493 3.048 20 30 GGEDRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000281485367 1435810846 /nfs/dbraw/zinc/81/08/46/1435810846.db2.gz UYRMKFVVMFWTPW-KRWDZBQOSA-N 0 0 385.370 3.007 20 30 GGEDRN CCn1ccnc1[C@H]1CCCCN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000281499813 1435811401 /nfs/dbraw/zinc/81/14/01/1435811401.db2.gz FLTKQCDACFCCBH-GOSISDBHSA-N 0 0 396.495 3.041 20 30 GGEDRN C=CC[C@H](CC)NC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000281501683 1435811528 /nfs/dbraw/zinc/81/15/28/1435811528.db2.gz QQZSVUINQRGKLB-GJZGRUSLSA-N 0 0 380.872 3.307 20 30 GGEDRN CC(C)N1CCc2nc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)sc2C1 ZINC000281513149 1435811766 /nfs/dbraw/zinc/81/17/66/1435811766.db2.gz XLTSCCWCWANMDH-UHFFFAOYSA-N 0 0 392.488 3.219 20 30 GGEDRN C=CC[C@H](CC)NC(=O)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl ZINC000281515181 1435811881 /nfs/dbraw/zinc/81/18/81/1435811881.db2.gz RWYRPBIFUXXNJP-AWEZNQCLSA-N 0 0 379.888 3.230 20 30 GGEDRN Cc1ccnc(OC2CCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)CC2)c1 ZINC000281513232 1435811922 /nfs/dbraw/zinc/81/19/22/1435811922.db2.gz XMIIEUFKONTGND-UHFFFAOYSA-N 0 0 387.443 3.131 20 30 GGEDRN C[S@](=O)C1(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)CCC1 ZINC000281521834 1435812146 /nfs/dbraw/zinc/81/21/46/1435812146.db2.gz KVQJNYIWMXWLMX-MHZLTWQESA-N 0 0 382.485 3.168 20 30 GGEDRN C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(OC)c(OCc2cccnc2)c1 ZINC000281540754 1435812827 /nfs/dbraw/zinc/81/28/27/1435812827.db2.gz UTZOCXZUUGKIEB-MRXNPFEDSA-N 0 0 383.448 3.079 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(C)cc2OCC(F)(F)F)C1=O ZINC000281546423 1435813051 /nfs/dbraw/zinc/81/30/51/1435813051.db2.gz ZVLWKWRCAIGXGC-CQSZACIVSA-N 0 0 385.386 3.187 20 30 GGEDRN N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H](CO)[C@@H]3CCOC3)cc2)c1 ZINC000281557260 1435813448 /nfs/dbraw/zinc/81/34/48/1435813448.db2.gz YAVIOWZWXFCUPV-SJORKVTESA-N 0 0 381.432 3.117 20 30 GGEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3nc4c(cccc4Cl)n3C)CC2)o1 ZINC000281560369 1435813578 /nfs/dbraw/zinc/81/35/78/1435813578.db2.gz LARDRQJJOHQNGI-UHFFFAOYSA-N 0 0 398.854 3.250 20 30 GGEDRN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC000281568620 1435813915 /nfs/dbraw/zinc/81/39/15/1435813915.db2.gz XARIMQYTILZXIY-SFHVURJKSA-N 0 0 385.508 3.277 20 30 GGEDRN CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C#N ZINC000281571091 1435813927 /nfs/dbraw/zinc/81/39/27/1435813927.db2.gz YZWNPQPBIGBUHR-GFCCVEGCSA-N 0 0 398.419 3.291 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCC(=O)CCC(=O)c1ccc(C)s1 ZINC000281569293 1435813942 /nfs/dbraw/zinc/81/39/42/1435813942.db2.gz UIZKNXWBRYGBIT-MGPUTAFESA-N 0 0 377.506 3.466 20 30 GGEDRN C#C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)C(C)C ZINC000281578397 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C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000281825789 1435823358 /nfs/dbraw/zinc/82/33/58/1435823358.db2.gz PIYJKKGOKZXOMJ-PXNSSMCTSA-N 0 0 394.475 3.114 20 30 GGEDRN Cc1ncc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C2CC2)n1 ZINC000281828208 1435823469 /nfs/dbraw/zinc/82/34/69/1435823469.db2.gz KKKXPTCEWYVAFM-UHFFFAOYSA-N 0 0 389.459 3.025 20 30 GGEDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000281831029 1435823555 /nfs/dbraw/zinc/82/35/55/1435823555.db2.gz VMMSIWRUVGRSQU-DZGCQCFKSA-N 0 0 392.550 3.448 20 30 GGEDRN Cc1oc(C#N)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccncc1 ZINC000281835501 1435823705 /nfs/dbraw/zinc/82/37/05/1435823705.db2.gz AGWIOKSCTQYUMG-SFHVURJKSA-N 0 0 396.447 3.289 20 30 GGEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000281837965 1435823791 /nfs/dbraw/zinc/82/37/91/1435823791.db2.gz QQCRFLVVBCYECY-QFBILLFUSA-N 0 0 389.471 3.167 20 30 GGEDRN Cc1cc(Cl)nc(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1 ZINC000281840057 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3.184 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000281900421 1435826122 /nfs/dbraw/zinc/82/61/22/1435826122.db2.gz XECJPAJYYGNRHA-QOKNQOGYSA-N 0 0 386.496 3.312 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)C1=O ZINC000281905789 1435826355 /nfs/dbraw/zinc/82/63/55/1435826355.db2.gz ILRAPVPGCRRPEN-SFHVURJKSA-N 0 0 381.480 3.246 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000281915741 1435826647 /nfs/dbraw/zinc/82/66/47/1435826647.db2.gz YPIRTBMGKVTJDU-RHSMWYFYSA-N 0 0 384.423 3.419 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000281926906 1435827175 /nfs/dbraw/zinc/82/71/75/1435827175.db2.gz ZLJFEHROSJHDID-BPUTZDHNSA-N 0 0 393.509 3.148 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)C1=O ZINC000281928625 1435827288 /nfs/dbraw/zinc/82/72/88/1435827288.db2.gz KKXMKYGZPICKFR-SFHVURJKSA-N 0 0 381.480 3.048 20 30 GGEDRN N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCCc3occc32)ccc1OC(F)(F)F ZINC000281934740 1435827505 /nfs/dbraw/zinc/82/75/05/1435827505.db2.gz KFLVRUPYTUIXPO-CYBMUJFWSA-N 0 0 393.321 3.182 20 30 GGEDRN CSCC(C)(C)C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC000281935605 1435827518 /nfs/dbraw/zinc/82/75/18/1435827518.db2.gz DOYWJRJWEUSJKQ-UHFFFAOYSA-N 0 0 385.537 3.073 20 30 GGEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000281947257 1435827980 /nfs/dbraw/zinc/82/79/80/1435827980.db2.gz XROQVDFRRULOON-VQIMIIECSA-N 0 0 376.472 3.154 20 30 GGEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)C(C)(C)Cc2nc3ccccc3[nH]2)c1 ZINC000281948236 1435828184 /nfs/dbraw/zinc/82/81/84/1435828184.db2.gz SBAVSUOHGKBHNJ-UHFFFAOYSA-N 0 0 388.471 3.210 20 30 GGEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000281968703 1435828915 /nfs/dbraw/zinc/82/89/15/1435828915.db2.gz ZCKAJQSFBWVZEJ-UZLBHIALSA-N 0 0 395.459 3.218 20 30 GGEDRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)N(CCC#N)Cc1ccco1 ZINC000281972412 1435829147 /nfs/dbraw/zinc/82/91/47/1435829147.db2.gz OAWCYERWCUPJGJ-IBGZPJMESA-N 0 0 396.447 3.145 20 30 GGEDRN N#CC1(CCC[S@@](=O)Cc2nc(-c3ccccc3F)no2)CCOCC1 ZINC000281978259 1435829424 /nfs/dbraw/zinc/82/94/24/1435829424.db2.gz VRGAODVSZILXQI-AREMUKBSSA-N 0 0 377.441 3.225 20 30 GGEDRN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)NCc2ccc(C#N)cc2)C1 ZINC000281985509 1435829678 /nfs/dbraw/zinc/82/96/78/1435829678.db2.gz WNCNTVFEBBXDHI-SFHVURJKSA-N 0 0 386.496 3.395 20 30 GGEDRN N#CC1(CCC[S@](=O)Cc2nc(-c3ccc(F)cc3)no2)CCOCC1 ZINC000281994181 1435830106 /nfs/dbraw/zinc/83/01/06/1435830106.db2.gz WSSOLDZIRBOOOH-SANMLTNESA-N 0 0 377.441 3.225 20 30 GGEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000282002670 1435830536 /nfs/dbraw/zinc/83/05/36/1435830536.db2.gz CBWISKJVPCLXIJ-AWEZNQCLSA-N 0 0 379.407 3.226 20 30 GGEDRN C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(Cl)ccc2O[C@H](C)COC)C1=O ZINC000282005242 1435830725 /nfs/dbraw/zinc/83/07/25/1435830725.db2.gz QRWGITFJFKMZJY-CZUORRHYSA-N 0 0 395.887 3.004 20 30 GGEDRN C=CCN1CC[C@H](N(C)C(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)C1=O ZINC000282005235 1435830726 /nfs/dbraw/zinc/83/07/26/1435830726.db2.gz QRWGITFJFKMZJY-BBRMVZONSA-N 0 0 395.887 3.004 20 30 GGEDRN CO[C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000282011800 1435830925 /nfs/dbraw/zinc/83/09/25/1435830925.db2.gz NXTQXQPKZCBQJZ-KXBFYZLASA-N 0 0 393.443 3.315 20 30 GGEDRN CCCCc1cc(NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)n[nH]1 ZINC000282030813 1435831785 /nfs/dbraw/zinc/83/17/85/1435831785.db2.gz OYKAEWQGUXFYTG-UHFFFAOYSA-N 0 0 395.341 3.100 20 30 GGEDRN N#CC1(CCCSCc2ccc(S(=O)(=O)N3CCCC3)o2)CCOCC1 ZINC000282036770 1435831879 /nfs/dbraw/zinc/83/18/79/1435831879.db2.gz YODCGJCVSUDZCQ-UHFFFAOYSA-N 0 0 398.550 3.398 20 30 GGEDRN CO[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)[C@H](C)C1 ZINC000282048930 1435832608 /nfs/dbraw/zinc/83/26/08/1435832608.db2.gz AYYBNYJNACAWNN-PBHICJAKSA-N 0 0 384.480 3.056 20 30 GGEDRN CCOC(=O)[C@@]1(COC)CCCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000282049445 1435832632 /nfs/dbraw/zinc/83/26/32/1435832632.db2.gz VFWOMOSKEQAPIR-SFHVURJKSA-N 0 0 379.844 3.035 20 30 GGEDRN Cc1cnc(C2CCN(C(=O)C3CCN(c4oc(C)nc4C#N)CC3)CC2)s1 ZINC000282053260 1435832700 /nfs/dbraw/zinc/83/27/00/1435832700.db2.gz ZBPAMRDPKGQXPR-UHFFFAOYSA-N 0 0 399.520 3.242 20 30 GGEDRN C#CC[C@@H](NC(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C)c1ccccc1 ZINC000282065582 1435833206 /nfs/dbraw/zinc/83/32/06/1435833206.db2.gz WITOAWRIBRFFKN-RTWAWAEBSA-N 0 0 391.471 3.491 20 30 GGEDRN Cc1cc(NC(=O)N2CCC(N3CCc4ccccc43)CC2)nn1CCC#N ZINC000282070501 1435833467 /nfs/dbraw/zinc/83/34/67/1435833467.db2.gz MZWTULXNVQJZEP-UHFFFAOYSA-N 0 0 378.480 3.164 20 30 GGEDRN Cc1nc(C)c(CCC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c(=O)[nH]1 ZINC000282095945 1435834376 /nfs/dbraw/zinc/83/43/76/1435834376.db2.gz MIERAIZCTDGXDJ-UHFFFAOYSA-N 0 0 380.326 3.141 20 30 GGEDRN N#CCCN(C(=O)CCC(=O)N[C@@H]1CCCC12CCOCC2)c1ccccc1 ZINC000282114308 1435835173 /nfs/dbraw/zinc/83/51/73/1435835173.db2.gz UHGPDXYENONJTI-LJQANCHMSA-N 0 0 383.492 3.179 20 30 GGEDRN C=CCn1c(C)nnc1N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000282124083 1435835610 /nfs/dbraw/zinc/83/56/10/1435835610.db2.gz ACLASCCIUDLLAQ-UHFFFAOYSA-N 0 0 377.851 3.420 20 30 GGEDRN CC(C)C(=O)N1CCC(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000282131237 1435835811 /nfs/dbraw/zinc/83/58/11/1435835811.db2.gz OHGKNKLIIYVENE-UHFFFAOYSA-N 0 0 383.370 3.290 20 30 GGEDRN C=CCn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000282133885 1435835929 /nfs/dbraw/zinc/83/59/29/1435835929.db2.gz AXCPUFCYGONAIT-BTYIYWSLSA-N 0 0 380.448 3.262 20 30 GGEDRN C=CCn1c(C2CC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000282141662 1435836188 /nfs/dbraw/zinc/83/61/88/1435836188.db2.gz BKIRIXJYCDGFLK-OAHLLOKOSA-N 0 0 375.517 3.425 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC000282143801 1435836264 /nfs/dbraw/zinc/83/62/64/1435836264.db2.gz BQDXWRXWGXLVMO-DZGCQCFKSA-N 0 0 392.887 3.033 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC000282150203 1435836488 /nfs/dbraw/zinc/83/64/88/1435836488.db2.gz CCLPGGTUZAFCGZ-AWEZNQCLSA-N 0 0 385.859 3.255 20 30 GGEDRN C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC000282149983 1435836541 /nfs/dbraw/zinc/83/65/41/1435836541.db2.gz CBDHOUHQUIZKMV-UHFFFAOYSA-N 0 0 388.537 3.097 20 30 GGEDRN C=CCn1c(-c2cccn2C)nnc1N(C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000282149941 1435836545 /nfs/dbraw/zinc/83/65/45/1435836545.db2.gz CBBHCGUTEKAGMN-HNNXBMFYSA-N 0 0 399.499 3.223 20 30 GGEDRN C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC000282149969 1435836572 /nfs/dbraw/zinc/83/65/72/1435836572.db2.gz CBCUTPYYXMMKJX-UHFFFAOYSA-N 0 0 387.915 3.479 20 30 GGEDRN C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC1CCCC1 ZINC000282155603 1435836615 /nfs/dbraw/zinc/83/66/15/1435836615.db2.gz CMTCDLSSZZFCKJ-UHFFFAOYSA-N 0 0 381.528 3.265 20 30 GGEDRN C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC000282153714 1435836616 /nfs/dbraw/zinc/83/66/16/1435836616.db2.gz CKCRNWUJHLVETA-MRXNPFEDSA-N 0 0 382.443 3.269 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCSC2(CCOCC2)C1 ZINC000282155552 1435836626 /nfs/dbraw/zinc/83/66/26/1435836626.db2.gz CLSBNLMSYVOPQM-UHFFFAOYSA-N 0 0 391.928 3.282 20 30 GGEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CCN(c2nccs2)CC1 ZINC000282152992 1435836631 /nfs/dbraw/zinc/83/66/31/1435836631.db2.gz HVMGVSBKYCZIPD-UHFFFAOYSA-N 0 0 381.505 3.381 20 30 GGEDRN C=CCn1c(-c2ccccn2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000282157529 1435836768 /nfs/dbraw/zinc/83/67/68/1435836768.db2.gz CPMHHJQJKAYGFZ-GOSISDBHSA-N 0 0 383.496 3.081 20 30 GGEDRN CO[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@H](C)C1 ZINC000282163981 1435836857 /nfs/dbraw/zinc/83/68/57/1435836857.db2.gz WSVMZXLIMGNQPB-FOIQADDNSA-N 0 0 393.443 3.315 20 30 GGEDRN C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC)CC1 ZINC000282163122 1435836902 /nfs/dbraw/zinc/83/69/02/1435836902.db2.gz DATRZJXCPCFTFJ-UHFFFAOYSA-N 0 0 381.528 3.265 20 30 GGEDRN C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC(C(=O)NCCC)CC1 ZINC000282170219 1435837096 /nfs/dbraw/zinc/83/70/96/1435837096.db2.gz DOJMCTOHNTWYSH-UHFFFAOYSA-N 0 0 397.523 3.094 20 30 GGEDRN COc1cc(CNc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)ccc1C#N ZINC000282171219 1435837222 /nfs/dbraw/zinc/83/72/22/1435837222.db2.gz FAGMVHKJMDIIKC-HOTGVXAUSA-N 0 0 379.460 3.428 20 30 GGEDRN COc1cc(CNc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1C#N ZINC000282171237 1435837281 /nfs/dbraw/zinc/83/72/81/1435837281.db2.gz FAGMVHKJMDIIKC-IYBDPMFKSA-N 0 0 379.460 3.428 20 30 GGEDRN C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)CCC(=O)NC ZINC000282174169 1435837377 /nfs/dbraw/zinc/83/73/77/1435837377.db2.gz DYXUSFOWCAEMMD-MRXNPFEDSA-N 0 0 393.491 3.330 20 30 GGEDRN C=CCn1c(-c2c[nH]c3ccccc32)nnc1N1CCC(C(=O)OCC)CC1 ZINC000282177709 1435837517 /nfs/dbraw/zinc/83/75/17/1435837517.db2.gz FEUHDTISPBFRQL-UHFFFAOYSA-N 0 0 379.464 3.392 20 30 GGEDRN C=CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 ZINC000282181486 1435837575 /nfs/dbraw/zinc/83/75/75/1435837575.db2.gz FMVLDHYPVJBPRK-FUHWJXTLSA-N 0 0 382.512 3.047 20 30 GGEDRN C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2cccc(OC)c2)CC1 ZINC000282185095 1435837677 /nfs/dbraw/zinc/83/76/77/1435837677.db2.gz FUXQKTFDJYMONX-UHFFFAOYSA-N 0 0 395.507 3.093 20 30 GGEDRN C=CCn1c(COc2ccccc2F)nnc1N1CCC(c2nc(C)no2)CC1 ZINC000282190537 1435837856 /nfs/dbraw/zinc/83/78/56/1435837856.db2.gz GDKMCGPPCGPSGM-UHFFFAOYSA-N 0 0 398.442 3.258 20 30 GGEDRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C(N)=O)CC1 ZINC000282189096 1435837865 /nfs/dbraw/zinc/83/78/65/1435837865.db2.gz GDHFZAXBQRZNSK-UHFFFAOYSA-N 0 0 397.523 3.177 20 30 GGEDRN C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000282191000 1435837898 /nfs/dbraw/zinc/83/78/98/1435837898.db2.gz GGOTYVVXBSJKNO-KRWDZBQOSA-N 0 0 383.496 3.393 20 30 GGEDRN C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000282191004 1435837954 /nfs/dbraw/zinc/83/79/54/1435837954.db2.gz GGOTYVVXBSJKNO-QGZVFWFLSA-N 0 0 383.496 3.393 20 30 GGEDRN C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C(=O)NC)CC1 ZINC000282200059 1435838210 /nfs/dbraw/zinc/83/82/10/1435838210.db2.gz GXOHCQZPDIKGHB-KRWDZBQOSA-N 0 0 397.523 3.183 20 30 GGEDRN C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000282205878 1435838407 /nfs/dbraw/zinc/83/84/07/1435838407.db2.gz HLFKHCIXTCQBQJ-AVRDEDQJSA-N 0 0 398.507 3.044 20 30 GGEDRN Cc1oc(C#N)cc1C(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000282211499 1435838577 /nfs/dbraw/zinc/83/85/77/1435838577.db2.gz ALSANMAMXPLZMC-UHFFFAOYSA-N 0 0 387.335 3.239 20 30 GGEDRN C=CCn1c([C@H](C)OCCOC)nnc1N1CCC(Oc2ccccc2)CC1 ZINC000282213384 1435838682 /nfs/dbraw/zinc/83/86/82/1435838682.db2.gz IBIJWYUOXOCGBN-KRWDZBQOSA-N 0 0 386.496 3.236 20 30 GGEDRN N#Cc1cc(S(=O)(=O)N2CCC([C@H]3CCCO3)CC2)ccc1C(F)(F)F ZINC000282234723 1435839535 /nfs/dbraw/zinc/83/95/35/1435839535.db2.gz IBJWCEMKEOCDIR-MRXNPFEDSA-N 0 0 388.411 3.157 20 30 GGEDRN C#C[C@H](NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)C(C)C ZINC000282241213 1435839753 /nfs/dbraw/zinc/83/97/53/1435839753.db2.gz VJUMDHGHUQZNTO-ZDUSSCGKSA-N 0 0 389.546 3.283 20 30 GGEDRN C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC000282245352 1435839830 /nfs/dbraw/zinc/83/98/30/1435839830.db2.gz KIECDBWHZBMJPY-MSOLQXFVSA-N 0 0 397.523 3.313 20 30 GGEDRN CN(Cc1cccc(C#N)c1)C(=O)NCc1ccncc1OCC(F)(F)F ZINC000282250144 1435840067 /nfs/dbraw/zinc/84/00/67/1435840067.db2.gz OLAQYPDPXDOJCN-UHFFFAOYSA-N 0 0 378.354 3.236 20 30 GGEDRN C=CCn1c(CC2CC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000282256429 1435840289 /nfs/dbraw/zinc/84/02/89/1435840289.db2.gz LEQYQHFUMCBMKI-GDBMZVCRSA-N 0 0 375.517 3.156 20 30 GGEDRN C=CCn1c(CC2CC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000282256442 1435840384 /nfs/dbraw/zinc/84/03/84/1435840384.db2.gz LEQYQHFUMCBMKI-HOCLYGCPSA-N 0 0 375.517 3.156 20 30 GGEDRN C=CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(OC(C)C)c1 ZINC000282260922 1435840590 /nfs/dbraw/zinc/84/05/90/1435840590.db2.gz LMONWSGQGVIIFU-UHFFFAOYSA-N 0 0 383.496 3.124 20 30 GGEDRN C=CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1c(F)cccc1Cl ZINC000282263601 1435840681 /nfs/dbraw/zinc/84/06/81/1435840681.db2.gz LSTMJFBQHMWSSC-UHFFFAOYSA-N 0 0 377.851 3.129 20 30 GGEDRN C=CCn1c([C@H](C)OCCOC)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC000282268061 1435840933 /nfs/dbraw/zinc/84/09/33/1435840933.db2.gz LZTBECXGLKICME-LBPRGKRZSA-N 0 0 384.402 3.242 20 30 GGEDRN C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC000282274259 1435841202 /nfs/dbraw/zinc/84/12/02/1435841202.db2.gz MKZBTANKHHKAKW-LJQANCHMSA-N 0 0 397.523 3.012 20 30 GGEDRN CC(C)(C#N)c1ccc(NC(=O)NCCS(=O)(=O)CCc2ccccc2)cc1 ZINC000282273723 1435841250 /nfs/dbraw/zinc/84/12/50/1435841250.db2.gz DKZLDFQCJWSTBR-UHFFFAOYSA-N 0 0 399.516 3.267 20 30 GGEDRN C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC000282278411 1435841344 /nfs/dbraw/zinc/84/13/44/1435841344.db2.gz MTCVJFSYBOWWOP-ROUUACIJSA-N 0 0 397.523 3.183 20 30 GGEDRN N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NC[C@H]2CCCC(F)(F)C2)c1 ZINC000282280112 1435841406 /nfs/dbraw/zinc/84/14/06/1435841406.db2.gz YWXXHLDUKFKBRF-NSHDSACASA-N 0 0 387.333 3.040 20 30 GGEDRN C=CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](c2ccccc2OC)C1 ZINC000282280000 1435841462 /nfs/dbraw/zinc/84/14/62/1435841462.db2.gz MUYWBUHAYKSTKD-SFHVURJKSA-N 0 0 392.507 3.328 20 30 GGEDRN C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 ZINC000282278567 1435841474 /nfs/dbraw/zinc/84/14/74/1435841474.db2.gz MUGOJDKAFFPQSA-QGZVFWFLSA-N 0 0 397.479 3.047 20 30 GGEDRN C=CCn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000282282116 1435841616 /nfs/dbraw/zinc/84/16/16/1435841616.db2.gz NAWRZSTZHXTAAD-AEFFLSMTSA-N 0 0 386.496 3.191 20 30 GGEDRN N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC(F)(F)C2)cc1C(F)(F)F ZINC000282287225 1435841659 /nfs/dbraw/zinc/84/16/59/1435841659.db2.gz ZJQASTKSTJKQDP-JTQLQIEISA-N 0 0 389.324 3.457 20 30 GGEDRN C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncccc2F)CC1 ZINC000282288187 1435841833 /nfs/dbraw/zinc/84/18/33/1435841833.db2.gz NNRWJVJKUGKYNS-UHFFFAOYSA-N 0 0 399.861 3.040 20 30 GGEDRN C=CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC000282290115 1435841834 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C=CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC000282555797 1435851418 /nfs/dbraw/zinc/85/14/18/1435851418.db2.gz JHKKQPBBCVMRMP-UHFFFAOYSA-N 0 0 393.413 3.355 20 30 GGEDRN COc1ccc(C2=NO[C@@H](CNC(=O)N[C@@H](C)c3ccc(C#N)cc3)C2)cc1F ZINC000282562713 1435851653 /nfs/dbraw/zinc/85/16/53/1435851653.db2.gz VIIXZFOLELADQN-SUMWQHHRSA-N 0 0 396.422 3.259 20 30 GGEDRN CON(CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)CC1CCOCC1 ZINC000282572255 1435852013 /nfs/dbraw/zinc/85/20/13/1435852013.db2.gz WGCJVAXCBKQLGV-UHFFFAOYSA-N 0 0 379.888 3.185 20 30 GGEDRN CC[C@@H](C)c1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1CC ZINC000282571161 1435852083 /nfs/dbraw/zinc/85/20/83/1435852083.db2.gz AIONYDSEOZPISR-CQSZACIVSA-N 0 0 395.467 3.258 20 30 GGEDRN C=CCn1c(CC(C)C)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000282579071 1435852434 /nfs/dbraw/zinc/85/24/34/1435852434.db2.gz LBYAIJZHJWMKDT-UHFFFAOYSA-N 0 0 399.514 3.335 20 30 GGEDRN COc1ccc([C@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3C)C2)cc1 ZINC000282591324 1435852902 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384.524 3.495 20 30 GGEDRN C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(c2ccnn2CC)CC1 ZINC000282659207 1435855476 /nfs/dbraw/zinc/85/54/76/1435855476.db2.gz RBAZCLLNRWPFAP-UHFFFAOYSA-N 0 0 377.496 3.435 20 30 GGEDRN C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC2(CC2)C1 ZINC000282659202 1435855527 /nfs/dbraw/zinc/85/55/27/1435855527.db2.gz RAYMHTFGJXVDCM-UHFFFAOYSA-N 0 0 379.512 3.019 20 30 GGEDRN CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000282673759 1435856028 /nfs/dbraw/zinc/85/60/28/1435856028.db2.gz CNOCNBOTQJQKKF-HHHXNRCGSA-N 0 0 379.489 3.210 20 30 GGEDRN COc1ccc(C2=NO[C@H](CNC(=O)Nc3ccccc3O[C@H](C)C#N)C2)cc1 ZINC000282684595 1435856356 /nfs/dbraw/zinc/85/63/56/1435856356.db2.gz QQWVTTJTTLLFKG-PBHICJAKSA-N 0 0 394.431 3.301 20 30 GGEDRN COC(=O)c1c(F)cc(NC(=O)CCOCC(F)(F)C(F)(F)F)cc1F ZINC000282697084 1435856785 /nfs/dbraw/zinc/85/67/85/1435856785.db2.gz IZKWUCQQTHVZDO-UHFFFAOYSA-N 0 0 391.239 3.294 20 30 GGEDRN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000282707340 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